++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:33:24 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.ins Phases from ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.phi Native data from ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.hkl Listing output to ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.lst Phases output to ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.phs Poly-Ala trace output to ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 64 2 2 Allowed origin shift code: 10 35104 Reflections read from file ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.phi 35104 Reflections read from file ./2avn-2.5-parrot-mrncs/2avn-2.5-parrot-mrncs.hkl 35104 Unique data, highest resolution = 2.500 Angstroms Anisotropic scaling: intensities multiplied by 0.000067h^2 +0.000067k^2 -0.000034l^2 +0.000000kl +0.000000hl +0.000067hk 47 Reflections with d > 2.700 and 0 in range 2.700 > d > 2.500 added Density sharpening factor set to 0.00 Fourier grid = 256 x 256 x 39 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.758 = 0.300, Contrast = 0.372, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.477, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.743, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.881, Connect. = 0.777 for dens.mod. cycle 4 = 0.300, Contrast = 0.962, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 1.005, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 1.029, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 1.041, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 1.045, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 1.046, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2222 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 536 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 18.236 1.967 0.873 0.486 0.923 0.615 CB 1.509 B: 13 21.011 1.965 0.842 0.807 1.000 0.500 CB 1.282 C: 12 28.980 2.081 1.239 0.914 0.909 0.818 CB 1.459 D: 30 18.147 1.895 0.871 0.399 0.793 0.517 CB 1.333 14 residues pruned to eliminate duplicates E: 21 30.676 1.931 0.820 0.831 1.000 0.900 CB 1.466 F: 13 28.049 2.009 1.089 0.827 1.000 0.583 CB 1.454 12 residues pruned to eliminate duplicates G: 12 25.562 1.826 0.917 0.840 1.000 0.727 O 1.644 H: 16 21.366 1.809 0.584 0.930 1.000 1.000 CB 1.346 I: 10 19.608 2.081 0.990 0.806 0.778 0.667 CB 1.553 J: 12 22.422 1.846 0.883 0.872 0.909 0.818 CA 1.560 K: 15 27.774 2.078 1.015 0.852 0.929 0.786 CB 1.412 L: 15 21.901 1.922 0.552 0.898 0.929 0.643 CB 1.511 16 residues pruned to eliminate duplicates M: 13 31.880 2.180 1.117 0.851 0.917 0.667 CB 1.610 13 residues pruned to eliminate duplicates N: 11 16.484 1.930 0.511 0.836 1.000 0.900 CB 1.338 11 residues pruned to eliminate duplicates O: 23 32.559 1.992 1.008 0.793 0.909 0.818 CB 1.476 15 residues pruned to eliminate duplicates P: 11 32.096 2.170 1.021 0.762 1.000 0.700 CB 1.834 10 residues pruned to eliminate duplicates Q: 11 26.309 2.175 0.825 0.757 0.900 0.800 CA 1.852 11 residues pruned to eliminate duplicates R: 31 25.764 1.938 0.705 0.621 0.967 0.833 CB 1.314 11 residues pruned to eliminate duplicates S: 11 7.608 1.866 0.314 0.435 0.800 0.600 CB 1.312 11 residues pruned to eliminate duplicates T: 21 22.801 1.897 0.593 0.833 1.000 0.900 CB 1.266 U: 13 16.388 1.824 1.083 0.871 0.917 0.667 CB 0.991 13 residues pruned to eliminate duplicates V: 19 18.476 1.928 0.625 0.703 0.833 0.444 CB 1.387 11 residues pruned to eliminate duplicates W: 8 3.827 1.817 0.519 0.223 0.714 0.571 CB 1.015 X: 18 28.112 1.971 1.078 0.900 0.941 0.882 CB 1.264 19 residues pruned to eliminate duplicates Y: 17 20.209 1.975 0.924 0.505 0.812 0.750 CA 1.627 17 residues pruned to eliminate duplicates Z: 19 30.509 1.952 1.073 0.821 1.000 0.833 CB 1.346 18 residues pruned to eliminate duplicates Z: 53 39.640 1.918 0.937 0.632 0.942 0.673 CB 1.388 21 residues pruned to eliminate duplicates Z: 19 30.958 1.929 1.057 0.915 1.000 0.722 CB 1.300 19 residues pruned to eliminate duplicates Z: 10 23.737 2.012 0.720 0.886 1.000 1.000 CB 1.650 10 residues pruned to eliminate duplicates Z: 15 27.698 1.952 0.990 0.865 0.857 0.571 CB 1.628 15 residues pruned to eliminate duplicates Z: 66 33.973 1.888 0.845 0.561 0.892 0.662 CB 1.278 Z: 15 30.788 2.081 0.907 0.894 1.000 0.929 CB 1.488 15 residues pruned to eliminate duplicates Z: 34 24.911 1.959 0.768 0.505 0.909 0.697 CB 1.370 Z: 13 5.085 1.726 0.414 0.304 0.833 0.333 CB 0.898 Z: 20 32.504 2.060 0.856 0.730 0.947 0.684 CB 1.673 19 residues pruned to eliminate duplicates Z: 18 24.763 1.914 1.125 0.909 1.000 1.000 CB 1.047 18 residues pruned to eliminate duplicates Z: 8 15.457 1.724 0.769 0.852 1.000 0.857 CB 1.416 8 residues pruned to eliminate duplicates Z: 51 38.525 1.936 0.818 0.673 0.940 0.740 CB 1.403 51 residues pruned to eliminate duplicates Z: 12 22.869 1.784 0.920 0.857 1.000 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 12 23.489 2.067 0.859 0.754 0.909 0.545 CB 1.617 12 residues pruned to eliminate duplicates Z: 50 33.288 1.968 0.813 0.547 0.939 0.714 CB 1.356 32 residues pruned to eliminate duplicates Z: 14 22.700 2.063 1.023 0.755 0.846 0.615 CB 1.421 14 residues pruned to eliminate duplicates Z: 15 24.017 1.959 0.755 0.910 0.929 0.857 CB 1.426 15 residues pruned to eliminate duplicates Z: 13 23.791 1.980 0.781 0.831 1.000 0.833 CA 1.463 13 residues pruned to eliminate duplicates Z: 14 16.721 1.903 0.771 0.528 0.846 0.769 CB 1.583 14 residues pruned to eliminate duplicates Z: 13 19.654 1.928 0.758 0.756 0.917 0.583 CB 1.454 12 residues pruned to eliminate duplicates Z: 20 29.596 1.903 0.666 0.921 1.000 0.947 CB 1.507 20 residues pruned to eliminate duplicates Z: 15 26.917 1.869 1.020 0.888 1.000 0.643 CB 1.373 15 residues pruned to eliminate duplicates Z: 11 17.265 1.759 0.812 0.837 0.900 0.600 O 1.424 11 residues pruned to eliminate duplicates Z: 12 38.783 2.238 1.256 0.918 1.000 0.636 CB 1.634 13 residues pruned to eliminate duplicates Z: 14 29.013 2.032 1.127 0.866 0.923 0.769 CB 1.477 14 residues pruned to eliminate duplicates Z: 16 19.216 1.989 0.948 0.570 0.933 0.867 CB 1.283 14 residues pruned to eliminate duplicates Z: 17 11.771 1.875 0.421 0.373 0.875 0.500 CB 1.447 9 residues pruned to eliminate duplicates Z: 12 23.609 1.902 0.825 0.919 1.000 0.818 CA 1.445 Z: 15 21.443 1.923 0.994 0.885 0.857 0.714 CB 1.259 15 residues pruned to eliminate duplicates Z: 93 45.231 2.030 0.900 0.517 0.880 0.554 CB 1.365 52 residues pruned to eliminate duplicates Z: 17 20.314 1.993 0.993 0.482 0.812 0.562 CB 1.603 26 residues pruned to eliminate duplicates Z: 35 26.586 2.005 0.791 0.559 0.882 0.588 CB 1.359 Z: 16 14.563 1.740 1.045 0.442 0.867 0.600 CB 1.294 16 residues pruned to eliminate duplicates Z: 14 26.872 1.944 0.870 0.906 0.923 0.462 CA 1.579 14 residues pruned to eliminate duplicates Z: 10 13.617 2.004 1.196 0.425 0.889 0.444 CB 1.255 10 residues pruned to eliminate duplicates Z: 15 9.981 1.926 0.740 0.381 0.714 0.429 CB 1.265 Z: 23 31.824 1.968 0.982 0.774 0.955 0.727 CB 1.429 23 residues pruned to eliminate duplicates Z: 23 17.670 2.019 0.461 0.613 0.955 0.727 CB 1.202 23 residues pruned to eliminate duplicates Z: 14 33.155 2.017 0.969 0.919 1.000 0.923 CB 1.632 14 residues pruned to eliminate duplicates Z: 14 18.795 1.930 0.546 0.815 0.923 0.769 CB 1.439 14 residues pruned to eliminate duplicates Z: 13 29.776 2.009 0.917 0.919 1.000 0.917 CB 1.573 13 residues pruned to eliminate duplicates Z: 12 7.995 1.891 0.388 0.383 0.818 0.545 CB 1.271 12 residues pruned to eliminate duplicates Z: 14 25.746 1.985 1.137 0.805 0.923 0.692 CB 1.397 14 residues pruned to eliminate duplicates Z: 21 32.077 1.880 1.074 0.913 1.000 0.700 CB 1.302 21 residues pruned to eliminate duplicates Z: 43 24.387 1.914 0.697 0.531 0.881 0.571 CB 1.275 46 residues pruned to eliminate duplicates Z: 14 31.472 1.824 1.124 0.922 1.000 0.923 CB 1.584 14 residues pruned to eliminate duplicates Z: 15 23.507 1.911 0.761 0.838 0.929 0.500 CB 1.502 15 residues pruned to eliminate duplicates Z: 18 24.386 2.035 0.855 0.606 0.882 0.647 CB 1.606 13 residues pruned to eliminate duplicates Z: 24 21.731 2.005 0.942 0.543 0.870 0.696 CB 1.283 24 residues pruned to eliminate duplicates Z: 33 22.377 1.968 0.636 0.616 0.875 0.750 CB 1.258 33 residues pruned to eliminate duplicates Z: 14 13.459 2.009 0.799 0.529 0.923 0.692 CB 1.087 14 residues pruned to eliminate duplicates Z: 29 16.441 1.899 0.524 0.502 0.857 0.750 CB 1.250 29 residues pruned to eliminate duplicates Z: 14 23.784 1.859 0.896 0.898 0.923 0.923 CA 1.450 14 residues pruned to eliminate duplicates Z: 18 20.192 1.980 0.730 0.618 1.000 0.824 CB 1.279 18 residues pruned to eliminate duplicates Z: 36 43.799 2.091 1.132 0.655 0.943 0.714 CB 1.526 34 residues pruned to eliminate duplicates Z: 16 13.374 1.822 1.036 0.518 0.933 0.667 CB 0.980 18 residues pruned to eliminate duplicates Z: 23 25.500 1.859 0.673 0.853 0.955 0.818 CB 1.353 18 residues pruned to eliminate duplicates Z: 14 30.624 1.806 1.139 0.924 1.000 0.846 CA 1.544 14 residues pruned to eliminate duplicates Z: 15 25.702 1.822 0.785 0.843 1.000 0.571 CA 1.573 15 residues pruned to eliminate duplicates Z: 7 8.103 1.845 0.524 0.469 0.833 0.667 O 1.457 7 residues pruned to eliminate duplicates Z: 7 10.174 2.065 0.640 0.537 0.833 0.833 CB 1.419 Z: 19 35.325 1.977 1.091 0.925 0.944 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 21 28.676 2.021 1.023 0.823 0.900 0.750 CB 1.317 21 residues pruned to eliminate duplicates Z: 22 32.501 1.891 1.035 0.793 0.952 0.524 CB 1.496 22 residues pruned to eliminate duplicates Z: 12 11.953 1.749 0.694 0.675 1.000 0.455 CB 1.035 12 residues pruned to eliminate duplicates Z: 9 28.247 2.194 1.155 0.841 0.875 0.750 CB 1.799 9 residues pruned to eliminate duplicates Z: 13 7.953 1.746 0.555 0.486 0.833 0.583 CB 1.030 Z: 6 2.187 1.738 0.138 0.339 0.800 0.400 CB 0.737 Z: 37 26.148 1.969 0.807 0.478 0.972 0.694 CB 1.288 37 residues pruned to eliminate duplicates Z: 19 22.685 1.970 0.715 0.789 0.889 0.833 CB 1.382 19 residues pruned to eliminate duplicates Z: 6 13.635 1.823 0.779 0.885 1.000 1.000 CA 1.357 6 residues pruned to eliminate duplicates Z: 12 22.372 2.073 1.266 0.817 0.818 0.636 CB 1.333 12 residues pruned to eliminate duplicates Z: 13 22.924 1.817 0.881 0.880 1.000 0.750 N 1.403 13 residues pruned to eliminate duplicates Z: 16 7.933 1.703 0.761 0.251 0.867 0.400 CB 1.050 Z: 19 29.646 1.980 1.091 0.925 1.000 0.889 CB 1.184 19 residues pruned to eliminate duplicates Z: 12 23.576 2.076 1.095 0.831 0.909 0.636 CB 1.351 12 residues pruned to eliminate duplicates Z: 57 31.992 1.916 0.798 0.580 0.857 0.571 CB 1.340 57 residues pruned to eliminate duplicates Z: 8 12.004 1.809 1.199 0.593 0.857 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 14 31.945 2.104 0.947 0.929 1.000 1.000 CB 1.514 14 residues pruned to eliminate duplicates Z: 18 28.722 1.965 0.932 0.881 1.000 0.765 CB 1.329 18 residues pruned to eliminate duplicates Z: 16 31.319 2.012 0.787 0.935 1.000 0.933 CB 1.568 16 residues pruned to eliminate duplicates Z: 55 35.125 2.002 0.766 0.577 0.907 0.630 CB 1.384 50 residues pruned to eliminate duplicates Z: 20 29.661 1.912 1.064 0.863 0.947 0.789 CB 1.335 20 residues pruned to eliminate duplicates Z: 17 11.157 1.848 0.520 0.540 0.875 0.688 CB 1.091 17 residues pruned to eliminate duplicates Z: 17 20.608 1.653 0.816 0.798 1.000 0.625 N 1.323 17 residues pruned to eliminate duplicates Z: 23 21.470 1.902 0.726 0.772 0.909 0.727 CB 1.206 23 residues pruned to eliminate duplicates Z: 20 18.639 1.882 0.667 0.866 0.789 0.737 CB 1.264 20 residues pruned to eliminate duplicates Z: 22 23.231 1.911 0.749 0.785 0.952 0.810 CB 1.239 22 residues pruned to eliminate duplicates Z: 12 22.052 1.939 0.751 0.864 0.909 0.818 CB 1.580 12 residues pruned to eliminate duplicates Z: 16 14.441 1.813 0.797 0.711 0.867 0.400 CB 1.091 16 residues pruned to eliminate duplicates Z: 13 21.333 1.933 0.698 0.867 1.000 0.667 CB 1.373 13 residues pruned to eliminate duplicates Z: 7 12.933 1.799 1.090 0.782 0.833 0.500 N 1.315 7 residues pruned to eliminate duplicates Z: 13 21.316 1.898 0.665 0.934 1.000 0.833 CA 1.358 13 residues pruned to eliminate duplicates Z: 11 33.207 2.060 1.272 0.901 1.000 0.700 CA 1.602 11 residues pruned to eliminate duplicates Z: 13 20.741 1.821 0.811 0.923 0.917 0.917 CA 1.392 13 residues pruned to eliminate duplicates Z: 12 13.790 1.812 0.658 0.746 0.727 0.727 CB 1.527 12 residues pruned to eliminate duplicates Z: 36 48.428 2.122 1.351 0.653 0.943 0.686 CB 1.509 35 residues pruned to eliminate duplicates Z: 21 30.854 1.927 0.881 0.843 1.000 0.750 CB 1.417 21 residues pruned to eliminate duplicates Z: 13 24.558 1.905 1.023 0.928 1.000 0.917 CB 1.288 13 residues pruned to eliminate duplicates Z: 14 26.165 1.888 0.864 0.878 1.000 0.846 CB 1.497 14 residues pruned to eliminate duplicates Z: 15 18.387 1.996 0.924 0.564 0.929 0.714 CB 1.295 15 residues pruned to eliminate duplicates Z: 16 26.654 2.021 0.970 0.855 0.933 0.733 CB 1.367 16 residues pruned to eliminate duplicates Z: 12 15.367 1.901 0.367 0.866 0.909 0.636 CA 1.436 12 residues pruned to eliminate duplicates Z: 25 18.460 1.976 0.721 0.374 0.958 0.583 CB 1.323 25 residues pruned to eliminate duplicates Z: 75 59.208 2.125 1.026 0.608 0.919 0.757 CB 1.570 75 residues pruned to eliminate duplicates Z: 18 16.679 1.794 0.533 0.777 0.882 0.706 CB 1.306 18 residues pruned to eliminate duplicates Z: 41 20.173 1.947 0.696 0.436 0.775 0.525 CB 1.332 41 residues pruned to eliminate duplicates Z: 53 30.705 1.965 0.913 0.476 0.904 0.673 CB 1.284 53 residues pruned to eliminate duplicates Z: 40 24.909 1.903 0.861 0.450 0.897 0.667 CB 1.321 40 residues pruned to eliminate duplicates Z: 6 6.231 1.759 0.684 0.527 0.800 0.600 CB 1.145 Z: 22 21.818 1.931 0.674 0.789 0.905 0.619 CB 1.263 22 residues pruned to eliminate duplicates Z: 9 8.806 1.792 0.977 0.501 0.750 0.625 CB 1.171 Z: 9 14.997 1.743 0.850 0.780 1.000 0.750 N 1.285 9 residues pruned to eliminate duplicates Z: 15 27.697 1.892 1.087 0.924 0.929 0.786 CB 1.418 15 residues pruned to eliminate duplicates Z: 11 19.294 2.025 0.569 0.901 1.000 0.900 CB 1.371 11 residues pruned to eliminate duplicates Z: 22 24.534 1.932 0.765 0.843 0.952 0.810 CB 1.228 22 residues pruned to eliminate duplicates Z: 23 21.826 1.875 0.553 0.803 0.909 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 13 23.948 1.746 0.972 0.819 1.000 0.917 CA 1.523 13 residues pruned to eliminate duplicates Z: 31 16.373 1.929 0.841 0.293 0.833 0.600 CB 1.274 31 residues pruned to eliminate duplicates Z: 67 35.956 1.980 0.826 0.525 0.924 0.667 CB 1.292 68 residues pruned to eliminate duplicates Z: 21 33.299 1.914 1.139 0.891 0.950 0.800 CB 1.376 21 residues pruned to eliminate duplicates Z: 18 27.523 2.047 0.948 0.664 0.882 0.706 CB 1.630 16 residues pruned to eliminate duplicates Z: 6 15.233 1.919 1.079 0.706 1.000 0.600 CB 1.416 9 residues pruned to eliminate duplicates Z: 12 25.107 2.009 0.708 0.872 1.000 0.727 CB 1.608 12 residues pruned to eliminate duplicates Z: 15 20.301 1.786 0.911 0.767 0.929 0.714 CB 1.351 15 residues pruned to eliminate duplicates Z: 6 9.483 1.643 0.458 0.760 1.000 0.400 CB 1.405 6 residues pruned to eliminate duplicates Z: 16 19.946 1.870 0.778 0.850 0.933 0.733 CB 1.229 16 residues pruned to eliminate duplicates Z: 14 18.764 1.810 0.867 0.904 0.923 0.846 CB 1.188 14 residues pruned to eliminate duplicates Z: 22 30.367 2.029 0.967 0.808 0.905 0.857 CB 1.403 22 residues pruned to eliminate duplicates Z: 18 19.067 1.777 0.881 0.732 0.765 0.471 N 1.468 18 residues pruned to eliminate duplicates Z: 11 13.714 1.877 0.560 0.786 0.800 0.700 CB 1.440 11 residues pruned to eliminate duplicates Z: 16 27.011 1.934 1.072 0.852 1.000 0.800 CB 1.287 16 residues pruned to eliminate duplicates Z: 19 28.642 1.942 0.582 0.906 1.000 0.833 CB 1.563 19 residues pruned to eliminate duplicates Z: 12 25.490 1.982 0.985 0.860 1.000 0.818 CB 1.437 12 residues pruned to eliminate duplicates Z: 10 13.300 1.815 0.716 0.549 0.889 0.556 CB 1.527 Z: 10 22.966 2.021 0.589 0.891 1.000 0.889 CB 1.713 10 residues pruned to eliminate duplicates Z: 12 24.998 2.006 0.858 0.752 1.000 0.545 CB 1.616 12 residues pruned to eliminate duplicates Z: 29 28.437 2.076 0.745 0.568 0.893 0.643 CB 1.556 29 residues pruned to eliminate duplicates Z: 18 38.018 2.001 1.243 0.939 1.000 0.882 CB 1.427 18 residues pruned to eliminate duplicates Z: 14 18.284 1.889 0.935 0.881 1.000 0.846 CB 1.005 14 residues pruned to eliminate duplicates Z: 10 16.273 1.906 1.008 0.613 0.889 0.667 CB 1.432 9 residues pruned to eliminate duplicates Z: 14 27.363 1.949 0.800 0.898 1.000 0.923 CB 1.548 14 residues pruned to eliminate duplicates Z: 11 20.570 1.971 0.522 0.865 1.000 0.800 CB 1.587 11 residues pruned to eliminate duplicates Z: 20 29.991 1.896 1.215 0.871 0.947 0.632 CB 1.262 20 residues pruned to eliminate duplicates Z: 14 17.683 1.893 0.860 0.908 1.000 1.000 CB 0.989 14 residues pruned to eliminate duplicates Z: 18 27.414 2.083 0.796 0.664 0.941 0.882 CB 1.621 18 residues pruned to eliminate duplicates Z: 18 21.200 1.763 0.828 0.743 0.941 0.706 CA 1.364 18 residues pruned to eliminate duplicates Z: 22 29.325 2.001 0.962 0.840 0.952 0.667 CB 1.277 22 residues pruned to eliminate duplicates Z: 22 25.732 1.969 0.810 0.822 0.905 0.667 CB 1.317 22 residues pruned to eliminate duplicates Z: 51 33.766 1.986 0.884 0.619 0.900 0.540 CB 1.267 51 residues pruned to eliminate duplicates Z: 8 13.408 1.679 1.131 0.767 0.857 0.714 N 1.305 8 residues pruned to eliminate duplicates Z: 33 22.815 1.945 0.830 0.536 0.906 0.719 CB 1.206 33 residues pruned to eliminate duplicates Z: 21 22.801 1.978 0.614 0.827 0.950 0.900 CB 1.267 21 residues pruned to eliminate duplicates Z: 40 31.105 1.950 0.779 0.659 0.923 0.718 CB 1.342 40 residues pruned to eliminate duplicates Z: 19 26.246 1.966 1.111 0.809 1.000 0.556 CB 1.139 19 residues pruned to eliminate duplicates Z: 13 14.834 1.843 0.320 0.797 1.000 0.417 CB 1.357 13 residues pruned to eliminate duplicates Z: 9 15.718 1.882 0.842 0.708 1.000 0.625 CB 1.327 9 residues pruned to eliminate duplicates Z: 15 22.156 1.889 0.550 0.888 1.000 0.786 CB 1.458 15 residues pruned to eliminate duplicates Z: 24 18.956 1.907 0.808 0.519 0.913 0.565 CB 1.233 24 residues pruned to eliminate duplicates Z: 23 26.528 1.981 0.834 0.814 0.909 0.773 CB 1.303 23 residues pruned to eliminate duplicates Z: 7 6.859 1.687 0.390 0.608 0.833 0.667 N 1.294 7 residues pruned to eliminate duplicates Z: 51 27.849 1.938 0.757 0.533 0.880 0.640 CB 1.272 49 residues pruned to eliminate duplicates Z: 11 25.584 2.107 0.985 0.772 0.900 0.700 CA 1.690 11 residues pruned to eliminate duplicates Z: 20 12.990 1.935 0.839 0.365 0.789 0.632 CB 1.226 20 residues pruned to eliminate duplicates Z: 10 15.781 1.985 0.747 0.890 0.889 0.889 CB 1.228 10 residues pruned to eliminate duplicates Z: 15 23.770 1.895 0.606 0.891 0.929 0.929 CB 1.616 15 residues pruned to eliminate duplicates Z: 18 19.255 1.747 0.905 0.765 0.824 0.588 CB 1.346 18 residues pruned to eliminate duplicates Z: 7 21.921 1.932 1.096 0.794 1.000 0.667 CB 1.708 7 residues pruned to eliminate duplicates Z: 7 9.578 1.931 0.859 0.397 0.833 0.500 CA 1.457 7 residues pruned to eliminate duplicates Z: 43 25.669 1.885 0.748 0.491 0.905 0.524 CB 1.340 43 residues pruned to eliminate duplicates Z: 20 11.430 1.852 0.681 0.456 0.737 0.579 CB 1.195 21 residues pruned to eliminate duplicates Z: 20 13.720 1.859 0.810 0.393 0.789 0.526 CB 1.327 20 residues pruned to eliminate duplicates Z: 13 29.691 1.968 1.046 0.929 1.000 0.833 CB 1.490 13 residues pruned to eliminate duplicates Z: 11 27.227 1.960 0.917 0.910 1.000 1.000 CA 1.624 12 residues pruned to eliminate duplicates Z: 49 23.629 1.953 0.702 0.419 0.854 0.562 CB 1.306 49 residues pruned to eliminate duplicates Z: 7 6.550 1.474 0.563 0.780 0.833 0.833 O 1.087 7 residues pruned to eliminate duplicates Z: 13 20.285 1.765 0.608 0.918 1.000 0.917 CA 1.455 13 residues pruned to eliminate duplicates Z: 14 26.689 2.095 1.002 0.891 0.923 0.692 CB 1.374 14 residues pruned to eliminate duplicates Z: 10 9.732 1.865 0.863 0.490 0.778 0.444 CB 1.212 10 residues pruned to eliminate duplicates Z: 13 26.604 1.799 1.026 0.911 1.000 0.833 N 1.493 13 residues pruned to eliminate duplicates Z: 6 2.749 1.463 0.684 0.334 0.600 0.600 CB 0.997 Z: 20 18.343 1.984 0.395 0.818 0.895 0.789 CB 1.289 20 residues pruned to eliminate duplicates Z: 18 25.898 1.883 0.979 0.704 0.941 0.588 CB 1.488 18 residues pruned to eliminate duplicates Z: 13 21.684 1.957 1.018 0.844 0.833 0.500 CB 1.416 13 residues pruned to eliminate duplicates Z: 32 28.892 2.016 0.774 0.618 0.903 0.742 CB 1.437 32 residues pruned to eliminate duplicates Z: 12 13.606 1.828 0.990 0.749 0.818 0.727 CB 1.103 12 residues pruned to eliminate duplicates Z: 14 7.875 1.792 0.545 0.362 0.846 0.385 CB 1.082 14 residues pruned to eliminate duplicates Z: 20 34.485 1.983 0.948 0.844 1.000 0.895 CB 1.523 20 residues pruned to eliminate duplicates Z: 6 6.572 1.655 0.414 0.753 1.000 0.800 CB 1.002 6 residues pruned to eliminate duplicates Z: 9 17.497 1.898 1.065 0.715 0.875 0.875 CB 1.485 9 residues pruned to eliminate duplicates Z: 54 41.697 2.016 0.916 0.653 0.887 0.642 CB 1.450 57 residues pruned to eliminate duplicates Z: 10 9.342 1.796 0.763 0.601 0.889 0.667 CB 1.005 10 residues pruned to eliminate duplicates Z: 19 24.951 1.613 1.220 0.852 0.944 0.611 N 1.287 19 residues pruned to eliminate duplicates Z: 10 21.488 2.038 0.820 0.853 0.889 0.667 CB 1.606 10 residues pruned to eliminate duplicates Z: 21 20.945 1.842 0.867 0.676 0.850 0.500 CB 1.364 21 residues pruned to eliminate duplicates Z: 19 12.976 1.919 0.594 0.455 0.833 0.556 CB 1.256 19 residues pruned to eliminate duplicates Z: 13 22.854 1.802 0.768 0.932 1.000 0.833 CB 1.447 13 residues pruned to eliminate duplicates Z: 19 14.154 1.952 0.764 0.553 0.778 0.611 CB 1.183 19 residues pruned to eliminate duplicates Z: 15 20.791 1.859 0.786 0.899 1.000 0.786 CB 1.197 15 residues pruned to eliminate duplicates Z: 34 30.034 2.022 0.843 0.564 0.879 0.667 CB 1.499 34 residues pruned to eliminate duplicates Z: 68 30.648 1.894 0.844 0.466 0.881 0.687 CB 1.260 68 residues pruned to eliminate duplicates Z: 13 18.670 1.898 0.778 0.892 1.000 0.750 CB 1.148 13 residues pruned to eliminate duplicates Z: 14 12.012 1.686 0.631 0.624 0.923 0.692 CB 1.167 14 residues pruned to eliminate duplicates Z: 11 11.180 1.868 0.219 0.799 0.900 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 8 10.061 1.821 0.956 0.495 0.857 0.429 CB 1.252 7 residues pruned to eliminate duplicates Z: 12 23.906 1.952 0.924 0.831 1.000 0.818 CB 1.443 12 residues pruned to eliminate duplicates Z: 32 19.556 1.930 0.844 0.365 0.839 0.484 CB 1.360 13 residues pruned to eliminate duplicates Z: 13 11.838 1.788 0.405 0.807 0.917 0.667 CB 1.135 13 residues pruned to eliminate duplicates Z: 13 20.960 1.887 0.767 0.830 0.917 0.750 CB 1.488 13 residues pruned to eliminate duplicates Z: 15 18.079 1.854 0.661 0.863 0.929 0.786 CB 1.240 15 residues pruned to eliminate duplicates Z: 20 26.953 1.937 0.799 0.849 0.947 0.789 CB 1.388 20 residues pruned to eliminate duplicates Z: 19 27.235 1.978 0.905 0.831 0.889 0.833 CB 1.439 19 residues pruned to eliminate duplicates Z: 53 45.224 2.028 1.052 0.652 0.942 0.596 CB 1.388 55 residues pruned to eliminate duplicates Z: 24 21.166 1.826 0.625 0.793 0.957 0.652 CB 1.202 24 residues pruned to eliminate duplicates Z: 8 5.774 1.731 0.609 0.648 0.714 0.429 N 0.956 8 residues pruned to eliminate duplicates Z: 11 9.075 1.626 0.599 0.695 0.900 0.700 CB 1.026 11 residues pruned to eliminate duplicates Z: 19 18.363 1.758 0.483 0.591 1.000 0.500 CB 1.522 19 residues pruned to eliminate duplicates Z: 13 18.828 1.837 0.702 0.912 1.000 0.833 CB 1.231 13 residues pruned to eliminate duplicates Z: 12 7.874 1.733 0.813 0.557 0.818 0.727 CB 0.874 12 residues pruned to eliminate duplicates Z: 21 29.676 1.918 0.789 0.817 1.000 0.750 CB 1.468 21 residues pruned to eliminate duplicates Z: 51 39.874 1.920 0.961 0.660 0.920 0.620 CB 1.403 51 residues pruned to eliminate duplicates Z: 77 39.737 1.931 0.947 0.485 0.934 0.697 CB 1.317 78 residues pruned to eliminate duplicates Z: 53 39.407 1.904 0.872 0.662 0.962 0.635 CB 1.372 53 residues pruned to eliminate duplicates Z: 16 11.199 1.709 0.464 0.674 0.933 0.533 CB 1.055 16 residues pruned to eliminate duplicates Z: 15 16.245 1.912 0.482 0.839 0.857 0.786 CB 1.335 15 residues pruned to eliminate duplicates Z: 37 34.316 2.026 1.006 0.597 0.889 0.722 CB 1.444 37 residues pruned to eliminate duplicates Z: 8 7.473 1.817 0.497 0.538 0.857 0.571 CB 1.167 Z: 12 21.112 1.791 0.762 0.854 1.000 0.818 CA 1.490 12 residues pruned to eliminate duplicates Z: 13 10.598 1.775 0.725 0.348 0.833 0.500 CB 1.415 13 residues pruned to eliminate duplicates Z: 25 17.309 1.905 0.694 0.502 0.917 0.667 CB 1.192 25 residues pruned to eliminate duplicates Z: 15 14.582 1.867 0.262 0.885 0.929 0.857 CB 1.286 15 residues pruned to eliminate duplicates Z: 28 25.629 2.024 0.736 0.575 0.963 0.741 CB 1.357 28 residues pruned to eliminate duplicates Z: 25 13.569 1.858 0.709 0.407 0.792 0.417 CB 1.216 25 residues pruned to eliminate duplicates Z: 47 28.320 1.927 0.806 0.515 0.935 0.674 CB 1.264 47 residues pruned to eliminate duplicates Z: 12 14.297 1.918 0.565 0.756 0.909 0.455 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 19.944 1.932 0.692 0.885 0.923 0.923 CB 1.323 14 residues pruned to eliminate duplicates Z: 11 6.025 1.606 0.904 0.780 0.800 0.800 CB 0.609 Z: 52 50.513 2.024 1.252 0.667 0.922 0.549 CB 1.442 52 residues pruned to eliminate duplicates Z: 22 7.396 1.734 0.661 0.226 0.714 0.619 CB 1.080 22 residues pruned to eliminate duplicates Z: 31 26.290 1.991 0.920 0.445 0.933 0.633 CB 1.423 31 residues pruned to eliminate duplicates Z: 12 9.012 1.618 0.462 0.705 0.818 0.727 CB 1.166 12 residues pruned to eliminate duplicates Z: 13 12.236 1.667 0.561 0.617 0.917 0.750 CB 1.327 Z: 19 25.461 1.997 0.703 0.871 1.000 0.944 CB 1.287 19 residues pruned to eliminate duplicates Z: 12 7.205 1.475 0.745 0.552 0.727 0.455 CB 1.103 12 residues pruned to eliminate duplicates Z: 13 28.973 1.966 1.070 0.911 1.000 0.833 CB 1.456 13 residues pruned to eliminate duplicates Z: 7 9.981 1.602 0.719 0.741 1.000 0.500 CB 1.192 Z: 36 24.027 1.933 0.790 0.468 0.914 0.686 CB 1.326 36 residues pruned to eliminate duplicates Z: 13 15.877 1.855 0.500 0.656 1.000 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 12 16.746 1.841 0.577 0.913 0.909 0.818 CB 1.354 12 residues pruned to eliminate duplicates Z: 7 3.531 1.644 0.413 0.424 0.833 0.500 CB 0.807 Z: 24 26.277 1.877 0.880 0.748 0.913 0.696 CB 1.362 24 residues pruned to eliminate duplicates Z: 9 13.289 1.764 0.804 0.719 0.875 0.625 CB 1.384 9 residues pruned to eliminate duplicates Z: 12 22.566 1.861 0.849 0.828 1.000 0.636 CA 1.489 12 residues pruned to eliminate duplicates Z: 16 20.687 2.010 0.828 0.614 0.867 0.667 CB 1.506 22 residues pruned to eliminate duplicates Z: 7 3.880 1.689 0.508 0.794 0.833 0.833 CB 0.577 Z: 12 11.058 1.600 0.852 0.719 1.000 0.818 CB 0.923 12 residues pruned to eliminate duplicates Z: 15 6.818 1.718 0.470 0.301 0.786 0.571 CB 1.147 15 residues pruned to eliminate duplicates Z: 19 22.516 1.788 0.708 0.732 0.944 0.611 CB 1.493 19 residues pruned to eliminate duplicates Z: 17 12.601 1.835 0.672 0.359 0.875 0.562 CB 1.365 17 residues pruned to eliminate duplicates Z: 13 22.124 1.925 0.932 0.844 0.917 0.750 CB 1.394 13 residues pruned to eliminate duplicates Z: 6 6.913 1.399 0.579 0.699 1.000 0.800 N 1.168 6 residues pruned to eliminate duplicates Z: 56 25.965 1.903 0.728 0.474 0.909 0.600 CB 1.202 56 residues pruned to eliminate duplicates Z: 9 5.145 1.679 0.307 0.428 1.000 1.000 CB 0.894 9 residues pruned to eliminate duplicates Z: 7 11.775 1.675 1.277 0.810 1.000 0.667 CB 0.962 Z: 13 22.042 1.933 0.870 0.920 1.000 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 9 8.284 1.915 0.394 0.545 0.750 0.750 CB 1.400 9 residues pruned to eliminate duplicates Z: 6 5.045 1.474 0.460 0.434 1.000 0.400 CB 1.122 Z: 10 2.937 1.543 0.688 0.360 0.556 0.333 CB 0.787 Z: 13 30.166 1.917 1.264 0.918 1.000 0.750 CB 1.414 13 residues pruned to eliminate duplicates Z: 12 12.792 1.893 0.475 0.825 1.000 0.727 CB 1.043 12 residues pruned to eliminate duplicates Z: 9 7.556 1.940 0.353 0.466 0.875 0.750 CB 1.204 9 residues pruned to eliminate duplicates Z: 26 18.945 1.890 0.840 0.548 0.800 0.640 CB 1.299 26 residues pruned to eliminate duplicates Z: 6 5.291 1.539 0.653 0.586 0.800 0.600 N 1.070 Z: 47 43.716 1.900 0.933 0.683 0.978 0.630 CB 1.517 47 residues pruned to eliminate duplicates Z: 6 2.685 1.720 0.290 0.298 0.600 0.600 CB 1.129 Z: 46 24.862 1.843 0.785 0.479 0.822 0.533 CB 1.400 46 residues pruned to eliminate duplicates Z: 11 14.296 1.961 0.478 0.810 0.900 0.700 CB 1.323 11 residues pruned to eliminate duplicates Z: 12 14.909 1.703 0.552 0.857 0.909 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 6 9.347 1.844 0.939 0.477 1.000 1.000 O 1.195 Z: 18 17.515 1.933 0.835 0.483 0.941 0.706 CB 1.294 18 residues pruned to eliminate duplicates Z: 6 6.844 1.636 0.740 0.721 0.800 0.800 N 1.101 Z: 14 11.465 1.808 0.794 0.312 0.846 0.615 CB 1.426 14 residues pruned to eliminate duplicates Z: 39 26.737 1.948 0.791 0.594 0.842 0.658 CB 1.348 39 residues pruned to eliminate duplicates Z: 12 21.746 1.979 0.857 0.863 0.909 0.727 CB 1.440 12 residues pruned to eliminate duplicates Z: 13 21.002 1.867 0.949 0.845 0.917 0.500 CB 1.351 13 residues pruned to eliminate duplicates Z: 6 4.778 1.582 0.405 0.771 1.000 1.000 CB 0.757 Z: 14 20.439 1.644 0.899 0.864 0.923 0.692 N 1.442 13 residues pruned to eliminate duplicates Z: 22 6.593 1.683 0.306 0.306 0.714 0.524 CB 1.138 22 residues pruned to eliminate duplicates Z: 12 19.625 1.838 0.649 0.859 1.000 0.909 CA 1.436 11 residues pruned to eliminate duplicates Z: 20 21.915 1.818 0.725 0.688 0.895 0.684 CB 1.507 20 residues pruned to eliminate duplicates Z: 51 32.114 1.962 0.783 0.543 0.920 0.640 CB 1.352 63 residues pruned to eliminate duplicates Z: 13 8.226 1.817 0.647 0.449 0.750 0.667 CB 1.114 Z: 8 6.722 1.703 0.727 0.300 0.857 0.429 CB 1.259 Z: 18 29.412 2.062 0.965 0.763 0.824 0.529 CB 1.692 18 residues pruned to eliminate duplicates Z: 6 4.022 1.862 0.329 0.478 1.000 0.800 CB 0.743 Z: 21 18.636 1.906 0.909 0.813 0.900 0.700 CB 0.970 18 residues pruned to eliminate duplicates Z: 64 37.721 2.001 0.946 0.455 0.921 0.651 CB 1.389 64 residues pruned to eliminate duplicates Z: 29 16.074 1.811 0.668 0.359 0.929 0.643 CB 1.260 29 residues pruned to eliminate duplicates Z: 75 39.943 1.957 0.861 0.512 0.946 0.662 CB 1.332 75 residues pruned to eliminate duplicates Z: 16 10.797 1.854 0.564 0.345 0.867 0.533 CB 1.312 16 residues pruned to eliminate duplicates Z: 11 8.678 1.701 0.646 0.605 0.900 0.500 CB 0.986 11 residues pruned to eliminate duplicates Z: 6 11.721 1.966 0.431 0.732 1.000 0.800 CB 1.513 Z: 116 54.402 2.008 1.001 0.512 0.878 0.557 CB 1.422 111 residues pruned to eliminate duplicates Z: 9 3.563 1.692 0.532 0.435 0.750 0.500 CB 0.693 Z: 48 25.585 1.965 0.809 0.424 0.936 0.617 CB 1.214 48 residues pruned to eliminate duplicates Z: 29 23.630 1.914 0.724 0.536 0.929 0.607 CB 1.406 31 residues pruned to eliminate duplicates Z: 8 15.545 1.793 0.716 0.852 1.000 1.000 CB 1.412 8 residues pruned to eliminate duplicates Z: 7 2.627 1.620 0.439 0.563 0.667 0.500 CB 0.649 7 residues pruned to eliminate duplicates Z: 15 16.035 1.730 0.799 0.738 0.857 0.786 CB 1.298 15 residues pruned to eliminate duplicates Z: 6 3.718 1.813 0.344 0.298 0.800 0.600 CB 1.069 Z: 22 28.864 2.034 0.822 0.802 0.952 0.762 CB 1.371 22 residues pruned to eliminate duplicates Z: 7 3.708 1.591 0.977 0.348 0.500 0.500 CB 1.135 Z: 23 21.717 1.980 0.686 0.479 0.864 0.455 CB 1.641 23 residues pruned to eliminate duplicates Z: 12 16.031 2.014 0.389 0.912 0.909 0.909 CB 1.346 12 residues pruned to eliminate duplicates Z: 13 20.871 1.959 0.894 0.751 0.917 0.750 CB 1.416 14 residues pruned to eliminate duplicates Z: 12 9.975 1.561 0.938 0.440 0.909 0.545 CB 1.163 7 residues pruned to eliminate duplicates Z: 30 30.042 2.032 0.957 0.560 0.931 0.724 CB 1.422 30 residues pruned to eliminate duplicates Z: 9 4.085 1.691 0.247 0.390 0.625 0.375 CB 1.232 Z: 27 12.243 1.779 0.627 0.304 0.885 0.462 CB 1.166 27 residues pruned to eliminate duplicates Z: 12 17.328 1.993 0.592 0.881 0.909 0.909 CB 1.311 12 residues pruned to eliminate duplicates Z: 13 15.317 1.779 0.702 0.831 0.917 0.750 CB 1.197 13 residues pruned to eliminate duplicates Z: 7 5.657 1.678 0.251 0.402 1.000 0.500 CB 1.220 Z: 40 26.599 1.912 0.872 0.578 0.897 0.667 CB 1.230 40 residues pruned to eliminate duplicates Z: 7 5.583 1.732 0.920 0.349 0.833 0.333 CB 0.969 7 residues pruned to eliminate duplicates Z: 18 26.151 2.055 1.000 0.628 0.882 0.588 CB 1.551 18 residues pruned to eliminate duplicates Z: 39 36.973 1.954 0.910 0.613 0.921 0.632 CB 1.567 39 residues pruned to eliminate duplicates Z: 8 8.149 1.542 0.813 0.628 0.857 0.429 CB 1.139 8 residues pruned to eliminate duplicates Z: 6 4.556 1.797 0.390 0.462 0.600 0.200 N 1.413 6 residues pruned to eliminate duplicates Z: 10 6.611 1.623 0.149 0.785 1.000 0.556 CB 0.920 Z: 15 14.772 1.813 0.789 0.725 0.786 0.429 CB 1.264 15 residues pruned to eliminate duplicates Z: 10 8.241 1.879 0.201 0.427 0.889 0.556 CB 1.477 10 residues pruned to eliminate duplicates 6 -0.942 1.823 0.930 0.880 1.000 1.000 CB-0.087 ? Z: 24 24.212 1.890 0.832 0.758 0.870 0.609 CB 1.333 24 residues pruned to eliminate duplicates Z: 15 14.779 1.955 0.991 0.306 0.929 0.500 CB 1.355 15 residues pruned to eliminate duplicates Z: 19 34.845 2.002 0.942 0.925 1.000 0.889 CB 1.483 19 residues pruned to eliminate duplicates Z: 6 5.588 1.527 0.961 0.841 1.000 1.000 CB 0.622 Z: 6 2.315 1.351 0.695 0.316 0.600 0.600 O 0.924 Z: 6 2.273 1.454 0.687 0.365 0.600 0.400 CB 0.798 Z: 18 27.478 1.955 1.331 0.882 0.941 0.647 CB 1.125 18 residues pruned to eliminate duplicates Z: 15 19.730 2.089 0.595 0.586 0.929 0.786 CB 1.569 15 residues pruned to eliminate duplicates Z: 43 40.008 1.948 1.027 0.589 0.952 0.643 CB 1.507 44 residues pruned to eliminate duplicates Z: 8 5.663 1.204 0.696 0.706 0.857 0.857 CB 1.014 8 residues pruned to eliminate duplicates Z: 17 11.530 1.777 0.591 0.407 0.812 0.375 CB 1.384 17 residues pruned to eliminate duplicates Z: 61 27.259 1.904 0.683 0.496 0.883 0.700 CB 1.248 61 residues pruned to eliminate duplicates Z: 7 7.217 1.571 0.205 0.720 1.000 0.500 N 1.276 Z: 20 23.686 1.788 0.844 0.707 0.895 0.474 CB 1.525 20 residues pruned to eliminate duplicates Z: 15 9.092 1.670 0.350 0.718 0.786 0.500 CB 1.126 Z: 16 9.509 1.747 0.654 0.453 0.867 0.667 CB 1.029 16 residues pruned to eliminate duplicates Z: 8 22.324 2.052 1.172 0.856 1.000 0.714 CB 1.397 8 residues pruned to eliminate duplicates Z: 12 24.456 1.790 0.938 0.860 1.000 0.818 N 1.562 12 residues pruned to eliminate duplicates Z: 6 4.891 1.995 0.572 0.521 0.600 0.400 CB 1.139 6 residues pruned to eliminate duplicates Z: 44 25.915 1.961 0.795 0.531 0.860 0.558 CB 1.265 44 residues pruned to eliminate duplicates Z: 15 6.728 1.687 0.462 0.632 0.786 0.429 CB 0.820 15 residues pruned to eliminate duplicates Z: 20 31.440 2.075 0.857 0.630 1.000 0.737 CB 1.656 20 residues pruned to eliminate duplicates Z: 12 12.849 1.791 0.619 0.445 0.909 0.545 N 1.555 12 residues pruned to eliminate duplicates Z: 43 34.664 1.884 0.865 0.692 0.905 0.714 CB 1.411 43 residues pruned to eliminate duplicates Z: 6 9.467 1.702 0.901 0.824 0.800 0.800 CB 1.236 6 residues pruned to eliminate duplicates Z: 21 6.634 1.608 0.595 0.372 0.800 0.300 CB 0.828 19 residues pruned to eliminate duplicates Z: 9 8.418 1.771 0.856 0.833 1.000 0.750 CB 0.679 11 residues pruned to eliminate duplicates Z: 8 10.811 1.734 0.624 0.781 1.000 0.571 CB 1.134 Z: 7 3.840 1.412 0.393 0.417 0.833 0.667 N 1.044 Z: 13 6.496 1.645 0.742 0.266 0.750 0.583 N 1.139 13 residues pruned to eliminate duplicates Z: 6 11.018 1.863 1.010 0.755 0.800 0.800 N 1.310 6 residues pruned to eliminate duplicates Z: 46 32.199 2.025 1.017 0.503 0.889 0.667 CB 1.318 46 residues pruned to eliminate duplicates Z: 38 27.077 1.832 0.736 0.684 0.892 0.568 CB 1.326 38 residues pruned to eliminate duplicates Z: 15 10.291 1.828 0.895 0.241 0.786 0.286 CB 1.364 15 residues pruned to eliminate duplicates Z: 10 4.140 1.528 0.632 0.279 0.667 0.444 N 1.065 10 residues pruned to eliminate duplicates Z: 8 3.883 1.422 0.840 0.384 0.857 0.429 N 0.741 Z: 20 16.653 1.730 0.745 0.647 0.842 0.526 CB 1.310 20 residues pruned to eliminate duplicates Z: 7 6.337 1.790 0.500 0.645 1.000 1.000 CB 0.841 7 residues pruned to eliminate duplicates Z: 30 21.350 1.907 0.646 0.511 0.931 0.793 CB 1.342 30 residues pruned to eliminate duplicates Z: 15 15.542 1.684 0.787 0.580 1.000 0.571 CB 1.278 15 residues pruned to eliminate duplicates Z: 30 22.284 1.943 0.882 0.526 0.828 0.621 CB 1.332 30 residues pruned to eliminate duplicates Z: 6 2.464 1.433 0.665 0.410 0.800 0.600 CB 0.634 Z: 7 11.512 1.877 1.058 0.590 0.833 0.667 CB 1.339 Z: 8 16.026 1.867 0.804 0.704 1.000 0.714 N 1.493 8 residues pruned to eliminate duplicates Z: 17 8.642 1.696 0.514 0.398 0.750 0.375 N 1.250 16 residues pruned to eliminate duplicates Z: 7 2.807 1.829 0.521 0.302 0.833 0.667 CB 0.616 Z: 6 14.486 1.871 0.931 0.846 1.000 0.800 CA 1.332 Z: 19 6.152 1.474 0.712 0.224 0.722 0.444 CB 1.099 19 residues pruned to eliminate duplicates Z: 6 7.451 1.689 0.279 0.658 1.000 0.400 CB 1.332 Z: 55 43.888 1.986 0.913 0.658 0.981 0.741 CB 1.384 55 residues pruned to eliminate duplicates Z: 6 7.260 1.553 0.383 0.680 1.000 0.600 CB 1.282 5 residues pruned to eliminate duplicates Z: 22 9.380 1.867 0.632 0.298 0.667 0.333 CB 1.263 22 residues pruned to eliminate duplicates Z: 13 18.430 1.695 0.933 0.829 1.000 0.667 CB 1.221 13 residues pruned to eliminate duplicates Z: 38 22.842 1.745 0.625 0.621 0.865 0.595 CB 1.366 38 residues pruned to eliminate duplicates 485 residues left after pruning, divided into chains as follows: A: 189 B: 52 C: 54 D: 190 CC for partial structure against native data = 43.71 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.685, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.808, Connect. = 0.788 for dens.mod. cycle 2 = 0.300, Contrast = 0.963, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.997, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 1.018, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 1.025, Connect. = 0.807 for dens.mod. cycle 6 = 0.300, Contrast = 1.029, Connect. = 0.808 for dens.mod. cycle 7 = 0.300, Contrast = 1.028, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 1.026, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 1.023, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2243 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 507 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 25.512 2.126 1.107 0.777 0.909 0.636 CB 1.479 B: 14 15.849 1.782 0.573 0.806 1.000 0.769 CB 1.201 C: 13 24.463 1.905 0.822 0.876 1.000 0.750 CB 1.479 D: 11 24.861 1.994 0.645 0.905 1.000 0.900 CB 1.706 12 residues pruned to eliminate duplicates E: 14 22.434 1.901 1.030 0.726 0.923 0.615 CA 1.425 14 residues pruned to eliminate duplicates F: 11 22.228 2.145 0.609 0.826 0.900 0.800 N 1.706 G: 38 29.747 2.089 0.851 0.478 0.811 0.568 CB 1.595 13 residues pruned to eliminate duplicates H: 19 23.858 2.081 0.733 0.720 0.833 0.556 CB 1.534 11 residues pruned to eliminate duplicates I: 12 23.847 2.128 0.906 0.888 0.909 0.818 CB 1.405 12 residues pruned to eliminate duplicates J: 29 23.412 2.033 1.003 0.425 0.750 0.571 CB 1.567 31 residues pruned to eliminate duplicates K: 29 20.404 1.994 0.757 0.316 0.929 0.571 CB 1.453 L: 23 34.361 2.032 0.854 0.813 0.955 0.727 CB 1.552 M: 18 31.919 2.030 0.812 0.942 1.000 0.941 CB 1.459 N: 12 23.491 1.901 0.748 0.820 1.000 0.727 CB 1.614 13 residues pruned to eliminate duplicates O: 15 25.282 1.892 1.005 0.889 1.000 0.643 CB 1.282 P: 13 30.510 2.098 0.870 0.923 1.000 0.750 CB 1.578 Q: 25 24.810 1.912 0.869 0.743 0.875 0.625 CB 1.303 25 residues pruned to eliminate duplicates R: 51 40.067 2.082 0.951 0.554 0.860 0.560 CB 1.538 46 residues pruned to eliminate duplicates S: 84 54.366 2.119 1.028 0.585 0.880 0.627 CB 1.455 68 residues pruned to eliminate duplicates T: 15 27.160 2.048 0.993 0.882 0.929 0.643 CB 1.386 15 residues pruned to eliminate duplicates U: 18 24.816 2.151 0.774 0.729 0.824 0.412 CB 1.558 19 residues pruned to eliminate duplicates V: 42 23.283 2.036 0.610 0.405 0.927 0.683 CB 1.322 16 residues pruned to eliminate duplicates W: 12 19.985 2.183 0.776 0.741 0.727 0.636 CB 1.723 12 residues pruned to eliminate duplicates X: 13 24.390 1.931 0.980 0.874 0.917 0.667 CB 1.462 13 residues pruned to eliminate duplicates Y: 16 26.532 1.924 0.960 0.873 0.933 0.933 CB 1.417 16 residues pruned to eliminate duplicates Z: 20 29.391 2.073 1.071 0.786 0.947 0.895 CB 1.290 Z: 19 32.715 2.004 0.966 0.931 1.000 0.833 CB 1.368 18 residues pruned to eliminate duplicates Z: 14 21.784 2.037 0.352 0.931 1.000 1.000 CB 1.533 Z: 20 28.457 1.949 0.821 0.878 0.947 0.632 CB 1.409 20 residues pruned to eliminate duplicates Z: 15 23.378 1.911 0.560 0.914 1.000 0.929 CB 1.482 15 residues pruned to eliminate duplicates Z: 28 15.587 1.906 0.507 0.567 0.889 0.593 CB 1.101 Z: 23 25.435 1.990 0.697 0.780 0.909 0.682 CB 1.380 Z: 10 25.443 2.120 0.802 0.771 1.000 0.556 CA 1.747 10 residues pruned to eliminate duplicates Z: 14 20.571 1.958 0.571 0.912 1.000 0.846 CB 1.314 14 residues pruned to eliminate duplicates Z: 11 31.367 2.149 1.367 0.894 1.000 0.800 CB 1.399 11 residues pruned to eliminate duplicates Z: 19 29.589 1.994 0.645 0.915 1.000 0.944 CB 1.503 14 residues pruned to eliminate duplicates Z: 11 16.629 1.828 0.947 0.808 0.900 0.800 CB 1.255 11 residues pruned to eliminate duplicates Z: 12 26.246 2.122 0.908 0.906 0.909 0.818 CB 1.529 12 residues pruned to eliminate duplicates Z: 11 23.955 1.863 0.752 0.922 1.000 0.900 CB 1.633 11 residues pruned to eliminate duplicates Z: 51 24.262 1.973 0.780 0.372 0.840 0.580 CB 1.334 49 residues pruned to eliminate duplicates Z: 7 3.030 1.714 0.572 0.434 0.833 0.500 CB 0.590 Z: 20 31.377 2.163 0.946 0.700 0.895 0.526 CB 1.594 18 residues pruned to eliminate duplicates Z: 18 24.604 2.005 0.602 0.902 1.000 0.941 CB 1.326 18 residues pruned to eliminate duplicates Z: 21 28.817 1.932 0.869 0.823 0.950 0.850 CB 1.420 19 residues pruned to eliminate duplicates Z: 36 29.710 2.004 0.653 0.647 0.943 0.714 CB 1.402 19 residues pruned to eliminate duplicates Z: 11 21.249 1.921 0.502 0.869 1.000 0.900 CB 1.701 11 residues pruned to eliminate duplicates Z: 69 45.666 2.064 1.033 0.534 0.897 0.588 CB 1.423 56 residues pruned to eliminate duplicates Z: 54 28.559 2.036 0.657 0.514 0.887 0.679 CB 1.293 55 residues pruned to eliminate duplicates Z: 21 29.132 1.906 0.919 0.844 1.000 0.650 CB 1.325 21 residues pruned to eliminate duplicates Z: 15 24.657 1.960 0.719 0.883 1.000 0.857 CB 1.415 15 residues pruned to eliminate duplicates Z: 11 22.827 1.853 0.982 0.837 0.900 0.800 N 1.633 11 residues pruned to eliminate duplicates Z: 12 19.425 1.801 0.600 0.838 1.000 0.727 N 1.519 12 residues pruned to eliminate duplicates Z: 8 9.150 1.859 0.837 0.369 0.857 0.714 CB 1.358 Z: 84 39.509 1.945 0.749 0.557 0.916 0.687 CB 1.318 37 residues pruned to eliminate duplicates Z: 16 24.215 2.211 0.715 0.706 0.867 0.667 CB 1.578 19 residues pruned to eliminate duplicates Z: 20 27.087 2.036 0.781 0.824 0.895 0.842 CB 1.447 21 residues pruned to eliminate duplicates Z: 14 28.960 2.102 0.662 0.916 1.000 0.923 CB 1.624 14 residues pruned to eliminate duplicates Z: 13 32.243 2.099 1.011 0.913 0.917 0.667 CB 1.702 13 residues pruned to eliminate duplicates Z: 50 32.875 1.933 0.717 0.655 0.959 0.633 CB 1.278 20 residues pruned to eliminate duplicates Z: 18 17.351 2.094 0.546 0.603 0.941 0.765 CB 1.252 20 residues pruned to eliminate duplicates Z: 11 28.729 2.247 0.994 0.893 1.000 1.000 CB 1.455 11 residues pruned to eliminate duplicates Z: 14 30.979 2.121 0.898 0.904 1.000 0.846 CB 1.520 14 residues pruned to eliminate duplicates Z: 19 25.343 1.904 0.799 0.869 1.000 0.833 CB 1.273 19 residues pruned to eliminate duplicates Z: 15 24.349 1.940 0.927 0.892 0.929 0.643 CB 1.347 15 residues pruned to eliminate duplicates Z: 102 46.652 2.088 0.788 0.524 0.891 0.644 CB 1.362 103 residues pruned to eliminate duplicates Z: 16 26.219 1.895 0.711 0.892 1.000 0.733 CB 1.500 16 residues pruned to eliminate duplicates Z: 14 22.132 1.870 0.662 0.928 1.000 0.846 CB 1.384 14 residues pruned to eliminate duplicates Z: 11 7.963 1.498 0.631 0.703 0.800 0.400 CB 1.071 11 residues pruned to eliminate duplicates Z: 14 22.129 1.953 0.716 0.877 0.923 0.769 CB 1.441 14 residues pruned to eliminate duplicates Z: 38 20.869 1.944 0.722 0.475 0.865 0.568 CB 1.215 23 residues pruned to eliminate duplicates Z: 42 24.402 2.029 0.743 0.436 0.854 0.512 CB 1.349 42 residues pruned to eliminate duplicates Z: 13 26.746 2.039 1.040 0.876 0.917 0.667 CB 1.472 13 residues pruned to eliminate duplicates Z: 10 3.281 1.593 0.515 0.410 0.556 0.333 CB 0.896 Z: 18 36.949 2.248 0.852 0.755 1.000 0.471 CB 1.715 25 residues pruned to eliminate duplicates Z: 6 6.297 1.420 0.808 0.756 1.000 0.400 CB 0.874 6 residues pruned to eliminate duplicates Z: 37 34.638 2.076 0.763 0.652 0.944 0.611 CB 1.450 20 residues pruned to eliminate duplicates Z: 23 27.357 1.988 0.659 0.791 0.909 0.818 CB 1.506 23 residues pruned to eliminate duplicates Z: 23 24.600 2.019 0.644 0.679 0.955 0.591 CB 1.405 23 residues pruned to eliminate duplicates Z: 55 33.065 1.945 0.765 0.583 0.926 0.593 CB 1.307 55 residues pruned to eliminate duplicates Z: 21 22.571 2.048 0.598 0.808 0.950 0.750 CB 1.241 21 residues pruned to eliminate duplicates Z: 17 20.223 1.752 0.925 0.838 0.938 0.812 CB 1.195 17 residues pruned to eliminate duplicates Z: 16 25.757 2.065 0.681 0.849 0.933 0.733 CB 1.522 16 residues pruned to eliminate duplicates Z: 6 3.054 1.775 0.582 0.534 0.600 0.600 CB 0.784 Z: 19 30.867 1.922 0.897 0.891 0.944 0.833 CB 1.519 19 residues pruned to eliminate duplicates Z: 17 12.146 1.857 0.782 0.479 0.875 0.500 CB 1.071 17 residues pruned to eliminate duplicates Z: 45 42.301 2.138 0.781 0.637 0.955 0.773 CB 1.543 45 residues pruned to eliminate duplicates Z: 17 27.829 1.850 1.087 0.882 0.938 0.438 CB 1.390 17 residues pruned to eliminate duplicates Z: 55 39.714 2.065 0.761 0.596 0.944 0.648 CB 1.436 43 residues pruned to eliminate duplicates Z: 9 11.050 1.830 0.566 0.450 0.875 0.500 CB 1.640 Z: 8 16.682 1.743 0.995 0.828 1.000 0.714 N 1.365 8 residues pruned to eliminate duplicates Z: 15 26.525 2.120 0.628 0.892 1.000 0.857 CB 1.476 15 residues pruned to eliminate duplicates Z: 18 30.372 2.015 1.062 0.853 0.941 0.765 CB 1.392 18 residues pruned to eliminate duplicates Z: 85 46.538 2.102 0.704 0.526 0.952 0.667 CB 1.451 85 residues pruned to eliminate duplicates Z: 18 8.023 1.757 0.537 0.531 0.882 0.471 CB 0.792 Z: 19 32.500 1.992 0.760 0.953 1.000 0.944 CB 1.504 20 residues pruned to eliminate duplicates Z: 16 25.171 2.004 0.801 0.825 0.933 0.533 CB 1.456 16 residues pruned to eliminate duplicates Z: 14 28.107 2.035 0.884 0.850 0.923 0.692 CA 1.632 14 residues pruned to eliminate duplicates Z: 13 23.988 1.914 0.801 0.900 1.000 0.750 CB 1.436 13 residues pruned to eliminate duplicates Z: 22 25.810 2.071 0.786 0.812 0.857 0.667 CB 1.354 22 residues pruned to eliminate duplicates Z: 37 30.200 1.998 0.849 0.655 0.917 0.778 CB 1.287 37 residues pruned to eliminate duplicates Z: 29 13.136 1.886 0.427 0.476 0.821 0.500 CB 1.150 29 residues pruned to eliminate duplicates Z: 75 35.151 2.044 0.841 0.450 0.838 0.581 CB 1.364 75 residues pruned to eliminate duplicates Z: 22 27.706 1.998 0.717 0.818 1.000 0.667 CB 1.337 22 residues pruned to eliminate duplicates Z: 17 23.071 1.961 0.573 0.932 1.000 0.812 CB 1.306 17 residues pruned to eliminate duplicates Z: 105 52.640 2.021 0.828 0.581 0.933 0.644 CB 1.386 75 residues pruned to eliminate duplicates Z: 9 12.044 1.893 0.538 0.748 0.875 0.750 CB 1.340 9 residues pruned to eliminate duplicates Z: 14 16.056 1.720 0.520 0.821 1.000 0.769 CA 1.289 14 residues pruned to eliminate duplicates Z: 21 21.505 1.911 0.601 0.816 0.900 0.700 CB 1.327 21 residues pruned to eliminate duplicates Z: 11 24.152 1.912 0.747 0.863 1.000 0.700 CB 1.677 11 residues pruned to eliminate duplicates Z: 15 23.183 2.077 0.828 0.903 1.000 0.857 CB 1.163 15 residues pruned to eliminate duplicates Z: 7 8.308 1.692 0.695 0.665 0.833 0.500 N 1.218 7 residues pruned to eliminate duplicates Z: 15 24.023 2.008 1.090 0.906 0.857 0.857 CB 1.269 15 residues pruned to eliminate duplicates Z: 27 18.817 1.951 0.807 0.341 0.885 0.500 CB 1.408 27 residues pruned to eliminate duplicates Z: 12 22.987 2.051 0.866 0.718 0.909 0.727 N 1.636 12 residues pruned to eliminate duplicates Z: 15 21.509 1.902 0.767 0.886 0.929 0.857 CB 1.329 Z: 6 2.614 1.516 0.353 0.294 0.600 0.400 N 1.196 Z: 16 21.507 1.823 0.633 0.900 1.000 0.867 CB 1.333 16 residues pruned to eliminate duplicates Z: 14 21.210 1.853 0.645 0.872 0.923 0.846 CB 1.524 14 residues pruned to eliminate duplicates Z: 27 11.179 1.750 0.623 0.325 0.769 0.385 CB 1.215 77 residues pruned to eliminate duplicates Z: 15 26.450 2.122 0.585 0.850 1.000 0.857 CB 1.557 15 residues pruned to eliminate duplicates Z: 15 24.312 2.097 0.765 0.889 0.929 0.857 CB 1.361 15 residues pruned to eliminate duplicates Z: 14 6.682 1.760 0.643 0.330 0.769 0.385 CB 1.004 4 residues pruned to eliminate duplicates Z: 14 19.950 1.932 0.743 0.910 0.923 0.923 CB 1.262 14 residues pruned to eliminate duplicates Z: 12 26.951 1.945 0.929 0.935 1.000 1.000 CB 1.509 12 residues pruned to eliminate duplicates Z: 44 15.967 1.874 0.488 0.411 0.814 0.535 CB 1.178 44 residues pruned to eliminate duplicates Z: 13 24.820 1.961 0.981 0.861 0.917 0.750 CB 1.479 13 residues pruned to eliminate duplicates Z: 19 25.924 1.970 0.745 0.941 1.000 0.722 CB 1.233 Z: 18 28.551 1.987 0.781 0.930 0.941 0.824 CB 1.454 18 residues pruned to eliminate duplicates Z: 18 17.385 1.849 0.641 0.689 0.824 0.412 CB 1.419 Z: 10 8.870 1.981 0.306 0.484 0.889 0.556 CB 1.306 Z: 15 19.133 1.796 0.723 0.873 1.000 0.929 CB 1.204 15 residues pruned to eliminate duplicates Z: 14 24.277 1.884 0.823 0.909 1.000 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 15 24.946 2.015 0.989 0.902 0.857 0.571 CB 1.384 15 residues pruned to eliminate duplicates Z: 22 21.706 1.937 0.683 0.787 0.905 0.714 CB 1.248 22 residues pruned to eliminate duplicates Z: 11 10.713 1.989 0.709 0.360 0.800 0.600 N 1.448 11 residues pruned to eliminate duplicates Z: 19 36.908 2.040 1.151 0.891 1.000 0.722 CB 1.425 18 residues pruned to eliminate duplicates Z: 38 34.078 2.091 0.755 0.646 0.973 0.811 CB 1.369 38 residues pruned to eliminate duplicates Z: 16 27.717 2.035 0.829 0.843 0.933 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 19 25.176 1.939 0.984 0.892 0.889 0.500 CB 1.247 18 residues pruned to eliminate duplicates Z: 21 27.047 1.981 0.844 0.768 0.950 0.750 CB 1.375 21 residues pruned to eliminate duplicates Z: 14 25.087 1.984 0.930 0.911 0.923 0.769 CB 1.394 14 residues pruned to eliminate duplicates Z: 7 10.270 1.923 0.912 0.403 0.833 0.333 N 1.515 Z: 8 7.729 1.890 0.960 0.377 1.000 0.714 CB 0.900 Z: 12 16.710 1.958 0.529 0.752 0.818 0.545 CA 1.643 12 residues pruned to eliminate duplicates Z: 22 25.912 2.004 0.566 0.855 0.952 0.810 CB 1.397 22 residues pruned to eliminate duplicates Z: 15 16.968 1.816 0.482 0.898 1.000 1.000 CB 1.206 15 residues pruned to eliminate duplicates Z: 103 48.807 2.057 0.902 0.470 0.922 0.569 CB 1.382 103 residues pruned to eliminate duplicates Z: 9 15.102 1.718 0.577 0.885 1.000 0.875 O 1.423 9 residues pruned to eliminate duplicates Z: 13 9.581 1.840 0.468 0.473 0.833 0.750 CB 1.263 13 residues pruned to eliminate duplicates Z: 15 26.055 2.090 0.605 0.877 1.000 0.929 CB 1.507 15 residues pruned to eliminate duplicates Z: 15 26.868 1.911 1.098 0.913 0.929 0.571 CB 1.365 15 residues pruned to eliminate duplicates Z: 52 40.526 2.088 0.944 0.648 0.922 0.627 CB 1.322 37 residues pruned to eliminate duplicates Z: 23 10.945 1.799 0.526 0.354 0.773 0.591 CB 1.288 23 residues pruned to eliminate duplicates Z: 55 42.996 2.027 1.020 0.626 0.944 0.556 CB 1.344 52 residues pruned to eliminate duplicates Z: 13 18.792 1.835 0.619 0.904 1.000 0.833 CA 1.301 13 residues pruned to eliminate duplicates Z: 13 23.795 1.931 0.759 0.878 1.000 0.750 CB 1.468 13 residues pruned to eliminate duplicates Z: 14 21.643 1.986 0.669 0.863 0.923 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 9 11.695 1.917 0.822 0.484 1.000 0.750 CB 1.203 Z: 62 41.637 2.096 0.855 0.558 0.951 0.607 CB 1.363 62 residues pruned to eliminate duplicates Z: 9 12.687 1.837 0.808 0.741 0.750 0.250 CB 1.452 9 residues pruned to eliminate duplicates Z: 12 28.321 2.032 1.130 0.900 1.000 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 10 10.613 1.700 0.792 0.487 0.889 0.556 CB 1.323 Z: 13 12.223 1.950 0.714 0.519 0.833 0.583 CB 1.242 13 residues pruned to eliminate duplicates Z: 6 8.810 1.561 0.768 0.844 0.800 0.800 CA 1.328 6 residues pruned to eliminate duplicates Z: 12 20.081 1.637 0.896 0.907 1.000 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 15 28.755 2.107 0.839 0.900 1.000 0.857 CB 1.416 15 residues pruned to eliminate duplicates Z: 102 47.975 2.060 0.730 0.503 0.911 0.594 CB 1.466 102 residues pruned to eliminate duplicates Z: 17 24.389 1.849 0.809 0.850 0.938 0.875 CB 1.440 17 residues pruned to eliminate duplicates Z: 15 22.781 2.111 0.753 0.858 0.929 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 41 19.204 1.896 0.655 0.387 0.850 0.600 CB 1.284 41 residues pruned to eliminate duplicates Z: 14 28.695 1.969 0.970 0.918 1.000 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 9 9.100 1.755 0.305 0.607 0.875 0.875 CB 1.450 8 residues pruned to eliminate duplicates Z: 43 20.140 1.969 0.666 0.436 0.833 0.476 CB 1.214 43 residues pruned to eliminate duplicates Z: 18 25.796 2.025 0.676 0.923 1.000 1.000 CB 1.295 18 residues pruned to eliminate duplicates Z: 40 33.187 2.063 1.011 0.529 0.821 0.615 CB 1.517 40 residues pruned to eliminate duplicates Z: 12 23.633 1.820 0.848 0.885 1.000 0.727 CB 1.529 12 residues pruned to eliminate duplicates Z: 21 18.784 1.887 0.774 0.471 0.950 0.650 CB 1.359 21 residues pruned to eliminate duplicates Z: 50 25.218 2.056 0.803 0.346 0.857 0.551 CB 1.340 50 residues pruned to eliminate duplicates Z: 19 18.415 1.837 0.412 0.888 0.944 0.778 CB 1.277 20 residues pruned to eliminate duplicates Z: 31 27.140 2.084 0.681 0.571 0.867 0.733 CB 1.524 31 residues pruned to eliminate duplicates Z: 7 8.969 1.714 0.746 0.792 1.000 0.833 CB 0.947 Z: 62 30.324 2.018 0.556 0.492 0.967 0.705 CB 1.289 63 residues pruned to eliminate duplicates Z: 8 12.111 1.881 0.654 0.616 1.000 0.714 CB 1.318 Z: 21 18.195 1.956 0.541 0.623 0.950 0.700 CB 1.265 21 residues pruned to eliminate duplicates Z: 14 5.357 1.724 0.259 0.305 0.692 0.462 CB 1.228 Z: 11 9.441 1.857 0.635 0.447 0.900 0.500 CB 1.154 11 residues pruned to eliminate duplicates Z: 16 24.134 1.992 0.498 0.918 1.000 0.933 CB 1.472 16 residues pruned to eliminate duplicates Z: 20 9.812 1.902 0.610 0.241 0.842 0.421 CB 1.179 22 residues pruned to eliminate duplicates Z: 18 27.997 2.011 0.837 0.914 0.941 0.941 CB 1.381 18 residues pruned to eliminate duplicates Z: 14 18.141 1.984 0.890 0.576 1.000 0.769 CB 1.247 14 residues pruned to eliminate duplicates Z: 17 19.733 2.107 0.805 0.683 0.875 0.562 CB 1.253 17 residues pruned to eliminate duplicates Z: 13 28.784 2.094 1.080 0.907 1.000 0.833 CB 1.356 13 residues pruned to eliminate duplicates Z: 11 6.278 1.717 0.937 0.463 0.800 0.600 CB 0.775 Z: 12 10.215 1.908 0.377 0.521 1.000 0.727 CB 1.148 12 residues pruned to eliminate duplicates Z: 14 24.482 2.052 0.918 0.900 0.923 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 18 26.947 1.973 1.278 0.928 1.000 0.824 CB 1.018 18 residues pruned to eliminate duplicates Z: 12 31.321 2.025 1.198 0.919 1.000 0.727 CB 1.495 12 residues pruned to eliminate duplicates Z: 15 20.259 1.874 0.822 0.912 0.929 0.929 CB 1.209 15 residues pruned to eliminate duplicates Z: 21 27.094 2.058 0.779 0.864 0.950 0.750 CB 1.278 21 residues pruned to eliminate duplicates Z: 11 9.851 1.956 0.724 0.471 0.900 0.600 CB 1.057 10 residues pruned to eliminate duplicates Z: 57 36.128 2.011 0.754 0.575 0.929 0.589 CB 1.371 58 residues pruned to eliminate duplicates Z: 27 19.361 2.007 0.387 0.538 0.923 0.654 CB 1.423 27 residues pruned to eliminate duplicates Z: 21 18.007 1.646 0.784 0.806 0.950 0.800 CB 1.105 21 residues pruned to eliminate duplicates Z: 26 15.419 1.894 0.714 0.454 0.800 0.560 CB 1.245 26 residues pruned to eliminate duplicates Z: 18 19.668 1.826 0.685 0.726 0.941 0.588 CB 1.343 17 residues pruned to eliminate duplicates Z: 12 10.981 1.912 0.699 0.304 0.909 0.636 CB 1.394 12 residues pruned to eliminate duplicates Z: 9 7.267 1.830 0.630 0.824 1.000 0.750 CB 0.650 Z: 41 25.145 2.042 0.682 0.427 0.925 0.725 CB 1.350 41 residues pruned to eliminate duplicates Z: 48 26.692 1.932 0.645 0.589 0.894 0.596 CB 1.260 48 residues pruned to eliminate duplicates Z: 7 5.529 1.942 0.281 0.374 0.833 0.833 CB 1.245 7 residues pruned to eliminate duplicates Z: 12 19.267 1.973 0.686 0.861 0.909 0.727 CB 1.412 12 residues pruned to eliminate duplicates Z: 20 32.194 1.938 1.034 0.867 0.947 0.684 CB 1.447 19 residues pruned to eliminate duplicates Z: 11 12.071 1.816 0.459 0.706 1.000 0.900 CB 1.194 11 residues pruned to eliminate duplicates Z: 66 47.710 2.074 1.015 0.584 0.908 0.708 CB 1.439 133 residues pruned to eliminate duplicates Z: 38 40.850 2.179 0.781 0.677 0.973 0.892 CB 1.510 38 residues pruned to eliminate duplicates Z: 14 10.265 1.756 0.567 0.332 0.846 0.615 CB 1.469 14 residues pruned to eliminate duplicates Z: 13 10.286 1.815 0.485 0.415 0.917 0.417 CB 1.313 13 residues pruned to eliminate duplicates Z: 54 40.583 2.086 0.836 0.608 0.943 0.698 CB 1.393 54 residues pruned to eliminate duplicates Z: 19 32.906 1.985 0.879 0.896 1.000 0.944 CB 1.490 20 residues pruned to eliminate duplicates Z: 11 30.210 2.019 0.995 0.894 1.000 0.900 CB 1.701 11 residues pruned to eliminate duplicates Z: 56 34.683 2.032 0.823 0.571 0.927 0.618 CB 1.272 51 residues pruned to eliminate duplicates Z: 6 9.691 1.792 0.329 0.759 1.000 0.800 CB 1.446 6 residues pruned to eliminate duplicates Z: 13 20.003 1.921 0.880 0.799 0.917 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 17 35.986 2.057 1.249 0.787 1.000 0.812 CB 1.511 17 residues pruned to eliminate duplicates Z: 7 3.066 1.678 0.604 0.294 0.500 0.333 CB 1.171 Z: 24 20.734 1.947 0.607 0.599 0.957 0.652 CB 1.314 24 residues pruned to eliminate duplicates Z: 15 18.936 1.796 0.778 0.751 0.857 0.571 N 1.479 15 residues pruned to eliminate duplicates Z: 11 23.142 2.217 1.010 0.879 0.900 0.900 CB 1.323 11 residues pruned to eliminate duplicates Z: 13 11.073 1.928 0.736 0.331 0.833 0.417 CB 1.380 13 residues pruned to eliminate duplicates Z: 14 28.752 2.023 1.160 0.898 0.923 0.692 CB 1.414 14 residues pruned to eliminate duplicates Z: 33 19.307 1.901 1.020 0.469 0.781 0.438 CB 1.173 33 residues pruned to eliminate duplicates Z: 16 8.017 1.735 0.552 0.300 0.800 0.467 CB 1.202 16 residues pruned to eliminate duplicates Z: 19 35.957 2.035 1.065 0.928 1.000 0.833 CB 1.413 19 residues pruned to eliminate duplicates Z: 62 33.143 1.970 0.775 0.537 0.885 0.574 CB 1.322 41 residues pruned to eliminate duplicates Z: 9 8.009 1.796 0.589 0.732 0.750 0.625 CB 1.073 9 residues pruned to eliminate duplicates Z: 24 18.897 1.979 0.796 0.480 0.913 0.522 CB 1.239 24 residues pruned to eliminate duplicates Z: 49 36.928 1.964 0.782 0.646 0.938 0.542 CB 1.417 45 residues pruned to eliminate duplicates Z: 53 22.683 1.974 0.461 0.432 0.942 0.673 CB 1.242 53 residues pruned to eliminate duplicates Z: 7 12.171 1.967 0.527 0.859 1.000 0.833 CB 1.217 7 residues pruned to eliminate duplicates Z: 6 2.186 1.426 -0.237 0.788 1.000 0.600 CB 0.698 Z: 20 31.086 1.900 1.034 0.876 1.000 0.737 CB 1.341 20 residues pruned to eliminate duplicates Z: 7 10.199 1.728 0.745 0.719 1.000 0.833 CB 1.133 7 residues pruned to eliminate duplicates Z: 25 24.666 2.024 0.680 0.725 0.917 0.708 CB 1.319 25 residues pruned to eliminate duplicates Z: 22 28.052 2.032 0.964 0.809 0.905 0.667 CB 1.296 22 residues pruned to eliminate duplicates Z: 15 20.673 1.927 0.560 0.868 0.929 0.857 CB 1.447 15 residues pruned to eliminate duplicates Z: 12 25.694 1.946 0.886 0.908 1.000 0.818 CB 1.499 12 residues pruned to eliminate duplicates Z: 14 21.417 1.896 0.789 0.895 0.923 0.846 CB 1.359 14 residues pruned to eliminate duplicates Z: 18 15.359 1.822 0.735 0.686 0.706 0.529 CB 1.408 18 residues pruned to eliminate duplicates Z: 7 5.222 1.531 0.516 0.384 0.833 0.667 N 1.247 Z: 19 7.131 1.700 0.475 0.275 0.889 0.389 CB 0.973 22 residues pruned to eliminate duplicates Z: 21 21.012 2.033 0.574 0.754 0.850 0.800 CB 1.377 21 residues pruned to eliminate duplicates Z: 16 18.981 1.916 0.786 0.864 0.933 0.733 CB 1.125 16 residues pruned to eliminate duplicates Z: 9 10.736 1.737 0.631 0.838 0.750 0.750 CB 1.335 9 residues pruned to eliminate duplicates Z: 12 24.827 1.898 0.905 0.873 0.909 0.818 CB 1.659 12 residues pruned to eliminate duplicates Z: 14 19.582 1.845 0.702 0.851 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 35 33.352 2.053 0.868 0.670 0.912 0.676 CB 1.398 35 residues pruned to eliminate duplicates Z: 38 28.261 1.889 0.650 0.768 0.919 0.784 CB 1.279 38 residues pruned to eliminate duplicates Z: 75 37.991 2.000 0.733 0.524 0.959 0.770 CB 1.297 75 residues pruned to eliminate duplicates Z: 43 25.888 1.966 0.730 0.442 0.929 0.762 CB 1.343 43 residues pruned to eliminate duplicates Z: 68 38.413 1.931 0.748 0.652 0.925 0.627 CB 1.304 84 residues pruned to eliminate duplicates Z: 15 7.283 1.705 0.605 0.529 0.643 0.286 CB 1.075 15 residues pruned to eliminate duplicates Z: 55 29.739 2.016 0.859 0.399 0.926 0.407 CB 1.297 55 residues pruned to eliminate duplicates Z: 17 15.598 1.889 0.736 0.477 0.875 0.500 CB 1.391 17 residues pruned to eliminate duplicates Z: 9 14.188 1.789 0.489 0.865 1.000 0.625 CB 1.380 9 residues pruned to eliminate duplicates Z: 56 37.815 2.043 0.815 0.604 0.927 0.673 CB 1.343 56 residues pruned to eliminate duplicates Z: 13 15.868 1.813 0.548 0.870 0.917 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 33 19.229 1.876 0.747 0.468 0.844 0.625 CB 1.271 17 residues pruned to eliminate duplicates Z: 18 33.150 2.014 1.137 0.942 0.941 0.706 CB 1.377 18 residues pruned to eliminate duplicates Z: 8 13.171 1.758 0.623 0.855 0.857 0.714 CB 1.503 8 residues pruned to eliminate duplicates Z: 38 24.966 1.958 0.480 0.650 0.973 0.811 CB 1.266 38 residues pruned to eliminate duplicates Z: 14 24.966 1.892 0.993 0.879 1.000 0.692 CB 1.332 14 residues pruned to eliminate duplicates Z: 8 6.149 1.511 0.448 0.679 0.857 0.857 CA 1.051 8 residues pruned to eliminate duplicates Z: 68 44.257 2.098 0.956 0.561 0.910 0.642 CB 1.364 68 residues pruned to eliminate duplicates 7 1.558 1.338 0.530 0.123 0.500 0.333 O 0.997 ? Z: 11 10.416 1.811 0.120 0.833 1.000 0.900 CB 1.218 11 residues pruned to eliminate duplicates Z: 20 14.442 1.684 0.556 0.803 0.737 0.579 CB 1.317 20 residues pruned to eliminate duplicates Z: 32 14.745 1.858 0.605 0.384 0.839 0.387 CB 1.197 32 residues pruned to eliminate duplicates Z: 13 15.866 1.815 0.656 0.812 1.000 0.750 CB 1.162 13 residues pruned to eliminate duplicates Z: 10 4.629 1.638 0.802 0.349 0.778 0.444 CB 0.792 Z: 31 26.929 1.944 0.755 0.560 0.900 0.667 CB 1.510 31 residues pruned to eliminate duplicates Z: 12 29.461 2.027 1.032 0.896 1.000 0.727 CB 1.545 Z: 8 4.905 1.615 0.378 0.465 0.857 0.429 CB 1.007 8 residues pruned to eliminate duplicates Z: 22 26.131 1.990 0.860 0.842 0.810 0.476 CB 1.418 22 residues pruned to eliminate duplicates Z: 8 8.385 1.986 0.467 0.647 0.714 0.571 CB 1.328 Z: 12 12.207 1.846 0.403 0.789 0.909 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 6 5.053 1.760 0.776 0.481 0.800 0.400 CB 0.921 Z: 6 6.754 1.532 0.930 0.492 0.800 0.200 O 1.288 Z: 40 30.691 1.923 0.844 0.602 0.923 0.641 CB 1.363 40 residues pruned to eliminate duplicates Z: 13 9.647 1.832 0.226 0.803 0.917 0.833 CB 1.038 13 residues pruned to eliminate duplicates Z: 13 20.265 1.859 0.621 0.929 1.000 0.917 CA 1.358 13 residues pruned to eliminate duplicates Z: 7 5.420 1.969 1.253 0.881 1.000 0.667 CB 0.361 7 residues pruned to eliminate duplicates Z: 66 32.254 1.991 0.772 0.462 0.908 0.631 CB 1.298 66 residues pruned to eliminate duplicates Z: 20 26.218 1.900 0.941 0.871 0.947 0.789 CB 1.256 20 residues pruned to eliminate duplicates Z: 17 15.963 1.653 0.679 0.806 0.875 0.688 CA 1.258 17 residues pruned to eliminate duplicates Z: 6 10.975 1.792 0.539 0.831 1.000 1.000 CB 1.336 6 residues pruned to eliminate duplicates Z: 8 3.809 1.664 0.204 0.506 0.714 0.429 CB 1.000 Z: 9 12.330 1.882 0.678 0.695 0.875 0.750 N 1.320 9 residues pruned to eliminate duplicates Z: 7 4.159 1.644 0.597 0.390 0.667 0.667 CB 1.089 7 residues pruned to eliminate duplicates Z: 8 6.203 1.658 0.609 0.583 0.857 0.571 CB 0.947 Z: 13 10.638 1.722 0.554 0.806 0.917 0.750 CB 0.959 13 residues pruned to eliminate duplicates Z: 56 36.438 2.050 0.791 0.578 0.909 0.673 CB 1.365 56 residues pruned to eliminate duplicates Z: 17 28.331 1.845 0.885 0.840 1.000 0.875 CB 1.520 17 residues pruned to eliminate duplicates Z: 10 4.217 1.723 0.411 0.479 0.667 0.667 CB 0.886 10 residues pruned to eliminate duplicates Z: 9 8.883 1.713 0.589 0.895 1.000 1.000 CB 0.827 8 residues pruned to eliminate duplicates Z: 81 35.999 1.948 0.688 0.572 0.875 0.650 CB 1.305 58 residues pruned to eliminate duplicates Z: 8 11.673 1.688 0.546 0.807 1.000 0.429 N 1.294 Z: 19 19.293 1.758 0.571 0.790 0.944 0.889 CB 1.351 19 residues pruned to eliminate duplicates Z: 41 21.569 1.967 0.670 0.442 0.925 0.600 CB 1.191 41 residues pruned to eliminate duplicates Z: 10 16.947 2.004 0.314 0.900 1.000 1.000 CB 1.532 Z: 7 4.767 1.621 0.565 0.702 0.833 0.667 CB 0.766 Z: 9 6.418 1.602 0.397 0.531 0.875 0.500 CB 1.124 9 residues pruned to eliminate duplicates Z: 15 11.785 1.968 0.844 0.379 0.857 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 6 3.117 1.786 0.279 0.411 0.800 0.400 CB 0.837 7 residues pruned to eliminate duplicates Z: 53 45.524 2.048 0.945 0.699 0.942 0.788 CB 1.403 61 residues pruned to eliminate duplicates Z: 6 6.859 1.506 0.865 0.763 0.800 0.800 O 1.080 Z: 15 15.316 2.002 0.645 0.612 0.929 0.714 CB 1.203 15 residues pruned to eliminate duplicates Z: 67 29.555 1.964 0.710 0.458 0.879 0.606 CB 1.286 82 residues pruned to eliminate duplicates Z: 10 11.210 1.642 0.871 0.755 0.889 0.778 CB 1.091 10 residues pruned to eliminate duplicates Z: 12 4.189 1.541 0.634 0.419 0.727 0.455 CB 0.750 Z: 12 12.440 1.836 0.564 0.421 0.909 0.455 O 1.559 Z: 6 4.755 1.481 1.134 0.479 0.600 0.400 CB 1.145 Z: 23 19.811 1.707 0.714 0.670 0.864 0.682 CB 1.428 23 residues pruned to eliminate duplicates Z: 14 16.593 1.926 0.853 0.460 0.923 0.615 CB 1.455 14 residues pruned to eliminate duplicates Z: 8 4.884 1.613 0.390 0.326 0.857 0.286 CB 1.163 Z: 17 30.833 2.022 1.119 0.921 0.938 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 37 40.765 2.071 1.020 0.714 0.972 0.750 CB 1.376 38 residues pruned to eliminate duplicates Z: 8 4.212 1.765 0.350 0.339 0.571 0.429 N 1.393 8 residues pruned to eliminate duplicates Z: 18 17.551 1.878 0.504 0.713 0.882 0.647 CB 1.408 18 residues pruned to eliminate duplicates Z: 6 2.238 1.920 0.631 0.450 0.600 0.400 CB 0.561 Z: 13 20.231 1.911 0.749 0.778 1.000 0.833 CB 1.368 13 residues pruned to eliminate duplicates Z: 11 6.478 1.929 0.745 0.511 0.800 0.800 CB 0.753 Z: 55 36.460 2.096 0.963 0.537 0.870 0.574 CB 1.336 55 residues pruned to eliminate duplicates Z: 12 13.838 1.851 0.567 0.814 0.909 0.545 CB 1.204 12 residues pruned to eliminate duplicates Z: 6 4.445 1.655 0.637 0.779 0.800 0.600 CB 0.717 Z: 36 35.716 2.020 0.926 0.685 0.943 0.714 CB 1.389 36 residues pruned to eliminate duplicates Z: 6 2.833 1.412 1.095 0.321 0.600 0.400 CB 0.870 Z: 35 30.818 1.947 0.984 0.651 0.912 0.618 CB 1.304 35 residues pruned to eliminate duplicates Z: 14 15.874 1.996 0.705 0.647 0.923 0.692 CB 1.222 14 residues pruned to eliminate duplicates 6 1.991 1.350 1.237 0.411 0.600 0.600 CB 0.539 ? Z: 6 4.519 1.469 0.690 0.504 0.800 0.400 CB 1.013 6 1.684 1.540 0.864 0.805 0.800 0.600 CB 0.251 ? Z: 50 24.590 1.918 0.743 0.451 0.918 0.531 CB 1.203 51 residues pruned to eliminate duplicates Z: 29 18.163 1.893 0.833 0.464 0.857 0.536 CB 1.197 29 residues pruned to eliminate duplicates Z: 19 31.525 1.960 0.725 0.915 1.000 0.778 CB 1.553 19 residues pruned to eliminate duplicates Z: 8 11.459 1.745 0.505 0.800 0.857 0.714 CB 1.481 Z: 7 6.023 1.713 0.174 0.700 1.000 0.500 CB 1.019 Z: 11 3.892 1.651 0.555 0.189 0.700 0.400 CB 0.994 Z: 50 34.918 2.062 0.801 0.595 0.898 0.673 CB 1.366 50 residues pruned to eliminate duplicates Z: 7 2.880 1.859 0.539 0.712 0.833 0.667 CB 0.407 Z: 8 16.086 1.753 0.784 0.816 1.000 0.857 CB 1.477 8 residues pruned to eliminate duplicates Z: 19 22.115 2.124 0.729 0.754 0.778 0.556 CB 1.455 19 residues pruned to eliminate duplicates Z: 9 11.135 1.924 0.512 0.748 0.875 0.500 CB 1.239 9 residues pruned to eliminate duplicates Z: 20 24.310 2.149 0.762 0.595 0.895 0.632 CB 1.503 20 residues pruned to eliminate duplicates Z: 29 15.980 1.851 0.672 0.379 0.857 0.607 CB 1.296 29 residues pruned to eliminate duplicates Z: 9 6.347 1.866 0.686 0.391 0.750 0.500 CB 1.067 9 residues pruned to eliminate duplicates Z: 6 6.844 1.989 0.985 0.868 1.000 0.800 CB 0.567 6 residues pruned to eliminate duplicates Z: 14 10.944 1.727 0.397 0.809 0.923 0.692 CB 1.041 14 residues pruned to eliminate duplicates Z: 7 13.889 1.691 0.884 0.854 1.000 0.833 CB 1.314 7 residues pruned to eliminate duplicates Z: 11 14.619 1.809 0.712 0.787 0.800 0.500 CB 1.450 11 residues pruned to eliminate duplicates Z: 7 7.219 1.537 0.937 0.603 0.833 0.500 CA 1.077 7 residues pruned to eliminate duplicates Z: 18 14.276 1.852 0.843 0.396 0.824 0.412 CB 1.375 23 residues pruned to eliminate duplicates Z: 23 21.199 1.965 0.747 0.559 0.864 0.682 CB 1.440 23 residues pruned to eliminate duplicates Z: 28 21.845 1.951 0.785 0.480 0.963 0.704 CB 1.279 28 residues pruned to eliminate duplicates Z: 13 26.731 2.050 1.118 0.927 0.917 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 33 26.179 1.913 0.760 0.580 0.906 0.562 CB 1.404 33 residues pruned to eliminate duplicates Z: 10 4.643 1.636 0.426 0.327 0.778 0.556 N 1.031 Z: 10 5.115 1.825 0.557 0.375 0.778 0.556 CB 0.882 10 residues pruned to eliminate duplicates Z: 13 5.009 1.549 0.512 0.370 0.667 0.500 CB 1.064 13 residues pruned to eliminate duplicates Z: 26 17.304 1.905 0.395 0.498 0.960 0.800 CB 1.360 26 residues pruned to eliminate duplicates Z: 14 10.544 1.689 0.544 0.731 0.846 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 50 36.108 2.048 0.705 0.565 0.918 0.735 CB 1.510 50 residues pruned to eliminate duplicates Z: 20 22.417 1.982 0.589 0.589 1.000 0.789 CB 1.499 20 residues pruned to eliminate duplicates Z: 7 2.838 1.369 0.387 0.399 0.833 0.667 N 0.815 Z: 27 27.669 2.121 0.782 0.572 0.923 0.577 CB 1.451 27 residues pruned to eliminate duplicates Z: 8 7.400 1.896 0.948 0.397 0.714 0.429 CB 1.182 8 residues pruned to eliminate duplicates Z: 6 4.738 1.671 0.788 0.562 0.800 0.600 CB 0.835 Z: 20 16.274 1.796 0.671 0.551 0.895 0.579 CB 1.323 20 residues pruned to eliminate duplicates Z: 9 7.254 1.658 0.781 0.507 0.750 0.625 CB 1.150 9 residues pruned to eliminate duplicates Z: 25 16.237 1.965 0.637 0.489 0.833 0.792 CB 1.250 35 residues pruned to eliminate duplicates Z: 22 8.789 1.819 0.648 0.336 0.762 0.524 CB 1.004 22 residues pruned to eliminate duplicates Z: 9 6.294 1.687 0.345 0.479 0.875 0.625 CB 1.145 6 1.709 1.544 0.128 0.547 0.600 0.400 CB 0.698 ? Z: 19 18.258 1.989 0.632 0.563 0.944 0.611 CB 1.321 19 residues pruned to eliminate duplicates Z: 6 3.968 1.651 0.990 0.649 0.600 0.400 CB 0.784 Z: 11 8.546 1.955 0.509 0.328 0.700 0.300 CB 1.580 11 residues pruned to eliminate duplicates Z: 22 13.447 1.916 0.669 0.442 0.857 0.619 CB 1.137 22 residues pruned to eliminate duplicates Z: 20 17.447 2.042 0.710 0.347 0.947 0.632 CB 1.429 20 residues pruned to eliminate duplicates Z: 49 26.687 1.984 0.744 0.452 0.917 0.562 CB 1.275 49 residues pruned to eliminate duplicates Z: 19 15.551 1.826 0.516 0.679 0.944 0.944 CB 1.188 19 residues pruned to eliminate duplicates 7 1.672 1.473 0.208 0.562 0.833 0.500 CB 0.433 ? Z: 8 7.917 1.918 1.125 0.851 1.000 0.714 CB 0.543 Z: 19 32.039 1.975 0.758 0.897 1.000 0.722 CB 1.557 19 residues pruned to eliminate duplicates Z: 50 37.958 2.070 0.848 0.590 0.898 0.612 CB 1.449 50 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 11.001 1.884 0.756 0.495 0.818 0.636 CB 1.232 12 residues pruned to eliminate duplicates Z: 21 16.529 1.895 0.510 0.559 0.800 0.600 CB 1.524 21 residues pruned to eliminate duplicates Z: 21 14.403 1.992 0.475 0.562 0.900 0.700 CB 1.148 21 residues pruned to eliminate duplicates Z: 12 13.971 2.010 0.761 0.732 0.818 0.727 CB 1.181 12 residues pruned to eliminate duplicates Z: 14 14.378 2.021 0.844 0.669 0.846 0.692 CB 1.081 14 residues pruned to eliminate duplicates Z: 32 24.228 2.055 0.591 0.668 0.903 0.774 CB 1.262 32 residues pruned to eliminate duplicates Z: 14 15.448 2.044 0.546 0.694 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 24 15.314 1.995 0.460 0.558 0.870 0.609 CB 1.192 24 residues pruned to eliminate duplicates Z: 26 18.351 2.050 0.536 0.593 0.880 0.640 CB 1.211 26 residues pruned to eliminate duplicates Z: 58 28.912 2.060 0.677 0.498 0.877 0.684 CB 1.267 58 residues pruned to eliminate duplicates Z: 18 12.361 2.026 0.251 0.527 0.941 0.647 CB 1.224 18 residues pruned to eliminate duplicates Z: 52 23.474 1.978 0.505 0.441 0.902 0.627 CB 1.301 52 residues pruned to eliminate duplicates Z: 19 18.450 2.105 0.650 0.636 0.889 0.778 CB 1.240 19 residues pruned to eliminate duplicates Z: 28 15.829 1.939 0.458 0.505 0.889 0.667 CB 1.206 28 residues pruned to eliminate duplicates Z: 47 26.547 2.048 0.731 0.457 0.935 0.652 CB 1.235 47 residues pruned to eliminate duplicates Z: 28 18.843 2.015 0.524 0.507 0.889 0.704 CB 1.319 28 residues pruned to eliminate duplicates Z: 28 21.609 1.973 0.825 0.455 0.852 0.593 CB 1.419 28 residues pruned to eliminate duplicates Z: 25 16.873 1.914 0.769 0.527 0.833 0.625 CB 1.188 25 residues pruned to eliminate duplicates Z: 27 21.230 2.016 0.767 0.528 0.885 0.615 CB 1.285 27 residues pruned to eliminate duplicates Z: 24 19.613 2.061 0.729 0.558 0.870 0.696 CB 1.247 24 residues pruned to eliminate duplicates Z: 28 19.583 1.926 0.772 0.535 0.852 0.519 CB 1.253 28 residues pruned to eliminate duplicates Z: 28 16.918 1.918 0.655 0.492 0.852 0.667 CB 1.214 28 residues pruned to eliminate duplicates Z: 43 21.513 1.951 0.761 0.446 0.810 0.500 CB 1.262 43 residues pruned to eliminate duplicates Z: 28 28.564 2.070 0.987 0.618 0.889 0.556 CB 1.345 28 residues pruned to eliminate duplicates Z: 24 19.505 2.003 0.914 0.579 0.870 0.565 CB 1.130 24 residues pruned to eliminate duplicates Z: 22 23.307 2.069 0.857 0.605 0.905 0.429 CB 1.325 22 residues pruned to eliminate duplicates Z: 18 20.989 2.096 0.783 0.638 0.882 0.706 CB 1.356 18 residues pruned to eliminate duplicates Z: 49 23.202 2.026 0.704 0.378 0.833 0.542 CB 1.325 49 residues pruned to eliminate duplicates Z: 68 35.564 2.108 0.649 0.481 0.925 0.716 CB 1.377 68 residues pruned to eliminate duplicates Z: 34 24.168 2.057 0.805 0.470 0.879 0.576 CB 1.329 34 residues pruned to eliminate duplicates Z: 24 19.148 2.068 0.720 0.353 0.957 0.609 CB 1.376 24 residues pruned to eliminate duplicates Z: 23 11.686 2.018 0.406 0.231 0.909 0.409 CB 1.321 23 residues pruned to eliminate duplicates Z: 19 9.677 1.981 0.416 0.244 0.778 0.556 CB 1.405 19 residues pruned to eliminate duplicates Z: 30 16.116 1.985 0.811 0.266 0.828 0.552 CB 1.313 30 residues pruned to eliminate duplicates Z: 34 20.443 2.000 0.663 0.388 0.879 0.636 CB 1.371 34 residues pruned to eliminate duplicates Z: 49 22.740 1.961 0.767 0.364 0.917 0.625 CB 1.196 49 residues pruned to eliminate duplicates Z: 14 20.057 2.094 1.049 0.393 0.923 0.615 CB 1.573 14 residues pruned to eliminate duplicates Z: 26 20.721 2.068 0.838 0.332 0.960 0.600 CB 1.365 26 residues pruned to eliminate duplicates Z: 36 30.347 2.077 0.889 0.499 0.914 0.743 CB 1.431 36 residues pruned to eliminate duplicates Z: 25 16.485 1.986 0.714 0.311 0.917 0.500 CB 1.330 25 residues pruned to eliminate duplicates Z: 86 46.455 2.083 0.711 0.552 0.953 0.694 CB 1.411 86 residues pruned to eliminate duplicates Z: 51 28.237 2.001 0.745 0.381 0.900 0.600 CB 1.443 51 residues pruned to eliminate duplicates Z: 47 27.487 2.051 0.885 0.420 0.848 0.674 CB 1.345 47 residues pruned to eliminate duplicates Z: 54 28.558 1.931 0.916 0.379 0.849 0.528 CB 1.421 54 residues pruned to eliminate duplicates Z: 30 18.677 1.986 0.862 0.306 0.793 0.552 CB 1.467 30 residues pruned to eliminate duplicates Z: 51 19.255 1.931 0.649 0.325 0.860 0.560 CB 1.205 51 residues pruned to eliminate duplicates Z: 48 32.406 2.083 0.792 0.431 0.894 0.617 CB 1.522 48 residues pruned to eliminate duplicates Z: 56 24.506 2.039 0.688 0.403 0.836 0.564 CB 1.271 56 residues pruned to eliminate duplicates Z: 53 30.430 2.023 0.805 0.398 0.923 0.577 CB 1.394 53 residues pruned to eliminate duplicates Z: 32 19.864 2.051 0.699 0.322 0.903 0.548 CB 1.380 32 residues pruned to eliminate duplicates Z: 29 18.737 1.986 0.664 0.337 0.929 0.607 CB 1.379 29 residues pruned to eliminate duplicates Z: 31 20.231 1.962 0.848 0.318 0.867 0.633 CB 1.437 31 residues pruned to eliminate duplicates Z: 116 44.988 2.010 0.716 0.497 0.913 0.617 CB 1.336 116 residues pruned to eliminate duplicates Z: 31 28.376 2.129 0.826 0.547 0.900 0.733 CB 1.414 31 residues pruned to eliminate duplicates Z: 28 27.696 2.199 0.681 0.583 0.852 0.630 CB 1.563 28 residues pruned to eliminate duplicates Z: 23 34.245 2.234 0.793 0.630 0.955 0.773 CB 1.690 23 residues pruned to eliminate duplicates Z: 44 40.198 2.151 0.768 0.670 0.930 0.814 CB 1.481 44 residues pruned to eliminate duplicates Z: 42 43.115 2.173 0.833 0.663 0.951 0.780 CB 1.527 42 residues pruned to eliminate duplicates Z: 46 30.034 2.126 0.767 0.413 0.911 0.556 CB 1.433 46 residues pruned to eliminate duplicates Z: 25 29.917 2.163 0.787 0.591 0.875 0.708 CB 1.655 25 residues pruned to eliminate duplicates Z: 42 39.460 2.168 0.722 0.658 0.927 0.780 CB 1.538 42 residues pruned to eliminate duplicates Z: 68 43.498 2.138 0.896 0.498 0.925 0.687 CB 1.419 68 residues pruned to eliminate duplicates Z: 22 35.905 2.234 0.898 0.661 0.952 0.810 CB 1.671 22 residues pruned to eliminate duplicates Z: 82 37.285 2.083 0.769 0.474 0.877 0.593 CB 1.317 82 residues pruned to eliminate duplicates Z: 53 39.043 2.127 0.733 0.601 0.942 0.673 CB 1.416 53 residues pruned to eliminate duplicates Z: 97 51.397 2.125 0.818 0.550 0.917 0.729 CB 1.411 97 residues pruned to eliminate duplicates Z: 34 27.882 2.125 0.827 0.501 0.909 0.667 CB 1.374 34 residues pruned to eliminate duplicates Z: 68 43.623 2.090 0.919 0.512 0.940 0.612 CB 1.397 68 residues pruned to eliminate duplicates Z: 27 30.334 2.117 0.947 0.598 0.923 0.731 CB 1.425 27 residues pruned to eliminate duplicates Z: 50 33.028 2.104 0.811 0.449 0.898 0.592 CB 1.453 50 residues pruned to eliminate duplicates Z: 62 49.970 2.131 0.821 0.638 0.934 0.639 CB 1.551 62 residues pruned to eliminate duplicates Z: 67 37.170 2.112 0.821 0.492 0.879 0.621 CB 1.364 67 residues pruned to eliminate duplicates Z: 43 31.799 2.132 0.894 0.479 0.881 0.548 CB 1.409 43 residues pruned to eliminate duplicates Z: 67 42.989 2.104 0.871 0.494 0.939 0.667 CB 1.439 67 residues pruned to eliminate duplicates Z: 68 38.952 2.126 0.822 0.504 0.896 0.612 CB 1.367 68 residues pruned to eliminate duplicates Z: 69 40.629 2.130 0.779 0.528 0.897 0.721 CB 1.410 69 residues pruned to eliminate duplicates Z: 76 45.691 2.102 0.840 0.551 0.933 0.640 CB 1.391 76 residues pruned to eliminate duplicates Z: 87 43.281 2.056 0.748 0.539 0.907 0.535 CB 1.378 87 residues pruned to eliminate duplicates Z: 85 43.542 2.087 0.906 0.483 0.845 0.524 CB 1.438 140 residues pruned to eliminate duplicates Z: 6 5.868 1.426 0.957 0.602 1.000 0.600 CB 0.853 Z: 6 2.674 1.532 0.686 0.278 1.000 0.400 N 0.595 12 residues pruned to eliminate duplicates Z: 117 60.946 2.121 0.942 0.512 0.931 0.638 CB 1.458 117 residues pruned to eliminate duplicates Z: 34 29.542 2.019 0.915 0.551 0.909 0.515 CB 1.393 34 residues pruned to eliminate duplicates Z: 37 39.614 2.163 0.849 0.665 0.917 0.694 CB 1.546 37 residues pruned to eliminate duplicates Z: 69 44.774 2.126 0.908 0.528 0.897 0.706 CB 1.451 69 residues pruned to eliminate duplicates Z: 85 57.633 2.124 1.000 0.569 0.917 0.607 CB 1.511 85 residues pruned to eliminate duplicates Z: 70 45.161 2.121 0.895 0.541 0.870 0.609 CB 1.494 70 residues pruned to eliminate duplicates Z: 20 31.309 2.154 0.975 0.668 0.947 0.684 CB 1.526 20 residues pruned to eliminate duplicates Z: 45 43.152 2.157 0.881 0.669 0.955 0.795 CB 1.437 45 residues pruned to eliminate duplicates Z: 51 39.586 2.108 0.904 0.589 0.940 0.580 CB 1.363 51 residues pruned to eliminate duplicates Z: 130 54.506 2.079 0.879 0.484 0.899 0.597 CB 1.388 130 residues pruned to eliminate duplicates Z: 45 45.683 2.171 0.986 0.617 0.955 0.705 CB 1.498 45 residues pruned to eliminate duplicates Z: 79 51.756 2.130 0.830 0.577 0.910 0.628 CB 1.533 79 residues pruned to eliminate duplicates Z: 60 51.005 2.107 0.883 0.606 0.966 0.610 CB 1.566 60 residues pruned to eliminate duplicates Z: 75 49.458 2.115 0.986 0.534 0.892 0.635 CB 1.483 75 residues pruned to eliminate duplicates Z: 55 47.606 2.129 1.008 0.560 0.889 0.630 CB 1.609 55 residues pruned to eliminate duplicates Z: 123 56.753 2.060 0.909 0.475 0.926 0.574 CB 1.447 123 residues pruned to eliminate duplicates Z: 79 51.607 2.118 0.944 0.562 0.923 0.615 CB 1.448 79 residues pruned to eliminate duplicates Z: 38 40.965 2.116 1.174 0.601 0.919 0.676 CB 1.447 38 residues pruned to eliminate duplicates Z: 39 34.351 2.091 0.991 0.482 0.868 0.658 CB 1.570 39 residues pruned to eliminate duplicates Z: 32 38.282 2.119 1.141 0.656 0.935 0.548 CB 1.401 32 residues pruned to eliminate duplicates Z: 48 43.368 2.142 0.920 0.588 0.915 0.638 CB 1.546 48 residues pruned to eliminate duplicates Z: 18 21.010 2.038 0.935 0.585 0.824 0.647 CB 1.447 18 residues pruned to eliminate duplicates Z: 111 53.137 2.112 0.859 0.538 0.873 0.600 CB 1.425 111 residues pruned to eliminate duplicates Z: 55 40.168 2.118 0.849 0.517 0.870 0.500 CB 1.577 55 residues pruned to eliminate duplicates Z: 86 52.000 2.116 0.896 0.524 0.941 0.553 CB 1.459 86 residues pruned to eliminate duplicates Z: 37 41.668 2.143 1.058 0.626 0.917 0.556 CB 1.526 37 residues pruned to eliminate duplicates Z: 47 38.721 2.083 1.057 0.530 0.848 0.478 CB 1.527 47 residues pruned to eliminate duplicates Z: 44 37.102 2.056 0.926 0.498 0.860 0.535 CB 1.664 44 residues pruned to eliminate duplicates Z: 68 46.008 2.070 0.942 0.544 0.896 0.582 CB 1.496 68 residues pruned to eliminate duplicates Z: 17 25.711 2.100 1.011 0.590 0.875 0.625 CB 1.596 17 residues pruned to eliminate duplicates Z: 84 54.710 2.147 0.978 0.574 0.904 0.675 CB 1.457 84 residues pruned to eliminate duplicates Z: 34 31.499 2.132 1.060 0.483 0.758 0.576 CB 1.675 34 residues pruned to eliminate duplicates Z: 38 38.717 2.135 1.004 0.524 0.892 0.541 CB 1.629 38 residues pruned to eliminate duplicates Z: 32 33.709 2.190 0.960 0.541 0.839 0.677 CB 1.616 32 residues pruned to eliminate duplicates Z: 36 36.338 2.136 0.798 0.560 0.914 0.629 CB 1.650 36 residues pruned to eliminate duplicates Z: 56 47.986 2.144 1.049 0.585 0.855 0.691 CB 1.588 56 residues pruned to eliminate duplicates Z: 25 15.065 1.952 0.708 0.411 0.792 0.458 CB 1.279 25 residues pruned to eliminate duplicates Z: 89 39.815 2.047 0.833 0.497 0.841 0.602 CB 1.349 89 residues pruned to eliminate duplicates Z: 34 37.039 2.140 0.885 0.540 0.939 0.545 CB 1.635 34 residues pruned to eliminate duplicates Z: 49 33.377 2.031 0.832 0.494 0.896 0.583 CB 1.454 49 residues pruned to eliminate duplicates Z: 37 31.365 2.074 0.862 0.515 0.861 0.500 CB 1.548 37 residues pruned to eliminate duplicates Z: 53 42.280 2.063 0.966 0.523 0.865 0.519 CB 1.632 53 residues pruned to eliminate duplicates Z: 37 36.545 2.076 0.988 0.556 0.889 0.611 CB 1.573 37 residues pruned to eliminate duplicates Z: 55 42.450 2.097 0.868 0.555 0.907 0.593 CB 1.540 55 residues pruned to eliminate duplicates Z: 44 22.708 1.927 0.833 0.419 0.860 0.465 CB 1.239 44 residues pruned to eliminate duplicates Z: 68 28.796 1.960 0.748 0.393 0.836 0.522 CB 1.376 68 residues pruned to eliminate duplicates Z: 16 9.170 1.844 0.475 0.340 0.800 0.333 CB 1.296 16 residues pruned to eliminate duplicates Z: 18 15.479 1.955 0.712 0.512 0.824 0.529 CB 1.346 18 residues pruned to eliminate duplicates Z: 21 17.095 1.925 0.712 0.435 1.000 0.450 CB 1.241 21 residues pruned to eliminate duplicates Z: 22 13.781 1.895 0.587 0.408 0.952 0.476 CB 1.155 22 residues pruned to eliminate duplicates Z: 30 24.119 1.960 0.806 0.446 0.966 0.517 CB 1.386 30 residues pruned to eliminate duplicates Z: 60 30.363 2.010 0.734 0.452 0.881 0.525 CB 1.352 60 residues pruned to eliminate duplicates Z: 81 46.865 2.042 0.923 0.532 0.925 0.600 CB 1.398 81 residues pruned to eliminate duplicates Z: 44 21.462 1.937 0.792 0.445 0.884 0.512 CB 1.130 44 residues pruned to eliminate duplicates Z: 44 24.096 1.932 0.802 0.389 0.930 0.512 CB 1.277 44 residues pruned to eliminate duplicates Z: 21 9.997 1.856 0.525 0.319 0.850 0.550 CB 1.135 21 residues pruned to eliminate duplicates Z: 19 10.834 1.966 0.875 0.329 0.778 0.611 CB 1.074 19 residues pruned to eliminate duplicates Z: 53 22.826 1.949 0.605 0.460 0.846 0.519 CB 1.246 53 residues pruned to eliminate duplicates Z: 23 14.606 1.902 0.688 0.371 0.818 0.409 CB 1.361 23 residues pruned to eliminate duplicates Z: 23 12.061 1.923 0.831 0.320 0.864 0.455 CB 1.031 23 residues pruned to eliminate duplicates Z: 11 8.986 1.876 0.707 0.348 0.900 0.500 CB 1.163 11 residues pruned to eliminate duplicates Z: 10 9.965 1.936 0.747 0.482 0.889 0.667 CB 1.125 10 residues pruned to eliminate duplicates Z: 16 12.207 1.976 0.651 0.440 0.933 0.533 CB 1.101 16 residues pruned to eliminate duplicates Z: 59 28.864 1.991 0.762 0.494 0.879 0.586 CB 1.236 59 residues pruned to eliminate duplicates Z: 21 6.124 1.853 0.426 0.289 0.700 0.400 CB 0.939 21 residues pruned to eliminate duplicates Z: 92 43.051 2.049 0.774 0.509 0.923 0.560 CB 1.333 92 residues pruned to eliminate duplicates Z: 38 20.666 1.971 0.753 0.409 0.892 0.622 CB 1.213 38 residues pruned to eliminate duplicates Z: 37 19.013 2.021 0.598 0.407 0.833 0.444 CB 1.298 37 residues pruned to eliminate duplicates Z: 41 26.885 2.031 0.707 0.541 0.925 0.675 CB 1.273 41 residues pruned to eliminate duplicates Z: 42 26.737 2.048 0.712 0.530 0.902 0.610 CB 1.281 42 residues pruned to eliminate duplicates Z: 54 32.398 2.022 0.708 0.565 0.925 0.698 CB 1.309 54 residues pruned to eliminate duplicates Z: 53 32.392 2.066 0.696 0.583 0.942 0.692 CB 1.256 53 residues pruned to eliminate duplicates Z: 185 59.166 2.047 0.798 0.470 0.902 0.538 CB 1.355 185 residues pruned to eliminate duplicates Z: 22 22.157 2.012 0.546 0.813 0.857 0.762 CB 1.381 22 residues pruned to eliminate duplicates Z: 46 27.032 1.897 0.796 0.495 0.867 0.600 CB 1.371 38 residues pruned to eliminate duplicates Z: 21 22.294 1.963 0.614 0.808 0.900 0.650 CB 1.336 21 residues pruned to eliminate duplicates Z: 59 33.635 2.032 0.706 0.559 0.931 0.672 CB 1.293 59 residues pruned to eliminate duplicates Z: 92 48.562 2.070 0.846 0.540 0.912 0.626 CB 1.405 102 residues pruned to eliminate duplicates Z: 22 22.728 2.053 0.573 0.774 0.905 0.762 CB 1.333 22 residues pruned to eliminate duplicates Z: 54 34.353 2.070 0.755 0.538 0.925 0.604 CB 1.354 54 residues pruned to eliminate duplicates Z: 58 28.720 1.986 0.624 0.529 0.895 0.579 CB 1.281 58 residues pruned to eliminate duplicates Z: 41 24.467 2.047 0.752 0.522 0.825 0.550 CB 1.280 41 residues pruned to eliminate duplicates Z: 54 37.171 2.065 0.804 0.572 0.962 0.642 CB 1.329 54 residues pruned to eliminate duplicates Z: 25 24.757 2.057 0.650 0.668 0.875 0.625 CB 1.457 25 residues pruned to eliminate duplicates Z: 74 37.214 2.050 0.654 0.538 0.932 0.671 CB 1.328 74 residues pruned to eliminate duplicates Z: 55 35.187 2.058 0.828 0.558 0.926 0.648 CB 1.299 55 residues pruned to eliminate duplicates Z: 55 32.874 2.057 0.704 0.560 0.907 0.648 CB 1.327 55 residues pruned to eliminate duplicates Z: 52 34.319 2.080 0.691 0.572 0.961 0.725 CB 1.327 52 residues pruned to eliminate duplicates Z: 29 29.528 1.935 0.848 0.705 0.893 0.679 CB 1.450 29 residues pruned to eliminate duplicates Z: 37 31.210 2.078 0.664 0.637 0.972 0.694 CB 1.361 37 residues pruned to eliminate duplicates Z: 74 35.957 2.046 0.660 0.537 0.890 0.644 CB 1.341 74 residues pruned to eliminate duplicates Z: 58 29.771 2.019 0.688 0.533 0.912 0.702 CB 1.227 58 residues pruned to eliminate duplicates Z: 36 33.094 2.125 0.656 0.687 0.914 0.657 CB 1.465 36 residues pruned to eliminate duplicates Z: 6 6.282 1.562 0.263 0.820 1.000 0.800 CA 1.079 6 residues pruned to eliminate duplicates Z: 53 35.313 2.052 0.767 0.587 0.923 0.635 CB 1.346 53 residues pruned to eliminate duplicates Z: 36 37.054 2.115 0.734 0.681 1.000 0.629 CB 1.447 36 residues pruned to eliminate duplicates Z: 8 9.087 2.014 0.998 0.326 0.857 0.429 CB 1.205 8 residues pruned to eliminate duplicates Z: 54 36.682 2.061 0.839 0.572 0.962 0.547 CB 1.289 54 residues pruned to eliminate duplicates Z: 53 33.024 2.040 0.748 0.521 0.885 0.538 CB 1.422 53 residues pruned to eliminate duplicates Z: 53 37.725 2.063 0.840 0.604 0.962 0.596 CB 1.298 53 residues pruned to eliminate duplicates Z: 55 34.611 2.056 0.765 0.553 0.944 0.685 CB 1.305 55 residues pruned to eliminate duplicates Z: 11 10.405 1.867 0.950 0.384 0.700 0.400 N 1.460 11 residues pruned to eliminate duplicates Z: 37 28.528 2.058 0.591 0.635 0.889 0.639 CB 1.439 37 residues pruned to eliminate duplicates Z: 52 34.108 2.071 0.668 0.593 0.941 0.647 CB 1.343 52 residues pruned to eliminate duplicates Z: 42 29.262 1.967 0.819 0.566 0.854 0.512 CB 1.403 Z: 6 6.703 1.540 1.046 0.485 1.000 0.600 N 0.966 6 residues pruned to eliminate duplicates Z: 39 33.268 2.022 0.935 0.568 0.895 0.658 CB 1.444 42 residues pruned to eliminate duplicates Z: 13 21.059 2.163 0.624 0.621 0.917 0.583 N 1.685 13 residues pruned to eliminate duplicates Z: 18 26.348 2.245 0.711 0.630 0.882 0.529 CB 1.669 19 residues pruned to eliminate duplicates Z: 12 23.134 1.981 0.728 0.779 1.000 0.636 CA 1.593 12 residues pruned to eliminate duplicates Z: 19 26.204 2.186 0.925 0.661 0.833 0.611 CB 1.518 19 residues pruned to eliminate duplicates Z: 51 47.141 2.117 0.844 0.685 0.960 0.680 CB 1.502 38 residues pruned to eliminate duplicates Z: 9 24.758 2.188 0.962 0.807 1.000 0.750 CA 1.560 9 residues pruned to eliminate duplicates Z: 50 42.292 2.065 0.875 0.612 0.939 0.714 CB 1.495 49 residues pruned to eliminate duplicates Z: 19 29.411 2.198 0.661 0.721 0.944 0.556 CB 1.646 19 residues pruned to eliminate duplicates Z: 44 41.772 2.112 0.715 0.703 0.977 0.628 CB 1.496 44 residues pruned to eliminate duplicates Z: 35 45.255 2.210 0.848 0.735 0.971 0.735 CB 1.586 35 residues pruned to eliminate duplicates Z: 40 41.735 2.132 0.778 0.738 0.949 0.821 CB 1.501 40 residues pruned to eliminate duplicates Z: 44 46.446 2.119 0.879 0.704 0.977 0.651 CB 1.512 44 residues pruned to eliminate duplicates Z: 43 45.093 2.131 0.803 0.737 0.976 0.738 CB 1.499 43 residues pruned to eliminate duplicates Z: 44 46.077 2.124 0.869 0.719 0.977 0.744 CB 1.486 44 residues pruned to eliminate duplicates Z: 24 29.990 2.013 0.888 0.816 0.957 0.739 CB 1.307 24 residues pruned to eliminate duplicates Z: 50 35.335 2.022 0.749 0.560 0.898 0.694 CB 1.499 50 residues pruned to eliminate duplicates Z: 29 27.259 1.986 0.519 0.736 1.000 0.821 CB 1.382 29 residues pruned to eliminate duplicates Z: 39 42.952 2.142 0.791 0.714 0.947 0.737 CB 1.579 39 residues pruned to eliminate duplicates Z: 38 38.984 2.148 0.819 0.678 0.919 0.703 CB 1.516 38 residues pruned to eliminate duplicates Z: 25 27.833 2.120 0.651 0.644 0.958 0.583 CB 1.481 25 residues pruned to eliminate duplicates Z: 40 41.052 2.141 0.778 0.741 0.949 0.744 CB 1.466 40 residues pruned to eliminate duplicates Z: 36 39.846 2.179 0.825 0.630 0.914 0.771 CB 1.639 36 residues pruned to eliminate duplicates Z: 53 42.987 2.077 0.904 0.668 0.942 0.731 CB 1.370 53 residues pruned to eliminate duplicates Z: 51 35.197 2.070 0.819 0.607 0.900 0.640 CB 1.327 51 residues pruned to eliminate duplicates Z: 45 38.195 2.080 0.840 0.671 0.909 0.659 CB 1.414 45 residues pruned to eliminate duplicates Z: 21 27.276 2.058 0.843 0.721 0.900 0.700 CB 1.463 21 residues pruned to eliminate duplicates Z: 22 26.834 2.061 0.834 0.767 0.905 0.905 CB 1.352 22 residues pruned to eliminate duplicates Z: 42 41.795 2.105 0.801 0.688 0.976 0.707 CB 1.487 42 residues pruned to eliminate duplicates Z: 21 28.890 2.107 0.902 0.750 0.900 0.700 CB 1.433 21 residues pruned to eliminate duplicates Z: 36 47.997 2.203 0.854 0.748 1.000 0.771 CB 1.592 36 residues pruned to eliminate duplicates Z: 37 46.274 2.159 0.925 0.714 1.000 0.778 CB 1.528 37 residues pruned to eliminate duplicates Z: 55 43.639 2.063 0.935 0.624 0.944 0.704 CB 1.402 53 residues pruned to eliminate duplicates Z: 22 28.115 1.964 1.080 0.810 0.952 0.810 CB 1.204 22 residues pruned to eliminate duplicates Z: 41 38.107 2.049 0.952 0.645 0.925 0.625 CB 1.423 41 residues pruned to eliminate duplicates Z: 51 46.695 2.116 0.946 0.668 0.980 0.640 CB 1.401 51 residues pruned to eliminate duplicates Z: 44 45.758 2.106 0.914 0.725 0.977 0.721 CB 1.447 44 residues pruned to eliminate duplicates Z: 52 47.224 2.097 1.032 0.670 0.941 0.647 CB 1.409 54 residues pruned to eliminate duplicates Z: 20 34.301 2.044 0.983 0.846 1.000 0.684 CB 1.442 20 residues pruned to eliminate duplicates Z: 52 47.587 2.100 0.911 0.673 0.980 0.706 CB 1.444 52 residues pruned to eliminate duplicates Z: 52 48.790 2.119 0.930 0.698 0.961 0.647 CB 1.451 52 residues pruned to eliminate duplicates Z: 7 4.509 1.367 0.703 0.286 1.000 0.167 CB 1.007 Z: 7 4.733 1.483 0.738 0.558 1.000 1.000 CB 0.709 Z: 6 3.155 1.347 0.506 0.290 0.800 0.600 N 1.100 Z: 6 3.375 1.610 0.549 0.256 0.600 0.600 CA 1.335 12 residues pruned to eliminate duplicates Z: 55 33.774 1.888 0.703 0.623 0.944 0.685 CB 1.349 55 residues pruned to eliminate duplicates Z: 52 34.952 1.937 0.688 0.654 0.961 0.608 CB 1.351 52 residues pruned to eliminate duplicates Z: 54 36.082 1.928 0.720 0.632 0.943 0.623 CB 1.400 54 residues pruned to eliminate duplicates Z: 21 9.145 1.610 0.584 0.312 0.850 0.550 CB 1.162 21 residues pruned to eliminate duplicates Z: 22 20.979 1.832 0.729 0.632 0.952 0.476 CB 1.341 22 residues pruned to eliminate duplicates Z: 39 27.895 1.886 0.580 0.701 0.921 0.711 CB 1.373 39 residues pruned to eliminate duplicates Z: 34 15.321 1.790 0.408 0.468 0.879 0.455 CB 1.244 34 residues pruned to eliminate duplicates Z: 34 17.488 1.737 0.681 0.494 0.818 0.485 CB 1.283 34 residues pruned to eliminate duplicates Z: 25 20.557 1.820 0.577 0.659 0.958 0.500 CB 1.316 25 residues pruned to eliminate duplicates Z: 42 35.336 1.949 0.708 0.697 0.976 0.561 CB 1.420 42 residues pruned to eliminate duplicates Z: 54 34.906 1.927 0.640 0.619 0.943 0.642 CB 1.438 54 residues pruned to eliminate duplicates Z: 36 30.003 1.941 0.623 0.674 0.971 0.629 CB 1.411 36 residues pruned to eliminate duplicates Z: 47 29.755 1.921 0.658 0.578 0.891 0.674 CB 1.434 47 residues pruned to eliminate duplicates Z: 41 31.745 1.931 0.639 0.717 0.900 0.700 CB 1.448 41 residues pruned to eliminate duplicates Z: 21 20.680 1.923 0.670 0.545 0.900 0.600 CB 1.530 21 residues pruned to eliminate duplicates Z: 18 26.759 2.061 0.697 0.784 0.941 0.706 CB 1.535 18 residues pruned to eliminate duplicates Z: 44 35.045 1.917 0.671 0.689 0.977 0.674 CB 1.437 44 residues pruned to eliminate duplicates Z: 43 25.063 1.904 0.541 0.638 0.952 0.643 CB 1.217 43 residues pruned to eliminate duplicates Z: 42 29.338 1.890 0.679 0.656 0.927 0.610 CB 1.348 42 residues pruned to eliminate duplicates Z: 50 35.378 1.979 0.658 0.649 0.918 0.694 CB 1.460 50 residues pruned to eliminate duplicates Z: 35 26.802 1.933 0.706 0.646 0.882 0.676 CB 1.379 35 residues pruned to eliminate duplicates Z: 22 25.686 1.999 0.682 0.738 0.952 0.714 CB 1.413 22 residues pruned to eliminate duplicates Z: 43 32.283 1.912 0.645 0.707 0.952 0.667 CB 1.378 43 residues pruned to eliminate duplicates Z: 36 28.214 1.993 0.697 0.618 0.943 0.714 CB 1.338 36 residues pruned to eliminate duplicates Z: 35 28.619 1.982 0.734 0.670 0.882 0.735 CB 1.384 35 residues pruned to eliminate duplicates Z: 55 30.683 1.898 0.665 0.590 0.944 0.611 CB 1.284 55 residues pruned to eliminate duplicates Z: 83 45.143 1.953 0.775 0.654 0.927 0.634 CB 1.344 57 residues pruned to eliminate duplicates Z: 18 28.505 2.017 1.154 0.928 0.882 0.824 CB 1.263 18 residues pruned to eliminate duplicates Z: 51 36.428 1.950 0.759 0.644 0.940 0.740 CB 1.397 51 residues pruned to eliminate duplicates Z: 50 36.230 1.929 0.821 0.628 0.959 0.653 CB 1.361 50 residues pruned to eliminate duplicates Z: 35 29.436 1.996 0.828 0.633 0.941 0.706 CB 1.298 35 residues pruned to eliminate duplicates Z: 49 36.571 1.947 0.853 0.627 0.938 0.542 CB 1.385 49 residues pruned to eliminate duplicates Z: 52 36.064 1.919 0.834 0.633 0.922 0.627 CB 1.374 52 residues pruned to eliminate duplicates Z: 25 15.208 1.874 0.585 0.489 0.917 0.583 CB 1.154 25 residues pruned to eliminate duplicates Z: 50 39.590 1.951 0.843 0.668 0.980 0.571 CB 1.375 50 residues pruned to eliminate duplicates Z: 18 12.935 1.931 0.861 0.553 0.765 0.471 CB 1.084 18 residues pruned to eliminate duplicates Z: 35 31.891 1.943 0.837 0.666 0.971 0.618 CB 1.354 35 residues pruned to eliminate duplicates Z: 50 34.722 1.956 0.758 0.672 0.918 0.714 CB 1.341 50 residues pruned to eliminate duplicates Z: 34 30.026 1.974 0.931 0.649 0.879 0.636 CB 1.358 34 residues pruned to eliminate duplicates Z: 52 38.180 1.959 0.811 0.643 0.961 0.647 CB 1.372 52 residues pruned to eliminate duplicates Z: 9 14.204 2.064 0.897 0.534 1.000 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 51 30.010 1.930 0.735 0.625 0.900 0.480 CB 1.251 51 residues pruned to eliminate duplicates Z: 59 32.359 1.880 0.822 0.541 0.914 0.517 CB 1.303 59 residues pruned to eliminate duplicates Z: 14 7.620 1.801 1.037 0.334 0.615 0.538 CB 1.123 14 residues pruned to eliminate duplicates Z: 67 35.524 1.892 0.782 0.581 0.924 0.652 CB 1.299 67 residues pruned to eliminate duplicates Z: 12 11.043 1.977 0.871 0.346 1.000 0.727 CB 1.064 12 residues pruned to eliminate duplicates Z: 62 36.482 1.874 0.800 0.605 0.951 0.689 CB 1.317 62 residues pruned to eliminate duplicates Z: 53 37.697 1.924 0.906 0.631 0.962 0.615 CB 1.312 53 residues pruned to eliminate duplicates Z: 10 23.063 2.097 0.784 0.787 1.000 0.778 CB 1.596 Z: 12 14.085 1.865 0.503 0.778 0.909 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 11 12.766 1.988 0.413 0.677 0.800 0.400 CB 1.525 11 residues pruned to eliminate duplicates Z: 63 23.226 1.926 0.482 0.429 0.903 0.645 CB 1.231 73 residues pruned to eliminate duplicates Z: 12 13.829 2.005 0.793 0.703 0.909 0.727 CB 1.061 Z: 12 16.251 1.867 0.651 0.728 0.818 0.636 CA 1.583 12 residues pruned to eliminate duplicates Z: 12 20.952 1.870 0.557 0.885 1.000 0.818 CB 1.567 12 residues pruned to eliminate duplicates Z: 12 18.891 1.787 0.668 0.884 0.909 0.909 O 1.518 12 residues pruned to eliminate duplicates Z: 11 21.484 2.011 0.703 0.842 0.900 0.800 CB 1.643 11 residues pruned to eliminate duplicates Z: 55 29.165 2.020 0.636 0.477 0.944 0.630 CB 1.301 67 residues pruned to eliminate duplicates Z: 30 20.109 2.024 0.579 0.606 0.862 0.621 CB 1.226 30 residues pruned to eliminate duplicates Z: 30 14.871 1.868 0.628 0.469 0.828 0.448 CB 1.132 30 residues pruned to eliminate duplicates Z: 33 18.649 1.959 0.673 0.613 0.906 0.656 CB 0.997 33 residues pruned to eliminate duplicates Z: 44 16.799 1.942 0.478 0.356 0.884 0.628 CB 1.180 44 residues pruned to eliminate duplicates Z: 46 18.842 1.982 0.475 0.402 0.911 0.667 CB 1.169 46 residues pruned to eliminate duplicates Z: 24 12.340 1.851 0.547 0.482 0.826 0.696 CB 1.109 33 residues pruned to eliminate duplicates Z: 20 16.620 2.055 0.468 0.640 0.895 0.789 CB 1.240 20 residues pruned to eliminate duplicates Z: 20 22.469 2.006 0.708 0.720 1.000 0.947 CB 1.233 20 residues pruned to eliminate duplicates Z: 31 23.244 2.016 0.763 0.661 0.867 0.800 CB 1.187 31 residues pruned to eliminate duplicates Z: 29 20.923 1.955 0.579 0.634 0.964 0.750 CB 1.171 29 residues pruned to eliminate duplicates Z: 31 22.590 1.965 0.742 0.607 0.900 0.767 CB 1.209 31 residues pruned to eliminate duplicates Z: 26 18.476 1.924 0.647 0.617 0.920 0.640 CB 1.135 26 residues pruned to eliminate duplicates Z: 30 25.036 1.940 0.855 0.622 0.931 0.552 CB 1.236 30 residues pruned to eliminate duplicates Z: 22 15.993 1.950 0.560 0.591 0.857 0.667 CB 1.227 22 residues pruned to eliminate duplicates Z: 19 15.563 1.964 0.779 0.633 0.944 0.667 CB 0.981 19 residues pruned to eliminate duplicates Z: 21 13.219 1.873 0.755 0.516 0.900 0.450 CB 0.983 21 residues pruned to eliminate duplicates Z: 73 30.328 1.940 0.670 0.476 0.903 0.639 CB 1.252 73 residues pruned to eliminate duplicates Z: 29 23.251 1.977 0.833 0.365 0.964 0.643 CB 1.454 29 residues pruned to eliminate duplicates Z: 50 29.102 2.027 0.706 0.440 0.918 0.673 CB 1.392 50 residues pruned to eliminate duplicates Z: 42 27.256 2.013 0.730 0.521 0.878 0.683 CB 1.364 42 residues pruned to eliminate duplicates Z: 27 17.947 2.043 0.647 0.349 0.923 0.692 CB 1.334 27 residues pruned to eliminate duplicates Z: 47 26.850 1.980 0.742 0.411 0.935 0.739 CB 1.349 47 residues pruned to eliminate duplicates Z: 41 18.539 1.964 0.573 0.314 0.900 0.700 CB 1.295 41 residues pruned to eliminate duplicates Z: 17 14.935 1.978 0.593 0.376 0.938 0.500 CB 1.443 17 residues pruned to eliminate duplicates Z: 56 30.520 2.016 0.757 0.486 0.891 0.673 CB 1.322 56 residues pruned to eliminate duplicates Z: 29 25.647 2.059 0.687 0.471 0.964 0.821 CB 1.491 29 residues pruned to eliminate duplicates Z: 42 25.985 2.022 0.670 0.412 0.927 0.659 CB 1.422 42 residues pruned to eliminate duplicates Z: 46 25.885 1.991 0.804 0.380 0.889 0.600 CB 1.373 46 residues pruned to eliminate duplicates Z: 54 20.508 1.889 0.642 0.341 0.849 0.528 CB 1.272 54 residues pruned to eliminate duplicates Z: 52 27.645 2.007 0.637 0.424 0.941 0.627 CB 1.355 52 residues pruned to eliminate duplicates Z: 44 26.678 2.036 0.627 0.408 0.953 0.744 CB 1.419 44 residues pruned to eliminate duplicates Z: 30 16.400 1.969 0.666 0.311 0.862 0.552 CB 1.327 30 residues pruned to eliminate duplicates Z: 51 28.147 2.025 0.732 0.431 0.920 0.660 CB 1.325 51 residues pruned to eliminate duplicates Z: 91 39.967 1.975 0.694 0.527 0.911 0.622 CB 1.346 91 residues pruned to eliminate duplicates Z: 44 22.422 1.957 0.711 0.370 0.884 0.628 CB 1.328 44 residues pruned to eliminate duplicates Z: 55 28.772 2.030 0.599 0.506 0.944 0.648 CB 1.269 55 residues pruned to eliminate duplicates Z: 29 28.667 2.032 0.910 0.582 0.929 0.679 CB 1.389 29 residues pruned to eliminate duplicates Z: 12 9.884 2.018 0.736 0.238 0.818 0.727 CB 1.409 12 residues pruned to eliminate duplicates Z: 55 25.999 2.002 0.739 0.409 0.907 0.574 CB 1.233 55 residues pruned to eliminate duplicates Z: 43 23.430 2.003 0.632 0.394 0.905 0.619 CB 1.367 43 residues pruned to eliminate duplicates Z: 44 25.491 2.020 0.825 0.437 0.907 0.581 CB 1.241 44 residues pruned to eliminate duplicates Z: 31 18.482 1.997 0.718 0.316 0.833 0.567 CB 1.446 31 residues pruned to eliminate duplicates Z: 29 17.562 2.008 0.620 0.306 0.929 0.643 CB 1.362 29 residues pruned to eliminate duplicates Z: 48 22.955 1.999 0.703 0.393 0.830 0.574 CB 1.328 48 residues pruned to eliminate duplicates Z: 63 30.721 2.001 0.725 0.467 0.887 0.694 CB 1.318 63 residues pruned to eliminate duplicates Z: 67 26.284 1.925 0.795 0.378 0.818 0.455 CB 1.304 67 residues pruned to eliminate duplicates Z: 75 36.703 1.982 0.705 0.496 0.946 0.676 CB 1.341 75 residues pruned to eliminate duplicates Z: 52 27.490 1.991 0.697 0.420 0.922 0.608 CB 1.343 52 residues pruned to eliminate duplicates Z: 21 21.701 1.998 0.508 0.656 1.000 0.800 CB 1.394 21 residues pruned to eliminate duplicates Z: 22 24.058 2.017 0.688 0.627 1.000 0.762 CB 1.368 22 residues pruned to eliminate duplicates Z: 50 26.282 2.013 0.717 0.467 0.857 0.633 CB 1.310 50 residues pruned to eliminate duplicates Z: 67 34.050 2.015 0.678 0.501 0.939 0.758 CB 1.318 67 residues pruned to eliminate duplicates Z: 23 21.819 2.033 0.554 0.636 0.909 0.773 CB 1.425 23 residues pruned to eliminate duplicates Z: 67 34.853 2.018 0.718 0.509 0.955 0.742 CB 1.285 67 residues pruned to eliminate duplicates Z: 78 39.029 2.038 0.710 0.542 0.935 0.727 CB 1.310 78 residues pruned to eliminate duplicates Z: 76 39.450 2.028 0.692 0.542 0.933 0.773 CB 1.366 76 residues pruned to eliminate duplicates Z: 27 21.832 1.996 0.614 0.586 0.923 0.731 CB 1.327 27 residues pruned to eliminate duplicates Z: 22 25.008 2.053 0.634 0.643 1.000 0.810 CB 1.423 22 residues pruned to eliminate duplicates Z: 53 26.286 1.998 0.648 0.443 0.885 0.577 CB 1.328 53 residues pruned to eliminate duplicates Z: 23 21.307 2.018 0.598 0.637 0.955 0.727 CB 1.297 23 residues pruned to eliminate duplicates Z: 66 35.663 2.038 0.716 0.523 0.938 0.800 CB 1.318 66 residues pruned to eliminate duplicates Z: 23 25.705 2.023 0.726 0.633 0.955 0.727 CB 1.451 23 residues pruned to eliminate duplicates Z: 65 32.758 2.015 0.762 0.476 0.906 0.656 CB 1.304 65 residues pruned to eliminate duplicates Z: 22 24.755 2.040 0.782 0.646 0.952 0.857 CB 1.361 22 residues pruned to eliminate duplicates Z: 108 43.782 1.982 0.683 0.524 0.925 0.654 CB 1.339 108 residues pruned to eliminate duplicates Z: 37 27.681 1.992 0.766 0.580 0.944 0.778 CB 1.285 37 residues pruned to eliminate duplicates Z: 22 17.545 2.006 0.496 0.626 0.857 0.667 CB 1.322 22 residues pruned to eliminate duplicates Z: 105 40.470 1.977 0.630 0.512 0.913 0.596 CB 1.333 105 residues pruned to eliminate duplicates Z: 17 16.957 1.953 0.859 0.579 0.938 0.750 CB 1.154 17 residues pruned to eliminate duplicates Z: 21 23.991 2.011 0.864 0.724 0.950 0.750 CB 1.231 21 residues pruned to eliminate duplicates Z: 20 25.373 2.066 0.734 0.701 0.895 0.789 CB 1.512 20 residues pruned to eliminate duplicates Z: 22 23.690 2.005 0.903 0.624 0.857 0.762 CB 1.406 22 residues pruned to eliminate duplicates Z: 23 22.902 1.914 0.787 0.642 0.955 0.727 CB 1.310 23 residues pruned to eliminate duplicates Z: 50 24.612 1.875 0.742 0.522 0.816 0.571 CB 1.291 50 residues pruned to eliminate duplicates Z: 52 30.539 1.967 0.695 0.584 0.922 0.608 CB 1.284 52 residues pruned to eliminate duplicates Z: 20 28.016 2.054 1.054 0.705 0.842 0.789 CB 1.501 20 residues pruned to eliminate duplicates Z: 20 28.336 2.063 0.975 0.680 0.895 0.737 CB 1.510 20 residues pruned to eliminate duplicates Z: 23 24.544 1.966 0.934 0.651 0.955 0.727 CB 1.253 23 residues pruned to eliminate duplicates Z: 23 24.595 2.012 1.059 0.686 0.864 0.727 CB 1.235 23 residues pruned to eliminate duplicates Z: 22 30.061 2.044 1.111 0.702 0.952 0.714 CB 1.328 22 residues pruned to eliminate duplicates Z: 33 28.624 1.899 0.802 0.640 0.969 0.656 CB 1.339 33 residues pruned to eliminate duplicates Z: 76 41.384 2.028 0.976 0.549 0.853 0.520 CB 1.332 76 residues pruned to eliminate duplicates Z: 39 33.006 1.982 0.941 0.677 0.974 0.763 CB 1.215 39 residues pruned to eliminate duplicates Z: 38 29.580 1.981 0.874 0.589 0.892 0.649 CB 1.349 38 residues pruned to eliminate duplicates Z: 53 33.388 1.961 0.854 0.598 0.923 0.654 CB 1.257 53 residues pruned to eliminate duplicates Z: 54 29.937 1.911 0.722 0.546 0.887 0.528 CB 1.347 54 residues pruned to eliminate duplicates Z: 34 31.641 1.969 1.013 0.630 0.879 0.545 CB 1.400 34 residues pruned to eliminate duplicates Z: 37 32.668 1.998 0.741 0.633 0.972 0.611 CB 1.420 37 residues pruned to eliminate duplicates Z: 49 31.830 1.981 0.840 0.623 0.854 0.646 CB 1.314 49 residues pruned to eliminate duplicates Z: 42 31.599 1.976 0.888 0.616 0.927 0.659 CB 1.279 42 residues pruned to eliminate duplicates Z: 37 33.867 2.017 0.891 0.687 0.944 0.722 CB 1.320 37 residues pruned to eliminate duplicates Z: 44 24.803 1.906 0.893 0.579 0.860 0.488 CB 1.129 44 residues pruned to eliminate duplicates Z: 59 26.770 1.918 0.824 0.480 0.793 0.534 CB 1.292 59 residues pruned to eliminate duplicates Z: 89 46.943 2.031 0.858 0.554 0.909 0.602 CB 1.384 89 residues pruned to eliminate duplicates Z: 39 31.802 1.986 0.830 0.676 0.921 0.737 CB 1.310 39 residues pruned to eliminate duplicates Z: 38 34.843 2.022 0.876 0.673 0.946 0.703 CB 1.361 38 residues pruned to eliminate duplicates Z: 55 32.925 1.936 0.833 0.618 0.889 0.574 CB 1.271 54 residues pruned to eliminate duplicates Z: 14 17.254 1.841 0.656 0.700 1.000 0.385 CB 1.308 14 residues pruned to eliminate duplicates Z: 62 29.584 1.931 0.687 0.535 0.918 0.607 CB 1.224 62 residues pruned to eliminate duplicates Z: 39 31.463 1.980 0.833 0.685 0.947 0.711 CB 1.253 39 residues pruned to eliminate duplicates Z: 6 5.798 1.521 0.552 0.687 1.000 0.800 CB 0.925 Z: 6 4.842 1.490 0.354 0.631 1.000 0.400 CB 0.949 6 residues pruned to eliminate duplicates Z: 15 15.100 1.913 0.726 0.572 0.857 0.714 CB 1.330 21 residues pruned to eliminate duplicates Z: 51 34.248 1.950 0.802 0.600 0.920 0.720 CB 1.362 52 residues pruned to eliminate duplicates Z: 7 3.981 1.392 0.911 0.444 0.833 0.500 CB 0.777 Z: 6 4.744 1.598 0.678 0.373 1.000 0.800 CA 0.906 13 residues pruned to eliminate duplicates Z: 52 34.067 1.931 0.860 0.593 0.941 0.725 CB 1.291 52 residues pruned to eliminate duplicates Z: 57 33.400 1.954 0.837 0.562 0.857 0.661 CB 1.367 57 residues pruned to eliminate duplicates Z: 56 37.087 1.965 0.783 0.610 0.909 0.673 CB 1.414 56 residues pruned to eliminate duplicates Z: 21 15.148 1.846 0.728 0.521 0.850 0.600 CB 1.223 21 residues pruned to eliminate duplicates Z: 57 32.900 1.946 0.764 0.606 0.893 0.643 CB 1.297 57 residues pruned to eliminate duplicates Z: 52 37.490 1.991 0.813 0.628 0.941 0.725 CB 1.370 52 residues pruned to eliminate duplicates Z: 8 11.095 1.971 0.540 0.538 0.857 0.429 CB 1.554 8 residues pruned to eliminate duplicates Z: 63 33.255 1.956 0.744 0.544 0.887 0.645 CB 1.336 63 residues pruned to eliminate duplicates Z: 57 36.286 1.976 0.795 0.641 0.946 0.732 CB 1.266 57 residues pruned to eliminate duplicates Z: 25 15.439 1.866 0.667 0.436 0.875 0.667 CB 1.237 25 residues pruned to eliminate duplicates Z: 56 39.452 1.986 0.812 0.604 0.945 0.655 CB 1.417 56 residues pruned to eliminate duplicates Z: 65 34.772 1.939 0.843 0.539 0.906 0.641 CB 1.292 65 residues pruned to eliminate duplicates Z: 27 15.682 1.925 0.550 0.465 0.923 0.577 CB 1.157 27 residues pruned to eliminate duplicates Z: 23 16.003 1.961 0.624 0.413 0.864 0.773 CB 1.359 23 residues pruned to eliminate duplicates Z: 6 7.164 1.690 0.384 0.613 1.000 0.400 CB 1.231 Z: 6 3.748 1.717 0.371 0.360 0.800 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 24 18.268 1.988 0.827 0.494 0.913 0.609 CB 1.156 30 residues pruned to eliminate duplicates Z: 28 17.104 1.956 0.584 0.425 0.889 0.593 CB 1.292 28 residues pruned to eliminate duplicates Z: 25 22.182 2.010 0.823 0.515 0.958 0.708 CB 1.270 25 residues pruned to eliminate duplicates Z: 16 13.964 2.008 0.868 0.409 0.867 0.600 CB 1.220 16 residues pruned to eliminate duplicates Z: 24 22.063 1.997 0.860 0.536 0.913 0.696 CB 1.309 24 residues pruned to eliminate duplicates Z: 18 11.619 1.899 0.732 0.344 0.882 0.588 CB 1.150 18 residues pruned to eliminate duplicates Z: 26 13.908 1.877 0.831 0.437 0.840 0.440 CB 1.029 26 residues pruned to eliminate duplicates Z: 26 19.398 1.988 0.768 0.474 0.920 0.560 CB 1.232 26 residues pruned to eliminate duplicates Z: 26 17.474 1.983 0.684 0.452 0.880 0.680 CB 1.249 26 residues pruned to eliminate duplicates Z: 22 16.368 1.941 0.677 0.495 0.857 0.571 CB 1.287 22 residues pruned to eliminate duplicates Z: 38 24.120 2.023 0.759 0.482 0.865 0.541 CB 1.312 38 residues pruned to eliminate duplicates Z: 24 22.978 2.013 0.743 0.496 0.957 0.696 CB 1.434 24 residues pruned to eliminate duplicates Z: 42 28.532 2.075 0.560 0.572 0.951 0.707 CB 1.350 42 residues pruned to eliminate duplicates Z: 24 22.861 2.025 0.701 0.547 0.957 0.739 CB 1.382 24 residues pruned to eliminate duplicates Z: 36 31.973 2.100 0.774 0.637 0.943 0.771 CB 1.354 36 residues pruned to eliminate duplicates Z: 54 35.036 2.045 0.773 0.546 0.887 0.642 CB 1.431 54 residues pruned to eliminate duplicates Z: 42 29.375 2.060 0.733 0.586 0.902 0.707 CB 1.311 42 residues pruned to eliminate duplicates Z: 55 34.799 2.029 0.678 0.565 0.907 0.704 CB 1.439 55 residues pruned to eliminate duplicates Z: 36 32.906 2.126 0.759 0.645 0.914 0.686 CB 1.421 36 residues pruned to eliminate duplicates Z: 41 31.752 2.078 0.758 0.585 0.925 0.650 CB 1.369 41 residues pruned to eliminate duplicates Z: 36 30.334 2.078 0.711 0.655 0.943 0.629 CB 1.324 36 residues pruned to eliminate duplicates Z: 41 33.300 2.084 0.769 0.597 0.950 0.775 CB 1.370 41 residues pruned to eliminate duplicates Z: 40 37.132 2.109 0.875 0.590 0.974 0.692 CB 1.416 40 residues pruned to eliminate duplicates Z: 44 33.030 2.041 0.817 0.588 0.907 0.628 CB 1.376 44 residues pruned to eliminate duplicates Z: 55 34.225 2.026 0.790 0.580 0.870 0.556 CB 1.366 55 residues pruned to eliminate duplicates Z: 51 35.573 2.074 0.734 0.580 0.920 0.660 CB 1.408 51 residues pruned to eliminate duplicates Z: 41 35.381 2.101 0.802 0.601 0.950 0.650 CB 1.413 41 residues pruned to eliminate duplicates Z: 54 38.037 2.076 0.798 0.584 0.925 0.679 CB 1.397 54 residues pruned to eliminate duplicates Z: 56 33.143 2.014 0.767 0.531 0.909 0.600 CB 1.340 56 residues pruned to eliminate duplicates Z: 49 36.199 2.094 0.792 0.571 0.917 0.625 CB 1.418 49 residues pruned to eliminate duplicates Z: 54 38.129 2.071 0.770 0.581 0.925 0.642 CB 1.430 54 residues pruned to eliminate duplicates Z: 41 35.833 2.110 0.794 0.595 0.950 0.650 CB 1.439 41 residues pruned to eliminate duplicates Z: 52 38.202 2.073 0.768 0.579 0.980 0.686 CB 1.379 52 residues pruned to eliminate duplicates Z: 49 38.217 2.104 0.906 0.565 0.896 0.667 CB 1.442 49 residues pruned to eliminate duplicates Z: 51 34.568 2.061 0.842 0.575 0.880 0.660 CB 1.361 51 residues pruned to eliminate duplicates Z: 56 39.026 2.054 0.905 0.563 0.927 0.709 CB 1.365 56 residues pruned to eliminate duplicates Z: 54 38.590 2.055 0.892 0.585 0.943 0.623 CB 1.332 54 residues pruned to eliminate duplicates Z: 44 34.673 2.089 0.718 0.602 0.907 0.605 CB 1.474 44 residues pruned to eliminate duplicates Z: 55 35.770 2.077 0.786 0.551 0.889 0.611 CB 1.404 55 residues pruned to eliminate duplicates Z: 48 34.318 2.064 0.896 0.590 0.830 0.383 CB 1.413 48 residues pruned to eliminate duplicates Z: 55 31.848 2.039 0.738 0.545 0.870 0.574 CB 1.344 55 residues pruned to eliminate duplicates Z: 54 39.668 2.076 0.852 0.573 0.943 0.566 CB 1.400 54 residues pruned to eliminate duplicates Z: 52 37.212 2.093 0.733 0.564 0.941 0.549 CB 1.434 52 residues pruned to eliminate duplicates Z: 55 30.381 2.042 0.743 0.568 0.852 0.519 CB 1.277 55 residues pruned to eliminate duplicates Z: 54 37.004 2.077 0.744 0.592 0.925 0.736 CB 1.390 54 residues pruned to eliminate duplicates Z: 54 40.465 2.076 0.798 0.584 0.962 0.698 CB 1.428 54 residues pruned to eliminate duplicates Z: 54 39.476 2.077 0.778 0.606 0.925 0.660 CB 1.436 54 residues pruned to eliminate duplicates Z: 10 11.640 1.827 0.654 0.643 0.889 0.778 N 1.264 10 residues pruned to eliminate duplicates Z: 54 38.125 2.067 0.834 0.578 0.906 0.642 CB 1.414 54 residues pruned to eliminate duplicates Z: 9 11.737 1.709 0.873 0.698 0.875 0.750 N 1.236 9 residues pruned to eliminate duplicates Z: 8 7.975 1.714 0.343 0.764 1.000 1.000 CB 1.036 8 residues pruned to eliminate duplicates 454 residues left after pruning, divided into chains as follows: A: 185 B: 51 C: 152 D: 66 CC for partial structure against native data = 41.45 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.676, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.791, Connect. = 0.780 for dens.mod. cycle 2 = 0.300, Contrast = 0.937, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.965, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.983, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.988, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.991, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.990, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.988, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.985, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2365 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 503 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 22.998 1.994 0.724 0.742 0.810 0.571 CB 1.452 B: 15 24.159 1.999 0.857 0.875 0.857 0.786 CB 1.475 C: 10 23.130 2.216 0.711 0.809 0.889 0.444 CA 1.747 D: 13 19.030 1.758 0.588 0.841 0.917 0.750 N 1.601 E: 21 20.977 2.060 0.595 0.721 0.800 0.550 CB 1.460 10 residues pruned to eliminate duplicates F: 12 24.749 2.128 1.148 0.829 0.909 0.545 CB 1.351 G: 10 19.115 1.814 0.726 0.891 1.000 0.778 CB 1.463 10 residues pruned to eliminate duplicates H: 19 27.999 2.013 0.666 0.939 1.000 0.889 CB 1.368 I: 11 23.578 1.883 0.952 0.852 1.000 1.000 N 1.501 11 residues pruned to eliminate duplicates J: 15 23.784 1.947 0.576 0.884 0.929 0.929 CA 1.612 14 residues pruned to eliminate duplicates K: 12 21.630 2.001 0.564 0.865 1.000 0.818 CB 1.528 L: 12 19.454 1.918 1.004 0.712 0.818 0.636 CA 1.539 12 residues pruned to eliminate duplicates M: 12 26.902 2.043 1.136 0.883 1.000 0.727 CB 1.344 12 residues pruned to eliminate duplicates N: 10 24.665 2.323 0.759 0.816 0.889 0.778 CB 1.720 10 residues pruned to eliminate duplicates O: 7 18.303 2.145 0.778 0.764 1.000 0.667 CB 1.550 P: 27 18.743 2.017 0.631 0.349 0.962 0.615 CB 1.369 Q: 15 17.558 1.989 0.710 0.543 0.857 0.429 CB 1.544 R: 35 31.320 2.074 0.809 0.525 0.853 0.618 CB 1.638 27 residues pruned to eliminate duplicates S: 6 9.968 2.000 0.382 0.747 0.800 0.600 CB 1.617 T: 11 16.621 1.948 0.694 0.681 0.800 0.600 CB 1.686 11 residues pruned to eliminate duplicates U: 16 10.287 1.856 0.851 0.311 0.800 0.600 CB 1.192 V: 17 19.907 2.081 0.511 0.744 1.000 0.938 CB 1.272 W: 13 17.417 1.745 0.774 0.781 1.000 0.917 CB 1.268 12 residues pruned to eliminate duplicates X: 19 24.671 1.980 0.678 0.869 0.944 0.833 CB 1.354 Y: 19 29.616 1.979 0.828 0.869 0.944 0.778 CB 1.492 20 residues pruned to eliminate duplicates Z: 11 30.232 2.183 1.204 0.895 1.000 0.800 CB 1.425 Z: 12 22.999 1.980 0.618 0.904 1.000 0.818 CB 1.541 Z: 22 20.701 2.008 0.589 0.796 0.905 0.810 CB 1.208 Z: 10 12.776 2.046 0.395 0.817 0.778 0.556 CB 1.456 10 residues pruned to eliminate duplicates Z: 22 25.209 2.011 0.731 0.656 0.905 0.571 CB 1.511 22 residues pruned to eliminate duplicates Z: 20 17.262 1.882 0.263 0.892 0.947 0.789 CB 1.263 20 residues pruned to eliminate duplicates Z: 7 9.932 1.587 0.470 0.905 1.000 0.667 CB 1.237 Z: 18 31.569 2.060 0.770 0.933 1.000 0.941 CB 1.464 17 residues pruned to eliminate duplicates Z: 12 18.260 2.033 0.643 0.832 0.818 0.727 CB 1.513 12 residues pruned to eliminate duplicates Z: 12 26.133 2.116 0.926 0.884 0.909 0.818 CB 1.537 12 residues pruned to eliminate duplicates Z: 54 32.998 2.043 0.667 0.552 0.925 0.585 CB 1.368 22 residues pruned to eliminate duplicates Z: 15 21.125 1.979 0.656 0.908 0.857 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 11 19.218 2.022 0.754 0.871 0.900 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 12 24.403 2.101 0.826 0.867 1.000 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 24 28.143 1.962 0.723 0.833 0.913 0.652 CB 1.426 16 residues pruned to eliminate duplicates Z: 16 20.263 1.929 0.816 0.859 0.867 0.867 CB 1.268 19 residues pruned to eliminate duplicates Z: 11 9.503 1.944 0.425 0.440 0.800 0.500 CB 1.443 Z: 8 13.646 1.961 0.790 0.729 0.857 0.714 CB 1.395 Z: 6 10.264 2.257 0.409 0.672 0.800 0.600 CA 1.540 6 residues pruned to eliminate duplicates Z: 6 5.785 1.625 0.846 0.703 1.000 0.600 CB 0.717 Z: 13 22.505 1.773 0.903 0.887 0.917 0.917 CB 1.514 13 residues pruned to eliminate duplicates Z: 21 29.955 2.082 0.684 0.847 0.950 0.750 CB 1.494 21 residues pruned to eliminate duplicates Z: 9 16.071 2.113 0.662 0.763 1.000 0.750 CB 1.281 9 residues pruned to eliminate duplicates Z: 54 34.246 2.056 0.751 0.561 0.943 0.623 CB 1.305 54 residues pruned to eliminate duplicates Z: 19 30.123 2.023 0.934 0.844 0.944 0.889 CB 1.430 19 residues pruned to eliminate duplicates Z: 14 27.761 2.075 0.813 0.880 1.000 0.769 CB 1.483 15 residues pruned to eliminate duplicates Z: 14 19.752 1.857 0.728 0.880 1.000 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 48 24.920 2.056 0.696 0.448 0.894 0.638 CB 1.230 18 residues pruned to eliminate duplicates Z: 20 16.471 2.026 0.836 0.520 0.789 0.579 CB 1.261 10 residues pruned to eliminate duplicates Z: 27 18.396 1.844 0.665 0.486 0.923 0.577 CB 1.292 6 residues pruned to eliminate duplicates Z: 8 13.965 1.826 0.788 0.797 0.857 0.714 CB 1.454 8 residues pruned to eliminate duplicates Z: 21 22.652 2.039 0.802 0.769 0.900 0.750 CB 1.207 13 residues pruned to eliminate duplicates Z: 48 31.473 2.110 0.847 0.477 0.851 0.660 CB 1.416 39 residues pruned to eliminate duplicates Z: 15 7.990 1.791 0.583 0.443 0.786 0.714 CB 1.017 15 residues pruned to eliminate duplicates Z: 13 20.447 1.910 0.752 0.883 1.000 0.833 CB 1.276 13 residues pruned to eliminate duplicates Z: 15 21.071 1.921 0.497 0.875 0.929 0.857 CA 1.534 15 residues pruned to eliminate duplicates Z: 6 7.354 2.021 0.347 0.728 0.800 0.600 CB 1.230 Z: 18 17.107 2.059 0.462 0.684 0.941 0.765 CB 1.238 18 residues pruned to eliminate duplicates Z: 23 22.656 1.944 0.717 0.763 0.909 0.773 CB 1.260 23 residues pruned to eliminate duplicates Z: 9 10.245 1.820 1.259 0.538 0.750 0.625 CB 1.132 Z: 14 25.103 1.964 1.155 0.869 0.923 0.615 CB 1.302 14 residues pruned to eliminate duplicates Z: 9 7.749 2.021 0.354 0.527 0.750 0.750 CB 1.299 Z: 51 23.593 1.973 0.598 0.512 0.860 0.620 CB 1.216 68 residues pruned to eliminate duplicates Z: 9 13.146 1.789 0.315 0.818 1.000 0.875 CB 1.499 9 residues pruned to eliminate duplicates Z: 29 20.588 2.047 0.607 0.594 0.929 0.607 CB 1.164 35 residues pruned to eliminate duplicates Z: 17 23.451 1.862 0.698 0.845 1.000 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 21 22.877 2.030 0.814 0.804 0.900 0.700 CB 1.183 21 residues pruned to eliminate duplicates Z: 109 49.857 2.093 0.755 0.494 0.889 0.620 CB 1.479 107 residues pruned to eliminate duplicates Z: 14 19.764 1.939 0.514 0.872 1.000 0.923 CB 1.361 14 residues pruned to eliminate duplicates Z: 18 17.929 1.916 0.623 0.589 0.941 0.765 CB 1.364 18 residues pruned to eliminate duplicates Z: 16 23.290 2.064 0.631 0.881 0.933 0.600 CB 1.386 16 residues pruned to eliminate duplicates Z: 12 24.267 2.088 0.659 0.835 1.000 1.000 CB 1.582 12 residues pruned to eliminate duplicates Z: 9 4.186 1.824 0.617 0.316 0.500 0.250 CB 1.230 Z: 12 4.999 1.882 0.830 0.247 0.636 0.545 CB 0.920 Z: 29 23.715 2.039 0.580 0.637 0.929 0.786 CB 1.318 29 residues pruned to eliminate duplicates Z: 22 21.304 2.011 0.870 0.706 0.857 0.762 CB 1.196 23 residues pruned to eliminate duplicates Z: 6 9.194 1.888 0.973 0.875 1.000 0.800 CB 0.803 6 residues pruned to eliminate duplicates Z: 16 19.667 1.914 0.494 0.880 0.933 0.800 CB 1.379 15 residues pruned to eliminate duplicates Z: 43 34.577 2.030 0.733 0.605 0.929 0.762 CB 1.478 43 residues pruned to eliminate duplicates Z: 18 31.925 2.029 1.023 0.926 1.000 0.706 CB 1.323 19 residues pruned to eliminate duplicates Z: 19 35.356 2.049 1.028 0.928 1.000 0.944 CB 1.404 19 residues pruned to eliminate duplicates Z: 13 23.536 2.041 0.798 0.812 0.917 0.667 CB 1.539 13 residues pruned to eliminate duplicates Z: 12 24.299 2.094 0.845 0.906 1.000 1.000 CB 1.349 12 residues pruned to eliminate duplicates Z: 9 14.717 1.795 0.509 0.774 1.000 0.750 N 1.507 9 residues pruned to eliminate duplicates Z: 20 21.475 2.043 0.617 0.705 0.895 0.737 CB 1.383 20 residues pruned to eliminate duplicates Z: 19 24.051 1.954 0.437 0.935 1.000 0.833 CB 1.407 19 residues pruned to eliminate duplicates Z: 9 6.266 1.903 0.121 0.443 0.750 0.625 CB 1.467 9 residues pruned to eliminate duplicates Z: 11 24.491 2.013 0.875 0.816 1.000 0.900 CA 1.559 11 residues pruned to eliminate duplicates Z: 21 30.172 2.114 0.556 0.871 0.950 0.850 CB 1.575 21 residues pruned to eliminate duplicates Z: 75 34.252 1.995 0.750 0.497 0.878 0.635 CB 1.303 54 residues pruned to eliminate duplicates Z: 12 24.761 1.818 0.844 0.891 1.000 0.909 CB 1.600 12 residues pruned to eliminate duplicates Z: 11 24.253 1.922 0.846 0.894 1.000 0.800 CB 1.551 11 residues pruned to eliminate duplicates Z: 12 6.182 1.807 0.574 0.400 0.818 0.455 CB 0.889 Z: 15 19.555 1.855 0.731 0.907 1.000 0.929 CB 1.157 Z: 66 51.064 2.143 0.913 0.556 0.938 0.615 CB 1.559 66 residues pruned to eliminate duplicates Z: 17 7.410 1.865 0.382 0.363 0.875 0.625 CB 0.952 8 residues pruned to eliminate duplicates Z: 15 30.370 2.161 0.816 0.857 1.000 0.786 CB 1.524 22 residues pruned to eliminate duplicates Z: 24 31.117 2.157 1.013 0.535 0.826 0.522 CA 1.747 24 residues pruned to eliminate duplicates Z: 14 15.087 1.780 0.676 0.889 0.923 0.846 CB 1.094 14 residues pruned to eliminate duplicates Z: 18 19.668 2.057 0.735 0.471 0.882 0.588 CB 1.559 18 residues pruned to eliminate duplicates Z: 17 12.362 2.024 0.391 0.325 0.875 0.500 CB 1.522 17 residues pruned to eliminate duplicates Z: 34 39.210 2.165 0.898 0.592 0.939 0.606 CB 1.619 34 residues pruned to eliminate duplicates Z: 9 13.727 1.721 1.191 0.812 1.000 0.500 N 0.981 9 residues pruned to eliminate duplicates Z: 11 24.055 2.111 0.822 0.789 0.900 0.700 CA 1.706 11 residues pruned to eliminate duplicates Z: 12 26.503 2.077 1.117 0.877 0.909 0.909 CB 1.452 12 residues pruned to eliminate duplicates Z: 11 20.529 2.027 0.736 0.911 1.000 0.900 CB 1.308 11 residues pruned to eliminate duplicates Z: 18 20.582 1.761 0.752 0.730 0.941 0.765 CA 1.397 18 residues pruned to eliminate duplicates Z: 19 24.086 1.961 0.606 0.894 1.000 0.833 CB 1.293 19 residues pruned to eliminate duplicates Z: 19 26.443 1.997 0.651 0.942 1.000 0.944 CB 1.310 19 residues pruned to eliminate duplicates Z: 25 16.955 2.008 0.600 0.382 0.917 0.542 CB 1.332 25 residues pruned to eliminate duplicates Z: 15 25.379 1.931 0.682 0.880 1.000 0.714 CA 1.513 15 residues pruned to eliminate duplicates Z: 19 18.895 1.793 0.638 0.766 0.889 0.667 CB 1.347 8 residues pruned to eliminate duplicates Z: 21 24.151 2.018 0.611 0.848 0.950 0.850 CB 1.297 21 residues pruned to eliminate duplicates Z: 33 19.351 1.998 0.794 0.566 0.781 0.500 CB 1.146 33 residues pruned to eliminate duplicates Z: 18 21.708 2.030 0.334 0.946 1.000 0.941 CB 1.345 18 residues pruned to eliminate duplicates Z: 20 13.886 1.957 0.636 0.423 0.895 0.579 CB 1.205 20 residues pruned to eliminate duplicates Z: 12 15.487 1.678 0.508 0.816 1.000 0.545 O 1.403 Z: 11 26.369 2.208 0.994 0.805 0.900 0.800 CB 1.613 11 residues pruned to eliminate duplicates Z: 18 16.088 1.984 0.867 0.426 0.882 0.529 CB 1.290 18 residues pruned to eliminate duplicates Z: 11 14.526 1.711 0.550 0.876 0.900 0.800 CB 1.398 11 residues pruned to eliminate duplicates Z: 12 19.398 1.806 0.791 0.821 1.000 0.909 CA 1.369 12 residues pruned to eliminate duplicates Z: 10 9.614 1.876 0.488 0.501 0.778 0.667 CB 1.474 10 residues pruned to eliminate duplicates Z: 10 2.574 1.455 0.321 0.258 0.556 0.222 N 1.060 Z: 11 10.141 1.657 0.511 0.716 1.000 0.400 CB 1.053 11 residues pruned to eliminate duplicates Z: 21 28.192 2.033 0.793 0.830 1.000 0.900 CB 1.300 21 residues pruned to eliminate duplicates Z: 10 11.279 1.739 0.778 0.657 0.889 0.778 CB 1.182 10 residues pruned to eliminate duplicates Z: 52 42.190 2.097 0.869 0.643 0.941 0.686 CB 1.401 48 residues pruned to eliminate duplicates Z: 13 21.723 1.954 0.680 0.885 0.917 0.917 CB 1.504 13 residues pruned to eliminate duplicates Z: 8 9.807 1.546 0.662 0.780 1.000 0.714 N 1.127 7 residues pruned to eliminate duplicates Z: 22 23.857 2.003 0.550 0.858 0.952 0.714 CB 1.296 22 residues pruned to eliminate duplicates Z: 54 37.309 2.058 0.810 0.578 0.962 0.642 CB 1.326 54 residues pruned to eliminate duplicates Z: 20 26.672 1.987 0.668 0.862 0.947 0.737 CB 1.430 20 residues pruned to eliminate duplicates Z: 11 21.878 2.174 0.676 0.881 1.000 0.900 CB 1.375 11 residues pruned to eliminate duplicates Z: 19 25.682 1.959 1.194 0.857 0.778 0.556 CB 1.335 19 residues pruned to eliminate duplicates Z: 21 11.412 1.921 0.614 0.332 0.750 0.450 CB 1.318 Z: 22 26.832 2.050 0.527 0.806 0.952 0.857 CB 1.504 22 residues pruned to eliminate duplicates Z: 19 28.097 2.004 1.011 0.880 0.944 0.833 CB 1.261 19 residues pruned to eliminate duplicates Z: 19 16.254 1.883 0.627 0.525 0.889 0.556 CB 1.372 19 residues pruned to eliminate duplicates Z: 19 17.415 1.760 0.663 0.791 0.944 0.722 CB 1.151 19 residues pruned to eliminate duplicates Z: 11 13.744 1.775 0.513 0.787 0.900 0.600 CB 1.397 11 residues pruned to eliminate duplicates Z: 18 16.558 1.902 0.850 0.546 0.882 0.529 CB 1.236 18 residues pruned to eliminate duplicates Z: 37 29.471 2.069 0.790 0.622 0.889 0.583 CB 1.329 37 residues pruned to eliminate duplicates Z: 24 26.344 1.941 0.728 0.799 0.913 0.783 CB 1.380 24 residues pruned to eliminate duplicates Z: 37 36.592 2.154 0.733 0.567 0.972 0.722 CB 1.575 37 residues pruned to eliminate duplicates Z: 35 20.492 1.945 0.736 0.416 0.912 0.676 CB 1.246 35 residues pruned to eliminate duplicates Z: 7 3.148 1.895 0.225 0.495 0.833 0.500 CB 0.668 Z: 36 33.873 2.055 0.834 0.689 0.943 0.743 CB 1.356 36 residues pruned to eliminate duplicates Z: 20 12.515 1.982 0.725 0.364 0.842 0.684 CB 1.154 20 residues pruned to eliminate duplicates Z: 6 12.399 2.029 0.586 0.800 1.000 0.600 CB 1.325 8 residues pruned to eliminate duplicates Z: 50 30.193 2.100 0.723 0.470 0.898 0.714 CB 1.369 50 residues pruned to eliminate duplicates Z: 23 18.351 1.939 0.615 0.513 0.909 0.591 CB 1.356 20 residues pruned to eliminate duplicates Z: 22 31.430 2.050 0.693 0.857 0.952 0.714 CB 1.529 22 residues pruned to eliminate duplicates Z: 58 24.950 1.982 0.655 0.382 0.895 0.649 CB 1.277 63 residues pruned to eliminate duplicates Z: 21 28.906 1.974 0.838 0.846 1.000 0.750 CB 1.323 21 residues pruned to eliminate duplicates Z: 12 18.464 2.059 0.988 0.831 0.818 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 9 9.113 1.577 0.513 0.727 0.875 0.625 N 1.258 9 residues pruned to eliminate duplicates Z: 6 7.548 1.745 0.370 0.640 1.000 0.600 CB 1.238 6 residues pruned to eliminate duplicates Z: 173 63.574 2.080 0.822 0.532 0.901 0.640 CB 1.375 173 residues pruned to eliminate duplicates Z: 20 23.083 2.023 0.557 0.804 1.000 0.842 CB 1.289 20 residues pruned to eliminate duplicates Z: 15 30.252 2.094 0.725 0.938 1.000 1.000 CB 1.557 15 residues pruned to eliminate duplicates Z: 27 18.450 1.931 0.841 0.388 0.808 0.500 CB 1.419 27 residues pruned to eliminate duplicates Z: 85 46.599 2.099 0.797 0.545 0.905 0.690 CB 1.427 85 residues pruned to eliminate duplicates Z: 15 20.820 1.953 0.861 0.861 0.929 0.714 CB 1.211 15 residues pruned to eliminate duplicates Z: 19 21.587 2.209 0.506 0.585 0.944 0.667 CB 1.493 19 residues pruned to eliminate duplicates Z: 32 23.884 1.960 0.690 0.655 0.871 0.581 CB 1.288 32 residues pruned to eliminate duplicates Z: 53 34.476 2.069 0.842 0.572 0.885 0.635 CB 1.324 57 residues pruned to eliminate duplicates Z: 14 16.423 1.854 0.506 0.765 0.923 0.615 CB 1.396 14 residues pruned to eliminate duplicates Z: 22 9.154 1.913 0.449 0.329 0.810 0.476 CB 1.074 22 residues pruned to eliminate duplicates Z: 15 26.337 2.036 0.751 0.895 1.000 0.786 CB 1.416 15 residues pruned to eliminate duplicates Z: 9 9.294 1.711 0.811 0.770 0.750 0.625 CB 1.113 9 residues pruned to eliminate duplicates Z: 12 22.907 1.929 0.761 0.888 1.000 0.727 CB 1.466 12 residues pruned to eliminate duplicates Z: 12 11.211 1.799 0.440 0.785 1.000 0.636 CB 1.016 Z: 8 9.951 2.016 0.650 0.453 0.857 0.857 CB 1.384 8 residues pruned to eliminate duplicates Z: 12 22.495 2.116 1.007 0.843 0.818 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 9 5.542 1.800 0.488 0.450 0.875 0.625 CB 0.880 6 residues pruned to eliminate duplicates Z: 15 26.880 1.947 1.011 0.925 0.929 0.429 CB 1.387 15 residues pruned to eliminate duplicates Z: 30 13.842 1.827 0.734 0.374 0.793 0.448 CB 1.170 30 residues pruned to eliminate duplicates Z: 10 9.285 1.532 0.556 0.803 0.889 0.667 CA 1.122 10 residues pruned to eliminate duplicates Z: 13 18.311 1.837 0.686 0.862 0.917 0.833 CB 1.367 13 residues pruned to eliminate duplicates Z: 15 11.607 1.700 0.550 0.766 0.929 0.643 CB 1.002 13 residues pruned to eliminate duplicates Z: 16 19.626 1.924 0.843 0.545 0.867 0.600 N 1.578 16 residues pruned to eliminate duplicates Z: 8 3.125 1.816 0.742 0.439 0.714 0.571 CB 0.556 6 residues pruned to eliminate duplicates Z: 9 7.614 1.618 0.331 0.785 1.000 0.750 N 0.973 9 residues pruned to eliminate duplicates Z: 22 23.324 2.000 0.627 0.821 0.905 0.762 CB 1.310 22 residues pruned to eliminate duplicates Z: 7 11.338 1.776 1.036 0.709 0.833 0.333 N 1.270 7 residues pruned to eliminate duplicates Z: 11 7.135 1.700 0.921 0.479 0.800 0.500 CB 0.882 Z: 11 16.585 2.053 0.422 0.906 1.000 1.000 CB 1.277 11 residues pruned to eliminate duplicates Z: 13 19.753 2.285 0.820 0.517 0.917 0.833 CB 1.471 13 residues pruned to eliminate duplicates Z: 12 16.863 1.960 0.551 0.890 1.000 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 11 9.810 1.799 0.499 0.440 1.000 0.500 CB 1.223 11 residues pruned to eliminate duplicates Z: 9 16.607 1.863 0.557 0.812 1.000 0.750 CA 1.544 9 residues pruned to eliminate duplicates Z: 12 25.802 1.976 0.952 0.883 1.000 0.727 CB 1.458 12 residues pruned to eliminate duplicates 6 1.686 1.463 0.919 0.259 0.800 0.400 CB 0.442 ? Z: 13 19.619 1.984 0.551 0.822 0.917 0.750 CA 1.519 13 residues pruned to eliminate duplicates Z: 12 23.085 2.027 0.820 0.875 1.000 0.636 CB 1.372 12 residues pruned to eliminate duplicates Z: 31 25.926 1.964 0.730 0.508 0.900 0.433 CB 1.535 31 residues pruned to eliminate duplicates Z: 28 17.740 1.972 0.709 0.413 0.815 0.667 CB 1.362 28 residues pruned to eliminate duplicates Z: 10 12.293 1.820 0.610 0.676 1.000 0.556 CB 1.189 10 residues pruned to eliminate duplicates Z: 15 16.974 1.870 0.672 0.869 0.857 0.857 CB 1.236 Z: 13 22.382 1.972 0.947 0.924 1.000 1.000 CB 1.182 13 residues pruned to eliminate duplicates Z: 12 7.904 1.816 0.699 0.471 0.818 0.545 CB 0.972 12 residues pruned to eliminate duplicates Z: 28 11.291 1.837 0.495 0.269 0.852 0.444 CB 1.208 28 residues pruned to eliminate duplicates Z: 19 25.621 1.999 0.829 0.871 0.944 0.722 CB 1.275 19 residues pruned to eliminate duplicates Z: 25 18.886 1.975 0.612 0.670 0.833 0.625 CB 1.241 25 residues pruned to eliminate duplicates Z: 7 10.339 1.845 0.913 0.453 0.833 0.500 CB 1.506 7 residues pruned to eliminate duplicates Z: 11 21.463 1.992 1.079 0.797 0.900 0.700 CB 1.404 11 residues pruned to eliminate duplicates Z: 13 11.068 1.800 0.418 0.797 0.917 0.750 CB 1.053 11 residues pruned to eliminate duplicates Z: 13 19.368 1.824 0.849 0.795 0.917 0.917 CB 1.397 13 residues pruned to eliminate duplicates Z: 53 23.972 1.976 0.593 0.468 0.885 0.635 CB 1.234 65 residues pruned to eliminate duplicates Z: 11 4.908 1.776 0.175 0.605 0.800 0.400 CB 0.841 Z: 15 16.260 1.892 0.781 0.896 1.000 0.786 CB 0.924 15 residues pruned to eliminate duplicates Z: 31 27.231 2.094 0.630 0.565 0.900 0.733 CB 1.520 31 residues pruned to eliminate duplicates Z: 13 18.703 2.030 0.232 0.862 1.000 0.833 CB 1.585 13 residues pruned to eliminate duplicates Z: 71 36.657 1.998 0.708 0.538 0.900 0.586 CB 1.375 78 residues pruned to eliminate duplicates Z: 12 25.596 2.031 1.154 0.923 1.000 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 12 26.230 2.191 0.826 0.750 0.909 0.545 CB 1.739 12 residues pruned to eliminate duplicates Z: 34 31.994 2.014 0.777 0.594 0.970 0.606 CB 1.467 34 residues pruned to eliminate duplicates Z: 10 16.151 1.732 1.110 0.542 1.000 0.556 CB 1.414 11 residues pruned to eliminate duplicates Z: 15 7.506 1.749 0.643 0.345 0.714 0.429 CB 1.157 15 residues pruned to eliminate duplicates Z: 10 4.659 1.690 0.423 0.349 0.667 0.556 CB 1.140 Z: 16 18.695 1.885 0.733 0.683 0.867 0.600 CB 1.442 15 residues pruned to eliminate duplicates Z: 11 21.793 1.975 0.404 0.915 1.000 0.900 CB 1.757 11 residues pruned to eliminate duplicates Z: 47 31.320 2.064 0.963 0.536 0.826 0.522 CB 1.332 47 residues pruned to eliminate duplicates Z: 55 31.446 1.955 0.717 0.601 0.926 0.648 CB 1.250 53 residues pruned to eliminate duplicates Z: 13 11.854 1.821 0.668 0.745 0.750 0.667 CB 1.207 13 residues pruned to eliminate duplicates Z: 37 22.707 2.061 0.686 0.363 0.944 0.500 CB 1.336 37 residues pruned to eliminate duplicates Z: 7 8.210 1.663 0.626 0.755 1.000 0.833 N 0.988 7 residues pruned to eliminate duplicates Z: 8 2.655 1.568 0.564 0.366 0.857 0.429 CB 0.551 Z: 6 5.598 1.271 1.106 0.699 0.800 0.400 CA 0.975 Z: 24 21.242 2.007 0.559 0.608 1.000 0.826 CB 1.277 24 residues pruned to eliminate duplicates Z: 63 50.869 2.155 0.848 0.629 0.919 0.710 CB 1.562 63 residues pruned to eliminate duplicates Z: 49 25.797 2.003 0.571 0.557 0.938 0.583 CB 1.194 49 residues pruned to eliminate duplicates Z: 31 23.459 2.061 0.608 0.621 0.833 0.633 CB 1.383 31 residues pruned to eliminate duplicates Z: 6 4.425 1.624 0.696 0.846 1.000 0.800 CB 0.534 Z: 8 13.125 1.808 0.559 0.779 1.000 0.857 N 1.376 8 residues pruned to eliminate duplicates Z: 19 13.577 1.975 0.510 0.551 0.778 0.667 CB 1.313 19 residues pruned to eliminate duplicates Z: 14 19.265 1.797 0.664 0.847 0.923 0.692 CA 1.436 14 residues pruned to eliminate duplicates Z: 8 11.207 1.775 0.641 0.736 1.000 1.000 CB 1.176 Z: 6 2.920 1.504 0.909 0.297 0.600 0.400 O 0.951 Z: 14 18.566 1.828 0.569 0.923 1.000 0.846 CB 1.262 14 residues pruned to eliminate duplicates Z: 6 7.498 1.788 0.836 0.436 0.800 0.400 CB 1.364 6 residues pruned to eliminate duplicates Z: 18 20.603 2.194 0.722 0.616 0.882 0.647 CB 1.342 18 residues pruned to eliminate duplicates Z: 54 41.711 2.073 0.815 0.621 0.943 0.642 CB 1.439 61 residues pruned to eliminate duplicates Z: 14 25.514 2.071 0.751 0.801 0.923 0.846 CB 1.625 19 residues pruned to eliminate duplicates Z: 12 7.462 1.843 0.513 0.313 0.818 0.455 CB 1.213 11 residues pruned to eliminate duplicates Z: 17 20.559 1.880 0.608 0.769 1.000 0.625 CB 1.340 17 residues pruned to eliminate duplicates Z: 13 25.949 2.038 0.914 0.854 0.917 0.750 CB 1.547 13 residues pruned to eliminate duplicates Z: 32 22.331 1.921 0.700 0.619 0.935 0.742 CB 1.174 32 residues pruned to eliminate duplicates Z: 15 30.544 2.108 0.726 0.924 1.000 1.000 CB 1.576 15 residues pruned to eliminate duplicates Z: 12 15.896 1.735 1.003 0.711 0.818 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 11 16.850 1.826 0.782 0.571 1.000 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 40 28.106 2.031 0.753 0.577 0.897 0.667 CB 1.308 40 residues pruned to eliminate duplicates Z: 56 35.044 2.033 0.767 0.552 0.927 0.636 CB 1.349 61 residues pruned to eliminate duplicates Z: 22 21.624 1.962 0.559 0.795 0.952 0.762 CB 1.251 22 residues pruned to eliminate duplicates Z: 20 23.410 2.005 0.634 0.809 1.000 0.684 CB 1.252 20 residues pruned to eliminate duplicates Z: 49 28.473 1.904 0.758 0.625 0.896 0.604 CB 1.218 49 residues pruned to eliminate duplicates Z: 15 13.994 1.798 0.531 0.886 1.000 0.857 CB 0.980 15 residues pruned to eliminate duplicates Z: 16 17.416 1.880 0.719 0.883 0.933 0.733 CB 1.077 16 residues pruned to eliminate duplicates Z: 9 14.860 2.013 0.581 0.767 1.000 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 6 3.977 1.528 0.207 0.614 0.800 0.400 CB 1.081 Z: 12 25.298 1.867 0.965 0.850 0.909 0.818 CA 1.694 12 residues pruned to eliminate duplicates Z: 18 25.742 1.996 0.645 0.938 1.000 0.824 CB 1.323 18 residues pruned to eliminate duplicates Z: 19 11.447 1.954 0.581 0.340 0.778 0.611 CB 1.337 8 residues pruned to eliminate duplicates Z: 10 17.467 1.968 0.851 0.678 0.889 0.556 CB 1.526 10 residues pruned to eliminate duplicates Z: 23 27.520 2.010 0.809 0.816 0.909 0.636 CB 1.349 23 residues pruned to eliminate duplicates Z: 13 6.752 1.731 0.561 0.518 0.833 0.583 CB 0.850 Z: 15 29.849 2.098 0.821 0.871 1.000 0.786 CB 1.523 15 residues pruned to eliminate duplicates Z: 8 5.817 1.623 0.750 0.379 0.857 0.571 O 1.028 Z: 48 24.384 1.993 0.588 0.449 0.915 0.638 CB 1.295 48 residues pruned to eliminate duplicates Z: 19 27.543 1.989 0.775 0.949 1.000 0.833 CB 1.270 19 residues pruned to eliminate duplicates Z: 6 12.091 1.937 0.610 0.704 1.000 0.600 CB 1.440 6 residues pruned to eliminate duplicates Z: 14 22.744 1.829 0.878 0.884 1.000 0.769 CB 1.328 14 residues pruned to eliminate duplicates Z: 10 3.716 1.676 0.429 0.251 0.778 0.333 CB 0.886 Z: 20 15.261 1.783 0.712 0.700 0.789 0.632 CB 1.211 20 residues pruned to eliminate duplicates Z: 6 3.031 1.705 0.130 0.467 0.600 0.600 CB 1.213 Z: 12 23.267 1.923 0.878 0.918 1.000 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 8 3.552 1.622 0.633 0.206 0.571 0.286 N 1.256 Z: 13 7.703 1.762 0.606 0.409 0.833 0.583 CB 1.038 13 residues pruned to eliminate duplicates Z: 10 10.333 1.697 0.704 0.653 0.778 0.778 N 1.328 9 residues pruned to eliminate duplicates Z: 37 23.440 1.859 0.763 0.611 0.833 0.722 CB 1.287 37 residues pruned to eliminate duplicates Z: 16 6.018 1.809 0.469 0.241 0.867 0.533 CB 0.910 16 residues pruned to eliminate duplicates Z: 11 7.111 1.816 0.851 0.396 0.800 0.300 CB 0.933 11 residues pruned to eliminate duplicates Z: 6 2.125 1.723 0.016 0.603 1.000 0.800 CB 0.492 Z: 22 26.206 2.022 0.690 0.832 0.952 0.524 CB 1.320 22 residues pruned to eliminate duplicates Z: 24 12.331 1.749 0.718 0.451 0.739 0.522 CB 1.217 24 residues pruned to eliminate duplicates Z: 21 16.987 2.043 0.682 0.383 1.000 0.550 CB 1.252 21 residues pruned to eliminate duplicates Z: 17 26.075 2.193 0.895 0.683 0.938 0.750 CB 1.414 24 residues pruned to eliminate duplicates Z: 20 31.126 1.971 0.825 0.910 1.000 0.842 CB 1.408 20 residues pruned to eliminate duplicates Z: 21 33.615 2.015 1.006 0.826 1.000 0.800 CB 1.402 21 residues pruned to eliminate duplicates Z: 26 15.590 1.964 0.509 0.429 0.880 0.640 CB 1.287 26 residues pruned to eliminate duplicates Z: 8 2.869 1.479 0.419 0.303 0.714 0.429 CB 0.901 Z: 18 13.266 1.629 0.555 0.713 0.824 0.588 CB 1.272 17 residues pruned to eliminate duplicates Z: 12 16.166 1.885 0.534 0.757 1.000 0.636 CB 1.341 12 residues pruned to eliminate duplicates Z: 13 8.480 1.824 0.412 0.374 0.750 0.500 CB 1.450 13 residues pruned to eliminate duplicates Z: 23 10.307 1.911 0.378 0.292 0.909 0.500 CB 1.160 23 residues pruned to eliminate duplicates Z: 110 50.853 2.113 0.790 0.518 0.899 0.624 CB 1.407 110 residues pruned to eliminate duplicates Z: 43 29.051 1.974 0.739 0.542 0.952 0.643 CB 1.316 43 residues pruned to eliminate duplicates Z: 36 19.563 2.034 0.552 0.456 0.914 0.657 CB 1.199 36 residues pruned to eliminate duplicates Z: 14 23.480 1.918 0.972 0.888 0.923 0.846 CB 1.344 14 residues pruned to eliminate duplicates Z: 21 22.618 1.926 0.727 0.783 0.950 0.650 CB 1.248 21 residues pruned to eliminate duplicates Z: 6 6.842 1.715 0.277 0.578 1.000 0.600 CB 1.296 Z: 52 29.477 2.039 0.730 0.486 0.882 0.549 CB 1.345 52 residues pruned to eliminate duplicates Z: 7 8.672 1.845 0.834 0.817 1.000 1.000 CB 0.795 7 residues pruned to eliminate duplicates Z: 13 16.601 1.886 0.485 0.815 0.917 0.750 CB 1.419 13 residues pruned to eliminate duplicates Z: 17 12.347 1.649 0.590 0.549 0.938 0.562 CB 1.197 17 residues pruned to eliminate duplicates Z: 59 19.498 1.978 0.629 0.366 0.810 0.483 CB 1.132 59 residues pruned to eliminate duplicates Z: 18 11.597 1.878 0.639 0.397 0.882 0.529 CB 1.155 18 residues pruned to eliminate duplicates Z: 6 3.754 1.433 0.494 0.294 0.800 0.600 C 1.235 Z: 6 6.074 1.521 1.109 0.652 0.800 0.800 CB 0.918 Z: 8 7.653 1.821 0.511 0.598 0.714 0.571 CB 1.339 8 residues pruned to eliminate duplicates Z: 42 39.216 2.143 0.697 0.672 0.927 0.805 CB 1.550 42 residues pruned to eliminate duplicates Z: 17 9.974 1.901 0.599 0.293 0.812 0.438 CB 1.273 17 residues pruned to eliminate duplicates Z: 8 11.715 1.659 0.767 0.848 1.000 1.000 N 1.120 8 residues pruned to eliminate duplicates Z: 30 14.817 2.019 0.631 0.336 0.828 0.552 CB 1.208 30 residues pruned to eliminate duplicates Z: 13 19.858 1.842 0.826 0.887 0.917 0.750 CA 1.341 13 residues pruned to eliminate duplicates Z: 27 18.055 1.998 0.531 0.378 1.000 0.615 CB 1.318 27 residues pruned to eliminate duplicates Z: 12 26.107 1.908 0.872 0.853 1.000 0.545 CA 1.629 13 residues pruned to eliminate duplicates Z: 13 19.088 1.834 0.793 0.902 0.833 0.667 CA 1.435 13 residues pruned to eliminate duplicates Z: 67 34.900 2.029 0.665 0.500 0.924 0.652 CB 1.376 67 residues pruned to eliminate duplicates Z: 8 6.268 1.767 0.492 0.623 0.857 0.857 CB 0.934 Z: 14 27.619 1.893 1.120 0.851 0.923 0.462 CB 1.530 14 residues pruned to eliminate duplicates Z: 33 18.086 1.853 0.718 0.555 0.750 0.375 CB 1.269 33 residues pruned to eliminate duplicates Z: 14 13.564 1.850 0.471 0.869 1.000 1.000 CB 1.010 14 residues pruned to eliminate duplicates Z: 42 22.745 2.004 0.633 0.414 0.878 0.732 CB 1.353 42 residues pruned to eliminate duplicates Z: 41 33.442 2.082 0.826 0.651 0.875 0.625 CB 1.381 41 residues pruned to eliminate duplicates Z: 7 5.411 1.576 0.885 0.468 0.667 0.667 N 1.153 6 residues pruned to eliminate duplicates Z: 7 6.337 1.840 0.658 0.726 0.667 0.667 CB 1.038 7 residues pruned to eliminate duplicates Z: 10 10.825 1.866 0.627 0.821 1.000 0.778 CB 0.900 10 residues pruned to eliminate duplicates Z: 27 10.935 1.855 0.427 0.469 0.808 0.500 CB 1.035 27 residues pruned to eliminate duplicates Z: 12 4.510 1.493 0.635 0.245 0.727 0.273 N 1.028 Z: 11 13.622 1.813 0.714 0.503 1.000 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 7 6.672 1.630 0.377 0.803 0.833 0.667 CB 1.118 7 residues pruned to eliminate duplicates Z: 26 22.888 2.042 0.760 0.519 0.840 0.560 CB 1.487 26 residues pruned to eliminate duplicates Z: 22 10.723 1.751 0.540 0.396 0.905 0.571 CB 1.070 22 residues pruned to eliminate duplicates Z: 6 3.127 1.422 0.139 0.425 1.000 0.400 CB 0.934 Z: 6 6.791 1.716 1.072 0.833 1.000 0.800 CB 0.641 6 residues pruned to eliminate duplicates Z: 68 39.048 2.117 0.807 0.506 0.925 0.627 CB 1.340 68 residues pruned to eliminate duplicates Z: 39 34.384 2.050 0.732 0.587 0.947 0.684 CB 1.525 39 residues pruned to eliminate duplicates Z: 17 9.626 1.795 0.378 0.517 0.812 0.562 CB 1.178 17 residues pruned to eliminate duplicates Z: 7 11.999 1.670 0.745 0.774 1.000 0.833 CB 1.319 7 residues pruned to eliminate duplicates 6 1.938 1.564 0.575 0.337 0.400 0.400 N 1.051 ? Z: 8 6.958 1.589 0.563 0.672 0.714 0.571 CB 1.265 8 residues pruned to eliminate duplicates Z: 14 20.689 1.939 0.674 0.590 1.000 0.692 CB 1.622 14 residues pruned to eliminate duplicates Z: 6 4.924 1.175 1.063 0.654 1.000 0.600 N 0.787 Z: 18 15.790 1.918 0.938 0.515 0.824 0.647 CB 1.233 18 residues pruned to eliminate duplicates Z: 16 22.487 1.959 0.818 0.572 0.933 0.667 CB 1.629 16 residues pruned to eliminate duplicates Z: 36 22.865 1.911 0.808 0.604 0.886 0.600 CB 1.144 36 residues pruned to eliminate duplicates Z: 14 17.726 1.824 1.090 0.892 0.923 0.538 CB 1.004 14 residues pruned to eliminate duplicates Z: 68 30.423 2.004 0.687 0.418 0.881 0.567 CB 1.361 68 residues pruned to eliminate duplicates Z: 7 3.553 1.276 0.525 0.672 0.833 0.500 CB 0.763 7 residues pruned to eliminate duplicates Z: 10 4.724 1.671 0.252 0.216 0.778 0.444 N 1.352 10 residues pruned to eliminate duplicates Z: 16 5.771 1.686 0.421 0.195 0.733 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 18 14.313 1.994 0.532 0.566 0.941 0.588 CB 1.133 18 residues pruned to eliminate duplicates Z: 22 14.848 1.930 0.582 0.418 0.905 0.714 CB 1.278 22 residues pruned to eliminate duplicates Z: 20 19.964 1.975 0.692 0.550 0.895 0.579 CB 1.460 20 residues pruned to eliminate duplicates Z: 7 4.925 1.586 0.651 0.529 0.833 0.833 CB 0.896 6 residues pruned to eliminate duplicates Z: 44 21.612 2.013 0.644 0.418 0.860 0.605 CB 1.260 44 residues pruned to eliminate duplicates Z: 6 2.360 1.445 0.216 0.294 0.800 0.400 N 0.946 Z: 20 22.571 2.009 0.611 0.777 0.895 0.737 CB 1.401 20 residues pruned to eliminate duplicates Z: 13 18.743 1.588 0.789 0.902 1.000 0.750 N 1.359 12 residues pruned to eliminate duplicates Z: 54 30.976 2.021 0.669 0.525 0.906 0.566 CB 1.358 54 residues pruned to eliminate duplicates Z: 12 26.515 1.941 0.962 0.917 1.000 0.909 CB 1.481 12 residues pruned to eliminate duplicates Z: 6 6.073 1.347 0.614 0.724 1.000 0.800 N 1.021 Z: 25 14.281 1.883 0.820 0.489 0.750 0.542 CB 1.147 25 residues pruned to eliminate duplicates 7 1.234 1.795 0.257 0.083 0.667 0.333 CB 0.574 ? Z: 39 16.213 1.846 0.598 0.394 0.816 0.526 CB 1.223 39 residues pruned to eliminate duplicates Z: 15 19.297 1.882 0.717 0.873 0.929 0.786 CB 1.251 15 residues pruned to eliminate duplicates Z: 12 6.046 1.665 0.477 0.315 0.636 0.273 N 1.430 12 residues pruned to eliminate duplicates Z: 42 30.757 2.023 0.642 0.604 0.902 0.683 CB 1.451 42 residues pruned to eliminate duplicates Z: 42 26.952 2.007 0.689 0.491 0.902 0.659 CB 1.388 42 residues pruned to eliminate duplicates Z: 23 7.973 1.686 0.405 0.392 0.773 0.500 CB 1.041 Z: 21 20.109 1.973 0.611 0.528 0.900 0.650 CB 1.529 21 residues pruned to eliminate duplicates Z: 7 4.872 1.750 0.186 0.559 0.667 0.500 CB 1.357 7 residues pruned to eliminate duplicates Z: 6 2.461 1.552 0.612 0.265 0.600 0.600 CB 0.959 Z: 21 19.085 2.003 0.275 0.792 0.950 0.850 CB 1.361 21 residues pruned to eliminate duplicates Z: 17 10.096 1.975 0.336 0.378 0.938 0.812 CB 1.162 40 residues pruned to eliminate duplicates Z: 10 7.732 1.735 0.790 0.445 0.778 0.556 CB 1.130 10 residues pruned to eliminate duplicates Z: 11 6.764 1.688 0.377 0.739 0.900 0.700 CB 0.826 11 residues pruned to eliminate duplicates Z: 6 2.926 1.329 0.615 0.293 0.800 0.400 CB 0.961 Z: 21 19.268 2.086 0.835 0.420 0.800 0.500 CB 1.530 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 32 21.511 2.006 0.399 0.612 0.903 0.677 CB 1.371 32 residues pruned to eliminate duplicates Z: 11 13.020 2.038 0.407 0.715 0.800 0.600 CB 1.477 11 residues pruned to eliminate duplicates Z: 14 16.816 2.105 0.560 0.541 1.000 0.538 CB 1.364 14 residues pruned to eliminate duplicates Z: 28 22.116 2.101 0.613 0.546 0.926 0.630 CB 1.297 28 residues pruned to eliminate duplicates Z: 55 25.171 2.049 0.571 0.442 0.889 0.667 CB 1.271 55 residues pruned to eliminate duplicates Z: 30 22.503 2.100 0.607 0.563 0.897 0.759 CB 1.299 30 residues pruned to eliminate duplicates Z: 28 20.844 2.104 0.338 0.608 0.926 0.704 CB 1.389 28 residues pruned to eliminate duplicates Z: 28 23.698 2.076 0.586 0.591 0.963 0.667 CB 1.318 28 residues pruned to eliminate duplicates Z: 21 16.326 2.045 0.658 0.471 0.900 0.650 CB 1.232 21 residues pruned to eliminate duplicates Z: 28 27.961 2.120 0.545 0.654 1.000 0.815 CB 1.424 28 residues pruned to eliminate duplicates Z: 28 22.744 2.105 0.604 0.602 0.926 0.778 CB 1.270 28 residues pruned to eliminate duplicates Z: 19 17.147 2.136 0.275 0.682 0.944 0.944 CB 1.330 19 residues pruned to eliminate duplicates Z: 41 17.527 2.000 0.562 0.342 0.900 0.650 CB 1.170 41 residues pruned to eliminate duplicates Z: 21 18.818 2.078 0.589 0.613 0.900 0.800 CB 1.271 21 residues pruned to eliminate duplicates Z: 31 22.096 2.080 0.588 0.588 0.933 0.733 CB 1.203 31 residues pruned to eliminate duplicates Z: 25 14.566 1.999 0.384 0.529 0.875 0.625 CB 1.193 25 residues pruned to eliminate duplicates Z: 29 22.449 2.070 0.761 0.566 0.893 0.714 CB 1.223 29 residues pruned to eliminate duplicates Z: 28 26.384 2.079 0.812 0.628 0.926 0.778 CB 1.291 28 residues pruned to eliminate duplicates Z: 28 24.656 2.052 0.783 0.572 0.926 0.630 CB 1.307 28 residues pruned to eliminate duplicates Z: 53 22.044 1.965 0.699 0.417 0.827 0.635 CB 1.208 53 residues pruned to eliminate duplicates Z: 21 20.402 2.084 0.731 0.601 0.950 0.650 CB 1.210 21 residues pruned to eliminate duplicates Z: 33 22.313 2.047 0.950 0.482 0.812 0.562 CB 1.238 33 residues pruned to eliminate duplicates Z: 27 19.185 1.975 0.909 0.489 0.769 0.538 CB 1.312 27 residues pruned to eliminate duplicates Z: 31 26.485 2.082 0.921 0.583 0.867 0.633 CB 1.288 31 residues pruned to eliminate duplicates Z: 28 26.841 2.082 0.904 0.585 0.926 0.444 CB 1.297 28 residues pruned to eliminate duplicates Z: 55 31.699 2.064 0.783 0.504 0.907 0.611 CB 1.287 55 residues pruned to eliminate duplicates Z: 89 42.941 2.057 0.754 0.545 0.920 0.693 CB 1.320 89 residues pruned to eliminate duplicates Z: 32 23.228 2.089 0.746 0.500 0.903 0.645 CB 1.266 32 residues pruned to eliminate duplicates Z: 48 24.788 2.016 0.743 0.424 0.872 0.532 CB 1.277 48 residues pruned to eliminate duplicates Z: 38 26.900 2.096 0.645 0.495 0.946 0.595 CB 1.363 38 residues pruned to eliminate duplicates Z: 50 28.256 2.067 0.667 0.401 0.857 0.633 CB 1.517 50 residues pruned to eliminate duplicates Z: 106 48.239 2.072 0.736 0.502 0.876 0.619 CB 1.491 106 residues pruned to eliminate duplicates Z: 45 26.802 2.077 0.713 0.428 0.932 0.659 CB 1.313 45 residues pruned to eliminate duplicates Z: 47 21.211 2.014 0.615 0.463 0.870 0.565 CB 1.148 47 residues pruned to eliminate duplicates Z: 61 26.594 2.038 0.769 0.402 0.850 0.550 CB 1.243 61 residues pruned to eliminate duplicates Z: 75 32.486 2.058 0.650 0.476 0.838 0.595 CB 1.360 75 residues pruned to eliminate duplicates Z: 28 17.438 2.002 0.562 0.342 0.889 0.667 CB 1.434 28 residues pruned to eliminate duplicates Z: 26 18.039 2.020 0.655 0.384 0.920 0.560 CB 1.327 26 residues pruned to eliminate duplicates Z: 42 21.660 1.981 0.743 0.361 0.854 0.610 CB 1.333 42 residues pruned to eliminate duplicates Z: 46 24.411 2.034 0.834 0.452 0.889 0.533 CB 1.153 46 residues pruned to eliminate duplicates Z: 47 27.354 2.088 0.726 0.432 0.913 0.696 CB 1.315 47 residues pruned to eliminate duplicates Z: 76 38.451 2.103 0.708 0.490 0.907 0.653 CB 1.377 76 residues pruned to eliminate duplicates Z: 30 17.299 1.993 0.719 0.305 0.862 0.586 CB 1.351 30 residues pruned to eliminate duplicates Z: 50 23.379 2.044 0.625 0.401 0.878 0.612 CB 1.271 50 residues pruned to eliminate duplicates Z: 26 20.077 2.072 0.825 0.345 0.920 0.600 CB 1.366 26 residues pruned to eliminate duplicates Z: 30 24.178 1.882 1.001 0.530 0.862 0.621 CB 1.343 30 residues pruned to eliminate duplicates Z: 53 31.447 2.109 0.711 0.471 0.923 0.596 CB 1.349 53 residues pruned to eliminate duplicates Z: 55 37.101 2.106 0.695 0.599 0.963 0.685 CB 1.336 55 residues pruned to eliminate duplicates Z: 12 8.567 1.952 0.834 0.245 0.818 0.727 CB 1.185 12 residues pruned to eliminate duplicates Z: 12 7.480 1.915 0.683 0.217 0.909 0.636 CB 1.074 12 residues pruned to eliminate duplicates Z: 76 41.156 2.107 0.808 0.508 0.907 0.667 CB 1.366 76 residues pruned to eliminate duplicates Z: 38 35.632 2.059 0.918 0.538 0.946 0.568 CB 1.511 38 residues pruned to eliminate duplicates Z: 79 36.841 2.102 0.588 0.491 0.923 0.654 CB 1.366 79 residues pruned to eliminate duplicates Z: 32 26.437 2.139 0.727 0.504 0.903 0.806 CB 1.418 32 residues pruned to eliminate duplicates Z: 31 28.945 2.161 0.807 0.526 0.933 0.700 CB 1.413 31 residues pruned to eliminate duplicates Z: 71 39.440 2.113 0.640 0.513 0.943 0.671 CB 1.424 71 residues pruned to eliminate duplicates Z: 77 40.429 2.108 0.773 0.506 0.882 0.645 CB 1.398 77 residues pruned to eliminate duplicates Z: 120 52.628 2.086 0.751 0.539 0.908 0.647 CB 1.399 120 residues pruned to eliminate duplicates Z: 69 39.572 2.117 0.685 0.541 0.941 0.662 CB 1.373 69 residues pruned to eliminate duplicates Z: 117 45.831 2.078 0.725 0.473 0.871 0.569 CB 1.401 117 residues pruned to eliminate duplicates Z: 51 32.929 2.124 0.709 0.467 0.940 0.620 CB 1.412 51 residues pruned to eliminate duplicates Z: 21 21.305 2.116 0.657 0.521 0.850 0.700 CB 1.565 21 residues pruned to eliminate duplicates Z: 43 39.753 2.131 0.680 0.624 0.976 0.762 CB 1.561 43 residues pruned to eliminate duplicates Z: 44 40.735 2.155 0.673 0.659 0.953 0.674 CB 1.559 44 residues pruned to eliminate duplicates Z: 126 52.201 2.087 0.707 0.521 0.896 0.632 CB 1.432 126 residues pruned to eliminate duplicates Z: 59 27.953 2.094 0.571 0.427 0.897 0.569 CB 1.343 59 residues pruned to eliminate duplicates Z: 24 29.514 2.159 0.768 0.602 0.870 0.739 CB 1.682 24 residues pruned to eliminate duplicates Z: 115 54.517 2.117 0.782 0.545 0.912 0.614 CB 1.419 115 residues pruned to eliminate duplicates Z: 93 45.419 2.108 0.791 0.502 0.891 0.674 CB 1.405 93 residues pruned to eliminate duplicates Z: 118 44.258 2.056 0.681 0.457 0.872 0.564 CB 1.419 118 residues pruned to eliminate duplicates Z: 91 46.589 2.068 0.716 0.531 0.889 0.622 CB 1.511 91 residues pruned to eliminate duplicates Z: 44 37.408 2.146 0.781 0.635 0.907 0.698 CB 1.449 44 residues pruned to eliminate duplicates Z: 136 54.683 2.081 0.728 0.508 0.911 0.607 CB 1.425 136 residues pruned to eliminate duplicates Z: 39 40.127 2.171 0.795 0.612 0.947 0.737 CB 1.585 39 residues pruned to eliminate duplicates Z: 78 44.859 2.113 0.639 0.574 0.922 0.662 CB 1.491 78 residues pruned to eliminate duplicates Z: 72 41.984 2.103 0.697 0.527 0.944 0.606 CB 1.440 72 residues pruned to eliminate duplicates Z: 124 48.940 2.072 0.779 0.474 0.862 0.569 CB 1.426 124 residues pruned to eliminate duplicates Z: 72 39.328 2.079 0.746 0.512 0.915 0.676 CB 1.388 72 residues pruned to eliminate duplicates Z: 109 49.046 2.092 0.763 0.532 0.898 0.528 CB 1.381 110 residues pruned to eliminate duplicates Z: 7 3.609 1.361 0.619 0.411 1.000 0.500 N 0.734 7 residues pruned to eliminate duplicates Z: 42 40.364 2.163 0.795 0.638 0.951 0.732 CB 1.500 42 residues pruned to eliminate duplicates Z: 76 61.055 2.177 0.956 0.604 0.933 0.720 CB 1.607 76 residues pruned to eliminate duplicates Z: 93 42.037 2.109 0.740 0.506 0.880 0.630 CB 1.349 93 residues pruned to eliminate duplicates Z: 56 40.340 2.092 0.784 0.568 0.891 0.618 CB 1.532 56 residues pruned to eliminate duplicates Z: 97 46.620 2.107 0.715 0.531 0.917 0.562 CB 1.393 97 residues pruned to eliminate duplicates Z: 112 48.871 2.096 0.715 0.533 0.910 0.640 CB 1.373 112 residues pruned to eliminate duplicates Z: 45 38.365 2.154 0.826 0.642 0.864 0.705 CB 1.491 45 residues pruned to eliminate duplicates Z: 87 41.687 2.103 0.808 0.495 0.895 0.616 CB 1.327 87 residues pruned to eliminate duplicates Z: 68 35.875 2.087 0.781 0.459 0.896 0.597 CB 1.373 68 residues pruned to eliminate duplicates Z: 38 30.951 2.035 0.815 0.499 0.892 0.486 CB 1.547 38 residues pruned to eliminate duplicates Z: 74 48.048 2.113 0.885 0.496 0.904 0.575 CB 1.567 74 residues pruned to eliminate duplicates Z: 89 41.439 2.092 0.763 0.500 0.875 0.602 CB 1.369 89 residues pruned to eliminate duplicates Z: 60 48.194 2.098 0.864 0.603 0.949 0.576 CB 1.533 60 residues pruned to eliminate duplicates Z: 81 45.923 2.091 0.841 0.510 0.900 0.588 CB 1.467 81 residues pruned to eliminate duplicates Z: 107 55.992 2.111 0.883 0.566 0.925 0.585 CB 1.389 107 residues pruned to eliminate duplicates Z: 80 48.161 2.130 0.863 0.533 0.873 0.608 CB 1.514 80 residues pruned to eliminate duplicates Z: 19 18.395 2.021 0.753 0.575 0.778 0.611 CB 1.464 19 residues pruned to eliminate duplicates Z: 12 25.942 2.158 0.984 0.751 0.909 0.545 CB 1.606 12 residues pruned to eliminate duplicates Z: 66 47.518 2.131 0.877 0.613 0.892 0.677 CB 1.484 66 residues pruned to eliminate duplicates Z: 103 46.073 2.069 0.798 0.475 0.873 0.539 CB 1.441 103 residues pruned to eliminate duplicates Z: 59 50.675 2.155 0.945 0.613 0.931 0.603 CB 1.533 59 residues pruned to eliminate duplicates Z: 41 35.471 2.096 0.763 0.652 0.900 0.650 CB 1.464 41 residues pruned to eliminate duplicates Z: 38 35.585 2.087 0.766 0.555 0.946 0.649 CB 1.591 38 residues pruned to eliminate duplicates Z: 33 35.093 2.176 0.944 0.548 0.844 0.625 CB 1.660 33 residues pruned to eliminate duplicates Z: 25 31.628 2.132 0.903 0.570 0.917 0.542 CB 1.622 25 residues pruned to eliminate duplicates Z: 117 51.848 2.020 0.856 0.520 0.879 0.629 CB 1.431 53 residues pruned to eliminate duplicates Z: 6 5.821 1.832 0.779 0.439 0.600 0.200 CB 1.418 Z: 7 4.472 1.744 1.013 0.186 0.667 0.333 CB 1.138 6 residues pruned to eliminate duplicates Z: 6 8.092 1.598 0.955 0.423 1.000 0.800 C 1.255 6 residues pruned to eliminate duplicates Z: 17 17.320 2.019 0.854 0.458 0.812 0.562 CB 1.486 17 residues pruned to eliminate duplicates Z: 27 22.513 1.948 0.796 0.507 1.000 0.692 CB 1.253 27 residues pruned to eliminate duplicates Z: 20 13.892 1.833 0.637 0.408 0.789 0.526 CB 1.482 20 residues pruned to eliminate duplicates Z: 24 11.387 1.838 0.493 0.417 0.739 0.478 CB 1.277 46 residues pruned to eliminate duplicates Z: 21 16.529 1.969 0.748 0.398 0.750 0.450 CB 1.595 28 residues pruned to eliminate duplicates Z: 18 14.213 1.927 0.571 0.427 0.882 0.471 CB 1.392 18 residues pruned to eliminate duplicates Z: 19 14.749 1.907 0.704 0.451 0.889 0.500 CB 1.266 19 residues pruned to eliminate duplicates Z: 70 33.117 1.994 0.708 0.509 0.899 0.507 CB 1.291 70 residues pruned to eliminate duplicates Z: 102 49.163 2.058 0.814 0.497 0.871 0.554 CB 1.509 102 residues pruned to eliminate duplicates Z: 61 28.171 1.986 0.761 0.439 0.833 0.533 CB 1.329 61 residues pruned to eliminate duplicates Z: 22 15.770 1.941 0.611 0.410 0.857 0.476 CB 1.412 22 residues pruned to eliminate duplicates Z: 41 33.652 2.079 0.826 0.542 0.875 0.650 CB 1.537 41 residues pruned to eliminate duplicates Z: 23 11.133 1.902 0.845 0.358 0.818 0.455 CB 0.963 23 residues pruned to eliminate duplicates Z: 25 10.661 1.860 0.778 0.324 0.792 0.417 CB 1.009 25 residues pruned to eliminate duplicates Z: 10 9.957 1.778 1.003 0.409 0.889 0.667 CB 1.153 10 residues pruned to eliminate duplicates Z: 28 16.105 1.892 0.722 0.411 0.889 0.630 CB 1.175 28 residues pruned to eliminate duplicates Z: 22 12.301 1.908 0.718 0.389 0.857 0.571 CB 1.075 22 residues pruned to eliminate duplicates Z: 21 12.376 1.908 0.865 0.356 0.900 0.500 CB 1.010 21 residues pruned to eliminate duplicates Z: 51 24.307 1.992 0.606 0.483 0.820 0.560 CB 1.333 51 residues pruned to eliminate duplicates Z: 22 13.577 1.946 0.681 0.415 0.905 0.524 CB 1.094 22 residues pruned to eliminate duplicates Z: 16 10.695 1.945 0.854 0.369 0.867 0.600 CB 1.017 16 residues pruned to eliminate duplicates Z: 51 27.821 2.047 0.766 0.525 0.880 0.600 CB 1.207 51 residues pruned to eliminate duplicates Z: 17 12.361 1.957 0.718 0.361 0.875 0.438 CB 1.220 17 residues pruned to eliminate duplicates Z: 21 13.561 1.958 0.756 0.386 0.850 0.650 CB 1.171 21 residues pruned to eliminate duplicates Z: 21 19.933 2.006 0.870 0.464 0.950 0.700 CB 1.297 21 residues pruned to eliminate duplicates Z: 21 15.787 1.995 0.702 0.440 0.900 0.600 CB 1.230 21 residues pruned to eliminate duplicates Z: 25 18.343 1.929 0.826 0.459 0.917 0.542 CB 1.209 25 residues pruned to eliminate duplicates Z: 46 25.430 1.977 0.884 0.479 0.867 0.556 CB 1.199 46 residues pruned to eliminate duplicates Z: 22 16.643 1.955 0.691 0.508 0.905 0.667 CB 1.204 22 residues pruned to eliminate duplicates Z: 21 16.661 1.966 0.914 0.439 0.900 0.600 CB 1.171 21 residues pruned to eliminate duplicates Z: 53 33.178 2.039 0.703 0.547 0.942 0.654 CB 1.343 53 residues pruned to eliminate duplicates Z: 8 5.732 1.870 0.388 0.544 0.857 0.429 CB 0.932 8 residues pruned to eliminate duplicates Z: 38 32.082 2.087 0.749 0.616 0.919 0.541 CB 1.409 38 residues pruned to eliminate duplicates Z: 54 33.079 2.025 0.669 0.579 0.943 0.623 CB 1.321 54 residues pruned to eliminate duplicates Z: 161 64.627 2.092 0.803 0.528 0.925 0.613 CB 1.424 161 residues pruned to eliminate duplicates Z: 176 64.728 2.083 0.783 0.533 0.909 0.646 CB 1.403 176 residues pruned to eliminate duplicates Z: 54 32.102 2.045 0.716 0.574 0.925 0.679 CB 1.265 54 residues pruned to eliminate duplicates Z: 52 33.022 2.058 0.710 0.551 0.922 0.588 CB 1.357 52 residues pruned to eliminate duplicates Z: 41 26.221 2.036 0.616 0.548 0.875 0.700 CB 1.373 41 residues pruned to eliminate duplicates Z: 53 35.559 2.076 0.705 0.559 0.942 0.673 CB 1.395 53 residues pruned to eliminate duplicates Z: 51 32.161 2.065 0.720 0.536 0.880 0.600 CB 1.404 51 residues pruned to eliminate duplicates Z: 41 27.755 2.054 0.621 0.588 0.925 0.600 CB 1.309 41 residues pruned to eliminate duplicates Z: 53 31.802 2.038 0.714 0.540 0.923 0.635 CB 1.315 53 residues pruned to eliminate duplicates Z: 53 35.275 2.073 0.811 0.546 0.923 0.654 CB 1.350 53 residues pruned to eliminate duplicates Z: 53 33.840 2.074 0.730 0.536 0.942 0.654 CB 1.340 53 residues pruned to eliminate duplicates Z: 52 31.749 2.052 0.688 0.548 0.941 0.588 CB 1.301 52 residues pruned to eliminate duplicates Z: 53 29.419 2.024 0.615 0.540 0.962 0.654 CB 1.248 53 residues pruned to eliminate duplicates Z: 52 34.461 2.071 0.756 0.555 0.902 0.627 CB 1.394 52 residues pruned to eliminate duplicates Z: 37 34.649 2.107 0.727 0.649 1.000 0.667 CB 1.381 37 residues pruned to eliminate duplicates Z: 52 30.819 2.083 0.668 0.569 0.882 0.627 CB 1.317 52 residues pruned to eliminate duplicates Z: 52 34.585 2.076 0.661 0.558 0.961 0.608 CB 1.381 52 residues pruned to eliminate duplicates Z: 54 37.754 2.068 0.833 0.584 0.943 0.642 CB 1.337 54 residues pruned to eliminate duplicates Z: 54 30.579 2.057 0.665 0.526 0.906 0.604 CB 1.320 54 residues pruned to eliminate duplicates Z: 52 33.497 2.044 0.784 0.546 0.902 0.588 CB 1.363 52 residues pruned to eliminate duplicates Z: 54 37.962 2.045 0.836 0.592 0.962 0.642 CB 1.322 54 residues pruned to eliminate duplicates Z: 54 36.334 2.049 0.778 0.573 0.925 0.585 CB 1.381 54 residues pruned to eliminate duplicates Z: 54 35.797 2.048 0.869 0.589 0.925 0.755 CB 1.276 54 residues pruned to eliminate duplicates Z: 52 37.643 2.088 0.850 0.599 0.941 0.627 CB 1.319 52 residues pruned to eliminate duplicates Z: 53 33.290 2.044 0.743 0.546 0.923 0.596 CB 1.342 53 residues pruned to eliminate duplicates Z: 52 37.667 2.084 0.790 0.593 0.941 0.667 CB 1.374 52 residues pruned to eliminate duplicates Z: 37 28.588 2.051 0.725 0.608 0.944 0.528 CB 1.287 37 residues pruned to eliminate duplicates Z: 54 38.340 2.067 0.823 0.579 0.943 0.642 CB 1.373 54 residues pruned to eliminate duplicates Z: 54 30.432 2.051 0.654 0.536 0.906 0.623 CB 1.314 54 residues pruned to eliminate duplicates Z: 49 36.396 2.117 0.706 0.612 0.938 0.688 CB 1.396 49 residues pruned to eliminate duplicates Z: 59 36.043 2.086 0.686 0.569 0.862 0.569 CB 1.461 59 residues pruned to eliminate duplicates Z: 46 39.814 2.127 0.852 0.629 0.911 0.600 CB 1.465 45 residues pruned to eliminate duplicates Z: 23 21.827 1.993 0.713 0.696 0.864 0.591 CB 1.320 23 residues pruned to eliminate duplicates Z: 32 24.634 2.070 0.745 0.536 0.839 0.645 CB 1.409 32 residues pruned to eliminate duplicates Z: 25 21.311 2.127 0.691 0.519 0.875 0.542 CB 1.358 25 residues pruned to eliminate duplicates Z: 59 37.778 2.085 0.635 0.582 0.931 0.655 CB 1.444 59 residues pruned to eliminate duplicates Z: 44 35.359 2.135 0.760 0.619 0.884 0.744 CB 1.452 44 residues pruned to eliminate duplicates Z: 36 19.839 1.923 0.580 0.433 0.857 0.514 CB 1.380 36 residues pruned to eliminate duplicates Z: 44 39.411 2.122 0.907 0.578 0.930 0.535 CB 1.482 44 residues pruned to eliminate duplicates Z: 59 40.949 2.115 0.729 0.592 0.931 0.672 CB 1.447 59 residues pruned to eliminate duplicates Z: 50 43.208 2.159 0.682 0.663 0.980 0.673 CB 1.492 50 residues pruned to eliminate duplicates Z: 46 37.825 2.079 0.855 0.625 0.889 0.711 CB 1.463 46 residues pruned to eliminate duplicates Z: 51 42.276 2.159 0.698 0.665 0.960 0.720 CB 1.459 51 residues pruned to eliminate duplicates Z: 43 46.405 2.169 0.818 0.709 1.000 0.786 CB 1.502 43 residues pruned to eliminate duplicates Z: 43 42.154 2.147 0.708 0.698 1.000 0.786 CB 1.481 43 residues pruned to eliminate duplicates Z: 50 36.113 2.128 0.611 0.648 0.898 0.735 CB 1.460 50 residues pruned to eliminate duplicates Z: 27 21.861 1.987 0.579 0.666 0.923 0.769 CB 1.270 27 residues pruned to eliminate duplicates Z: 52 39.320 2.067 0.752 0.607 0.941 0.706 CB 1.459 52 residues pruned to eliminate duplicates Z: 38 37.260 2.110 0.801 0.641 1.000 0.676 CB 1.413 38 residues pruned to eliminate duplicates Z: 106 44.506 2.061 0.765 0.503 0.905 0.657 CB 1.316 106 residues pruned to eliminate duplicates Z: 43 33.778 2.087 0.908 0.591 0.905 0.571 CB 1.326 43 residues pruned to eliminate duplicates Z: 59 40.375 2.087 0.832 0.590 0.931 0.638 CB 1.367 59 residues pruned to eliminate duplicates Z: 58 39.499 2.104 0.761 0.594 0.912 0.702 CB 1.415 58 residues pruned to eliminate duplicates Z: 52 39.457 2.143 0.649 0.643 0.961 0.706 CB 1.424 52 residues pruned to eliminate duplicates Z: 43 44.185 2.143 0.851 0.685 0.976 0.738 CB 1.486 43 residues pruned to eliminate duplicates Z: 46 39.050 2.107 0.861 0.587 0.933 0.622 CB 1.463 46 residues pruned to eliminate duplicates Z: 86 48.945 2.085 0.882 0.583 0.906 0.718 CB 1.379 148 residues pruned to eliminate duplicates Z: 51 43.134 2.156 0.784 0.639 0.940 0.740 CB 1.480 Z: 19 30.961 2.023 0.804 0.903 1.000 0.667 CB 1.425 19 residues pruned to eliminate duplicates Z: 44 42.716 2.154 0.857 0.693 0.977 0.698 CB 1.398 44 residues pruned to eliminate duplicates Z: 19 32.224 2.026 1.117 0.927 1.000 0.889 CB 1.242 19 residues pruned to eliminate duplicates Z: 50 43.221 2.149 0.817 0.669 0.980 0.673 CB 1.380 49 residues pruned to eliminate duplicates Z: 20 31.071 1.920 1.094 0.856 0.947 0.684 CB 1.380 20 residues pruned to eliminate duplicates Z: 51 39.760 2.132 0.816 0.611 0.920 0.620 CB 1.420 51 residues pruned to eliminate duplicates Z: 59 43.206 2.096 0.901 0.622 0.914 0.672 CB 1.388 52 residues pruned to eliminate duplicates Z: 17 33.764 2.037 1.123 0.911 1.000 0.562 CB 1.384 17 residues pruned to eliminate duplicates Z: 52 44.727 2.132 0.896 0.652 0.941 0.569 CB 1.429 52 residues pruned to eliminate duplicates Z: 52 40.835 2.115 0.813 0.633 0.922 0.667 CB 1.428 52 residues pruned to eliminate duplicates Z: 53 47.015 2.136 0.821 0.632 0.981 0.712 CB 1.509 52 residues pruned to eliminate duplicates Z: 19 33.376 2.034 1.128 0.816 1.000 0.444 CB 1.381 19 residues pruned to eliminate duplicates Z: 51 49.112 2.141 0.887 0.684 1.000 0.580 CB 1.452 53 residues pruned to eliminate duplicates Z: 24 30.617 1.996 0.904 0.760 1.000 0.696 CB 1.333 24 residues pruned to eliminate duplicates Z: 51 49.460 2.167 0.874 0.672 1.000 0.660 CB 1.471 51 residues pruned to eliminate duplicates Z: 6 3.940 1.514 0.903 0.164 0.800 0.400 CB 1.152 6 residues pruned to eliminate duplicates Z: 59 42.095 2.116 0.875 0.593 0.914 0.569 CB 1.395 59 residues pruned to eliminate duplicates Z: 36 36.181 2.063 0.832 0.704 0.971 0.629 CB 1.383 36 residues pruned to eliminate duplicates Z: 61 46.497 2.109 0.890 0.617 0.950 0.683 CB 1.420 59 residues pruned to eliminate duplicates Z: 6 2.567 1.479 0.372 0.268 0.800 0.400 C 0.921 6 residues pruned to eliminate duplicates Z: 16 12.861 1.862 0.554 0.597 0.867 0.667 CB 1.207 16 residues pruned to eliminate duplicates Z: 53 22.065 1.837 0.604 0.473 0.808 0.558 CB 1.321 58 residues pruned to eliminate duplicates Z: 20 15.209 1.806 0.494 0.693 0.895 0.684 CB 1.212 20 residues pruned to eliminate duplicates Z: 18 13.253 1.772 0.722 0.582 0.882 0.647 CB 1.104 18 residues pruned to eliminate duplicates Z: 18 15.525 1.838 0.571 0.592 0.941 0.529 CB 1.269 18 residues pruned to eliminate duplicates Z: 17 15.741 1.897 0.602 0.622 0.812 0.625 CB 1.421 24 residues pruned to eliminate duplicates Z: 18 18.847 1.837 0.656 0.701 0.882 0.588 CB 1.417 18 residues pruned to eliminate duplicates Z: 35 30.097 1.967 0.620 0.693 0.941 0.559 CB 1.442 35 residues pruned to eliminate duplicates Z: 17 16.299 1.882 0.483 0.704 0.875 0.500 CB 1.386 17 residues pruned to eliminate duplicates Z: 26 19.010 1.828 0.638 0.567 0.960 0.600 CB 1.239 26 residues pruned to eliminate duplicates Z: 37 17.680 1.805 0.594 0.475 0.861 0.444 CB 1.220 34 residues pruned to eliminate duplicates Z: 21 16.293 1.695 0.434 0.737 0.950 0.600 CB 1.275 21 residues pruned to eliminate duplicates Z: 67 36.111 1.911 0.715 0.586 0.939 0.621 CB 1.329 67 residues pruned to eliminate duplicates Z: 52 24.180 1.868 0.598 0.524 0.902 0.549 CB 1.227 52 residues pruned to eliminate duplicates Z: 38 30.622 1.907 0.628 0.712 0.973 0.730 CB 1.375 38 residues pruned to eliminate duplicates Z: 27 22.531 1.913 0.412 0.673 0.962 0.692 CB 1.450 27 residues pruned to eliminate duplicates Z: 33 18.730 1.932 0.581 0.515 0.844 0.531 CB 1.266 33 residues pruned to eliminate duplicates Z: 36 29.321 1.930 0.616 0.703 0.971 0.629 CB 1.360 36 residues pruned to eliminate duplicates Z: 35 25.308 1.902 0.724 0.616 0.912 0.647 CB 1.301 35 residues pruned to eliminate duplicates Z: 37 23.297 1.933 0.603 0.623 0.917 0.639 CB 1.217 37 residues pruned to eliminate duplicates Z: 34 25.814 1.936 0.645 0.645 0.909 0.636 CB 1.355 34 residues pruned to eliminate duplicates Z: 30 21.062 1.956 0.670 0.525 0.862 0.655 CB 1.355 30 residues pruned to eliminate duplicates Z: 23 18.715 1.887 0.616 0.601 0.864 0.500 CB 1.376 23 residues pruned to eliminate duplicates Z: 21 22.046 1.994 0.736 0.712 0.850 0.700 CB 1.383 21 residues pruned to eliminate duplicates Z: 36 25.871 1.915 0.709 0.627 0.914 0.686 CB 1.296 36 residues pruned to eliminate duplicates Z: 18 18.961 2.022 0.673 0.607 0.824 0.412 CB 1.491 18 residues pruned to eliminate duplicates Z: 25 27.988 1.969 0.737 0.801 0.917 0.750 CB 1.401 25 residues pruned to eliminate duplicates Z: 27 23.886 1.965 0.781 0.670 0.885 0.615 CB 1.293 27 residues pruned to eliminate duplicates Z: 26 25.387 1.967 0.742 0.720 0.880 0.640 CB 1.379 26 residues pruned to eliminate duplicates Z: 39 32.530 1.971 0.794 0.708 0.921 0.605 CB 1.341 39 residues pruned to eliminate duplicates Z: 32 24.966 1.872 0.809 0.639 0.903 0.548 CB 1.287 32 residues pruned to eliminate duplicates Z: 23 28.450 1.997 0.806 0.799 0.909 0.727 CB 1.425 23 residues pruned to eliminate duplicates Z: 56 31.897 1.891 0.778 0.588 0.873 0.545 CB 1.348 56 residues pruned to eliminate duplicates Z: 50 33.253 1.932 0.762 0.660 0.939 0.653 CB 1.281 50 residues pruned to eliminate duplicates Z: 23 26.983 1.948 0.832 0.757 0.955 0.682 CB 1.344 23 residues pruned to eliminate duplicates Z: 34 29.194 1.971 0.732 0.664 0.939 0.848 CB 1.362 34 residues pruned to eliminate duplicates Z: 31 30.776 1.963 0.931 0.667 0.900 0.700 CB 1.411 31 residues pruned to eliminate duplicates Z: 30 25.835 1.934 0.870 0.606 0.862 0.483 CB 1.392 30 residues pruned to eliminate duplicates Z: 36 27.638 1.930 0.908 0.585 0.857 0.543 CB 1.365 36 residues pruned to eliminate duplicates Z: 50 29.416 1.905 0.706 0.576 0.898 0.510 CB 1.338 50 residues pruned to eliminate duplicates Z: 46 33.542 1.943 0.764 0.646 0.956 0.667 CB 1.332 46 residues pruned to eliminate duplicates Z: 36 19.275 1.834 0.853 0.534 0.771 0.457 CB 1.202 36 residues pruned to eliminate duplicates Z: 48 32.875 1.986 0.733 0.639 0.872 0.574 CB 1.402 48 residues pruned to eliminate duplicates Z: 62 38.391 1.969 0.719 0.637 0.934 0.689 CB 1.368 62 residues pruned to eliminate duplicates Z: 66 37.865 1.940 0.714 0.625 0.923 0.554 CB 1.360 66 residues pruned to eliminate duplicates Z: 18 18.689 2.043 0.434 0.677 1.000 0.882 CB 1.314 18 residues pruned to eliminate duplicates Z: 20 17.186 2.001 0.429 0.608 1.000 0.842 CB 1.245 20 residues pruned to eliminate duplicates Z: 20 17.749 2.006 0.521 0.612 0.947 0.684 CB 1.266 20 residues pruned to eliminate duplicates Z: 18 18.046 2.073 0.486 0.669 0.941 0.765 CB 1.292 18 residues pruned to eliminate duplicates Z: 18 18.557 2.070 0.503 0.658 1.000 0.824 CB 1.249 18 residues pruned to eliminate duplicates Z: 32 18.197 1.969 0.658 0.604 0.839 0.742 CB 1.080 45 residues pruned to eliminate duplicates Z: 44 22.792 1.993 0.552 0.454 0.930 0.721 CB 1.266 44 residues pruned to eliminate duplicates Z: 48 31.089 1.985 0.682 0.674 0.851 0.574 CB 1.360 48 residues pruned to eliminate duplicates Z: 19 16.917 1.895 0.418 0.606 1.000 0.778 CB 1.341 19 residues pruned to eliminate duplicates Z: 71 33.951 1.908 0.731 0.651 0.843 0.614 CB 1.267 71 residues pruned to eliminate duplicates Z: 22 16.150 1.931 0.588 0.673 0.857 0.714 CB 1.143 22 residues pruned to eliminate duplicates Z: 19 17.331 2.035 0.448 0.722 1.000 0.944 CB 1.135 19 residues pruned to eliminate duplicates Z: 19 18.188 2.034 0.464 0.553 0.944 0.833 CB 1.447 19 residues pruned to eliminate duplicates Z: 19 15.532 1.912 0.504 0.525 0.944 0.833 CB 1.316 19 residues pruned to eliminate duplicates Z: 44 21.692 1.963 0.701 0.370 0.884 0.698 CB 1.288 44 residues pruned to eliminate duplicates Z: 31 21.977 2.005 0.645 0.457 0.967 0.700 CB 1.316 31 residues pruned to eliminate duplicates Z: 32 22.510 2.044 0.630 0.507 0.968 0.581 CB 1.246 32 residues pruned to eliminate duplicates Z: 41 20.821 1.999 0.576 0.351 0.900 0.650 CB 1.365 41 residues pruned to eliminate duplicates Z: 100 40.036 1.941 0.723 0.492 0.909 0.606 CB 1.334 100 residues pruned to eliminate duplicates Z: 51 22.978 1.947 0.752 0.403 0.840 0.540 CB 1.256 51 residues pruned to eliminate duplicates Z: 41 22.508 2.038 0.601 0.383 0.900 0.600 CB 1.372 41 residues pruned to eliminate duplicates Z: 27 13.372 1.975 0.481 0.326 0.846 0.577 CB 1.283 27 residues pruned to eliminate duplicates Z: 44 22.904 2.019 0.725 0.410 0.884 0.581 CB 1.247 44 residues pruned to eliminate duplicates Z: 26 23.748 2.036 0.616 0.542 0.960 0.760 CB 1.443 26 residues pruned to eliminate duplicates Z: 30 13.617 1.916 0.578 0.265 0.793 0.586 CB 1.379 30 residues pruned to eliminate duplicates Z: 17 16.512 1.938 0.832 0.395 0.938 0.625 CB 1.385 17 residues pruned to eliminate duplicates Z: 46 24.836 1.983 0.728 0.387 0.933 0.644 CB 1.306 46 residues pruned to eliminate duplicates Z: 42 25.966 2.026 0.628 0.460 0.951 0.732 CB 1.346 42 residues pruned to eliminate duplicates Z: 49 23.557 1.921 0.667 0.410 0.854 0.604 CB 1.366 49 residues pruned to eliminate duplicates Z: 29 16.699 1.995 0.654 0.314 0.857 0.536 CB 1.371 29 residues pruned to eliminate duplicates Z: 29 16.291 1.977 0.662 0.329 0.893 0.607 CB 1.265 29 residues pruned to eliminate duplicates Z: 43 25.939 1.987 0.733 0.412 0.905 0.690 CB 1.409 43 residues pruned to eliminate duplicates Z: 29 17.809 1.960 0.522 0.331 1.000 0.643 CB 1.358 29 residues pruned to eliminate duplicates Z: 47 25.334 2.002 0.695 0.397 0.935 0.652 CB 1.312 47 residues pruned to eliminate duplicates Z: 64 35.563 2.044 0.706 0.488 0.984 0.746 CB 1.321 64 residues pruned to eliminate duplicates Z: 40 23.655 2.053 0.688 0.394 0.949 0.692 CB 1.288 40 residues pruned to eliminate duplicates Z: 12 8.289 1.997 0.678 0.228 0.909 0.636 CB 1.128 12 residues pruned to eliminate duplicates Z: 27 15.668 1.997 0.584 0.317 0.885 0.577 CB 1.343 27 residues pruned to eliminate duplicates Z: 35 22.397 1.847 0.792 0.508 0.882 0.647 CB 1.305 35 residues pruned to eliminate duplicates Z: 28 24.326 2.025 0.860 0.605 0.926 0.704 CB 1.214 28 residues pruned to eliminate duplicates Z: 31 26.175 2.037 0.760 0.525 0.967 0.700 CB 1.345 31 residues pruned to eliminate duplicates Z: 63 33.358 2.034 0.602 0.503 0.968 0.774 CB 1.340 63 residues pruned to eliminate duplicates Z: 64 32.881 2.023 0.652 0.506 0.937 0.683 CB 1.316 64 residues pruned to eliminate duplicates Z: 65 27.238 2.025 0.516 0.497 0.922 0.703 CB 1.207 65 residues pruned to eliminate duplicates Z: 57 24.494 1.984 0.589 0.397 0.875 0.607 CB 1.323 57 residues pruned to eliminate duplicates Z: 14 16.450 2.046 0.886 0.517 0.923 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 23 19.668 2.017 0.765 0.601 0.909 0.682 CB 1.177 23 residues pruned to eliminate duplicates Z: 23 21.130 2.040 0.669 0.629 0.955 0.864 CB 1.228 23 residues pruned to eliminate duplicates Z: 36 24.444 1.970 0.734 0.575 0.971 0.743 CB 1.159 36 residues pruned to eliminate duplicates Z: 41 25.771 1.964 0.541 0.590 0.975 0.775 CB 1.268 41 residues pruned to eliminate duplicates Z: 33 17.843 2.017 0.478 0.464 0.906 0.719 CB 1.210 33 residues pruned to eliminate duplicates Z: 49 23.860 1.994 0.680 0.420 0.896 0.646 CB 1.246 49 residues pruned to eliminate duplicates Z: 68 33.467 2.027 0.705 0.482 0.896 0.672 CB 1.345 68 residues pruned to eliminate duplicates Z: 22 23.132 2.039 0.729 0.637 0.952 0.810 CB 1.322 22 residues pruned to eliminate duplicates Z: 64 33.493 2.034 0.701 0.499 0.937 0.651 CB 1.304 64 residues pruned to eliminate duplicates Z: 21 26.548 2.071 0.796 0.664 1.000 0.800 CB 1.371 21 residues pruned to eliminate duplicates Z: 21 25.152 2.055 0.778 0.646 1.000 0.700 CB 1.342 21 residues pruned to eliminate duplicates Z: 30 20.999 2.026 0.637 0.526 0.931 0.586 CB 1.231 30 residues pruned to eliminate duplicates Z: 49 23.811 2.005 0.596 0.436 0.917 0.604 CB 1.252 49 residues pruned to eliminate duplicates Z: 24 19.998 2.031 0.749 0.590 0.826 0.652 CB 1.303 24 residues pruned to eliminate duplicates Z: 34 21.833 2.031 0.713 0.456 0.879 0.758 CB 1.300 34 residues pruned to eliminate duplicates Z: 31 23.034 2.044 0.806 0.507 0.900 0.733 CB 1.257 31 residues pruned to eliminate duplicates Z: 22 24.170 2.072 0.656 0.645 1.000 0.810 CB 1.342 22 residues pruned to eliminate duplicates Z: 29 20.316 2.001 0.691 0.562 0.893 0.643 CB 1.197 29 residues pruned to eliminate duplicates Z: 22 12.677 1.945 0.188 0.641 0.952 0.810 CB 1.102 22 residues pruned to eliminate duplicates Z: 13 12.491 2.003 0.682 0.414 0.917 0.417 CB 1.277 13 residues pruned to eliminate duplicates Z: 19 20.371 2.063 0.539 0.681 0.944 0.722 CB 1.356 19 residues pruned to eliminate duplicates Z: 17 14.222 1.963 0.742 0.529 0.750 0.500 CB 1.347 17 residues pruned to eliminate duplicates Z: 19 18.572 1.993 0.463 0.651 1.000 0.500 CB 1.305 19 residues pruned to eliminate duplicates Z: 20 26.792 2.078 0.782 0.737 1.000 0.789 CB 1.341 20 residues pruned to eliminate duplicates Z: 20 21.600 2.014 0.855 0.691 0.895 0.579 CB 1.245 20 residues pruned to eliminate duplicates Z: 23 19.167 1.971 0.574 0.674 0.955 0.727 CB 1.175 23 residues pruned to eliminate duplicates Z: 16 19.664 1.939 1.135 0.671 0.800 0.533 CB 1.308 16 residues pruned to eliminate duplicates Z: 21 22.954 2.064 0.625 0.741 0.950 0.800 CB 1.297 21 residues pruned to eliminate duplicates Z: 20 24.041 2.071 0.646 0.755 0.947 0.789 CB 1.361 20 residues pruned to eliminate duplicates Z: 21 22.524 1.996 0.889 0.710 0.900 0.750 CB 1.226 21 residues pruned to eliminate duplicates Z: 22 21.408 2.038 0.731 0.698 0.952 0.762 CB 1.161 22 residues pruned to eliminate duplicates Z: 73 38.399 2.053 0.835 0.601 0.833 0.611 CB 1.310 55 residues pruned to eliminate duplicates Z: 12 19.475 1.971 0.471 0.925 1.000 0.909 CB 1.420 15 residues pruned to eliminate duplicates Z: 14 17.217 1.935 0.618 0.776 0.846 0.769 CB 1.412 14 residues pruned to eliminate duplicates Z: 19 25.804 2.078 0.854 0.716 0.889 0.778 CB 1.461 19 residues pruned to eliminate duplicates Z: 24 21.739 1.956 0.765 0.578 0.913 0.609 CB 1.334 19 residues pruned to eliminate duplicates Z: 13 17.844 1.962 0.419 0.906 1.000 1.000 CB 1.317 17 residues pruned to eliminate duplicates Z: 14 19.352 1.909 0.892 0.860 0.923 0.846 CB 1.184 13 residues pruned to eliminate duplicates Z: 27 20.102 1.916 0.601 0.709 0.923 0.654 CB 1.152 13 residues pruned to eliminate duplicates Z: 25 24.274 1.981 0.690 0.752 0.917 0.625 CB 1.290 28 residues pruned to eliminate duplicates Z: 25 12.709 1.753 0.696 0.690 0.792 0.417 CB 0.926 25 residues pruned to eliminate duplicates Z: 42 24.960 1.914 0.803 0.619 0.878 0.732 CB 1.150 42 residues pruned to eliminate duplicates Z: 35 28.837 1.993 0.818 0.644 0.941 0.618 CB 1.268 35 residues pruned to eliminate duplicates Z: 35 22.190 1.934 0.709 0.519 0.882 0.588 CB 1.280 35 residues pruned to eliminate duplicates Z: 34 28.072 1.985 0.759 0.664 1.000 0.727 CB 1.202 32 residues pruned to eliminate duplicates Z: 10 13.575 1.927 0.723 0.804 0.889 0.333 CB 1.175 10 residues pruned to eliminate duplicates Z: 32 30.001 2.001 0.898 0.694 0.935 0.645 CB 1.270 32 residues pruned to eliminate duplicates Z: 56 29.728 1.931 0.789 0.592 0.873 0.636 CB 1.218 35 residues pruned to eliminate duplicates Z: 13 9.929 1.795 0.397 0.744 0.917 0.500 CB 1.002 13 residues pruned to eliminate duplicates Z: 36 33.006 2.013 0.866 0.676 0.971 0.657 CB 1.300 36 residues pruned to eliminate duplicates Z: 40 24.851 1.933 0.798 0.596 0.872 0.641 CB 1.198 40 residues pruned to eliminate duplicates Z: 27 13.942 1.870 0.578 0.438 0.808 0.538 CB 1.223 27 residues pruned to eliminate duplicates Z: 11 4.649 1.678 0.216 0.275 0.700 0.400 CB 1.329 11 residues pruned to eliminate duplicates Z: 12 5.366 1.683 0.696 0.233 0.636 0.364 CB 1.216 12 residues pruned to eliminate duplicates Z: 16 6.363 1.592 0.672 0.272 0.800 0.200 CB 0.999 16 residues pruned to eliminate duplicates Z: 20 6.749 1.656 0.485 0.229 0.789 0.368 CB 1.094 20 residues pruned to eliminate duplicates Z: 11 4.567 1.684 0.457 0.244 0.800 0.400 CB 0.990 11 residues pruned to eliminate duplicates Z: 19 11.608 1.849 0.633 0.441 0.722 0.667 CB 1.333 18 residues pruned to eliminate duplicates Z: 9 4.677 1.331 0.967 0.211 0.875 0.500 N 1.015 9 residues pruned to eliminate duplicates Z: 53 33.340 1.947 0.866 0.561 0.942 0.596 CB 1.274 53 residues pruned to eliminate duplicates Z: 31 15.105 1.864 0.615 0.421 0.800 0.600 CB 1.243 31 residues pruned to eliminate duplicates Z: 6 3.736 1.596 0.342 0.455 1.000 0.800 CB 0.817 6 residues pruned to eliminate duplicates Z: 18 18.797 1.941 0.911 0.595 0.882 0.765 CB 1.271 18 residues pruned to eliminate duplicates Z: 8 15.117 1.980 0.605 0.581 1.000 0.714 CB 1.663 9 residues pruned to eliminate duplicates Z: 7 11.787 1.806 0.479 0.818 1.000 0.667 CB 1.367 7 residues pruned to eliminate duplicates Z: 58 29.121 1.935 0.700 0.492 0.842 0.491 CB 1.403 58 residues pruned to eliminate duplicates Z: 42 18.911 1.908 0.495 0.351 0.878 0.390 CB 1.386 15 residues pruned to eliminate duplicates Z: 7 9.357 1.798 0.611 0.477 0.833 0.500 N 1.619 7 residues pruned to eliminate duplicates Z: 26 15.725 1.855 0.676 0.443 0.840 0.480 CB 1.277 26 residues pruned to eliminate duplicates Z: 56 25.969 1.914 0.768 0.550 0.818 0.582 CB 1.205 56 residues pruned to eliminate duplicates Z: 25 15.208 1.947 0.679 0.369 0.833 0.500 CB 1.311 25 residues pruned to eliminate duplicates Z: 8 2.948 1.742 0.581 0.336 0.714 0.571 CB 0.678 8 residues pruned to eliminate duplicates Z: 27 13.623 1.922 0.548 0.373 0.885 0.462 CB 1.163 27 residues pruned to eliminate duplicates Z: 24 14.877 1.926 0.700 0.451 0.826 0.478 CB 1.206 24 residues pruned to eliminate duplicates Z: 45 23.713 1.926 0.731 0.412 0.886 0.591 CB 1.326 45 residues pruned to eliminate duplicates Z: 11 9.897 1.948 0.673 0.421 1.000 0.500 CB 1.043 11 residues pruned to eliminate duplicates Z: 24 15.689 1.993 0.626 0.484 0.957 0.696 CB 1.072 24 residues pruned to eliminate duplicates Z: 24 22.912 2.038 0.803 0.510 0.913 0.696 CB 1.411 24 residues pruned to eliminate duplicates Z: 46 20.953 1.869 0.639 0.391 0.867 0.600 CB 1.320 46 residues pruned to eliminate duplicates Z: 25 18.909 1.997 0.632 0.475 0.917 0.625 CB 1.325 25 residues pruned to eliminate duplicates Z: 39 26.394 2.025 0.803 0.520 0.868 0.684 CB 1.323 25 residues pruned to eliminate duplicates Z: 7 3.875 1.364 0.626 0.408 0.833 0.667 CB 0.943 7 residues pruned to eliminate duplicates Z: 23 15.315 2.030 0.673 0.446 0.773 0.545 CB 1.314 23 residues pruned to eliminate duplicates Z: 39 28.066 2.097 0.577 0.585 0.947 0.763 CB 1.339 39 residues pruned to eliminate duplicates Z: 24 22.862 2.015 0.865 0.496 0.913 0.652 CB 1.394 24 residues pruned to eliminate duplicates Z: 27 19.670 1.902 0.871 0.473 0.923 0.615 CB 1.207 27 residues pruned to eliminate duplicates Z: 21 16.943 1.984 0.849 0.498 0.900 0.550 CB 1.150 21 residues pruned to eliminate duplicates Z: 57 26.345 1.958 0.760 0.477 0.839 0.536 CB 1.246 57 residues pruned to eliminate duplicates Z: 43 21.701 1.960 0.676 0.423 0.857 0.524 CB 1.288 43 residues pruned to eliminate duplicates Z: 25 19.403 1.964 0.798 0.459 0.917 0.708 CB 1.276 25 residues pruned to eliminate duplicates Z: 48 27.264 2.025 0.665 0.517 0.851 0.660 CB 1.362 48 residues pruned to eliminate duplicates Z: 41 32.767 2.087 0.815 0.617 0.925 0.675 CB 1.323 41 residues pruned to eliminate duplicates Z: 42 33.015 2.087 0.815 0.573 0.927 0.610 CB 1.369 42 residues pruned to eliminate duplicates Z: 41 26.041 2.034 0.661 0.566 0.900 0.650 CB 1.271 41 residues pruned to eliminate duplicates Z: 39 31.740 2.066 0.786 0.602 0.921 0.711 CB 1.375 39 residues pruned to eliminate duplicates Z: 41 27.709 2.057 0.637 0.554 0.900 0.650 CB 1.371 41 residues pruned to eliminate duplicates Z: 42 29.404 2.066 0.681 0.597 0.902 0.683 CB 1.336 42 residues pruned to eliminate duplicates Z: 39 31.969 2.109 0.822 0.617 0.895 0.658 CB 1.350 39 residues pruned to eliminate duplicates Z: 52 30.701 2.059 0.617 0.514 0.882 0.627 CB 1.443 52 residues pruned to eliminate duplicates Z: 51 35.649 2.099 0.759 0.560 0.900 0.640 CB 1.431 51 residues pruned to eliminate duplicates Z: 39 28.632 2.053 0.695 0.598 0.895 0.684 CB 1.359 39 residues pruned to eliminate duplicates Z: 41 34.934 2.095 0.728 0.605 0.950 0.750 CB 1.453 41 residues pruned to eliminate duplicates Z: 52 35.920 2.070 0.774 0.544 0.922 0.510 CB 1.424 52 residues pruned to eliminate duplicates Z: 41 30.781 2.059 0.733 0.587 0.925 0.750 CB 1.357 41 residues pruned to eliminate duplicates Z: 41 34.267 2.060 0.834 0.604 0.950 0.750 CB 1.368 41 residues pruned to eliminate duplicates Z: 41 34.663 2.102 0.842 0.636 0.900 0.700 CB 1.385 41 residues pruned to eliminate duplicates Z: 52 37.656 2.088 0.799 0.563 0.941 0.627 CB 1.403 52 residues pruned to eliminate duplicates Z: 50 34.111 2.085 0.754 0.587 0.878 0.612 CB 1.397 50 residues pruned to eliminate duplicates Z: 52 34.404 2.083 0.713 0.518 0.941 0.667 CB 1.408 52 residues pruned to eliminate duplicates Z: 73 40.029 2.056 0.744 0.574 0.917 0.611 CB 1.337 73 residues pruned to eliminate duplicates Z: 50 32.759 2.074 0.754 0.566 0.898 0.510 CB 1.344 50 residues pruned to eliminate duplicates Z: 57 35.568 2.040 0.749 0.550 0.911 0.607 CB 1.393 57 residues pruned to eliminate duplicates Z: 48 36.919 2.096 0.942 0.585 0.894 0.660 CB 1.365 48 residues pruned to eliminate duplicates Z: 54 33.100 2.027 0.701 0.579 0.868 0.547 CB 1.408 54 residues pruned to eliminate duplicates Z: 31 29.690 2.119 0.664 0.615 0.900 0.467 CB 1.532 31 residues pruned to eliminate duplicates Z: 54 36.861 2.056 0.712 0.589 0.925 0.585 CB 1.429 54 residues pruned to eliminate duplicates Z: 50 32.421 2.059 0.671 0.604 0.878 0.633 CB 1.390 50 residues pruned to eliminate duplicates Z: 53 39.394 2.072 0.816 0.586 0.923 0.596 CB 1.448 53 residues pruned to eliminate duplicates Z: 53 30.045 2.057 0.746 0.541 0.827 0.596 CB 1.347 53 residues pruned to eliminate duplicates Z: 53 35.361 2.061 0.813 0.576 0.865 0.596 CB 1.409 53 residues pruned to eliminate duplicates 452 residues left after pruning, divided into chains as follows: A: 183 B: 51 C: 218 CC for partial structure against native data = 41.76 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.682, Connect. = 0.752 for dens.mod. cycle 1 = 0.300, Contrast = 0.794, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.935, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.959, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.976, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.978, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.980, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.977, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.975, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.971, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2427 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 527 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 26.003 1.794 0.829 0.895 1.000 0.833 N 1.640 B: 23 33.094 1.965 0.927 0.860 0.955 0.864 CB 1.435 C: 11 21.788 2.203 0.741 0.757 0.900 0.800 CB 1.588 D: 16 26.078 1.862 0.943 0.907 1.000 0.800 CB 1.322 E: 12 21.212 2.018 0.518 0.816 1.000 0.909 CB 1.586 11 residues pruned to eliminate duplicates F: 11 22.754 2.039 0.742 0.820 1.000 0.700 CA 1.535 12 residues pruned to eliminate duplicates G: 12 20.451 2.085 0.953 0.834 0.909 0.636 CB 1.249 H: 12 20.782 1.808 0.855 0.902 0.909 0.727 CB 1.465 12 residues pruned to eliminate duplicates I: 13 18.652 1.923 0.408 0.823 1.000 0.833 CA 1.502 J: 12 24.249 1.903 0.787 0.885 1.000 0.909 CB 1.552 12 residues pruned to eliminate duplicates K: 37 34.524 2.037 0.936 0.546 0.861 0.611 CB 1.619 12 residues pruned to eliminate duplicates L: 12 21.897 2.057 0.850 0.824 0.909 0.545 CB 1.442 12 residues pruned to eliminate duplicates M: 33 31.665 2.098 0.724 0.546 0.906 0.594 CB 1.632 33 residues pruned to eliminate duplicates N: 12 28.986 1.918 0.976 0.888 1.000 0.727 CB 1.661 12 residues pruned to eliminate duplicates O: 57 29.074 1.931 0.789 0.591 0.857 0.571 CB 1.203 P: 15 22.930 1.864 0.584 0.878 1.000 0.929 CB 1.506 15 residues pruned to eliminate duplicates Q: 6 14.360 1.878 0.788 0.852 1.000 0.800 CB 1.415 R: 13 22.098 1.958 0.753 0.882 0.833 0.500 CA 1.614 11 residues pruned to eliminate duplicates S: 20 29.027 1.952 0.701 0.908 0.947 0.842 CB 1.503 T: 15 19.751 1.876 0.713 0.814 0.857 0.571 CB 1.459 13 residues pruned to eliminate duplicates U: 20 26.610 1.945 0.678 0.876 1.000 0.895 CB 1.359 20 residues pruned to eliminate duplicates V: 6 2.330 1.437 0.675 0.439 0.600 0.400 CB 0.769 W: 14 21.571 1.923 0.732 0.859 0.923 0.846 CB 1.432 X: 20 24.592 1.898 0.569 0.866 0.947 0.789 CB 1.464 20 residues pruned to eliminate duplicates Y: 10 19.627 2.068 0.846 0.755 0.889 0.778 CA 1.536 10 residues pruned to eliminate duplicates Z: 34 39.408 2.102 0.952 0.617 0.909 0.667 CB 1.646 36 residues pruned to eliminate duplicates Z: 10 15.136 2.061 0.572 0.701 1.000 0.667 CB 1.296 Z: 30 16.765 1.835 0.854 0.428 0.793 0.448 CB 1.244 Z: 13 16.844 1.879 0.379 0.904 1.000 0.917 CB 1.336 Z: 7 10.834 1.825 0.549 0.731 1.000 0.500 CB 1.271 Z: 19 25.208 1.987 0.674 0.932 1.000 0.944 CB 1.247 19 residues pruned to eliminate duplicates Z: 13 20.259 1.887 0.907 0.783 0.917 0.833 N 1.383 13 residues pruned to eliminate duplicates Z: 35 15.416 1.925 0.464 0.360 0.853 0.500 CB 1.278 22 residues pruned to eliminate duplicates Z: 15 19.533 1.907 0.547 0.853 0.929 0.857 CB 1.408 15 residues pruned to eliminate duplicates Z: 10 6.764 1.974 0.728 0.287 0.889 0.778 CB 0.944 Z: 21 22.165 1.992 0.639 0.830 0.950 0.850 CB 1.201 14 residues pruned to eliminate duplicates Z: 19 17.152 1.999 0.495 0.612 0.944 0.778 CB 1.288 14 residues pruned to eliminate duplicates Z: 53 34.299 2.024 0.706 0.606 0.904 0.654 CB 1.378 44 residues pruned to eliminate duplicates Z: 27 15.168 2.061 0.582 0.356 0.885 0.577 CB 1.205 20 residues pruned to eliminate duplicates Z: 7 12.441 1.814 0.925 0.772 1.000 0.667 CB 1.143 7 residues pruned to eliminate duplicates Z: 23 28.135 2.007 0.830 0.779 0.909 0.682 CB 1.404 23 residues pruned to eliminate duplicates Z: 20 28.140 1.927 0.662 0.924 1.000 0.947 CB 1.416 20 residues pruned to eliminate duplicates Z: 15 15.537 1.789 0.581 0.906 1.000 0.929 CB 1.044 Z: 51 32.436 2.038 0.775 0.555 0.940 0.520 CB 1.278 37 residues pruned to eliminate duplicates Z: 21 19.868 2.055 0.606 0.625 0.850 0.650 CB 1.407 13 residues pruned to eliminate duplicates Z: 22 16.683 1.990 0.750 0.469 0.810 0.714 CB 1.333 22 residues pruned to eliminate duplicates Z: 12 26.371 2.226 0.770 0.880 0.909 0.818 CB 1.608 12 residues pruned to eliminate duplicates Z: 19 38.344 2.058 0.919 0.933 1.000 0.833 CB 1.597 19 residues pruned to eliminate duplicates Z: 15 26.654 2.052 0.541 0.924 1.000 0.929 CB 1.582 15 residues pruned to eliminate duplicates Z: 23 30.297 2.003 0.811 0.767 0.909 0.636 CB 1.546 23 residues pruned to eliminate duplicates Z: 13 28.846 2.069 0.896 0.936 0.917 0.750 CB 1.613 13 residues pruned to eliminate duplicates Z: 19 27.751 2.011 0.598 0.901 0.944 0.833 CB 1.537 19 residues pruned to eliminate duplicates Z: 20 23.503 1.956 0.459 0.873 1.000 0.842 CB 1.376 20 residues pruned to eliminate duplicates Z: 11 17.429 1.855 0.589 0.772 0.900 0.800 CB 1.634 11 residues pruned to eliminate duplicates Z: 17 29.478 2.088 0.585 0.955 1.000 1.000 CB 1.531 17 residues pruned to eliminate duplicates Z: 19 27.614 2.005 0.725 0.921 0.944 0.722 CB 1.402 19 residues pruned to eliminate duplicates Z: 88 48.952 2.077 0.790 0.553 0.931 0.655 CB 1.440 86 residues pruned to eliminate duplicates Z: 14 25.353 1.767 1.268 0.912 1.000 0.692 CA 1.243 14 residues pruned to eliminate duplicates Z: 22 26.162 2.022 0.662 0.788 0.905 0.762 CB 1.458 23 residues pruned to eliminate duplicates Z: 77 52.793 2.166 0.760 0.599 0.921 0.684 CB 1.569 63 residues pruned to eliminate duplicates Z: 36 29.642 2.077 0.724 0.521 0.857 0.571 CB 1.599 36 residues pruned to eliminate duplicates Z: 21 21.886 2.076 0.693 0.658 0.900 0.700 CB 1.336 21 residues pruned to eliminate duplicates Z: 12 25.853 2.039 1.107 0.916 1.000 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 24.585 2.036 0.740 0.895 0.917 0.917 CB 1.567 13 residues pruned to eliminate duplicates Z: 8 11.390 1.714 0.712 0.754 0.857 0.857 N 1.365 8 residues pruned to eliminate duplicates Z: 14 16.148 1.975 0.298 0.710 1.000 0.615 CB 1.444 14 residues pruned to eliminate duplicates Z: 19 34.702 2.058 0.929 0.916 1.000 0.944 CB 1.454 19 residues pruned to eliminate duplicates Z: 37 19.267 1.961 0.547 0.416 0.861 0.528 CB 1.343 17 residues pruned to eliminate duplicates Z: 14 26.922 1.994 0.896 0.881 1.000 0.923 CB 1.430 14 residues pruned to eliminate duplicates Z: 16 26.218 2.041 0.726 0.877 0.933 0.800 CB 1.495 16 residues pruned to eliminate duplicates Z: 13 20.805 1.929 0.588 0.906 1.000 0.917 CB 1.395 13 residues pruned to eliminate duplicates Z: 26 11.778 1.934 0.310 0.343 0.880 0.480 CB 1.254 10 residues pruned to eliminate duplicates Z: 22 14.764 1.950 0.806 0.328 0.762 0.476 CB 1.451 22 residues pruned to eliminate duplicates Z: 12 29.648 2.081 1.167 0.841 1.000 0.545 CB 1.478 12 residues pruned to eliminate duplicates Z: 7 3.227 1.822 0.035 0.555 0.833 0.500 CB 0.795 Z: 20 18.524 1.950 0.800 0.584 0.947 0.632 CB 1.179 20 residues pruned to eliminate duplicates Z: 9 12.251 1.691 0.718 0.691 0.875 0.625 N 1.431 9 residues pruned to eliminate duplicates Z: 13 27.845 2.098 0.808 0.896 1.000 0.750 CB 1.517 13 residues pruned to eliminate duplicates Z: 7 4.656 1.839 0.091 0.798 0.667 0.500 N 1.095 7 residues pruned to eliminate duplicates Z: 19 26.159 2.011 0.576 0.937 1.000 0.722 CB 1.354 19 residues pruned to eliminate duplicates Z: 14 7.259 1.870 0.331 0.380 0.692 0.462 CB 1.327 12 residues pruned to eliminate duplicates Z: 25 20.606 2.016 0.728 0.554 0.833 0.708 CB 1.374 25 residues pruned to eliminate duplicates Z: 15 16.239 1.758 0.813 0.753 0.786 0.500 CA 1.383 14 residues pruned to eliminate duplicates Z: 9 10.894 1.856 0.584 0.584 0.875 0.750 CB 1.382 9 residues pruned to eliminate duplicates Z: 14 16.724 1.867 0.691 0.928 1.000 0.923 CB 1.029 14 residues pruned to eliminate duplicates Z: 12 24.721 2.095 0.755 0.840 1.000 0.636 CB 1.513 12 residues pruned to eliminate duplicates Z: 18 36.728 2.017 0.944 0.947 1.000 0.882 CB 1.570 18 residues pruned to eliminate duplicates Z: 13 19.111 1.848 0.457 0.866 1.000 0.833 CB 1.501 14 residues pruned to eliminate duplicates Z: 11 13.214 1.980 0.834 0.528 0.800 0.600 CB 1.398 Z: 20 21.404 1.934 0.626 0.868 0.947 0.842 CB 1.205 20 residues pruned to eliminate duplicates Z: 19 20.679 1.946 0.319 0.888 1.000 0.889 CB 1.368 19 residues pruned to eliminate duplicates Z: 12 19.772 1.876 0.593 0.885 1.000 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 6 5.527 1.448 1.009 0.514 1.000 0.600 CA 0.838 6 residues pruned to eliminate duplicates Z: 14 15.260 1.858 0.518 0.718 0.923 0.692 CB 1.335 17 residues pruned to eliminate duplicates Z: 97 43.877 2.083 0.710 0.467 0.917 0.583 CB 1.419 97 residues pruned to eliminate duplicates Z: 15 21.977 1.953 0.673 0.849 0.929 0.786 CB 1.436 15 residues pruned to eliminate duplicates Z: 13 28.479 2.024 0.737 0.917 1.000 0.917 CB 1.651 13 residues pruned to eliminate duplicates Z: 30 21.870 2.072 0.731 0.570 0.897 0.621 CB 1.180 65 residues pruned to eliminate duplicates Z: 14 30.140 2.136 0.761 0.886 1.000 1.000 CB 1.604 14 residues pruned to eliminate duplicates Z: 13 26.005 1.974 1.007 0.860 1.000 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 15 16.360 1.789 0.672 0.919 1.000 0.857 CB 1.030 14 residues pruned to eliminate duplicates Z: 12 27.955 2.119 0.980 0.875 1.000 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 16 15.670 1.898 0.645 0.710 0.800 0.467 CB 1.339 16 residues pruned to eliminate duplicates Z: 102 55.249 2.122 0.841 0.530 0.921 0.673 CB 1.485 78 residues pruned to eliminate duplicates Z: 6 4.952 1.292 0.734 0.810 0.800 0.800 O 0.943 Z: 20 16.543 1.901 0.719 0.477 0.842 0.684 CB 1.412 14 residues pruned to eliminate duplicates Z: 14 17.791 1.980 0.726 0.539 0.923 0.615 CB 1.504 14 residues pruned to eliminate duplicates Z: 17 24.543 1.961 0.687 0.897 1.000 0.938 CB 1.328 17 residues pruned to eliminate duplicates Z: 9 12.493 1.753 0.415 0.846 1.000 0.875 CA 1.323 9 residues pruned to eliminate duplicates Z: 7 8.702 1.662 0.731 0.723 0.833 0.833 CA 1.212 7 residues pruned to eliminate duplicates Z: 7 15.687 1.910 0.603 0.868 1.000 1.000 N 1.528 7 residues pruned to eliminate duplicates Z: 13 25.169 1.942 0.797 0.902 1.000 0.917 CB 1.484 14 residues pruned to eliminate duplicates Z: 9 4.404 1.808 0.322 0.324 0.750 0.250 CB 1.053 Z: 8 14.722 1.805 0.719 0.799 1.000 0.714 CB 1.381 8 residues pruned to eliminate duplicates Z: 23 22.702 1.936 0.633 0.779 0.955 0.636 CB 1.253 23 residues pruned to eliminate duplicates Z: 6 5.990 1.950 0.309 0.836 0.800 0.600 CB 0.982 6 residues pruned to eliminate duplicates Z: 19 31.819 2.034 1.088 0.894 0.944 0.722 CB 1.341 19 residues pruned to eliminate duplicates Z: 16 13.843 1.927 0.554 0.492 0.800 0.467 CB 1.505 16 residues pruned to eliminate duplicates Z: 37 29.646 1.998 0.835 0.504 0.861 0.500 CB 1.559 37 residues pruned to eliminate duplicates Z: 49 24.453 2.002 0.562 0.536 0.833 0.625 CB 1.307 49 residues pruned to eliminate duplicates Z: 8 14.834 1.880 0.757 0.722 1.000 0.429 N 1.389 8 residues pruned to eliminate duplicates Z: 51 48.009 2.164 0.851 0.630 0.920 0.640 CB 1.630 51 residues pruned to eliminate duplicates Z: 13 16.074 1.937 0.834 0.823 0.750 0.500 CB 1.317 13 residues pruned to eliminate duplicates Z: 18 30.773 2.051 1.063 0.900 0.941 0.588 CB 1.339 18 residues pruned to eliminate duplicates Z: 24 17.913 2.012 0.764 0.542 0.826 0.696 CB 1.222 24 residues pruned to eliminate duplicates Z: 14 28.682 2.003 0.903 0.861 0.923 0.615 CB 1.661 14 residues pruned to eliminate duplicates Z: 14 26.005 1.867 1.085 0.917 1.000 0.692 CB 1.308 13 residues pruned to eliminate duplicates Z: 20 20.682 2.091 0.539 0.668 1.000 0.842 CB 1.263 20 residues pruned to eliminate duplicates Z: 17 18.655 1.784 0.618 0.712 0.938 0.688 CB 1.422 17 residues pruned to eliminate duplicates Z: 10 21.067 1.999 0.919 0.868 0.889 0.778 CB 1.506 10 residues pruned to eliminate duplicates Z: 25 13.446 1.892 0.376 0.477 0.875 0.542 CB 1.234 19 residues pruned to eliminate duplicates Z: 134 50.453 2.068 0.726 0.495 0.880 0.579 CB 1.400 155 residues pruned to eliminate duplicates Z: 131 52.595 2.108 0.722 0.526 0.877 0.638 CB 1.412 131 residues pruned to eliminate duplicates Z: 114 48.349 2.082 0.742 0.509 0.894 0.628 CB 1.390 115 residues pruned to eliminate duplicates Z: 21 19.455 2.035 0.487 0.796 0.850 0.650 CB 1.305 21 residues pruned to eliminate duplicates Z: 14 17.775 1.813 0.553 0.803 0.923 0.769 CA 1.456 13 residues pruned to eliminate duplicates Z: 14 23.098 1.950 0.638 0.898 0.923 0.615 CB 1.554 14 residues pruned to eliminate duplicates Z: 19 29.802 2.141 0.873 0.740 0.889 0.500 CB 1.589 13 residues pruned to eliminate duplicates Z: 12 17.764 1.978 0.605 0.833 1.000 0.818 CB 1.265 12 residues pruned to eliminate duplicates Z: 6 5.245 1.837 0.799 0.376 0.800 0.400 CB 1.013 Z: 21 14.426 1.990 0.685 0.396 0.900 0.500 CB 1.194 21 residues pruned to eliminate duplicates Z: 21 23.457 2.007 0.496 0.826 1.000 0.750 CB 1.317 21 residues pruned to eliminate duplicates Z: 97 36.838 1.947 0.739 0.504 0.885 0.573 CB 1.249 87 residues pruned to eliminate duplicates Z: 21 22.769 1.995 0.622 0.823 0.950 0.900 CB 1.251 21 residues pruned to eliminate duplicates Z: 16 19.541 1.895 0.610 0.885 0.933 0.933 CB 1.279 16 residues pruned to eliminate duplicates Z: 9 3.798 1.644 0.524 0.251 0.625 0.250 N 1.142 9 residues pruned to eliminate duplicates Z: 68 37.237 2.019 0.774 0.538 0.925 0.672 CB 1.322 63 residues pruned to eliminate duplicates Z: 54 41.590 2.100 0.851 0.621 0.962 0.623 CB 1.362 19 residues pruned to eliminate duplicates Z: 11 27.397 2.148 1.114 0.792 0.900 0.500 N 1.642 11 residues pruned to eliminate duplicates Z: 17 26.123 2.031 0.689 0.911 1.000 0.938 CB 1.349 17 residues pruned to eliminate duplicates Z: 18 15.311 1.839 0.605 0.562 0.882 0.412 CB 1.343 18 residues pruned to eliminate duplicates Z: 14 27.388 1.962 0.928 0.856 1.000 0.769 CB 1.481 14 residues pruned to eliminate duplicates Z: 15 24.560 2.118 0.641 0.813 0.929 0.857 CB 1.549 15 residues pruned to eliminate duplicates Z: 20 29.081 2.015 0.890 0.884 0.947 0.789 CB 1.336 20 residues pruned to eliminate duplicates Z: 10 11.678 1.743 0.765 0.780 0.778 0.556 CB 1.271 Z: 16 9.897 1.886 0.526 0.288 0.867 0.467 CB 1.299 16 residues pruned to eliminate duplicates Z: 12 23.308 2.036 0.931 0.917 0.909 0.818 CB 1.388 12 residues pruned to eliminate duplicates Z: 11 10.697 1.931 0.506 0.790 0.800 0.600 CB 1.127 Z: 14 20.323 1.933 0.648 0.841 0.923 0.692 CB 1.429 14 residues pruned to eliminate duplicates Z: 22 24.972 2.027 0.565 0.812 0.952 0.762 CB 1.375 22 residues pruned to eliminate duplicates Z: 11 5.345 1.764 0.159 0.439 0.900 0.800 CB 0.978 Z: 13 20.888 1.962 0.789 0.800 0.917 0.583 CB 1.441 13 residues pruned to eliminate duplicates Z: 11 10.704 1.806 0.430 0.735 0.900 0.800 CB 1.180 11 residues pruned to eliminate duplicates Z: 11 9.036 1.831 0.823 0.463 0.800 0.600 CB 1.111 20 residues pruned to eliminate duplicates Z: 24 21.601 1.880 0.643 0.769 0.913 0.696 CB 1.258 24 residues pruned to eliminate duplicates Z: 34 21.041 1.982 0.631 0.525 0.909 0.697 CB 1.215 33 residues pruned to eliminate duplicates Z: 20 31.466 2.002 0.952 0.888 0.947 0.842 CB 1.405 20 residues pruned to eliminate duplicates Z: 21 16.595 2.112 0.697 0.427 0.800 0.600 CB 1.397 23 residues pruned to eliminate duplicates Z: 52 47.623 2.122 0.936 0.679 0.961 0.686 CB 1.434 53 residues pruned to eliminate duplicates Z: 12 14.348 1.652 0.500 0.861 0.909 0.636 CB 1.412 Z: 22 18.853 2.004 0.552 0.705 0.952 0.810 CB 1.152 22 residues pruned to eliminate duplicates Z: 11 12.326 1.891 0.678 0.568 1.000 0.700 CB 1.150 11 residues pruned to eliminate duplicates Z: 42 29.994 2.049 0.779 0.586 0.878 0.659 CB 1.347 42 residues pruned to eliminate duplicates Z: 12 15.690 1.630 0.619 0.864 0.909 0.727 O 1.446 12 residues pruned to eliminate duplicates Z: 19 22.841 2.087 0.632 0.760 0.889 0.722 CB 1.411 19 residues pruned to eliminate duplicates Z: 13 10.066 1.990 0.519 0.515 0.917 0.667 CB 1.033 12 residues pruned to eliminate duplicates Z: 57 41.114 2.099 0.891 0.613 0.893 0.714 CB 1.393 58 residues pruned to eliminate duplicates Z: 56 39.072 2.056 0.948 0.586 0.855 0.600 CB 1.418 56 residues pruned to eliminate duplicates Z: 9 8.519 1.918 0.611 0.704 0.625 0.500 CB 1.295 9 residues pruned to eliminate duplicates Z: 6 8.655 1.851 0.338 0.769 1.000 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 19 33.599 2.043 0.963 0.919 0.944 0.889 CB 1.473 19 residues pruned to eliminate duplicates Z: 10 10.890 1.593 0.444 0.794 1.000 0.778 CB 1.220 10 residues pruned to eliminate duplicates Z: 10 6.020 1.695 0.372 0.499 0.667 0.556 CB 1.296 Z: 15 13.884 1.728 0.650 0.694 0.857 0.571 CB 1.271 15 residues pruned to eliminate duplicates Z: 68 38.950 2.069 0.724 0.525 0.896 0.627 CB 1.453 68 residues pruned to eliminate duplicates Z: 19 25.967 1.991 0.724 0.907 1.000 0.667 CB 1.267 19 residues pruned to eliminate duplicates Z: 6 7.761 2.035 0.436 0.873 1.000 1.000 CB 0.865 6 residues pruned to eliminate duplicates Z: 39 21.367 1.982 0.649 0.551 0.842 0.605 CB 1.198 39 residues pruned to eliminate duplicates Z: 60 31.177 2.012 0.728 0.530 0.881 0.627 CB 1.286 60 residues pruned to eliminate duplicates Z: 9 12.195 1.884 0.702 0.694 0.750 0.375 CB 1.501 15 residues pruned to eliminate duplicates Z: 6 5.496 1.769 0.194 0.518 0.800 0.600 CB 1.429 Z: 21 24.211 2.116 0.623 0.566 0.900 0.700 CB 1.642 21 residues pruned to eliminate duplicates Z: 11 14.289 1.965 0.344 0.871 1.000 0.900 CB 1.248 11 residues pruned to eliminate duplicates Z: 17 30.648 1.903 1.228 0.901 1.000 0.500 CB 1.290 17 residues pruned to eliminate duplicates Z: 14 20.747 1.853 0.796 0.814 1.000 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 19 34.275 2.060 0.961 0.922 1.000 0.944 CB 1.406 19 residues pruned to eliminate duplicates Z: 50 34.267 2.081 0.675 0.584 0.898 0.571 CB 1.443 46 residues pruned to eliminate duplicates Z: 55 30.388 1.984 0.811 0.553 0.889 0.648 CB 1.230 55 residues pruned to eliminate duplicates Z: 11 15.492 1.765 0.423 0.858 0.900 0.900 CB 1.596 11 residues pruned to eliminate duplicates Z: 58 38.559 2.086 0.870 0.503 0.860 0.526 CB 1.518 58 residues pruned to eliminate duplicates Z: 38 28.215 1.980 0.832 0.608 0.919 0.622 CB 1.256 40 residues pruned to eliminate duplicates Z: 7 15.753 1.941 0.482 0.898 1.000 1.000 N 1.599 7 residues pruned to eliminate duplicates Z: 11 9.155 1.883 0.446 0.526 0.900 0.400 CB 1.151 9 residues pruned to eliminate duplicates Z: 23 20.860 1.959 0.575 0.750 0.909 0.591 CB 1.269 23 residues pruned to eliminate duplicates Z: 11 5.964 1.904 0.235 0.377 0.800 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 7 5.374 1.849 0.396 0.237 1.000 0.333 N 1.154 Z: 20 18.078 1.982 0.600 0.715 0.842 0.789 CB 1.278 20 residues pruned to eliminate duplicates Z: 24 25.434 1.908 0.761 0.794 0.913 0.609 CB 1.336 24 residues pruned to eliminate duplicates Z: 9 6.268 1.892 0.137 0.538 0.875 0.375 CB 1.134 9 residues pruned to eliminate duplicates Z: 19 25.844 2.136 0.702 0.694 0.833 0.667 CB 1.684 19 residues pruned to eliminate duplicates Z: 15 26.107 1.926 0.847 0.926 1.000 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 52 40.372 2.082 0.776 0.640 0.941 0.647 CB 1.425 52 residues pruned to eliminate duplicates Z: 14 24.306 1.907 0.821 0.900 1.000 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 17 15.436 1.858 0.545 0.707 0.875 0.625 CB 1.273 17 residues pruned to eliminate duplicates Z: 12 24.626 2.004 0.913 0.863 0.909 0.818 CB 1.562 12 residues pruned to eliminate duplicates Z: 13 18.913 2.048 0.446 0.901 1.000 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 13 13.480 1.829 0.457 0.807 1.000 0.750 CB 1.117 13 residues pruned to eliminate duplicates Z: 17 19.214 1.892 0.502 0.901 0.938 0.875 CB 1.287 17 residues pruned to eliminate duplicates Z: 30 18.562 2.028 0.701 0.437 0.793 0.586 CB 1.345 30 residues pruned to eliminate duplicates Z: 7 5.474 1.676 0.552 0.430 0.833 0.500 N 1.109 Z: 16 16.119 1.961 0.924 0.552 0.800 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 14 10.166 1.789 0.387 0.531 1.000 0.538 CB 1.102 14 residues pruned to eliminate duplicates Z: 13 28.339 2.096 0.827 0.923 0.917 0.500 CB 1.637 13 residues pruned to eliminate duplicates Z: 7 6.148 1.863 0.629 0.820 1.000 0.667 CB 0.626 Z: 23 27.246 2.162 0.715 0.626 0.864 0.727 CB 1.612 23 residues pruned to eliminate duplicates Z: 16 19.876 1.903 0.755 0.693 0.933 0.600 CB 1.381 16 residues pruned to eliminate duplicates Z: 12 26.530 2.163 0.777 0.918 0.909 0.727 CB 1.614 12 residues pruned to eliminate duplicates Z: 12 6.735 1.532 0.836 0.420 0.818 0.545 CB 0.959 Z: 21 25.145 1.992 0.697 0.835 0.950 0.600 CB 1.312 21 residues pruned to eliminate duplicates Z: 18 31.156 2.052 0.721 0.876 1.000 0.765 CB 1.555 18 residues pruned to eliminate duplicates Z: 62 31.538 2.042 0.593 0.542 0.852 0.557 CB 1.398 62 residues pruned to eliminate duplicates Z: 11 14.724 1.874 0.540 0.854 1.000 0.700 CB 1.192 11 residues pruned to eliminate duplicates Z: 15 7.152 1.659 0.654 0.270 0.786 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 9 13.836 1.858 0.535 0.803 1.000 0.750 CB 1.316 9 residues pruned to eliminate duplicates Z: 20 18.164 1.991 0.635 0.656 0.895 0.632 CB 1.238 20 residues pruned to eliminate duplicates Z: 23 22.201 1.970 0.616 0.768 0.864 0.682 CB 1.358 23 residues pruned to eliminate duplicates Z: 13 19.088 1.745 0.814 0.824 0.917 0.583 CB 1.434 13 residues pruned to eliminate duplicates Z: 16 24.693 2.173 0.712 0.662 0.933 0.667 CB 1.581 16 residues pruned to eliminate duplicates Z: 27 21.692 2.030 0.724 0.591 0.885 0.654 CB 1.260 27 residues pruned to eliminate duplicates Z: 15 14.220 1.848 0.352 0.924 1.000 0.857 CB 1.068 15 residues pruned to eliminate duplicates Z: 29 27.344 1.992 0.875 0.680 0.857 0.607 CB 1.367 29 residues pruned to eliminate duplicates Z: 16 23.268 1.992 1.113 0.792 0.867 0.800 CB 1.275 16 residues pruned to eliminate duplicates Z: 27 17.894 2.026 0.715 0.367 0.885 0.538 CB 1.317 27 residues pruned to eliminate duplicates Z: 8 2.370 1.947 -0.265 0.112 0.714 0.286 CB 1.433 8 residues pruned to eliminate duplicates Z: 13 12.132 1.816 0.737 0.404 0.833 0.250 O 1.473 13 residues pruned to eliminate duplicates Z: 9 5.718 1.884 0.743 0.609 0.875 0.375 CB 0.634 Z: 22 25.316 1.974 0.938 0.786 0.952 0.524 CB 1.179 22 residues pruned to eliminate duplicates Z: 72 29.627 1.992 0.590 0.449 0.915 0.662 CB 1.278 72 residues pruned to eliminate duplicates Z: 8 5.573 1.452 0.649 0.599 1.000 0.714 CB 0.801 Z: 23 24.687 1.956 0.842 0.744 0.909 0.818 CB 1.291 23 residues pruned to eliminate duplicates Z: 37 25.498 2.005 0.656 0.603 0.861 0.750 CB 1.347 37 residues pruned to eliminate duplicates Z: 10 19.197 1.837 0.675 0.904 1.000 0.889 CB 1.480 12 residues pruned to eliminate duplicates Z: 46 31.142 2.048 0.734 0.562 0.956 0.578 CB 1.288 46 residues pruned to eliminate duplicates Z: 27 14.070 1.987 0.518 0.389 0.962 0.731 CB 1.070 27 residues pruned to eliminate duplicates Z: 22 14.158 1.904 0.597 0.518 0.857 0.667 CB 1.165 22 residues pruned to eliminate duplicates Z: 13 21.850 1.853 0.772 0.887 1.000 0.750 CB 1.385 13 residues pruned to eliminate duplicates Z: 13 20.394 1.806 0.803 0.891 0.917 0.750 CA 1.418 13 residues pruned to eliminate duplicates Z: 9 7.700 1.827 0.807 0.405 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 58 44.452 2.149 0.847 0.615 0.877 0.632 CB 1.518 58 residues pruned to eliminate duplicates Z: 8 8.371 1.518 1.073 0.487 0.857 0.571 N 1.188 Z: 60 26.662 1.952 0.705 0.434 0.881 0.542 CB 1.268 60 residues pruned to eliminate duplicates Z: 18 13.015 1.767 0.516 0.657 0.765 0.471 CB 1.332 18 residues pruned to eliminate duplicates Z: 27 16.544 1.834 0.618 0.571 0.885 0.731 CB 1.155 37 residues pruned to eliminate duplicates Z: 14 16.526 1.859 0.676 0.922 1.000 0.769 CB 1.034 14 residues pruned to eliminate duplicates Z: 13 17.800 2.135 0.860 0.375 0.917 0.750 CB 1.614 13 residues pruned to eliminate duplicates Z: 21 24.064 1.909 0.877 0.781 0.900 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 14 13.082 1.814 0.356 0.884 1.000 0.923 CB 1.065 14 residues pruned to eliminate duplicates Z: 14 16.302 1.810 0.810 0.725 0.846 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 18 18.967 1.854 0.712 0.692 0.941 0.706 CB 1.292 18 residues pruned to eliminate duplicates Z: 34 8.453 1.786 0.493 0.253 0.758 0.455 CB 0.967 34 residues pruned to eliminate duplicates Z: 20 11.050 1.875 0.689 0.331 0.789 0.632 CB 1.221 20 residues pruned to eliminate duplicates Z: 24 14.349 1.867 0.518 0.314 0.870 0.522 CB 1.491 24 residues pruned to eliminate duplicates Z: 10 2.121 1.545 0.862 0.252 0.444 0.222 CB 0.735 Z: 20 17.779 1.921 0.469 0.864 0.947 0.842 CB 1.119 20 residues pruned to eliminate duplicates Z: 13 16.868 1.804 0.659 0.827 0.917 0.917 CB 1.338 13 residues pruned to eliminate duplicates Z: 43 22.747 1.912 0.727 0.434 0.881 0.524 CB 1.292 43 residues pruned to eliminate duplicates Z: 20 24.889 1.989 0.668 0.886 0.947 0.684 CB 1.312 20 residues pruned to eliminate duplicates Z: 10 5.278 1.608 0.256 0.680 1.000 0.556 CB 0.738 Z: 61 31.889 1.980 0.805 0.553 0.883 0.600 CB 1.238 61 residues pruned to eliminate duplicates Z: 13 25.301 2.037 1.054 0.916 0.917 0.917 CB 1.345 13 residues pruned to eliminate duplicates Z: 7 4.750 1.568 0.463 0.377 0.833 0.333 CB 1.156 Z: 6 5.179 2.017 0.297 0.814 1.000 1.000 CB 0.674 Z: 37 14.078 1.879 0.566 0.297 0.778 0.417 CB 1.286 37 residues pruned to eliminate duplicates 9 1.731 1.591 0.740 0.129 0.625 0.250 CB 0.562 ? Z: 8 2.926 1.632 0.325 0.289 0.571 0.286 N 1.135 Z: 18 13.955 1.831 0.709 0.621 0.765 0.471 CB 1.261 18 residues pruned to eliminate duplicates Z: 6 13.041 1.786 1.498 0.759 0.800 0.600 CB 1.297 6 residues pruned to eliminate duplicates Z: 15 10.376 1.978 0.514 0.326 0.929 0.500 CB 1.208 15 residues pruned to eliminate duplicates Z: 19 26.455 2.102 0.763 0.752 1.000 0.833 CB 1.344 19 residues pruned to eliminate duplicates Z: 9 12.095 1.874 0.755 0.825 0.875 0.750 CB 1.121 9 residues pruned to eliminate duplicates Z: 14 10.443 1.707 0.608 0.721 1.000 0.769 CB 0.865 14 residues pruned to eliminate duplicates Z: 21 22.371 1.949 0.871 0.822 0.950 0.600 CB 1.093 21 residues pruned to eliminate duplicates Z: 74 34.337 1.959 0.667 0.585 0.877 0.630 CB 1.295 88 residues pruned to eliminate duplicates Z: 13 12.947 1.569 0.531 0.760 0.917 0.667 CB 1.348 Z: 11 10.620 1.898 0.392 0.743 0.900 0.600 CB 1.136 11 residues pruned to eliminate duplicates Z: 8 7.177 1.984 0.613 0.509 0.571 0.571 CB 1.472 8 residues pruned to eliminate duplicates Z: 9 3.913 1.682 0.192 0.484 0.875 0.375 CB 0.802 Z: 11 13.257 1.942 0.514 0.781 0.900 0.600 CB 1.236 11 residues pruned to eliminate duplicates Z: 15 19.802 1.889 0.661 0.587 1.000 0.714 CB 1.551 15 residues pruned to eliminate duplicates Z: 9 9.500 1.822 0.561 0.755 0.750 0.625 CB 1.254 9 residues pruned to eliminate duplicates Z: 6 4.385 1.596 0.296 0.474 0.800 0.600 CB 1.217 Z: 17 19.153 2.004 0.610 0.590 0.938 0.688 CB 1.453 17 residues pruned to eliminate duplicates Z: 51 31.594 1.943 0.657 0.617 0.940 0.620 CB 1.322 51 residues pruned to eliminate duplicates Z: 11 9.645 1.889 0.825 0.774 0.900 0.700 CB 0.772 11 residues pruned to eliminate duplicates Z: 14 21.929 2.127 0.815 0.609 1.000 0.615 CB 1.420 14 residues pruned to eliminate duplicates Z: 16 24.525 2.044 1.045 0.616 0.933 0.600 CB 1.455 16 residues pruned to eliminate duplicates Z: 11 13.699 1.703 0.685 0.688 0.900 0.700 N 1.411 11 residues pruned to eliminate duplicates Z: 9 5.774 1.821 0.468 0.547 0.875 0.625 CB 0.834 9 residues pruned to eliminate duplicates Z: 20 17.986 1.847 0.628 0.747 0.895 0.684 CB 1.230 20 residues pruned to eliminate duplicates Z: 20 12.219 1.976 0.736 0.396 0.895 0.632 CB 1.019 20 residues pruned to eliminate duplicates Z: 6 13.353 1.913 0.350 0.841 1.000 1.000 N 1.723 6 residues pruned to eliminate duplicates Z: 7 5.548 1.868 0.463 0.621 0.833 0.500 CB 0.887 6 residues pruned to eliminate duplicates Z: 38 28.895 2.004 0.683 0.653 0.946 0.676 CB 1.292 38 residues pruned to eliminate duplicates Z: 45 28.921 1.998 0.781 0.552 0.909 0.614 CB 1.281 45 residues pruned to eliminate duplicates Z: 88 31.993 1.936 0.680 0.496 0.816 0.517 CB 1.298 88 residues pruned to eliminate duplicates Z: 8 15.964 1.968 0.603 0.761 1.000 0.714 CB 1.518 8 residues pruned to eliminate duplicates Z: 13 8.783 1.722 0.735 0.321 0.833 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 28 14.987 1.863 0.557 0.407 0.815 0.630 CB 1.345 28 residues pruned to eliminate duplicates Z: 8 5.588 1.526 0.259 0.751 1.000 0.857 N 0.879 Z: 28 22.119 1.992 0.697 0.560 0.926 0.815 CB 1.283 28 residues pruned to eliminate duplicates Z: 6 4.139 1.442 1.160 0.381 0.800 0.600 CB 0.843 Z: 11 26.847 2.048 1.163 0.881 1.000 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 7 2.399 1.449 0.716 0.247 0.500 0.333 N 1.054 Z: 14 18.829 1.739 0.868 0.867 0.923 0.769 CB 1.274 14 residues pruned to eliminate duplicates Z: 7 5.379 1.252 1.064 0.656 1.000 0.500 CA 0.735 7 residues pruned to eliminate duplicates Z: 11 13.529 1.932 0.597 0.828 0.900 0.800 CB 1.160 11 residues pruned to eliminate duplicates Z: 11 22.150 2.000 0.725 0.826 0.900 0.600 CB 1.701 11 residues pruned to eliminate duplicates Z: 24 12.615 1.940 0.364 0.384 0.870 0.609 CB 1.294 24 residues pruned to eliminate duplicates Z: 15 4.837 1.540 0.185 0.313 0.786 0.500 CB 1.109 Z: 21 17.026 2.041 0.523 0.603 0.900 0.850 CB 1.233 21 residues pruned to eliminate duplicates Z: 11 16.735 1.932 0.784 0.896 0.900 0.400 CB 1.222 11 residues pruned to eliminate duplicates Z: 22 12.268 1.886 0.597 0.411 0.810 0.571 CB 1.205 22 residues pruned to eliminate duplicates Z: 35 25.017 2.056 0.638 0.536 0.853 0.559 CB 1.442 35 residues pruned to eliminate duplicates Z: 8 2.953 1.728 0.388 0.090 0.857 0.286 CB 0.920 Z: 52 47.714 2.094 0.854 0.684 1.000 0.725 CB 1.454 52 residues pruned to eliminate duplicates Z: 22 23.549 1.986 0.653 0.771 0.952 0.714 CB 1.292 22 residues pruned to eliminate duplicates Z: 20 26.143 2.054 0.834 0.742 0.842 0.579 CB 1.523 20 residues pruned to eliminate duplicates Z: 44 29.780 1.908 0.820 0.654 0.860 0.721 CB 1.316 44 residues pruned to eliminate duplicates Z: 77 35.862 1.997 0.763 0.537 0.868 0.553 CB 1.297 57 residues pruned to eliminate duplicates Z: 59 32.769 2.037 0.616 0.533 0.897 0.569 CB 1.411 59 residues pruned to eliminate duplicates Z: 13 11.561 1.819 0.472 0.788 0.917 0.750 CB 1.056 13 residues pruned to eliminate duplicates Z: 18 34.954 1.973 1.184 0.915 1.000 0.588 CB 1.390 18 residues pruned to eliminate duplicates 6 1.401 1.386 0.618 0.294 0.600 0.400 CB 0.587 ? Z: 50 35.242 2.048 0.786 0.620 0.898 0.571 CB 1.368 50 residues pruned to eliminate duplicates Z: 13 12.427 1.727 0.639 0.555 1.000 0.667 CB 1.202 13 residues pruned to eliminate duplicates 6 1.907 2.013 0.766 0.729 1.000 0.800 CB 0.195 ? Z: 34 28.635 1.895 0.829 0.648 0.970 0.667 CB 1.292 34 residues pruned to eliminate duplicates Z: 58 26.024 1.973 0.823 0.418 0.877 0.596 CB 1.190 58 residues pruned to eliminate duplicates Z: 12 17.115 1.870 0.719 0.873 0.909 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 17 6.179 1.609 0.501 0.263 0.875 0.438 CB 0.958 24 residues pruned to eliminate duplicates Z: 11 3.767 1.655 0.486 0.282 0.700 0.400 CB 0.885 Z: 14 6.303 1.596 0.540 0.373 0.769 0.308 CB 1.059 Z: 19 30.208 1.989 1.018 0.907 1.000 0.556 CB 1.261 19 residues pruned to eliminate duplicates Z: 7 5.951 1.406 0.213 0.769 1.000 0.833 N 1.122 Z: 6 7.146 1.874 1.031 0.867 1.000 0.600 CB 0.614 Z: 12 10.068 1.553 0.625 0.782 0.818 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 49 26.036 1.954 0.648 0.555 0.896 0.604 CB 1.235 49 residues pruned to eliminate duplicates Z: 86 34.970 1.905 0.806 0.576 0.859 0.647 CB 1.193 86 residues pruned to eliminate duplicates Z: 7 4.913 1.777 0.457 0.424 0.667 0.500 CB 1.258 8 1.780 1.438 -0.188 0.173 0.857 0.286 O 0.998 ? Z: 10 9.765 1.889 0.602 0.727 0.778 0.556 CB 1.127 10 residues pruned to eliminate duplicates Z: 11 8.041 1.817 0.277 0.735 1.000 0.700 CB 0.887 11 residues pruned to eliminate duplicates Z: 13 28.709 1.962 0.950 0.908 1.000 0.833 CB 1.539 13 residues pruned to eliminate duplicates Z: 34 22.918 2.016 0.650 0.539 0.879 0.485 CB 1.313 34 residues pruned to eliminate duplicates Z: 12 30.273 1.881 1.083 0.886 1.000 0.909 CB 1.681 26 residues pruned to eliminate duplicates Z: 7 11.948 1.787 0.699 0.641 1.000 0.833 N 1.408 9 residues pruned to eliminate duplicates Z: 10 8.955 1.670 0.620 0.449 0.889 0.556 CB 1.308 Z: 6 3.973 1.556 0.746 0.618 0.800 0.600 O 0.731 Z: 13 5.803 1.788 0.633 0.485 0.750 0.500 CB 0.777 13 residues pruned to eliminate duplicates Z: 19 28.705 2.115 0.740 0.719 1.000 0.889 CB 1.508 19 residues pruned to eliminate duplicates Z: 46 27.801 2.049 0.750 0.457 0.956 0.644 CB 1.264 46 residues pruned to eliminate duplicates Z: 6 10.435 1.729 0.581 0.707 1.000 1.000 CB 1.414 6 residues pruned to eliminate duplicates Z: 15 4.920 1.549 0.637 0.792 0.786 0.429 CB 0.511 Z: 6 7.633 1.771 0.882 0.733 1.000 0.800 CB 0.830 Z: 15 7.513 1.806 0.514 0.537 0.714 0.429 CB 0.992 15 residues pruned to eliminate duplicates Z: 7 4.140 1.586 0.383 0.448 0.833 0.833 N 0.976 Z: 22 19.264 1.828 0.459 0.657 1.000 0.714 CB 1.362 22 residues pruned to eliminate duplicates Z: 30 19.560 1.984 0.624 0.513 0.862 0.655 CB 1.291 30 residues pruned to eliminate duplicates Z: 9 3.855 1.498 0.469 0.354 0.625 0.500 CA 1.160 Z: 12 20.311 1.943 0.892 0.879 1.000 0.818 CB 1.208 12 residues pruned to eliminate duplicates Z: 21 19.525 2.011 0.885 0.454 0.950 0.650 CB 1.270 21 residues pruned to eliminate duplicates Z: 6 3.101 1.453 0.618 0.279 0.800 0.400 CB 0.947 Z: 19 24.705 2.072 0.671 0.611 0.944 0.611 CB 1.603 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 23.860 2.032 0.845 0.790 1.000 0.778 CB 1.644 10 residues pruned to eliminate duplicates Z: 12 14.948 2.008 0.884 0.644 0.818 0.727 CB 1.273 12 residues pruned to eliminate duplicates Z: 16 14.301 2.012 0.669 0.654 0.867 0.667 CB 1.100 16 residues pruned to eliminate duplicates Z: 10 10.514 1.918 0.800 0.551 0.667 0.667 CB 1.449 10 residues pruned to eliminate duplicates Z: 28 11.265 1.903 0.489 0.421 0.778 0.444 CB 1.068 28 residues pruned to eliminate duplicates Z: 19 15.859 2.080 0.602 0.513 0.889 0.500 CB 1.245 19 residues pruned to eliminate duplicates Z: 27 21.175 2.095 0.414 0.622 0.923 0.692 CB 1.353 27 residues pruned to eliminate duplicates Z: 30 22.414 2.088 0.624 0.590 0.931 0.724 CB 1.209 30 residues pruned to eliminate duplicates Z: 17 20.772 2.110 0.713 0.543 1.000 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 54 27.720 2.060 0.742 0.463 0.906 0.698 CB 1.216 69 residues pruned to eliminate duplicates Z: 28 25.379 2.093 0.543 0.639 0.963 0.667 CB 1.379 29 residues pruned to eliminate duplicates Z: 7 11.211 1.699 1.214 0.464 1.000 0.500 CA 1.262 7 residues pruned to eliminate duplicates Z: 29 24.791 2.102 0.663 0.591 0.893 0.714 CB 1.377 29 residues pruned to eliminate duplicates Z: 20 17.871 2.085 0.664 0.622 0.895 0.789 CB 1.177 20 residues pruned to eliminate duplicates Z: 20 17.542 2.088 0.572 0.609 0.895 0.842 CB 1.236 20 residues pruned to eliminate duplicates Z: 20 22.011 2.107 0.727 0.662 0.895 0.895 CB 1.335 20 residues pruned to eliminate duplicates Z: 28 26.870 2.107 0.799 0.612 0.926 0.667 CB 1.325 28 residues pruned to eliminate duplicates Z: 28 25.155 2.083 0.836 0.596 0.889 0.667 CB 1.299 28 residues pruned to eliminate duplicates Z: 31 27.326 2.091 0.806 0.552 0.933 0.733 CB 1.346 31 residues pruned to eliminate duplicates Z: 49 21.367 2.012 0.732 0.409 0.812 0.521 CB 1.197 49 residues pruned to eliminate duplicates Z: 47 24.008 2.022 0.689 0.478 0.913 0.717 CB 1.160 47 residues pruned to eliminate duplicates Z: 50 23.307 2.002 0.638 0.411 0.918 0.592 CB 1.213 50 residues pruned to eliminate duplicates Z: 52 29.672 2.065 0.713 0.457 0.902 0.627 CB 1.361 52 residues pruned to eliminate duplicates Z: 26 19.985 1.980 0.728 0.508 0.840 0.560 CB 1.379 26 residues pruned to eliminate duplicates Z: 54 31.225 2.049 0.819 0.468 0.943 0.698 CB 1.260 54 residues pruned to eliminate duplicates Z: 45 24.709 2.070 0.658 0.426 0.932 0.591 CB 1.258 45 residues pruned to eliminate duplicates Z: 46 31.748 2.080 0.677 0.494 0.933 0.600 CB 1.462 46 residues pruned to eliminate duplicates Z: 40 26.932 2.074 0.749 0.456 0.923 0.692 CB 1.347 40 residues pruned to eliminate duplicates Z: 49 28.563 2.021 0.849 0.413 0.958 0.688 CB 1.261 49 residues pruned to eliminate duplicates Z: 30 14.571 2.012 0.709 0.282 0.897 0.552 CB 1.122 30 residues pruned to eliminate duplicates Z: 47 26.587 2.071 0.684 0.482 0.891 0.609 CB 1.283 47 residues pruned to eliminate duplicates Z: 45 24.045 2.084 0.670 0.438 0.932 0.727 CB 1.191 45 residues pruned to eliminate duplicates Z: 24 15.454 2.031 0.622 0.366 0.870 0.609 CB 1.298 24 residues pruned to eliminate duplicates Z: 48 26.701 2.042 0.805 0.418 0.894 0.723 CB 1.288 48 residues pruned to eliminate duplicates Z: 53 25.867 2.050 0.707 0.437 0.865 0.635 CB 1.264 53 residues pruned to eliminate duplicates Z: 115 55.649 2.114 0.740 0.548 0.930 0.693 CB 1.454 115 residues pruned to eliminate duplicates Z: 46 26.509 2.104 0.635 0.488 0.889 0.644 CB 1.308 46 residues pruned to eliminate duplicates Z: 44 25.718 2.055 0.733 0.455 0.884 0.721 CB 1.305 44 residues pruned to eliminate duplicates Z: 31 17.917 1.913 0.702 0.335 0.933 0.500 CB 1.289 31 residues pruned to eliminate duplicates Z: 47 33.137 2.073 0.794 0.512 0.935 0.652 CB 1.389 47 residues pruned to eliminate duplicates Z: 33 17.101 1.991 0.694 0.329 0.844 0.531 CB 1.282 33 residues pruned to eliminate duplicates Z: 54 30.354 2.077 0.890 0.463 0.925 0.679 CB 1.192 54 residues pruned to eliminate duplicates Z: 66 33.813 2.060 0.667 0.472 0.877 0.631 CB 1.433 66 residues pruned to eliminate duplicates Z: 32 15.264 1.943 0.670 0.318 0.839 0.516 CB 1.232 32 residues pruned to eliminate duplicates Z: 28 19.343 2.043 0.680 0.329 0.963 0.593 CB 1.358 28 residues pruned to eliminate duplicates Z: 96 45.853 2.078 0.673 0.512 0.895 0.632 CB 1.495 96 residues pruned to eliminate duplicates Z: 36 27.597 2.040 0.802 0.525 0.857 0.486 CB 1.444 36 residues pruned to eliminate duplicates Z: 47 32.233 2.121 0.765 0.492 0.935 0.652 CB 1.369 47 residues pruned to eliminate duplicates Z: 73 34.985 2.070 0.793 0.456 0.889 0.681 CB 1.307 73 residues pruned to eliminate duplicates Z: 25 17.783 2.062 0.592 0.394 0.958 0.500 CB 1.290 25 residues pruned to eliminate duplicates Z: 25 20.827 2.027 0.855 0.379 0.958 0.583 CB 1.343 25 residues pruned to eliminate duplicates Z: 71 32.695 2.068 0.738 0.446 0.886 0.629 CB 1.298 71 residues pruned to eliminate duplicates Z: 68 37.808 2.128 0.644 0.493 0.955 0.657 CB 1.392 68 residues pruned to eliminate duplicates Z: 44 35.199 2.112 0.763 0.587 0.953 0.535 CB 1.392 44 residues pruned to eliminate duplicates Z: 76 39.513 2.113 0.821 0.487 0.907 0.693 CB 1.325 76 residues pruned to eliminate duplicates Z: 76 40.606 2.121 0.805 0.493 0.920 0.720 CB 1.340 76 residues pruned to eliminate duplicates Z: 45 38.546 2.148 0.654 0.666 0.909 0.795 CB 1.543 45 residues pruned to eliminate duplicates Z: 63 43.508 2.134 0.656 0.622 0.919 0.710 CB 1.516 63 residues pruned to eliminate duplicates Z: 42 38.558 2.183 0.739 0.643 0.927 0.756 CB 1.498 42 residues pruned to eliminate duplicates Z: 44 22.724 2.055 0.604 0.447 0.884 0.628 CB 1.257 44 residues pruned to eliminate duplicates Z: 28 21.466 2.051 0.735 0.489 0.778 0.519 CB 1.510 28 residues pruned to eliminate duplicates Z: 83 47.379 2.106 0.712 0.601 0.878 0.646 CB 1.502 83 residues pruned to eliminate duplicates Z: 48 29.258 2.143 0.636 0.455 0.936 0.617 CB 1.362 48 residues pruned to eliminate duplicates Z: 32 27.387 2.102 0.790 0.516 0.935 0.742 CB 1.376 32 residues pruned to eliminate duplicates Z: 24 25.649 2.174 0.668 0.615 0.870 0.739 CB 1.522 24 residues pruned to eliminate duplicates Z: 32 26.481 2.073 0.666 0.533 0.839 0.710 CB 1.589 32 residues pruned to eliminate duplicates Z: 84 40.488 2.085 0.755 0.494 0.904 0.578 CB 1.353 84 residues pruned to eliminate duplicates Z: 22 28.798 2.203 0.707 0.571 0.952 0.667 CB 1.638 22 residues pruned to eliminate duplicates Z: 77 40.344 2.101 0.841 0.495 0.882 0.645 CB 1.364 77 residues pruned to eliminate duplicates Z: 45 36.239 2.125 0.675 0.645 0.932 0.659 CB 1.438 45 residues pruned to eliminate duplicates Z: 79 38.813 2.102 0.705 0.491 0.923 0.615 CB 1.341 79 residues pruned to eliminate duplicates Z: 26 21.705 2.122 0.701 0.525 0.840 0.680 CB 1.397 26 residues pruned to eliminate duplicates Z: 20 22.175 2.155 0.803 0.582 0.842 0.632 CB 1.437 20 residues pruned to eliminate duplicates Z: 22 22.829 2.114 0.616 0.643 0.905 0.667 CB 1.410 22 residues pruned to eliminate duplicates Z: 31 17.964 1.877 0.710 0.502 0.800 0.500 CB 1.275 31 residues pruned to eliminate duplicates Z: 18 25.175 2.181 0.769 0.703 0.941 0.824 CB 1.397 18 residues pruned to eliminate duplicates Z: 58 40.316 2.040 0.810 0.636 0.912 0.684 CB 1.395 58 residues pruned to eliminate duplicates Z: 85 42.589 2.088 0.776 0.475 0.905 0.548 CB 1.421 85 residues pruned to eliminate duplicates Z: 63 34.631 2.051 0.647 0.521 0.887 0.565 CB 1.438 63 residues pruned to eliminate duplicates Z: 100 50.331 2.120 0.781 0.525 0.899 0.606 CB 1.455 100 residues pruned to eliminate duplicates Z: 22 29.454 2.083 0.963 0.708 0.952 0.571 CB 1.367 22 residues pruned to eliminate duplicates Z: 46 35.991 2.084 0.762 0.596 0.933 0.556 CB 1.428 46 residues pruned to eliminate duplicates Z: 23 24.872 2.082 0.711 0.672 1.000 0.818 CB 1.270 23 residues pruned to eliminate duplicates Z: 68 38.762 2.130 0.758 0.511 0.896 0.672 CB 1.397 68 residues pruned to eliminate duplicates Z: 62 50.359 2.174 0.792 0.631 0.934 0.689 CB 1.566 62 residues pruned to eliminate duplicates Z: 61 35.106 2.065 0.787 0.540 0.900 0.533 CB 1.312 61 residues pruned to eliminate duplicates Z: 69 41.374 2.136 0.765 0.545 0.912 0.691 CB 1.397 69 residues pruned to eliminate duplicates Z: 44 40.667 2.145 0.771 0.602 0.953 0.674 CB 1.554 44 residues pruned to eliminate duplicates Z: 82 46.527 2.105 0.767 0.557 0.938 0.617 CB 1.402 82 residues pruned to eliminate duplicates Z: 115 55.606 2.119 0.816 0.544 0.921 0.605 CB 1.408 115 residues pruned to eliminate duplicates Z: 69 36.950 2.095 0.722 0.521 0.912 0.632 CB 1.334 69 residues pruned to eliminate duplicates Z: 129 53.547 2.096 0.805 0.495 0.883 0.594 CB 1.424 129 residues pruned to eliminate duplicates Z: 57 36.623 2.099 0.830 0.556 0.821 0.679 CB 1.468 57 residues pruned to eliminate duplicates Z: 56 41.791 2.116 0.866 0.523 0.891 0.636 CB 1.565 56 residues pruned to eliminate duplicates Z: 68 45.331 2.128 0.861 0.556 0.866 0.582 CB 1.529 68 residues pruned to eliminate duplicates Z: 54 43.065 2.137 0.867 0.609 0.906 0.698 CB 1.477 54 residues pruned to eliminate duplicates Z: 20 23.900 1.995 0.930 0.548 0.895 0.737 CB 1.519 20 residues pruned to eliminate duplicates Z: 19 20.942 1.973 0.707 0.555 0.889 0.667 CA 1.562 19 residues pruned to eliminate duplicates Z: 23 22.191 2.038 0.630 0.543 0.818 0.545 CB 1.669 23 residues pruned to eliminate duplicates Z: 17 20.752 2.093 0.554 0.586 0.938 0.688 CB 1.566 17 residues pruned to eliminate duplicates Z: 36 30.289 2.085 0.655 0.536 0.886 0.543 CB 1.618 36 residues pruned to eliminate duplicates Z: 19 20.988 2.084 0.597 0.589 0.889 0.667 CB 1.535 19 residues pruned to eliminate duplicates Z: 26 32.119 2.106 0.879 0.574 0.920 0.520 CB 1.642 26 residues pruned to eliminate duplicates Z: 19 27.271 2.107 0.859 0.619 0.889 0.611 CB 1.649 19 residues pruned to eliminate duplicates Z: 27 26.169 2.060 0.658 0.547 0.885 0.577 CB 1.622 27 residues pruned to eliminate duplicates Z: 29 25.110 2.060 0.851 0.395 0.857 0.429 CB 1.623 29 residues pruned to eliminate duplicates Z: 36 34.215 2.112 0.821 0.579 0.886 0.600 CB 1.573 36 residues pruned to eliminate duplicates Z: 36 29.268 2.048 0.789 0.497 0.886 0.429 CB 1.529 36 residues pruned to eliminate duplicates Z: 39 32.031 2.096 0.774 0.533 0.868 0.553 CB 1.559 39 residues pruned to eliminate duplicates Z: 73 56.409 2.169 0.933 0.597 0.917 0.681 CB 1.577 73 residues pruned to eliminate duplicates Z: 26 20.246 2.044 0.774 0.410 0.840 0.520 CB 1.461 26 residues pruned to eliminate duplicates Z: 31 36.837 2.152 0.843 0.626 0.900 0.533 CB 1.673 31 residues pruned to eliminate duplicates Z: 80 52.238 2.142 0.913 0.565 0.911 0.658 CB 1.477 80 residues pruned to eliminate duplicates Z: 56 39.187 2.059 0.881 0.528 0.891 0.618 CB 1.490 56 residues pruned to eliminate duplicates Z: 56 34.101 2.067 0.831 0.547 0.818 0.655 CB 1.419 56 residues pruned to eliminate duplicates Z: 39 31.383 2.080 0.871 0.503 0.868 0.526 CB 1.501 39 residues pruned to eliminate duplicates Z: 54 39.940 2.100 0.903 0.547 0.868 0.623 CB 1.510 54 residues pruned to eliminate duplicates Z: 15 21.616 2.059 0.872 0.556 0.857 0.643 CB 1.656 15 residues pruned to eliminate duplicates Z: 14 25.605 2.115 0.878 0.673 0.923 0.615 CB 1.651 14 residues pruned to eliminate duplicates Z: 35 32.539 2.086 0.948 0.536 0.853 0.529 CB 1.554 35 residues pruned to eliminate duplicates Z: 54 37.995 2.087 0.969 0.516 0.830 0.547 CB 1.506 54 residues pruned to eliminate duplicates Z: 19 26.219 2.101 0.912 0.576 0.944 0.778 CB 1.514 19 residues pruned to eliminate duplicates Z: 17 21.853 2.066 0.822 0.525 0.938 0.625 CB 1.510 17 residues pruned to eliminate duplicates Z: 132 62.376 2.099 0.854 0.525 0.939 0.656 CB 1.455 134 residues pruned to eliminate duplicates Z: 6 16.876 2.029 0.632 0.852 1.000 1.000 CB 1.686 6 residues pruned to eliminate duplicates Z: 88 45.594 2.107 0.775 0.504 0.885 0.563 CB 1.470 88 residues pruned to eliminate duplicates Z: 39 27.080 2.027 0.758 0.503 0.816 0.526 CB 1.507 39 residues pruned to eliminate duplicates Z: 57 34.149 1.991 0.869 0.508 0.893 0.589 CB 1.362 57 residues pruned to eliminate duplicates Z: 12 8.618 1.868 0.439 0.343 0.818 0.455 CB 1.402 12 residues pruned to eliminate duplicates Z: 64 34.213 2.012 0.821 0.482 0.873 0.492 CB 1.373 64 residues pruned to eliminate duplicates Z: 21 18.446 2.009 0.793 0.443 0.900 0.500 CB 1.350 21 residues pruned to eliminate duplicates Z: 29 19.674 1.960 0.860 0.469 0.857 0.571 CB 1.228 29 residues pruned to eliminate duplicates Z: 15 9.617 1.931 0.806 0.361 0.857 0.571 CB 0.999 15 residues pruned to eliminate duplicates Z: 21 10.425 1.925 0.728 0.376 0.850 0.550 CB 0.941 21 residues pruned to eliminate duplicates Z: 60 32.296 2.042 0.832 0.461 0.864 0.492 CB 1.354 60 residues pruned to eliminate duplicates Z: 10 8.446 1.859 0.698 0.365 0.889 0.444 CB 1.159 10 residues pruned to eliminate duplicates Z: 12 8.186 1.845 0.609 0.418 0.909 0.455 CB 0.997 12 residues pruned to eliminate duplicates Z: 25 12.740 1.954 0.607 0.449 0.792 0.542 CB 1.103 25 residues pruned to eliminate duplicates Z: 23 13.925 1.963 0.655 0.413 0.864 0.455 CB 1.158 23 residues pruned to eliminate duplicates Z: 23 13.326 1.943 0.661 0.372 0.909 0.591 CB 1.110 23 residues pruned to eliminate duplicates Z: 52 25.445 1.957 0.808 0.403 0.863 0.510 CB 1.292 52 residues pruned to eliminate duplicates Z: 53 27.433 1.984 0.746 0.443 0.885 0.577 CB 1.317 53 residues pruned to eliminate duplicates Z: 20 12.438 1.955 0.775 0.329 0.842 0.526 CB 1.178 20 residues pruned to eliminate duplicates Z: 21 17.656 2.024 0.993 0.416 0.900 0.700 CB 1.187 21 residues pruned to eliminate duplicates Z: 48 32.970 2.078 0.840 0.599 0.872 0.766 CB 1.313 48 residues pruned to eliminate duplicates Z: 22 13.278 1.989 0.658 0.385 0.810 0.619 CB 1.226 22 residues pruned to eliminate duplicates Z: 18 10.074 1.807 0.553 0.407 0.824 0.471 CB 1.166 18 residues pruned to eliminate duplicates Z: 72 36.775 2.009 0.708 0.505 0.901 0.577 CB 1.405 72 residues pruned to eliminate duplicates Z: 52 31.674 2.061 0.761 0.544 0.902 0.627 CB 1.297 52 residues pruned to eliminate duplicates Z: 50 27.026 2.019 0.619 0.541 0.898 0.633 CB 1.263 50 residues pruned to eliminate duplicates Z: 48 31.972 2.080 0.776 0.533 0.915 0.660 CB 1.336 45 residues pruned to eliminate duplicates Z: 21 26.522 2.029 0.783 0.825 0.950 0.800 CB 1.303 21 residues pruned to eliminate duplicates Z: 53 33.408 2.018 0.699 0.574 0.942 0.635 CB 1.336 53 residues pruned to eliminate duplicates Z: 47 29.027 2.048 0.594 0.558 0.935 0.696 CB 1.326 47 residues pruned to eliminate duplicates Z: 32 18.080 1.952 0.736 0.446 0.871 0.613 CB 1.163 32 residues pruned to eliminate duplicates Z: 49 35.530 2.052 0.801 0.581 0.938 0.729 CB 1.370 49 residues pruned to eliminate duplicates Z: 53 31.589 2.021 0.765 0.570 0.923 0.635 CB 1.244 53 residues pruned to eliminate duplicates Z: 40 31.232 2.066 0.718 0.606 0.949 0.692 CB 1.343 40 residues pruned to eliminate duplicates Z: 40 29.108 2.067 0.700 0.578 0.949 0.641 CB 1.298 40 residues pruned to eliminate duplicates Z: 24 22.795 2.077 0.559 0.686 0.913 0.696 CB 1.355 24 residues pruned to eliminate duplicates Z: 50 30.029 1.982 0.762 0.533 0.898 0.490 CB 1.323 50 residues pruned to eliminate duplicates Z: 89 42.261 2.054 0.749 0.536 0.898 0.591 CB 1.349 150 residues pruned to eliminate duplicates Z: 51 33.793 2.049 0.787 0.554 0.960 0.720 CB 1.290 51 residues pruned to eliminate duplicates Z: 49 27.816 2.050 0.633 0.522 0.896 0.562 CB 1.310 49 residues pruned to eliminate duplicates Z: 55 36.224 2.034 0.871 0.580 0.907 0.741 CB 1.321 55 residues pruned to eliminate duplicates Z: 27 24.938 2.077 0.775 0.633 0.885 0.692 CB 1.323 27 residues pruned to eliminate duplicates Z: 53 31.734 2.035 0.669 0.530 0.942 0.577 CB 1.335 53 residues pruned to eliminate duplicates Z: 51 35.889 2.072 0.771 0.560 0.960 0.560 CB 1.360 51 residues pruned to eliminate duplicates Z: 53 32.517 2.050 0.678 0.556 0.942 0.615 CB 1.317 53 residues pruned to eliminate duplicates Z: 51 30.617 2.049 0.729 0.550 0.900 0.560 CB 1.293 51 residues pruned to eliminate duplicates Z: 55 33.312 2.021 0.751 0.573 0.907 0.574 CB 1.316 55 residues pruned to eliminate duplicates Z: 55 34.062 2.005 0.763 0.553 0.944 0.759 CB 1.319 55 residues pruned to eliminate duplicates Z: 39 27.889 2.054 0.617 0.569 0.921 0.500 CB 1.383 39 residues pruned to eliminate duplicates Z: 53 35.830 2.060 0.769 0.552 0.942 0.635 CB 1.375 53 residues pruned to eliminate duplicates Z: 52 32.652 2.012 0.751 0.549 0.922 0.627 CB 1.343 52 residues pruned to eliminate duplicates Z: 53 33.484 2.040 0.705 0.564 0.962 0.654 CB 1.305 53 residues pruned to eliminate duplicates Z: 53 37.439 2.053 0.761 0.565 0.962 0.596 CB 1.402 53 residues pruned to eliminate duplicates Z: 58 30.574 2.012 0.689 0.524 0.912 0.561 CB 1.275 58 residues pruned to eliminate duplicates Z: 51 35.965 2.074 0.761 0.595 0.940 0.680 CB 1.353 51 residues pruned to eliminate duplicates Z: 50 29.827 2.077 0.690 0.545 0.837 0.592 CB 1.388 50 residues pruned to eliminate duplicates Z: 50 39.329 2.141 0.719 0.659 0.918 0.714 CB 1.434 Z: 6 4.846 1.767 0.705 0.406 0.800 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 16 28.096 2.316 0.749 0.662 0.933 0.533 CB 1.651 16 residues pruned to eliminate duplicates Z: 61 37.008 2.047 0.618 0.581 0.933 0.617 CB 1.430 53 residues pruned to eliminate duplicates Z: 13 23.491 2.392 0.429 0.772 1.000 0.833 CB 1.560 13 residues pruned to eliminate duplicates Z: 44 38.791 2.146 0.599 0.705 0.977 0.651 CB 1.465 44 residues pruned to eliminate duplicates Z: 54 37.084 2.074 0.662 0.610 0.906 0.660 CB 1.470 54 residues pruned to eliminate duplicates Z: 16 24.109 2.285 0.825 0.564 0.867 0.533 CB 1.618 16 residues pruned to eliminate duplicates Z: 53 35.267 2.105 0.543 0.591 0.923 0.692 CB 1.495 50 residues pruned to eliminate duplicates Z: 11 24.101 2.017 1.125 0.783 1.000 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 41 37.342 2.065 0.764 0.703 0.950 0.725 CB 1.419 41 residues pruned to eliminate duplicates Z: 43 37.244 2.130 0.663 0.707 0.929 0.690 CB 1.448 43 residues pruned to eliminate duplicates Z: 52 39.773 2.106 0.739 0.619 0.961 0.667 CB 1.415 52 residues pruned to eliminate duplicates Z: 44 42.134 2.153 0.734 0.682 0.953 0.698 CB 1.527 44 residues pruned to eliminate duplicates Z: 44 43.168 2.154 0.797 0.716 0.953 0.744 CB 1.467 52 residues pruned to eliminate duplicates Z: 18 33.696 2.211 0.969 0.726 0.941 0.647 CB 1.627 18 residues pruned to eliminate duplicates Z: 51 38.071 2.064 0.757 0.663 0.940 0.680 CB 1.358 51 residues pruned to eliminate duplicates Z: 51 37.077 2.118 0.721 0.633 0.920 0.680 CB 1.381 51 residues pruned to eliminate duplicates Z: 65 38.127 2.062 0.757 0.594 0.891 0.672 CB 1.350 52 residues pruned to eliminate duplicates Z: 23 23.859 2.005 0.583 0.748 0.909 0.773 CB 1.412 23 residues pruned to eliminate duplicates Z: 53 39.352 2.105 0.731 0.634 0.942 0.654 CB 1.401 54 residues pruned to eliminate duplicates Z: 39 43.414 2.080 0.749 0.785 1.000 0.737 CB 1.507 39 residues pruned to eliminate duplicates Z: 45 44.961 2.144 0.901 0.697 0.955 0.682 CB 1.455 53 residues pruned to eliminate duplicates Z: 16 27.521 1.959 0.932 0.909 0.933 0.733 CB 1.427 16 residues pruned to eliminate duplicates Z: 50 36.291 2.127 0.717 0.611 0.898 0.612 CB 1.424 50 residues pruned to eliminate duplicates Z: 43 42.887 2.151 0.790 0.688 0.976 0.690 CB 1.483 43 residues pruned to eliminate duplicates Z: 44 48.357 2.168 0.882 0.704 0.977 0.674 CB 1.537 44 residues pruned to eliminate duplicates Z: 19 35.047 2.071 0.824 0.920 1.000 0.944 CB 1.539 21 residues pruned to eliminate duplicates Z: 17 36.243 2.082 1.130 0.920 1.000 0.812 CB 1.439 17 residues pruned to eliminate duplicates Z: 50 44.071 2.148 0.781 0.652 1.000 0.633 CB 1.429 50 residues pruned to eliminate duplicates Z: 50 46.176 2.140 0.838 0.648 0.980 0.714 CB 1.491 42 residues pruned to eliminate duplicates Z: 19 34.975 2.010 0.954 0.918 1.000 0.556 CB 1.480 19 residues pruned to eliminate duplicates Z: 59 38.882 2.071 0.841 0.596 0.879 0.552 CB 1.389 59 residues pruned to eliminate duplicates Z: 44 45.025 2.143 0.970 0.694 0.953 0.581 CB 1.429 44 residues pruned to eliminate duplicates Z: 45 44.713 2.116 1.061 0.694 0.932 0.636 CB 1.388 45 residues pruned to eliminate duplicates Z: 51 42.048 2.111 0.874 0.636 0.940 0.720 CB 1.407 51 residues pruned to eliminate duplicates Z: 44 47.169 2.148 0.948 0.689 0.977 0.744 CB 1.480 44 residues pruned to eliminate duplicates Z: 45 42.404 2.120 0.884 0.682 0.955 0.591 CB 1.418 45 residues pruned to eliminate duplicates Z: 52 43.050 2.103 0.908 0.644 0.941 0.627 CB 1.396 52 residues pruned to eliminate duplicates Z: 54 38.980 2.069 0.893 0.608 0.925 0.585 CB 1.334 54 residues pruned to eliminate duplicates Z: 38 33.813 2.070 0.845 0.643 0.919 0.649 CB 1.385 38 residues pruned to eliminate duplicates Z: 51 38.836 2.118 0.825 0.632 0.900 0.580 CB 1.394 50 residues pruned to eliminate duplicates Z: 6 5.414 1.555 0.802 0.307 0.800 0.400 N 1.339 6 residues pruned to eliminate duplicates Z: 51 44.165 2.136 0.885 0.644 0.960 0.680 CB 1.413 51 residues pruned to eliminate duplicates Z: 21 11.489 1.899 0.599 0.338 0.850 0.550 CB 1.188 14 residues pruned to eliminate duplicates Z: 19 20.093 1.841 0.786 0.672 0.889 0.611 CB 1.383 19 residues pruned to eliminate duplicates Z: 18 17.024 1.892 0.610 0.565 0.941 0.647 CB 1.354 28 residues pruned to eliminate duplicates Z: 17 19.279 1.879 0.692 0.732 0.938 0.625 CB 1.313 17 residues pruned to eliminate duplicates Z: 27 15.409 1.752 0.637 0.471 0.885 0.654 CB 1.227 32 residues pruned to eliminate duplicates Z: 20 13.370 1.766 0.354 0.706 0.789 0.526 CB 1.348 20 residues pruned to eliminate duplicates Z: 33 27.300 1.956 0.733 0.674 0.875 0.688 CB 1.386 33 residues pruned to eliminate duplicates Z: 49 29.057 1.940 0.643 0.654 0.917 0.583 CB 1.243 49 residues pruned to eliminate duplicates Z: 38 23.648 1.892 0.716 0.590 0.892 0.568 CB 1.232 38 residues pruned to eliminate duplicates Z: 33 23.346 1.909 0.512 0.657 0.938 0.719 CB 1.318 33 residues pruned to eliminate duplicates Z: 24 16.680 1.838 0.610 0.563 0.783 0.522 CB 1.414 24 residues pruned to eliminate duplicates Z: 18 16.303 1.825 0.761 0.580 0.765 0.412 CB 1.490 18 residues pruned to eliminate duplicates Z: 20 14.099 1.813 0.693 0.594 0.895 0.579 CB 1.077 20 residues pruned to eliminate duplicates Z: 20 20.164 1.859 0.758 0.677 0.947 0.579 CB 1.269 20 residues pruned to eliminate duplicates Z: 21 17.745 1.848 0.623 0.630 0.950 0.600 CB 1.232 21 residues pruned to eliminate duplicates Z: 40 25.112 1.888 0.578 0.623 0.949 0.641 CB 1.267 40 residues pruned to eliminate duplicates Z: 26 28.196 1.974 0.704 0.790 1.000 0.720 CB 1.300 26 residues pruned to eliminate duplicates Z: 41 32.788 1.929 0.728 0.714 0.975 0.550 CB 1.314 41 residues pruned to eliminate duplicates Z: 26 19.188 1.875 0.732 0.619 0.880 0.640 CB 1.200 26 residues pruned to eliminate duplicates Z: 48 30.777 1.937 0.750 0.648 0.915 0.660 CB 1.260 48 residues pruned to eliminate duplicates Z: 25 24.518 1.977 0.643 0.763 0.917 0.750 CB 1.331 25 residues pruned to eliminate duplicates Z: 41 31.598 1.933 0.582 0.722 0.975 0.650 CB 1.371 41 residues pruned to eliminate duplicates Z: 39 27.160 1.908 0.669 0.670 0.921 0.605 CB 1.284 39 residues pruned to eliminate duplicates Z: 40 25.184 1.918 0.653 0.630 0.846 0.564 CB 1.329 40 residues pruned to eliminate duplicates Z: 23 25.920 1.975 0.688 0.723 1.000 0.682 CB 1.356 23 residues pruned to eliminate duplicates Z: 40 34.793 1.946 0.736 0.734 0.974 0.692 CB 1.371 40 residues pruned to eliminate duplicates Z: 40 28.480 1.905 0.750 0.693 0.923 0.590 CB 1.242 40 residues pruned to eliminate duplicates Z: 24 27.641 1.978 0.789 0.757 0.957 0.522 CB 1.354 24 residues pruned to eliminate duplicates Z: 22 28.373 1.993 0.962 0.816 0.905 0.571 CB 1.330 22 residues pruned to eliminate duplicates Z: 40 32.785 1.928 0.839 0.690 0.949 0.641 CB 1.312 40 residues pruned to eliminate duplicates Z: 41 28.804 1.924 0.792 0.705 0.925 0.500 CB 1.186 41 residues pruned to eliminate duplicates Z: 58 28.002 1.882 0.780 0.557 0.877 0.561 CB 1.194 58 residues pruned to eliminate duplicates Z: 31 27.652 1.975 0.871 0.664 0.867 0.567 CB 1.354 31 residues pruned to eliminate duplicates Z: 28 30.100 1.964 0.858 0.747 0.963 0.704 CB 1.322 28 residues pruned to eliminate duplicates Z: 28 25.904 1.872 0.957 0.730 0.963 0.519 CB 1.149 28 residues pruned to eliminate duplicates Z: 48 29.019 1.892 1.004 0.602 0.894 0.638 CB 1.134 48 residues pruned to eliminate duplicates Z: 30 25.208 1.904 0.932 0.619 0.862 0.517 CB 1.319 30 residues pruned to eliminate duplicates Z: 48 31.993 1.946 0.802 0.655 0.915 0.723 CB 1.259 48 residues pruned to eliminate duplicates Z: 44 29.092 1.910 0.881 0.562 0.860 0.512 CB 1.350 44 residues pruned to eliminate duplicates Z: 48 31.859 1.929 0.825 0.627 0.894 0.574 CB 1.311 48 residues pruned to eliminate duplicates Z: 49 30.646 1.854 0.818 0.619 0.917 0.625 CB 1.279 49 residues pruned to eliminate duplicates Z: 27 25.557 1.976 0.770 0.667 0.885 0.577 CB 1.388 27 residues pruned to eliminate duplicates Z: 47 34.851 1.941 0.829 0.655 0.978 0.587 CB 1.281 60 residues pruned to eliminate duplicates Z: 6 4.206 1.624 0.676 0.331 0.800 0.600 CA 1.040 6 residues pruned to eliminate duplicates Z: 47 19.228 1.974 0.523 0.403 0.848 0.630 CB 1.232 47 residues pruned to eliminate duplicates Z: 64 34.414 1.962 0.689 0.635 0.889 0.619 CB 1.297 64 residues pruned to eliminate duplicates Z: 19 21.467 2.042 0.598 0.686 1.000 0.833 CB 1.307 19 residues pruned to eliminate duplicates Z: 66 36.415 1.929 0.745 0.643 0.892 0.662 CB 1.315 66 residues pruned to eliminate duplicates Z: 66 35.203 1.931 0.764 0.630 0.877 0.615 CB 1.293 66 residues pruned to eliminate duplicates Z: 17 18.897 2.040 0.662 0.665 0.938 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 56 22.665 1.999 0.600 0.419 0.891 0.691 CB 1.166 56 residues pruned to eliminate duplicates Z: 39 26.708 1.986 0.875 0.651 0.895 0.684 CB 1.129 39 residues pruned to eliminate duplicates Z: 45 30.651 1.977 0.776 0.636 0.864 0.727 CB 1.341 45 residues pruned to eliminate duplicates Z: 61 38.199 1.971 0.829 0.661 0.933 0.633 CB 1.263 61 residues pruned to eliminate duplicates Z: 86 34.717 1.972 0.747 0.522 0.847 0.565 CB 1.263 86 residues pruned to eliminate duplicates Z: 44 21.314 1.978 0.660 0.398 0.837 0.698 CB 1.316 44 residues pruned to eliminate duplicates Z: 43 21.582 1.977 0.640 0.420 0.857 0.667 CB 1.303 43 residues pruned to eliminate duplicates Z: 25 10.470 1.854 0.752 0.283 0.792 0.417 CB 1.062 25 residues pruned to eliminate duplicates Z: 41 22.922 2.056 0.573 0.422 0.950 0.800 CB 1.280 41 residues pruned to eliminate duplicates Z: 17 12.040 2.016 0.301 0.396 0.938 0.750 CB 1.367 17 residues pruned to eliminate duplicates Z: 44 18.725 1.983 0.405 0.420 0.884 0.628 CB 1.261 44 residues pruned to eliminate duplicates Z: 71 32.878 2.009 0.755 0.488 0.886 0.629 CB 1.274 71 residues pruned to eliminate duplicates Z: 27 15.624 2.028 0.580 0.300 0.923 0.538 CB 1.294 27 residues pruned to eliminate duplicates Z: 27 16.127 2.003 0.531 0.320 0.923 0.615 CB 1.362 27 residues pruned to eliminate duplicates Z: 42 23.362 2.034 0.772 0.418 0.927 0.634 CB 1.191 42 residues pruned to eliminate duplicates Z: 78 41.012 1.991 0.711 0.596 0.948 0.597 CB 1.321 78 residues pruned to eliminate duplicates Z: 47 23.720 1.980 0.732 0.401 0.891 0.587 CB 1.269 47 residues pruned to eliminate duplicates Z: 31 21.142 2.051 0.535 0.459 0.967 0.633 CB 1.323 31 residues pruned to eliminate duplicates Z: 47 22.253 1.988 0.611 0.402 0.870 0.630 CB 1.307 47 residues pruned to eliminate duplicates Z: 48 22.099 1.982 0.685 0.357 0.872 0.638 CB 1.291 48 residues pruned to eliminate duplicates Z: 49 22.143 1.976 0.612 0.398 0.875 0.521 CB 1.277 49 residues pruned to eliminate duplicates Z: 86 32.001 1.924 0.706 0.477 0.871 0.576 CB 1.244 86 residues pruned to eliminate duplicates Z: 96 39.445 1.920 0.783 0.481 0.926 0.632 CB 1.301 96 residues pruned to eliminate duplicates Z: 13 9.069 1.918 0.775 0.192 0.917 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 11 11.547 2.003 0.845 0.264 1.000 0.800 CB 1.294 11 residues pruned to eliminate duplicates Z: 11 9.381 1.941 0.780 0.264 1.000 0.500 CB 1.123 11 residues pruned to eliminate duplicates Z: 32 17.862 1.928 0.564 0.379 0.935 0.548 CB 1.294 32 residues pruned to eliminate duplicates Z: 12 9.307 1.949 0.939 0.229 0.818 0.636 CB 1.245 12 residues pruned to eliminate duplicates Z: 28 16.482 1.920 0.602 0.313 1.000 0.556 CB 1.267 28 residues pruned to eliminate duplicates Z: 25 17.296 2.013 0.913 0.326 0.917 0.708 CB 1.211 25 residues pruned to eliminate duplicates Z: 10 7.418 1.948 0.945 0.271 0.889 0.556 CB 0.952 10 residues pruned to eliminate duplicates Z: 51 27.270 2.007 0.735 0.447 0.940 0.780 CB 1.244 52 residues pruned to eliminate duplicates Z: 8 9.332 1.925 0.835 0.590 0.857 0.429 CB 1.069 8 residues pruned to eliminate duplicates Z: 65 27.923 2.016 0.568 0.467 0.922 0.656 CB 1.238 65 residues pruned to eliminate duplicates Z: 20 15.117 1.997 0.689 0.392 0.895 0.579 CB 1.289 20 residues pruned to eliminate duplicates Z: 24 13.986 1.949 0.512 0.394 0.913 0.652 CB 1.213 24 residues pruned to eliminate duplicates Z: 26 12.805 1.945 0.614 0.352 0.840 0.560 CB 1.140 26 residues pruned to eliminate duplicates Z: 23 22.156 2.036 0.689 0.619 0.955 0.773 CB 1.286 23 residues pruned to eliminate duplicates Z: 30 23.061 2.034 0.736 0.558 0.966 0.793 CB 1.186 30 residues pruned to eliminate duplicates Z: 25 13.668 1.995 0.726 0.315 0.875 0.667 CB 1.137 25 residues pruned to eliminate duplicates Z: 25 13.988 1.911 0.925 0.305 0.875 0.542 CB 1.101 25 residues pruned to eliminate duplicates Z: 31 17.148 1.983 0.727 0.360 0.833 0.633 CB 1.276 31 residues pruned to eliminate duplicates Z: 20 13.772 2.030 0.572 0.381 0.842 0.579 CB 1.335 20 residues pruned to eliminate duplicates Z: 19 13.925 2.021 0.506 0.456 0.833 0.667 CB 1.354 18 residues pruned to eliminate duplicates Z: 9 5.716 1.679 0.438 0.569 0.875 0.625 CB 0.895 9 residues pruned to eliminate duplicates Z: 25 20.193 1.996 0.575 0.597 0.917 0.708 CB 1.305 24 residues pruned to eliminate duplicates Z: 14 18.485 1.943 0.458 0.873 1.000 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 27 18.944 2.025 0.537 0.567 0.923 0.731 CB 1.211 27 residues pruned to eliminate duplicates Z: 16 16.298 1.891 0.474 0.762 1.000 0.800 CB 1.196 16 residues pruned to eliminate duplicates Z: 22 23.580 2.080 0.727 0.629 1.000 0.762 CB 1.269 22 residues pruned to eliminate duplicates Z: 49 27.118 1.978 0.611 0.607 0.938 0.688 CB 1.184 50 residues pruned to eliminate duplicates Z: 8 12.535 1.632 1.305 0.500 1.000 0.571 CA 1.259 Z: 14 19.942 2.058 0.512 0.831 1.000 0.923 CB 1.335 22 residues pruned to eliminate duplicates Z: 22 19.413 2.030 0.647 0.703 0.905 0.762 CB 1.164 22 residues pruned to eliminate duplicates Z: 23 22.676 2.006 0.651 0.728 0.909 0.818 CB 1.308 20 residues pruned to eliminate duplicates Z: 13 20.545 1.901 0.722 0.852 0.917 0.750 CB 1.462 16 residues pruned to eliminate duplicates Z: 13 22.862 2.004 0.918 0.936 1.000 1.000 CB 1.196 12 residues pruned to eliminate duplicates Z: 13 25.613 1.985 0.800 0.917 1.000 0.750 CB 1.460 14 residues pruned to eliminate duplicates Z: 13 24.958 1.959 0.820 0.900 1.000 0.917 CB 1.444 13 residues pruned to eliminate duplicates Z: 36 30.650 2.016 0.748 0.653 0.971 0.714 CB 1.313 36 residues pruned to eliminate duplicates Z: 25 21.073 1.886 0.837 0.576 0.833 0.583 CB 1.385 25 residues pruned to eliminate duplicates Z: 34 25.868 1.972 0.625 0.666 0.909 0.606 CB 1.325 20 residues pruned to eliminate duplicates Z: 13 27.388 1.995 0.918 0.916 1.000 0.750 CB 1.459 13 residues pruned to eliminate duplicates Z: 36 32.011 2.009 0.795 0.650 0.971 0.686 CB 1.343 34 residues pruned to eliminate duplicates Z: 14 25.812 1.968 0.819 0.849 1.000 0.846 CB 1.483 14 residues pruned to eliminate duplicates Z: 39 24.944 1.889 0.788 0.566 0.921 0.579 CB 1.221 39 residues pruned to eliminate duplicates Z: 38 29.700 1.997 0.704 0.628 0.946 0.757 CB 1.345 38 residues pruned to eliminate duplicates Z: 36 33.233 2.014 0.850 0.660 1.000 0.686 CB 1.300 36 residues pruned to eliminate duplicates Z: 37 30.557 1.965 0.793 0.650 0.972 0.750 CB 1.293 37 residues pruned to eliminate duplicates Z: 41 21.790 1.903 0.581 0.589 0.875 0.625 CB 1.202 41 residues pruned to eliminate duplicates Z: 38 27.067 1.960 0.929 0.618 0.892 0.514 CB 1.181 38 residues pruned to eliminate duplicates Z: 40 27.044 1.970 0.662 0.583 0.923 0.667 CB 1.323 40 residues pruned to eliminate duplicates Z: 36 29.036 2.017 0.754 0.664 0.971 0.657 CB 1.226 36 residues pruned to eliminate duplicates Z: 37 26.952 1.991 0.709 0.648 0.944 0.639 CB 1.217 37 residues pruned to eliminate duplicates Z: 39 30.574 1.987 0.893 0.623 0.921 0.684 CB 1.275 39 residues pruned to eliminate duplicates Z: 36 31.152 2.021 0.744 0.655 0.971 0.800 CB 1.332 36 residues pruned to eliminate duplicates Z: 36 31.472 2.014 0.860 0.663 0.914 0.629 CB 1.335 36 residues pruned to eliminate duplicates Z: 40 25.727 1.947 0.666 0.612 0.949 0.718 CB 1.205 40 residues pruned to eliminate duplicates Z: 15 5.218 1.645 0.473 0.342 0.643 0.429 CB 1.062 15 residues pruned to eliminate duplicates Z: 26 13.082 1.899 0.464 0.391 0.800 0.480 CB 1.321 26 residues pruned to eliminate duplicates Z: 10 6.725 1.739 0.372 0.374 0.889 0.556 N 1.209 10 residues pruned to eliminate duplicates Z: 52 29.980 1.979 0.641 0.580 0.902 0.627 CB 1.327 32 residues pruned to eliminate duplicates Z: 7 2.409 1.358 0.527 0.251 1.000 0.333 CA 0.632 7 residues pruned to eliminate duplicates Z: 8 8.857 1.835 0.559 0.413 0.857 0.429 CB 1.496 8 residues pruned to eliminate duplicates Z: 13 7.073 1.843 0.362 0.334 0.917 0.500 CB 1.064 13 residues pruned to eliminate duplicates Z: 14 11.272 1.839 0.454 0.456 0.923 0.385 CB 1.325 14 residues pruned to eliminate duplicates Z: 43 22.125 1.907 0.668 0.481 0.881 0.595 CB 1.242 43 residues pruned to eliminate duplicates Z: 19 15.848 1.885 0.654 0.557 0.889 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 44 28.787 1.991 0.681 0.606 0.860 0.698 CB 1.378 44 residues pruned to eliminate duplicates Z: 17 9.807 1.877 0.516 0.353 0.688 0.500 CB 1.471 16 residues pruned to eliminate duplicates Z: 8 14.908 1.870 0.870 0.728 0.857 0.286 O 1.531 9 residues pruned to eliminate duplicates Z: 7 14.428 2.030 0.688 0.655 0.833 0.667 N 1.787 7 residues pruned to eliminate duplicates Z: 55 30.073 1.976 0.656 0.558 0.889 0.574 CB 1.330 55 residues pruned to eliminate duplicates Z: 15 12.836 1.927 0.618 0.414 0.786 0.429 CB 1.532 15 residues pruned to eliminate duplicates Z: 80 34.085 1.964 0.666 0.528 0.899 0.557 CB 1.269 80 residues pruned to eliminate duplicates Z: 54 20.320 1.927 0.597 0.396 0.811 0.396 CB 1.248 54 residues pruned to eliminate duplicates Z: 27 12.735 1.906 0.503 0.374 0.808 0.500 CB 1.235 27 residues pruned to eliminate duplicates Z: 26 15.965 1.916 0.620 0.390 0.840 0.440 CB 1.376 16 residues pruned to eliminate duplicates Z: 26 28.950 1.952 0.789 0.725 0.920 0.800 CB 1.471 26 residues pruned to eliminate duplicates Z: 52 31.311 2.037 0.734 0.569 0.902 0.608 CB 1.288 52 residues pruned to eliminate duplicates Z: 96 44.006 2.008 0.740 0.563 0.884 0.642 CB 1.375 96 residues pruned to eliminate duplicates Z: 25 19.931 1.924 0.790 0.427 0.917 0.625 CB 1.390 25 residues pruned to eliminate duplicates Z: 26 24.049 2.039 0.772 0.559 0.920 0.720 CB 1.366 26 residues pruned to eliminate duplicates Z: 51 29.442 2.028 0.718 0.488 0.900 0.620 CB 1.344 51 residues pruned to eliminate duplicates Z: 93 37.791 1.952 0.695 0.513 0.891 0.609 CB 1.319 93 residues pruned to eliminate duplicates Z: 62 32.459 2.014 0.720 0.509 0.902 0.607 CB 1.319 62 residues pruned to eliminate duplicates Z: 68 34.492 2.045 0.775 0.508 0.821 0.567 CB 1.403 68 residues pruned to eliminate duplicates Z: 41 33.403 2.081 0.780 0.572 0.925 0.575 CB 1.438 41 residues pruned to eliminate duplicates Z: 53 36.704 2.031 0.815 0.517 0.923 0.577 CB 1.471 53 residues pruned to eliminate duplicates Z: 35 28.029 2.075 0.699 0.632 0.882 0.618 CB 1.365 35 residues pruned to eliminate duplicates Z: 41 34.009 2.089 0.785 0.617 0.925 0.625 CB 1.395 41 residues pruned to eliminate duplicates Z: 41 28.118 2.048 0.788 0.568 0.900 0.675 CB 1.263 41 residues pruned to eliminate duplicates Z: 37 30.049 2.104 0.853 0.641 0.861 0.722 CB 1.308 37 residues pruned to eliminate duplicates Z: 58 33.595 2.006 0.760 0.547 0.842 0.579 CB 1.429 58 residues pruned to eliminate duplicates Z: 66 27.203 1.972 0.609 0.473 0.831 0.508 CB 1.316 66 residues pruned to eliminate duplicates Z: 51 31.440 2.021 0.809 0.520 0.860 0.680 CB 1.387 51 residues pruned to eliminate duplicates Z: 41 28.270 2.045 0.794 0.608 0.925 0.700 CB 1.188 41 residues pruned to eliminate duplicates Z: 59 33.167 2.025 0.797 0.535 0.862 0.603 CB 1.341 59 residues pruned to eliminate duplicates Z: 42 32.071 2.077 0.794 0.570 0.976 0.659 CB 1.288 42 residues pruned to eliminate duplicates Z: 108 42.425 1.994 0.704 0.551 0.888 0.570 CB 1.294 108 residues pruned to eliminate duplicates Z: 65 36.012 2.060 0.679 0.541 0.891 0.594 CB 1.404 65 residues pruned to eliminate duplicates Z: 41 32.908 2.068 0.754 0.610 0.950 0.700 CB 1.360 41 residues pruned to eliminate duplicates Z: 66 32.587 2.023 0.749 0.490 0.877 0.600 CB 1.316 66 residues pruned to eliminate duplicates Z: 52 30.196 2.046 0.629 0.551 0.863 0.627 CB 1.399 52 residues pruned to eliminate duplicates Z: 53 34.955 2.051 0.857 0.555 0.923 0.692 CB 1.306 53 residues pruned to eliminate duplicates Z: 43 35.014 2.070 0.826 0.617 0.905 0.595 CB 1.415 43 residues pruned to eliminate duplicates Z: 81 35.096 1.939 0.736 0.502 0.900 0.588 CB 1.293 81 residues pruned to eliminate duplicates Z: 66 34.771 2.034 0.762 0.527 0.846 0.600 CB 1.384 66 residues pruned to eliminate duplicates Z: 54 31.077 1.960 0.770 0.499 0.906 0.509 CB 1.359 54 residues pruned to eliminate duplicates Z: 52 32.369 2.045 0.758 0.563 0.882 0.647 CB 1.344 52 residues pruned to eliminate duplicates Z: 68 36.138 2.026 0.727 0.515 0.881 0.567 CB 1.411 68 residues pruned to eliminate duplicates Z: 51 35.594 2.075 0.761 0.595 0.900 0.620 CB 1.398 51 residues pruned to eliminate duplicates Z: 53 32.606 2.041 0.755 0.579 0.885 0.596 CB 1.323 53 residues pruned to eliminate duplicates Z: 73 38.496 2.061 0.693 0.585 0.917 0.639 CB 1.308 73 residues pruned to eliminate duplicates 469 residues left after pruning, divided into chains as follows: A: 13 B: 183 C: 53 D: 220 CC for partial structure against native data = 43.08 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.679, Connect. = 0.751 for dens.mod. cycle 1 = 0.300, Contrast = 0.786, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.926, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.953, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.970, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.975, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.978, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.977, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.976, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.973, Connect. = 0.803 for dens.mod. cycle 10 TimeTaking 209.62