++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:02:02 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-hancs/2avn-2.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.ins Phases from ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.phi Native data from ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.hkl Listing output to ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.lst Phases output to ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.phs Poly-Ala trace output to ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 64 2 2 Allowed origin shift code: 10 35104 Reflections read from file ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.phi 35104 Reflections read from file ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.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 = 0.378, Connect. = 0.677 for dens.mod. cycle 1 = 0.300, Contrast = 0.489, Connect. = 0.700 for dens.mod. cycle 2 = 0.300, Contrast = 0.761, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.894, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.971, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 1.012, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 1.033, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 1.043, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 1.047, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 1.047, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2190 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 539 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 22.708 1.980 0.815 0.812 1.000 0.800 CA 1.523 B: 12 28.952 2.079 1.000 0.844 1.000 0.727 CB 1.562 C: 19 22.439 1.967 0.987 0.728 0.778 0.333 CB 1.417 11 residues pruned to eliminate duplicates D: 11 27.019 2.144 0.848 0.817 1.000 0.900 CA 1.637 11 residues pruned to eliminate duplicates E: 15 30.991 1.938 1.017 0.901 1.000 0.786 CB 1.513 F: 33 31.942 2.060 0.932 0.522 0.906 0.594 CB 1.532 12 residues pruned to eliminate duplicates G: 13 18.760 1.949 1.084 0.845 0.833 0.750 CB 1.190 13 residues pruned to eliminate duplicates H: 11 23.561 2.002 0.787 0.891 1.000 0.900 CB 1.497 I: 20 35.704 1.950 0.916 0.923 1.000 0.789 CB 1.541 J: 12 15.546 1.897 0.329 0.812 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates K: 11 18.616 1.979 0.800 0.851 0.800 0.700 CB 1.529 11 residues pruned to eliminate duplicates L: 7 4.641 1.851 0.195 0.333 0.833 0.500 CB 1.233 M: 19 19.367 1.991 0.635 0.667 0.889 0.778 CB 1.352 N: 15 23.535 1.863 0.617 0.906 1.000 1.000 CB 1.485 15 residues pruned to eliminate duplicates O: 13 33.805 2.115 1.225 0.869 1.000 0.667 CB 1.515 P: 21 31.740 1.895 1.101 0.892 1.000 0.750 CB 1.280 Q: 15 26.654 2.069 0.866 0.848 0.929 0.786 CB 1.473 R: 17 20.331 2.062 0.792 0.680 0.875 0.812 CB 1.332 19 residues pruned to eliminate duplicates S: 14 27.915 2.031 0.731 0.890 0.923 0.846 CB 1.716 14 residues pruned to eliminate duplicates T: 14 25.228 1.806 0.819 0.878 1.000 0.769 O 1.546 U: 53 44.981 2.044 1.084 0.549 0.904 0.519 CB 1.545 46 residues pruned to eliminate duplicates V: 19 27.200 1.930 0.695 0.942 1.000 1.000 CB 1.360 19 residues pruned to eliminate duplicates W: 15 21.487 1.928 0.750 0.890 0.857 0.643 CB 1.428 15 residues pruned to eliminate duplicates X: 19 27.156 1.986 0.723 0.884 0.889 0.778 CB 1.520 19 residues pruned to eliminate duplicates Y: 10 17.112 1.896 0.550 0.875 0.889 0.778 CB 1.588 Z: 14 22.850 1.913 0.946 0.853 0.923 0.769 CB 1.364 14 residues pruned to eliminate duplicates Z: 6 15.018 1.980 0.613 0.773 1.000 0.600 CB 1.651 Z: 8 10.440 1.816 0.634 0.830 0.714 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 14 19.049 1.609 0.722 0.866 0.923 0.846 C 1.513 10 residues pruned to eliminate duplicates Z: 19 34.096 2.007 0.968 0.914 1.000 0.889 CB 1.439 20 residues pruned to eliminate duplicates Z: 80 46.842 2.050 0.900 0.548 0.873 0.582 CB 1.479 71 residues pruned to eliminate duplicates Z: 15 24.929 1.959 0.750 0.899 0.929 0.714 CB 1.496 15 residues pruned to eliminate duplicates Z: 16 29.482 1.983 0.857 0.868 1.000 0.867 CB 1.512 15 residues pruned to eliminate duplicates Z: 67 34.342 1.966 0.799 0.518 0.939 0.773 CB 1.250 17 residues pruned to eliminate duplicates Z: 14 20.265 1.852 0.515 0.901 0.923 0.923 CA 1.549 14 residues pruned to eliminate duplicates Z: 15 32.371 2.086 0.940 0.893 1.000 0.929 CB 1.534 16 residues pruned to eliminate duplicates Z: 22 29.680 1.963 0.930 0.818 0.952 0.762 CB 1.361 15 residues pruned to eliminate duplicates Z: 18 20.237 1.991 0.857 0.759 0.765 0.412 CB 1.379 18 residues pruned to eliminate duplicates Z: 20 26.710 2.004 1.119 0.719 0.895 0.789 CB 1.323 Z: 11 31.648 2.170 0.921 0.804 1.000 0.700 CA 1.842 11 residues pruned to eliminate duplicates Z: 12 25.470 2.048 1.201 0.830 0.909 0.545 CB 1.409 12 residues pruned to eliminate duplicates Z: 18 28.082 1.994 0.750 0.933 1.000 1.000 CB 1.362 18 residues pruned to eliminate duplicates Z: 52 40.757 1.909 0.888 0.647 0.980 0.706 CB 1.408 20 residues pruned to eliminate duplicates Z: 65 39.887 2.008 0.801 0.524 0.938 0.734 CB 1.436 35 residues pruned to eliminate duplicates Z: 13 27.002 2.134 1.264 0.633 0.833 0.667 CB 1.709 13 residues pruned to eliminate duplicates Z: 7 4.164 1.819 0.629 0.262 0.667 0.333 CB 1.128 Z: 13 13.124 1.864 1.035 0.556 1.000 0.750 CB 0.946 13 residues pruned to eliminate duplicates Z: 30 23.418 1.991 0.790 0.529 0.966 0.655 CB 1.228 30 residues pruned to eliminate duplicates Z: 9 9.274 1.580 0.748 0.763 1.000 0.500 N 0.940 9 residues pruned to eliminate duplicates Z: 12 17.541 1.796 0.522 0.817 1.000 0.909 CB 1.469 12 residues pruned to eliminate duplicates Z: 12 17.457 2.041 0.600 0.873 0.909 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 12 24.950 2.159 0.845 0.692 0.909 0.636 CB 1.743 12 residues pruned to eliminate duplicates Z: 87 40.087 1.899 0.853 0.558 0.884 0.605 CB 1.314 44 residues pruned to eliminate duplicates Z: 82 44.073 1.970 0.904 0.511 0.914 0.654 CB 1.414 31 residues pruned to eliminate duplicates Z: 6 6.803 1.795 0.498 0.559 0.800 0.600 CB 1.335 Z: 16 30.949 1.986 0.977 0.915 1.000 0.867 CB 1.439 16 residues pruned to eliminate duplicates Z: 24 25.573 1.930 0.787 0.760 0.913 0.609 CB 1.344 24 residues pruned to eliminate duplicates Z: 12 27.280 2.149 1.018 0.899 0.909 0.818 CB 1.492 12 residues pruned to eliminate duplicates Z: 12 33.636 1.968 1.110 0.941 1.000 1.000 CB 1.695 18 residues pruned to eliminate duplicates Z: 15 23.806 1.882 0.708 0.893 1.000 0.857 CB 1.421 15 residues pruned to eliminate duplicates Z: 47 30.400 1.863 0.755 0.549 0.913 0.543 CB 1.431 47 residues pruned to eliminate duplicates Z: 12 30.884 1.999 1.199 0.885 1.000 0.818 CA 1.529 12 residues pruned to eliminate duplicates Z: 12 18.732 1.857 0.698 0.899 0.909 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 12 13.637 2.042 1.175 0.386 0.727 0.636 CB 1.436 12 residues pruned to eliminate duplicates Z: 56 28.783 1.963 0.833 0.471 0.927 0.600 CB 1.198 50 residues pruned to eliminate duplicates Z: 14 25.338 1.813 0.872 0.884 1.000 0.769 CA 1.496 14 residues pruned to eliminate duplicates Z: 16 28.431 1.942 0.985 0.894 1.000 0.800 CB 1.366 16 residues pruned to eliminate duplicates Z: 13 28.659 1.935 1.124 0.912 1.000 0.917 CB 1.426 13 residues pruned to eliminate duplicates Z: 38 31.730 2.072 0.725 0.536 0.919 0.676 CB 1.534 38 residues pruned to eliminate duplicates Z: 15 26.138 1.945 0.927 0.904 0.929 0.714 CB 1.430 15 residues pruned to eliminate duplicates Z: 41 34.782 2.028 1.060 0.549 0.900 0.600 CB 1.394 41 residues pruned to eliminate duplicates Z: 27 20.183 1.839 0.767 0.529 0.885 0.500 CB 1.339 27 residues pruned to eliminate duplicates Z: 6 12.816 1.905 0.595 0.870 1.000 1.000 CB 1.377 6 residues pruned to eliminate duplicates Z: 11 22.583 1.881 0.960 0.839 1.000 0.700 CA 1.447 11 residues pruned to eliminate duplicates Z: 23 22.235 1.947 0.711 0.755 0.909 0.818 CB 1.247 23 residues pruned to eliminate duplicates Z: 14 30.646 2.041 0.907 0.915 0.923 0.692 CB 1.672 14 residues pruned to eliminate duplicates Z: 13 28.310 2.016 0.964 0.923 1.000 0.917 CA 1.450 13 residues pruned to eliminate duplicates Z: 14 20.322 1.879 1.023 0.607 0.846 0.692 N 1.583 14 residues pruned to eliminate duplicates Z: 54 38.022 2.021 0.900 0.579 0.887 0.736 CB 1.421 22 residues pruned to eliminate duplicates Z: 14 18.757 1.846 0.767 0.920 0.923 0.846 CB 1.217 14 residues pruned to eliminate duplicates Z: 19 24.414 1.857 0.878 0.896 0.944 0.944 CB 1.252 19 residues pruned to eliminate duplicates Z: 12 18.334 2.024 1.221 0.823 0.818 0.545 CB 1.136 12 residues pruned to eliminate duplicates Z: 18 17.946 2.023 0.671 0.502 0.824 0.412 CB 1.561 13 residues pruned to eliminate duplicates Z: 11 6.830 1.761 0.589 0.578 1.000 0.900 CB 0.716 11 residues pruned to eliminate duplicates Z: 17 26.202 1.968 0.969 0.931 0.938 0.938 CB 1.259 17 residues pruned to eliminate duplicates Z: 18 24.179 1.958 0.729 0.887 0.941 0.882 CB 1.327 18 residues pruned to eliminate duplicates Z: 13 24.382 1.740 0.957 0.891 1.000 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 13 30.385 1.909 1.097 0.925 1.000 1.000 CB 1.537 13 residues pruned to eliminate duplicates Z: 51 28.946 1.978 0.804 0.514 0.860 0.700 CB 1.315 51 residues pruned to eliminate duplicates Z: 21 22.268 1.976 0.714 0.833 0.900 0.850 CB 1.226 21 residues pruned to eliminate duplicates Z: 34 26.649 1.906 0.781 0.563 0.909 0.636 CB 1.415 39 residues pruned to eliminate duplicates Z: 61 47.614 2.061 1.000 0.608 0.900 0.667 CB 1.496 61 residues pruned to eliminate duplicates Z: 20 23.400 1.935 0.783 0.801 0.895 0.737 CB 1.336 20 residues pruned to eliminate duplicates Z: 92 49.235 2.029 0.876 0.529 0.934 0.681 CB 1.410 91 residues pruned to eliminate duplicates Z: 57 35.142 1.900 0.841 0.608 0.929 0.661 CB 1.305 57 residues pruned to eliminate duplicates Z: 8 4.476 1.785 0.513 0.472 0.857 0.714 CB 0.752 Z: 14 30.627 2.024 1.001 0.864 1.000 0.769 CB 1.537 14 residues pruned to eliminate duplicates Z: 21 23.161 1.900 0.678 0.785 0.900 0.650 CB 1.405 21 residues pruned to eliminate duplicates Z: 11 16.069 1.939 0.662 0.872 0.900 0.800 CB 1.277 11 residues pruned to eliminate duplicates Z: 18 33.344 2.006 0.820 0.928 1.000 0.882 CB 1.551 18 residues pruned to eliminate duplicates Z: 19 33.879 1.949 1.155 0.928 0.944 0.444 CB 1.410 19 residues pruned to eliminate duplicates Z: 15 18.618 1.841 0.655 0.924 1.000 1.000 CB 1.147 15 residues pruned to eliminate duplicates Z: 13 24.538 2.077 0.941 0.911 0.917 0.833 CB 1.358 13 residues pruned to eliminate duplicates Z: 9 8.684 1.722 1.105 0.447 0.750 0.625 CB 1.192 9 residues pruned to eliminate duplicates Z: 12 30.024 2.198 0.871 0.732 1.000 0.727 CA 1.787 12 residues pruned to eliminate duplicates Z: 30 21.772 1.921 0.766 0.615 0.897 0.724 CB 1.192 32 residues pruned to eliminate duplicates Z: 12 16.804 1.863 1.245 0.711 0.727 0.545 CB 1.375 12 residues pruned to eliminate duplicates Z: 23 14.099 1.586 0.751 0.633 0.773 0.409 N 1.236 23 residues pruned to eliminate duplicates Z: 37 14.649 1.857 0.706 0.267 0.806 0.528 CB 1.248 37 residues pruned to eliminate duplicates Z: 13 32.311 1.904 1.291 0.940 1.000 0.917 CB 1.485 13 residues pruned to eliminate duplicates Z: 14 26.609 2.015 0.524 0.931 1.000 0.923 CB 1.680 14 residues pruned to eliminate duplicates Z: 21 27.394 2.018 0.831 0.798 0.950 0.750 CB 1.344 21 residues pruned to eliminate duplicates Z: 18 22.953 1.904 1.091 0.791 0.941 0.294 CB 1.151 18 residues pruned to eliminate duplicates Z: 20 23.422 1.645 0.857 0.873 1.000 0.789 CB 1.280 20 residues pruned to eliminate duplicates Z: 14 22.593 1.790 0.720 0.877 1.000 1.000 CB 1.477 14 residues pruned to eliminate duplicates Z: 9 10.351 1.807 0.698 0.717 0.875 0.750 CB 1.120 Z: 23 22.989 1.939 0.980 0.729 0.864 0.636 CB 1.202 23 residues pruned to eliminate duplicates Z: 13 24.454 1.823 0.873 0.938 1.000 1.000 CA 1.437 13 residues pruned to eliminate duplicates Z: 6 13.965 1.809 0.686 0.835 1.000 0.600 CA 1.534 6 residues pruned to eliminate duplicates Z: 19 22.200 1.932 0.711 0.737 0.944 0.667 CB 1.355 19 residues pruned to eliminate duplicates Z: 12 22.297 1.926 0.841 0.915 0.909 0.909 CB 1.474 12 residues pruned to eliminate duplicates Z: 20 26.895 1.931 0.913 0.862 0.947 0.789 CB 1.294 20 residues pruned to eliminate duplicates Z: 16 22.453 1.842 0.992 0.809 0.933 0.733 CB 1.293 16 residues pruned to eliminate duplicates Z: 10 9.770 1.830 0.723 0.476 0.778 0.667 CB 1.360 Z: 10 6.010 1.677 0.889 0.382 0.667 0.556 N 1.076 Z: 36 18.088 1.841 0.547 0.474 0.829 0.486 CB 1.330 36 residues pruned to eliminate duplicates Z: 35 21.914 1.904 0.828 0.464 0.882 0.618 CB 1.269 35 residues pruned to eliminate duplicates Z: 13 22.809 1.957 0.758 0.907 0.917 0.833 CB 1.484 13 residues pruned to eliminate duplicates Z: 18 30.960 1.955 1.142 0.919 1.000 0.647 CB 1.264 19 residues pruned to eliminate duplicates Z: 14 20.365 2.089 0.664 0.672 1.000 0.846 CB 1.386 14 residues pruned to eliminate duplicates Z: 49 30.166 1.995 0.849 0.535 0.854 0.708 CB 1.335 49 residues pruned to eliminate duplicates Z: 22 24.514 1.978 0.851 0.803 0.905 0.667 CB 1.239 22 residues pruned to eliminate duplicates Z: 43 19.304 1.801 0.699 0.398 0.833 0.452 CB 1.300 44 residues pruned to eliminate duplicates Z: 15 23.425 1.940 0.604 0.906 0.929 0.857 CB 1.541 15 residues pruned to eliminate duplicates Z: 22 24.386 1.976 0.650 0.785 0.952 0.619 CB 1.334 22 residues pruned to eliminate duplicates Z: 17 20.187 1.817 0.564 0.836 0.938 0.750 CB 1.418 17 residues pruned to eliminate duplicates Z: 19 32.892 1.966 1.049 0.924 1.000 0.722 CB 1.351 19 residues pruned to eliminate duplicates Z: 13 28.681 2.071 0.581 0.927 1.000 0.917 CB 1.772 13 residues pruned to eliminate duplicates Z: 19 32.574 1.987 1.004 0.896 0.944 0.667 CB 1.462 19 residues pruned to eliminate duplicates Z: 23 26.464 1.985 0.812 0.780 0.955 0.636 CB 1.284 23 residues pruned to eliminate duplicates Z: 24 24.324 1.856 0.669 0.794 0.957 0.870 CB 1.322 24 residues pruned to eliminate duplicates Z: 12 18.792 1.855 0.649 0.924 1.000 1.000 CA 1.301 12 residues pruned to eliminate duplicates Z: 13 23.959 1.820 0.833 0.934 1.000 1.000 CA 1.446 13 residues pruned to eliminate duplicates Z: 14 16.698 2.041 0.827 0.633 0.923 0.923 CB 1.188 14 residues pruned to eliminate duplicates Z: 14 11.795 1.966 0.740 0.440 0.846 0.692 CB 1.202 14 residues pruned to eliminate duplicates Z: 12 19.009 1.996 0.988 0.768 0.818 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 18 28.482 2.065 0.941 0.600 0.941 0.588 CB 1.665 18 residues pruned to eliminate duplicates Z: 14 21.957 1.880 0.769 0.866 0.923 0.769 CB 1.452 14 residues pruned to eliminate duplicates Z: 12 17.234 1.772 0.747 0.853 0.909 0.636 CA 1.365 12 residues pruned to eliminate duplicates Z: 18 30.132 2.094 0.908 0.745 1.000 0.765 CB 1.469 18 residues pruned to eliminate duplicates Z: 7 6.219 1.787 0.778 0.704 0.833 0.500 CB 0.797 Z: 23 31.991 1.936 0.907 0.849 1.000 0.682 CB 1.369 23 residues pruned to eliminate duplicates Z: 13 29.234 1.910 1.329 0.886 1.000 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 19 32.647 1.948 0.875 0.940 1.000 0.889 CB 1.463 19 residues pruned to eliminate duplicates Z: 22 27.394 1.993 1.074 0.772 0.905 0.619 CB 1.257 22 residues pruned to eliminate duplicates Z: 19 30.716 1.946 0.935 0.890 1.000 0.889 CB 1.384 19 residues pruned to eliminate duplicates Z: 16 16.999 1.843 0.724 0.706 0.733 0.467 CB 1.562 16 residues pruned to eliminate duplicates Z: 15 17.020 1.820 0.435 0.917 1.000 0.929 CB 1.229 15 residues pruned to eliminate duplicates Z: 14 16.054 1.852 0.515 0.886 0.923 0.846 CB 1.240 14 residues pruned to eliminate duplicates Z: 14 24.407 1.764 0.868 0.838 1.000 0.846 N 1.536 14 residues pruned to eliminate duplicates Z: 11 23.097 1.967 0.766 0.890 1.000 0.700 CB 1.513 12 residues pruned to eliminate duplicates Z: 42 21.468 1.936 0.830 0.406 0.829 0.585 CB 1.260 42 residues pruned to eliminate duplicates Z: 16 28.774 1.922 1.059 0.864 0.933 0.733 CB 1.475 16 residues pruned to eliminate duplicates Z: 6 8.259 1.749 0.763 0.540 0.800 0.400 CB 1.440 6 residues pruned to eliminate duplicates Z: 6 13.080 1.951 0.928 0.737 1.000 0.800 CB 1.258 Z: 18 26.105 1.769 1.053 0.772 0.941 0.706 CB 1.456 18 residues pruned to eliminate duplicates Z: 15 19.574 1.814 0.903 0.729 0.857 0.571 CB 1.439 15 residues pruned to eliminate duplicates Z: 9 5.730 1.733 0.807 0.416 0.750 0.500 CB 0.942 9 residues pruned to eliminate duplicates Z: 12 17.492 1.937 0.354 0.910 1.000 0.909 CB 1.426 12 residues pruned to eliminate duplicates Z: 14 16.919 1.871 0.523 0.855 0.923 0.769 CB 1.317 14 residues pruned to eliminate duplicates Z: 14 28.180 1.830 1.116 0.937 1.000 0.769 CB 1.405 14 residues pruned to eliminate duplicates Z: 14 22.103 2.013 0.478 0.901 0.923 0.846 CB 1.593 14 residues pruned to eliminate duplicates Z: 54 40.375 2.013 0.907 0.604 0.925 0.623 CB 1.415 53 residues pruned to eliminate duplicates Z: 12 17.631 1.801 1.180 0.728 0.818 0.455 N 1.348 12 residues pruned to eliminate duplicates Z: 55 36.164 1.986 0.955 0.546 0.907 0.593 CB 1.335 55 residues pruned to eliminate duplicates Z: 14 27.782 1.934 1.139 0.921 0.923 0.846 CB 1.421 14 residues pruned to eliminate duplicates Z: 22 28.089 1.926 0.732 0.849 0.952 0.905 CB 1.430 22 residues pruned to eliminate duplicates Z: 7 4.497 1.121 1.068 0.734 1.000 0.500 N 0.641 7 residues pruned to eliminate duplicates Z: 23 22.379 1.861 0.535 0.808 0.955 0.682 CB 1.338 23 residues pruned to eliminate duplicates Z: 51 33.000 1.967 0.795 0.591 0.880 0.680 CB 1.377 51 residues pruned to eliminate duplicates Z: 10 6.141 1.707 0.596 0.355 0.778 0.556 CB 1.130 10 residues pruned to eliminate duplicates Z: 33 22.416 1.908 0.786 0.413 0.875 0.500 CB 1.456 33 residues pruned to eliminate duplicates Z: 18 26.419 1.962 1.223 0.895 0.941 0.706 CB 1.118 18 residues pruned to eliminate duplicates Z: 13 20.938 1.781 0.951 0.810 1.000 0.917 CB 1.327 13 residues pruned to eliminate duplicates Z: 12 5.587 1.812 0.379 0.363 0.727 0.455 CB 1.075 6 residues pruned to eliminate duplicates Z: 9 11.191 1.731 1.014 0.621 0.875 0.625 CB 1.157 9 residues pruned to eliminate duplicates Z: 20 21.122 1.792 0.867 0.693 0.842 0.526 CB 1.441 24 residues pruned to eliminate duplicates Z: 22 31.931 1.989 0.805 0.857 1.000 0.762 CB 1.431 22 residues pruned to eliminate duplicates Z: 31 29.010 1.982 0.723 0.616 0.967 0.767 CB 1.438 31 residues pruned to eliminate duplicates Z: 27 23.738 1.891 0.780 0.633 1.000 0.731 CB 1.220 27 residues pruned to eliminate duplicates Z: 23 26.004 1.949 0.976 0.762 0.864 0.682 CB 1.321 23 residues pruned to eliminate duplicates Z: 30 27.093 1.913 0.955 0.599 0.862 0.724 CB 1.420 30 residues pruned to eliminate duplicates Z: 15 13.959 1.721 0.797 0.765 0.857 0.643 CB 1.113 15 residues pruned to eliminate duplicates Z: 20 28.866 1.968 0.935 0.676 0.947 0.947 CB 1.561 20 residues pruned to eliminate duplicates Z: 14 23.355 1.928 0.959 0.886 0.923 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 15 11.607 1.862 0.798 0.278 0.786 0.429 CB 1.516 15 residues pruned to eliminate duplicates Z: 14 20.191 1.872 0.577 0.827 0.923 0.692 CB 1.548 14 residues pruned to eliminate duplicates Z: 37 23.028 2.010 0.667 0.583 0.833 0.694 CB 1.269 32 residues pruned to eliminate duplicates Z: 12 21.391 1.849 0.744 0.925 1.000 0.909 CB 1.404 12 residues pruned to eliminate duplicates Z: 13 30.855 2.104 0.883 0.907 1.000 0.750 CA 1.598 13 residues pruned to eliminate duplicates Z: 7 5.410 1.622 0.533 0.509 1.000 0.833 CB 0.881 Z: 6 5.561 1.605 0.644 0.517 1.000 0.600 CB 0.927 6 residues pruned to eliminate duplicates Z: 36 33.893 1.977 0.832 0.683 0.943 0.686 CB 1.418 39 residues pruned to eliminate duplicates Z: 23 21.001 1.941 0.773 0.569 0.955 0.727 CB 1.274 23 residues pruned to eliminate duplicates Z: 38 27.880 2.021 0.636 0.622 0.865 0.730 CB 1.430 38 residues pruned to eliminate duplicates Z: 15 17.987 1.884 0.604 0.849 0.929 0.857 CB 1.270 15 residues pruned to eliminate duplicates Z: 13 13.247 1.921 0.968 0.672 0.750 0.667 CB 1.150 13 residues pruned to eliminate duplicates Z: 15 18.108 1.784 0.588 0.891 1.000 0.786 CB 1.229 15 residues pruned to eliminate duplicates Z: 21 13.549 1.955 0.769 0.365 0.800 0.500 CB 1.266 21 residues pruned to eliminate duplicates Z: 12 18.972 1.859 0.703 0.839 1.000 0.727 CB 1.349 12 residues pruned to eliminate duplicates Z: 11 15.689 1.869 0.678 0.779 0.800 0.800 CB 1.546 11 residues pruned to eliminate duplicates Z: 11 28.292 2.093 1.075 0.773 1.000 0.700 CA 1.618 11 residues pruned to eliminate duplicates Z: 12 21.651 1.846 0.844 0.810 0.909 0.636 CA 1.610 17 residues pruned to eliminate duplicates Z: 7 12.890 1.736 0.647 0.826 1.000 0.833 N 1.388 6 residues pruned to eliminate duplicates Z: 16 32.352 2.155 0.917 0.721 0.933 0.667 CB 1.774 17 residues pruned to eliminate duplicates Z: 17 11.203 1.651 0.421 0.669 0.938 0.562 CB 1.089 17 residues pruned to eliminate duplicates Z: 21 18.760 1.715 0.829 0.688 0.900 0.650 CB 1.251 21 residues pruned to eliminate duplicates Z: 21 35.596 1.920 1.116 0.831 1.000 0.600 CB 1.473 21 residues pruned to eliminate duplicates Z: 18 18.874 1.928 1.104 0.620 1.000 0.647 CB 1.008 18 residues pruned to eliminate duplicates Z: 9 7.351 1.667 0.641 0.686 0.750 0.375 N 1.068 9 residues pruned to eliminate duplicates Z: 12 23.832 1.929 0.852 0.925 1.000 0.909 CB 1.411 12 residues pruned to eliminate duplicates Z: 32 22.966 1.964 0.768 0.491 0.871 0.645 CB 1.376 32 residues pruned to eliminate duplicates Z: 32 21.602 1.938 0.587 0.575 0.871 0.774 CB 1.348 32 residues pruned to eliminate duplicates Z: 10 17.522 2.041 0.381 0.850 0.889 0.889 CB 1.727 10 residues pruned to eliminate duplicates Z: 21 9.895 1.867 0.466 0.366 0.900 0.550 CB 1.037 21 residues pruned to eliminate duplicates Z: 11 9.833 1.771 0.871 0.490 0.900 0.800 CB 1.053 11 residues pruned to eliminate duplicates Z: 14 29.923 1.941 1.225 0.906 0.923 0.692 CB 1.481 14 residues pruned to eliminate duplicates Z: 13 20.107 1.921 0.711 0.926 1.000 0.917 CB 1.238 13 residues pruned to eliminate duplicates Z: 20 26.405 1.924 0.761 0.838 1.000 0.947 CB 1.336 20 residues pruned to eliminate duplicates Z: 41 34.460 1.990 0.962 0.645 0.925 0.725 CB 1.317 31 residues pruned to eliminate duplicates Z: 7 4.965 1.669 0.871 0.308 0.667 0.667 CB 1.206 Z: 13 11.588 1.920 0.426 0.729 0.917 0.833 CB 1.084 13 residues pruned to eliminate duplicates Z: 18 25.652 1.901 0.932 0.909 1.000 0.824 CB 1.202 18 residues pruned to eliminate duplicates Z: 70 39.975 2.000 0.783 0.518 0.899 0.609 CB 1.475 77 residues pruned to eliminate duplicates Z: 14 16.547 1.902 0.760 0.895 1.000 0.923 CB 0.983 14 residues pruned to eliminate duplicates Z: 22 15.755 1.910 0.865 0.350 0.857 0.476 CB 1.325 22 residues pruned to eliminate duplicates Z: 9 10.996 1.576 0.865 0.796 0.875 0.750 CB 1.167 9 residues pruned to eliminate duplicates Z: 36 36.782 1.999 1.064 0.684 0.943 0.714 CB 1.350 37 residues pruned to eliminate duplicates Z: 13 20.580 1.899 0.669 0.921 1.000 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 6 6.031 1.660 0.904 0.435 0.800 0.600 CB 1.141 Z: 20 15.198 1.760 0.659 0.404 0.895 0.737 CB 1.476 20 residues pruned to eliminate duplicates Z: 19 28.061 1.939 0.801 0.900 0.944 0.889 CB 1.432 19 residues pruned to eliminate duplicates Z: 13 17.897 1.831 0.842 0.704 0.917 0.667 CB 1.388 10 residues pruned to eliminate duplicates Z: 14 4.951 1.732 0.522 0.200 0.692 0.385 CB 1.075 Z: 27 25.839 1.969 0.691 0.626 0.962 0.769 CB 1.406 27 residues pruned to eliminate duplicates Z: 28 32.384 2.048 0.955 0.640 0.889 0.630 CB 1.536 28 residues pruned to eliminate duplicates Z: 13 20.833 1.909 1.040 0.829 0.833 0.750 CB 1.394 13 residues pruned to eliminate duplicates Z: 19 13.441 1.964 0.533 0.429 0.944 0.667 CB 1.200 19 residues pruned to eliminate duplicates Z: 16 13.128 1.666 0.639 0.738 0.933 0.667 CB 1.074 16 residues pruned to eliminate duplicates Z: 21 25.235 1.991 0.746 0.830 0.950 0.800 CB 1.285 21 residues pruned to eliminate duplicates Z: 22 25.162 1.923 0.803 0.815 0.952 0.714 CB 1.264 22 residues pruned to eliminate duplicates Z: 7 9.332 1.625 0.762 0.862 0.833 0.667 CA 1.172 7 residues pruned to eliminate duplicates Z: 9 16.399 1.836 0.704 0.771 1.000 0.625 CA 1.458 9 residues pruned to eliminate duplicates Z: 14 3.378 1.638 0.285 0.197 0.615 0.385 CB 1.037 Z: 8 5.797 1.524 1.084 0.300 0.714 0.286 N 1.207 Z: 11 5.450 1.694 0.723 0.286 0.700 0.700 CB 1.074 11 residues pruned to eliminate duplicates Z: 13 21.137 1.831 0.580 0.937 1.000 1.000 CA 1.468 13 residues pruned to eliminate duplicates Z: 17 15.640 1.858 0.723 0.563 0.750 0.438 N 1.532 17 residues pruned to eliminate duplicates Z: 16 38.068 2.125 1.157 0.710 1.000 0.667 CB 1.773 16 residues pruned to eliminate duplicates Z: 20 27.453 1.942 0.891 0.907 0.947 0.842 CB 1.286 20 residues pruned to eliminate duplicates Z: 13 17.471 1.810 0.748 0.774 0.917 0.667 CA 1.365 13 residues pruned to eliminate duplicates Z: 19 30.859 1.890 1.131 0.920 1.000 0.611 CB 1.272 19 residues pruned to eliminate duplicates Z: 16 22.378 1.890 0.663 0.851 0.933 0.733 CB 1.458 16 residues pruned to eliminate duplicates Z: 12 12.916 1.866 0.917 0.500 0.909 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 20 8.157 1.694 0.331 0.416 0.789 0.526 CB 1.148 20 residues pruned to eliminate duplicates Z: 18 19.856 1.784 0.775 0.739 0.882 0.765 CB 1.392 18 residues pruned to eliminate duplicates Z: 7 18.121 1.906 1.072 0.668 1.000 0.500 N 1.604 7 residues pruned to eliminate duplicates Z: 67 39.147 1.910 0.862 0.553 0.955 0.636 CB 1.348 67 residues pruned to eliminate duplicates Z: 15 19.533 1.865 0.766 0.889 0.929 0.786 CB 1.229 15 residues pruned to eliminate duplicates Z: 7 11.545 1.854 0.711 0.741 0.833 0.667 CB 1.438 7 residues pruned to eliminate duplicates Z: 10 5.532 1.623 0.588 0.365 0.778 0.556 CB 1.064 Z: 22 25.145 1.965 0.944 0.681 0.905 0.667 CB 1.344 22 residues pruned to eliminate duplicates Z: 51 43.501 1.941 0.920 0.696 0.940 0.660 CB 1.468 57 residues pruned to eliminate duplicates Z: 14 27.592 1.935 1.140 0.925 0.923 0.923 CB 1.405 14 residues pruned to eliminate duplicates Z: 13 11.694 1.819 0.454 0.770 0.917 0.667 CB 1.097 13 residues pruned to eliminate duplicates Z: 11 24.960 2.060 0.879 0.930 1.000 1.000 CB 1.426 11 residues pruned to eliminate duplicates Z: 12 14.541 1.842 0.510 0.881 1.000 0.818 CB 1.142 12 residues pruned to eliminate duplicates Z: 7 8.185 1.888 0.556 0.517 1.000 0.833 CB 1.118 7 residues pruned to eliminate duplicates Z: 17 12.424 1.792 0.482 0.367 1.000 0.500 CB 1.349 17 residues pruned to eliminate duplicates Z: 12 10.770 1.829 0.891 0.523 0.909 0.727 CB 1.009 12 residues pruned to eliminate duplicates Z: 30 23.613 1.958 0.804 0.535 0.862 0.724 CB 1.392 30 residues pruned to eliminate duplicates Z: 40 35.762 2.010 1.003 0.497 0.974 0.718 CB 1.464 40 residues pruned to eliminate duplicates Z: 23 27.653 1.945 0.879 0.812 0.909 0.727 CB 1.353 23 residues pruned to eliminate duplicates Z: 45 30.681 1.874 0.889 0.612 0.909 0.545 CB 1.292 45 residues pruned to eliminate duplicates Z: 9 3.898 1.548 0.596 0.275 0.750 0.375 CB 0.959 Z: 54 37.445 1.913 0.763 0.641 0.925 0.623 CB 1.445 54 residues pruned to eliminate duplicates Z: 10 10.535 1.539 0.898 0.719 1.000 0.556 CB 0.987 Z: 7 3.589 1.682 0.341 0.801 0.833 0.833 CB 0.599 Z: 13 23.054 1.855 0.965 0.849 0.917 0.667 CA 1.477 13 residues pruned to eliminate duplicates Z: 26 15.523 1.840 0.666 0.473 0.920 0.640 CB 1.132 26 residues pruned to eliminate duplicates Z: 23 20.742 1.937 0.842 0.526 0.909 0.545 CB 1.329 23 residues pruned to eliminate duplicates Z: 64 37.769 1.997 0.835 0.498 0.937 0.762 CB 1.389 64 residues pruned to eliminate duplicates Z: 55 32.309 1.950 0.711 0.558 0.889 0.667 CB 1.401 55 residues pruned to eliminate duplicates Z: 14 19.769 2.004 0.857 0.693 0.923 0.692 CB 1.339 25 residues pruned to eliminate duplicates Z: 8 2.018 1.475 0.239 0.350 0.714 0.571 CB 0.688 Z: 27 17.838 1.791 0.786 0.478 0.846 0.654 CB 1.322 27 residues pruned to eliminate duplicates Z: 23 22.787 1.829 1.156 0.565 0.864 0.455 CB 1.340 22 residues pruned to eliminate duplicates Z: 63 48.070 2.015 1.129 0.609 0.935 0.581 CB 1.372 63 residues pruned to eliminate duplicates Z: 6 6.491 1.879 0.423 0.650 0.600 0.600 CB 1.574 6 residues pruned to eliminate duplicates Z: 14 23.583 1.870 1.203 0.849 0.846 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 12 15.412 1.853 0.741 0.633 1.000 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 7 7.502 1.684 0.985 0.834 0.667 0.667 CB 1.030 7 residues pruned to eliminate duplicates Z: 13 17.066 1.932 0.785 0.532 0.917 0.667 CB 1.510 13 residues pruned to eliminate duplicates Z: 22 25.701 1.959 0.852 0.853 0.952 0.667 CB 1.200 22 residues pruned to eliminate duplicates Z: 12 24.210 1.877 0.883 0.832 1.000 0.727 CB 1.551 12 residues pruned to eliminate duplicates Z: 14 19.900 1.901 0.764 0.880 0.923 0.846 CB 1.292 14 residues pruned to eliminate duplicates Z: 21 17.150 1.941 0.761 0.608 0.850 0.650 CB 1.192 21 residues pruned to eliminate duplicates Z: 11 5.072 1.725 0.434 0.246 0.800 0.400 CB 1.086 11 residues pruned to eliminate duplicates Z: 12 21.865 2.044 0.665 0.886 1.000 0.818 CB 1.398 12 residues pruned to eliminate duplicates Z: 11 21.927 1.854 0.884 0.865 1.000 0.900 CA 1.454 11 residues pruned to eliminate duplicates Z: 66 33.205 1.892 0.834 0.542 0.877 0.615 CB 1.299 57 residues pruned to eliminate duplicates Z: 7 2.185 1.729 0.161 0.565 0.500 0.500 CB 0.834 Z: 6 6.393 1.597 0.982 0.299 0.800 0.600 CB 1.413 6 residues pruned to eliminate duplicates Z: 27 26.469 1.833 1.123 0.730 0.885 0.615 CB 1.226 27 residues pruned to eliminate duplicates Z: 15 16.897 1.884 0.634 0.790 0.857 0.786 CB 1.327 15 residues pruned to eliminate duplicates Z: 46 22.299 1.959 0.774 0.470 0.800 0.600 CB 1.232 46 residues pruned to eliminate duplicates Z: 11 21.479 1.936 0.548 0.904 1.000 1.000 CB 1.614 11 residues pruned to eliminate duplicates Z: 46 39.481 2.007 1.115 0.513 0.911 0.556 CB 1.503 46 residues pruned to eliminate duplicates Z: 11 11.786 1.663 0.715 0.677 0.900 0.600 CB 1.234 11 residues pruned to eliminate duplicates Z: 20 33.353 1.974 1.195 0.837 1.000 0.632 CB 1.321 20 residues pruned to eliminate duplicates Z: 13 16.954 1.858 0.659 0.629 1.000 0.750 CB 1.406 13 residues pruned to eliminate duplicates Z: 30 26.650 1.970 0.877 0.539 0.931 0.724 CB 1.383 30 residues pruned to eliminate duplicates Z: 7 12.890 1.614 0.867 0.826 1.000 0.500 CA 1.317 7 residues pruned to eliminate duplicates Z: 7 3.626 1.569 0.682 0.278 0.833 0.500 CB 0.865 Z: 8 5.622 1.456 0.579 0.666 0.857 0.571 N 0.926 Z: 41 30.616 1.885 0.642 0.648 0.925 0.600 CB 1.473 41 residues pruned to eliminate duplicates Z: 12 13.612 1.678 0.762 0.830 0.909 0.455 N 1.148 12 residues pruned to eliminate duplicates Z: 13 13.646 1.771 0.469 0.912 1.000 0.917 CB 1.072 13 residues pruned to eliminate duplicates Z: 11 29.112 2.123 1.386 0.905 0.900 0.600 CB 1.437 11 residues pruned to eliminate duplicates 6 1.583 1.452 0.623 0.347 0.600 0.400 CB 0.591 ? Z: 13 6.016 1.597 0.869 0.320 0.667 0.333 CB 1.064 8 residues pruned to eliminate duplicates Z: 28 15.531 1.856 0.761 0.333 0.889 0.630 CB 1.235 28 residues pruned to eliminate duplicates Z: 14 24.603 1.907 0.937 0.808 0.923 0.692 CB 1.531 14 residues pruned to eliminate duplicates Z: 21 15.500 1.881 0.928 0.335 0.950 0.400 CB 1.205 21 residues pruned to eliminate duplicates Z: 64 33.942 1.963 0.745 0.471 0.952 0.714 CB 1.350 64 residues pruned to eliminate duplicates Z: 18 23.854 1.955 1.508 0.841 0.882 0.471 CB 0.997 18 residues pruned to eliminate duplicates Z: 13 26.221 1.950 1.037 0.857 1.000 0.833 CB 1.404 13 residues pruned to eliminate duplicates Z: 6 7.139 1.778 0.744 0.597 0.800 0.600 CB 1.173 5 residues pruned to eliminate duplicates Z: 6 8.566 1.707 1.054 0.637 0.800 0.800 CB 1.201 Z: 11 14.015 1.913 0.296 0.918 1.000 1.000 CB 1.261 11 residues pruned to eliminate duplicates Z: 51 44.420 2.024 1.132 0.668 0.900 0.540 CB 1.385 47 residues pruned to eliminate duplicates Z: 14 8.298 1.652 0.667 0.232 0.846 0.385 N 1.350 14 residues pruned to eliminate duplicates Z: 7 5.411 1.872 0.445 0.448 0.667 0.667 CB 1.293 Z: 9 10.641 1.787 0.648 0.762 0.750 0.625 CB 1.350 9 residues pruned to eliminate duplicates Z: 10 5.400 1.875 0.452 0.338 0.889 0.556 CB 0.888 10 residues pruned to eliminate duplicates Z: 6 5.168 1.845 0.336 0.584 0.600 0.400 CB 1.441 6 residues pruned to eliminate duplicates Z: 36 27.158 1.907 0.659 0.588 0.914 0.743 CB 1.459 36 residues pruned to eliminate duplicates Z: 18 32.136 2.086 1.001 0.788 0.882 0.529 CB 1.643 18 residues pruned to eliminate duplicates Z: 15 23.433 1.929 0.833 0.899 0.929 0.786 CB 1.364 15 residues pruned to eliminate duplicates Z: 42 31.149 2.005 0.924 0.448 0.976 0.732 CB 1.364 42 residues pruned to eliminate duplicates Z: 38 29.619 1.726 0.880 0.737 0.919 0.568 CB 1.320 38 residues pruned to eliminate duplicates Z: 31 31.835 1.934 0.858 0.684 0.967 0.867 CB 1.413 31 residues pruned to eliminate duplicates Z: 6 2.555 1.798 1.240 0.854 1.000 1.000 CB 0.210 Z: 11 6.700 1.705 0.615 0.232 0.800 0.500 N 1.313 Z: 6 3.339 1.362 0.671 0.351 0.800 0.400 CB 0.964 Z: 19 33.579 2.078 0.924 0.735 0.944 0.667 CB 1.696 19 residues pruned to eliminate duplicates Z: 18 18.501 1.939 0.564 0.659 1.000 0.941 CB 1.277 18 residues pruned to eliminate duplicates Z: 9 5.172 1.838 0.666 0.769 0.875 0.750 CB 0.538 Z: 9 11.661 1.662 0.847 0.699 0.875 0.625 CB 1.280 9 residues pruned to eliminate duplicates Z: 6 6.964 1.848 0.548 0.245 1.000 0.600 O 1.461 6 residues pruned to eliminate duplicates Z: 6 3.037 1.642 0.187 0.343 0.800 0.200 CB 1.032 Z: 9 7.017 1.592 0.432 0.840 0.750 0.625 CB 1.083 9 residues pruned to eliminate duplicates Z: 10 15.812 1.841 0.701 0.868 1.000 0.556 CB 1.230 10 residues pruned to eliminate duplicates Z: 9 4.831 1.559 1.043 0.312 0.625 0.500 N 1.057 Z: 14 5.294 1.626 0.489 0.545 0.769 0.308 CB 0.754 Z: 12 7.823 1.874 0.755 0.349 0.909 0.545 CB 0.929 12 residues pruned to eliminate duplicates Z: 8 7.986 1.550 0.673 0.530 0.857 0.571 CB 1.318 8 residues pruned to eliminate duplicates Z: 39 24.844 1.891 0.825 0.540 0.895 0.658 CB 1.255 39 residues pruned to eliminate duplicates Z: 9 6.402 1.538 0.808 0.346 0.750 0.375 CB 1.282 9 residues pruned to eliminate duplicates Z: 9 6.130 1.657 0.576 0.477 0.750 0.625 CB 1.132 9 residues pruned to eliminate duplicates Z: 8 7.409 1.486 0.758 0.655 0.857 0.714 CB 1.083 8 residues pruned to eliminate duplicates Z: 9 20.102 1.877 0.941 0.783 1.000 1.000 CB 1.521 9 residues pruned to eliminate duplicates Z: 22 14.804 1.799 0.900 0.497 0.857 0.619 CB 1.106 22 residues pruned to eliminate duplicates Z: 11 16.733 1.939 0.531 0.833 1.000 0.700 CB 1.338 11 residues pruned to eliminate duplicates Z: 21 32.674 1.944 1.046 0.816 1.000 0.800 CB 1.396 21 residues pruned to eliminate duplicates Z: 12 22.879 2.041 0.864 0.823 0.909 0.818 CB 1.508 12 residues pruned to eliminate duplicates Z: 32 21.021 1.866 0.886 0.379 0.903 0.548 CB 1.352 32 residues pruned to eliminate duplicates Z: 12 23.805 1.766 0.984 0.860 1.000 0.818 CB 1.506 12 residues pruned to eliminate duplicates Z: 19 28.569 1.949 0.775 0.916 1.000 0.889 CB 1.374 19 residues pruned to eliminate duplicates Z: 7 2.727 1.256 0.981 0.620 0.667 0.500 N 0.599 Z: 8 5.284 1.452 0.143 0.666 1.000 0.714 CB 1.032 Z: 6 4.160 1.404 0.276 0.581 0.800 0.400 CA 1.201 Z: 12 6.909 1.581 0.519 0.459 0.818 0.455 CB 1.106 Z: 11 10.776 1.763 0.540 0.762 0.800 0.700 CB 1.243 11 residues pruned to eliminate duplicates Z: 13 10.180 1.686 0.798 0.380 0.833 0.417 CB 1.321 13 residues pruned to eliminate duplicates Z: 8 3.538 1.325 0.389 0.541 0.857 0.429 CB 0.814 Z: 15 5.647 1.659 0.552 0.390 0.857 0.571 CB 0.768 Z: 10 5.984 1.683 0.913 0.839 1.000 0.778 CB 0.463 Z: 6 3.512 1.616 0.149 0.541 1.000 0.800 CB 0.812 Z: 13 16.181 1.823 0.548 0.855 0.917 0.833 CB 1.333 13 residues pruned to eliminate duplicates Z: 10 9.086 1.603 0.742 0.564 0.889 0.556 CB 1.147 Z: 10 7.607 1.873 0.709 0.303 0.667 0.556 CB 1.479 11 residues pruned to eliminate duplicates Z: 6 5.882 1.810 0.347 0.623 0.800 0.600 N 1.200 6 residues pruned to eliminate duplicates Z: 17 15.425 1.873 0.850 0.501 0.750 0.500 CB 1.483 17 residues pruned to eliminate duplicates Z: 6 3.113 1.553 0.759 0.300 0.600 0.400 CB 1.062 Z: 6 6.131 1.641 0.600 0.295 1.000 0.800 CA 1.315 Z: 14 16.324 1.848 0.545 0.864 0.846 0.846 CB 1.374 14 residues pruned to eliminate duplicates Z: 7 4.166 1.618 0.303 0.519 0.833 0.833 CB 0.950 Z: 6 3.270 1.496 1.303 0.147 0.600 0.200 CB 1.094 Z: 31 30.100 1.913 0.719 0.642 0.967 0.700 CB 1.513 31 residues pruned to eliminate duplicates Z: 22 34.524 2.146 0.907 0.645 0.952 0.857 CB 1.688 22 residues pruned to eliminate duplicates Z: 19 23.957 1.925 0.902 0.696 0.944 0.778 CB 1.365 19 residues pruned to eliminate duplicates Z: 47 31.097 2.034 0.773 0.444 0.870 0.543 CB 1.549 47 residues pruned to eliminate duplicates Z: 10 9.110 1.641 0.501 0.623 0.889 0.667 CA 1.235 10 residues pruned to eliminate duplicates Z: 21 9.964 1.836 0.739 0.404 0.750 0.550 CB 1.029 27 residues pruned to eliminate duplicates Z: 13 14.018 1.861 0.398 0.834 0.917 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 6 3.297 1.515 0.593 0.843 0.600 0.400 CB 0.758 Z: 56 36.442 1.975 0.930 0.554 0.909 0.527 CB 1.346 56 residues pruned to eliminate duplicates Z: 38 39.972 2.025 1.021 0.671 0.919 0.622 CB 1.492 38 residues pruned to eliminate duplicates Z: 10 4.693 1.624 1.005 0.274 0.667 0.556 CB 0.931 Z: 8 8.069 1.958 0.332 0.294 1.000 0.571 CB 1.473 8 residues pruned to eliminate duplicates Z: 6 3.941 1.175 0.810 0.559 1.000 0.600 C 0.782 Z: 12 12.183 1.813 0.496 0.824 1.000 0.727 CB 1.023 12 residues pruned to eliminate duplicates Z: 10 13.112 1.754 0.750 0.730 0.889 0.333 CB 1.303 10 residues pruned to eliminate duplicates Z: 7 2.539 1.187 0.674 0.661 0.833 0.667 O 0.540 488 residues left after pruning, divided into chains as follows: A: 194 B: 52 C: 189 D: 53 CC for partial structure against native data = 44.05 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.685, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.804, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.961, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.994, Connect. = 0.804 for dens.mod. cycle 4 = 0.300, Contrast = 1.016, Connect. = 0.805 for dens.mod. cycle 5 = 0.300, Contrast = 1.022, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 1.028, Connect. = 0.807 for dens.mod. cycle 7 = 0.300, Contrast = 1.027, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 1.026, Connect. = 0.807 for dens.mod. cycle 9 = 0.300, Contrast = 1.022, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2252 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 517 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 30.380 2.151 1.136 0.881 1.000 0.636 CB 1.444 B: 14 22.252 2.145 0.761 0.651 0.923 0.538 CB 1.537 C: 20 22.956 2.039 0.639 0.765 0.842 0.632 CB 1.478 15 residues pruned to eliminate duplicates D: 15 21.402 1.851 0.734 0.821 0.929 0.714 CB 1.454 E: 12 16.253 1.768 0.603 0.802 0.909 0.818 CB 1.461 F: 15 25.312 1.980 0.694 0.912 0.929 0.786 CB 1.538 G: 49 43.724 2.126 0.973 0.573 0.917 0.625 CB 1.530 12 residues pruned to eliminate duplicates H: 12 24.012 1.858 0.798 0.838 1.000 0.818 CB 1.620 12 residues pruned to eliminate duplicates I: 69 43.447 2.063 0.914 0.542 0.926 0.588 CB 1.382 49 residues pruned to eliminate duplicates J: 13 24.806 2.054 1.042 0.784 0.917 0.667 CB 1.450 13 residues pruned to eliminate duplicates K: 44 23.128 1.982 0.715 0.388 0.884 0.581 CB 1.322 L: 12 25.148 2.190 0.829 0.846 0.909 0.727 CB 1.547 12 residues pruned to eliminate duplicates M: 18 32.498 2.050 0.894 0.934 1.000 0.882 CB 1.416 N: 16 17.376 1.958 0.844 0.507 0.800 0.400 CB 1.542 16 residues pruned to eliminate duplicates O: 14 26.583 1.936 0.947 0.787 1.000 0.615 CA 1.519 P: 12 32.751 2.264 1.013 0.899 1.000 0.818 CB 1.549 12 residues pruned to eliminate duplicates Q: 15 20.011 1.994 0.657 0.712 0.857 0.643 CB 1.559 14 residues pruned to eliminate duplicates R: 24 29.748 1.948 0.956 0.809 0.957 0.696 CB 1.300 S: 36 31.636 2.132 0.742 0.558 0.829 0.543 CB 1.643 36 residues pruned to eliminate duplicates T: 16 11.208 1.869 0.719 0.391 0.800 0.467 CB 1.264 16 residues pruned to eliminate duplicates U: 13 19.039 1.925 0.438 0.859 1.000 0.667 CB 1.461 13 residues pruned to eliminate duplicates V: 18 24.369 2.019 0.633 0.904 1.000 0.765 CB 1.277 14 residues pruned to eliminate duplicates W: 47 26.273 2.031 0.647 0.428 0.957 0.630 CB 1.305 15 residues pruned to eliminate duplicates X: 8 10.563 1.850 0.729 0.775 0.857 0.714 CB 1.142 8 residues pruned to eliminate duplicates Y: 14 23.250 1.874 0.718 0.886 0.923 0.923 CB 1.566 14 residues pruned to eliminate duplicates Z: 13 28.645 2.090 0.851 0.905 1.000 0.917 CA 1.521 13 residues pruned to eliminate duplicates Z: 37 27.897 1.987 0.719 0.685 0.972 0.778 CB 1.181 Z: 16 18.782 1.974 0.262 0.881 0.933 0.867 CB 1.510 16 residues pruned to eliminate duplicates Z: 12 25.946 2.142 0.796 0.833 0.909 0.818 CB 1.678 12 residues pruned to eliminate duplicates Z: 19 10.696 1.768 0.768 0.410 0.722 0.500 CB 1.227 Z: 16 27.857 2.035 1.180 0.822 0.867 0.667 CB 1.415 16 residues pruned to eliminate duplicates Z: 22 25.387 2.031 0.903 0.623 0.905 0.619 CB 1.411 22 residues pruned to eliminate duplicates Z: 12 25.970 1.920 0.754 0.877 1.000 0.909 CB 1.688 11 residues pruned to eliminate duplicates Z: 20 19.223 2.033 0.464 0.717 1.000 0.842 CB 1.217 17 residues pruned to eliminate duplicates Z: 77 40.850 2.045 0.900 0.497 0.895 0.500 CB 1.352 68 residues pruned to eliminate duplicates Z: 8 9.960 1.657 0.676 0.750 0.857 0.714 CA 1.266 Z: 11 15.435 1.970 0.253 0.864 1.000 0.800 CB 1.450 Z: 6 7.237 1.781 0.513 0.722 1.000 1.000 CB 0.983 6 residues pruned to eliminate duplicates Z: 9 13.727 2.031 0.850 0.584 0.875 0.625 CB 1.362 10 residues pruned to eliminate duplicates Z: 19 9.184 1.796 0.549 0.409 0.778 0.389 CB 1.101 19 residues pruned to eliminate duplicates Z: 14 32.936 2.120 1.032 0.903 0.923 0.769 CB 1.637 15 residues pruned to eliminate duplicates Z: 27 15.817 2.005 0.601 0.318 0.885 0.615 CB 1.335 28 residues pruned to eliminate duplicates Z: 12 18.691 1.814 0.494 0.829 1.000 0.818 CB 1.565 12 residues pruned to eliminate duplicates Z: 10 7.300 1.844 0.886 0.291 0.667 0.444 CB 1.327 Z: 15 24.171 1.768 0.903 0.922 1.000 0.929 CB 1.350 15 residues pruned to eliminate duplicates Z: 23 20.470 1.971 0.543 0.788 0.909 0.773 CB 1.225 Z: 11 19.431 2.145 0.720 0.771 0.700 0.600 N 1.872 11 residues pruned to eliminate duplicates Z: 19 30.465 1.896 0.942 0.909 0.944 0.889 CB 1.466 18 residues pruned to eliminate duplicates Z: 45 30.354 2.073 0.846 0.468 0.932 0.659 CB 1.326 47 residues pruned to eliminate duplicates Z: 26 18.698 1.915 0.765 0.446 0.920 0.480 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 24.990 1.853 1.043 0.812 1.000 0.833 N 1.452 13 residues pruned to eliminate duplicates Z: 15 26.287 1.999 0.859 0.903 0.929 0.786 CB 1.451 15 residues pruned to eliminate duplicates Z: 15 26.305 2.004 0.741 0.921 0.929 0.786 CB 1.527 15 residues pruned to eliminate duplicates Z: 31 18.790 1.975 0.558 0.605 0.833 0.567 CB 1.211 32 residues pruned to eliminate duplicates Z: 38 31.742 2.074 0.669 0.591 0.946 0.676 CB 1.461 21 residues pruned to eliminate duplicates Z: 21 21.129 2.010 0.407 0.790 0.900 0.650 CB 1.439 21 residues pruned to eliminate duplicates Z: 14 28.706 2.058 0.639 0.918 1.000 1.000 CB 1.665 14 residues pruned to eliminate duplicates Z: 22 27.486 1.762 0.823 0.868 0.952 0.762 CB 1.433 22 residues pruned to eliminate duplicates Z: 85 35.377 2.058 0.764 0.452 0.833 0.595 CB 1.340 87 residues pruned to eliminate duplicates Z: 11 22.381 1.942 0.772 0.891 1.000 0.900 CB 1.479 11 residues pruned to eliminate duplicates Z: 14 23.780 1.886 0.773 0.919 1.000 0.923 CB 1.389 14 residues pruned to eliminate duplicates Z: 51 37.540 1.974 0.845 0.662 0.940 0.640 CB 1.335 18 residues pruned to eliminate duplicates Z: 15 28.803 2.084 0.746 0.886 1.000 0.929 CB 1.527 15 residues pruned to eliminate duplicates Z: 22 25.791 2.016 0.933 0.570 0.952 0.571 CB 1.417 22 residues pruned to eliminate duplicates Z: 13 17.411 1.815 0.811 0.618 0.833 0.667 O 1.641 13 residues pruned to eliminate duplicates Z: 55 37.477 2.046 0.780 0.574 0.944 0.630 CB 1.381 37 residues pruned to eliminate duplicates Z: 18 31.625 2.049 0.997 0.936 1.000 0.882 CB 1.305 18 residues pruned to eliminate duplicates Z: 10 23.046 2.060 0.894 0.874 0.889 0.778 CB 1.612 10 residues pruned to eliminate duplicates Z: 9 4.246 1.661 0.729 0.528 0.625 0.625 CB 0.814 Z: 14 27.987 1.999 0.926 0.900 1.000 0.846 CB 1.440 14 residues pruned to eliminate duplicates Z: 18 32.883 2.019 1.095 0.934 1.000 0.765 CB 1.315 17 residues pruned to eliminate duplicates Z: 19 29.302 2.006 0.710 0.902 1.000 0.944 CB 1.436 20 residues pruned to eliminate duplicates Z: 107 57.415 2.084 0.886 0.556 0.925 0.604 CB 1.453 98 residues pruned to eliminate duplicates Z: 18 35.474 2.060 0.873 0.947 1.000 0.941 CB 1.541 18 residues pruned to eliminate duplicates Z: 20 29.112 1.948 0.803 0.870 1.000 0.842 CB 1.388 19 residues pruned to eliminate duplicates Z: 56 28.344 1.888 0.851 0.586 0.873 0.527 CB 1.154 56 residues pruned to eliminate duplicates Z: 14 36.082 2.195 1.000 0.941 1.000 1.000 CB 1.582 14 residues pruned to eliminate duplicates Z: 14 13.713 1.864 0.649 0.440 0.846 0.385 CB 1.556 19 residues pruned to eliminate duplicates Z: 70 43.255 2.100 0.720 0.545 0.957 0.710 CB 1.442 70 residues pruned to eliminate duplicates Z: 42 38.012 2.062 0.718 0.701 0.976 0.780 CB 1.431 46 residues pruned to eliminate duplicates Z: 12 29.417 2.129 1.068 0.862 1.000 0.636 CB 1.478 12 residues pruned to eliminate duplicates Z: 24 18.403 1.903 0.633 0.565 0.870 0.652 CB 1.332 24 residues pruned to eliminate duplicates Z: 13 19.426 1.970 0.866 0.906 0.917 0.500 CB 1.184 13 residues pruned to eliminate duplicates Z: 13 23.001 1.979 0.755 0.813 0.917 0.583 CB 1.589 13 residues pruned to eliminate duplicates Z: 20 22.539 1.930 0.781 0.849 0.895 0.789 CB 1.247 20 residues pruned to eliminate duplicates Z: 21 24.314 1.840 0.433 0.904 1.000 0.900 CB 1.469 21 residues pruned to eliminate duplicates Z: 14 32.670 2.162 0.947 0.931 1.000 0.923 CB 1.504 14 residues pruned to eliminate duplicates Z: 12 20.724 2.131 0.473 0.918 1.000 0.818 CB 1.403 12 residues pruned to eliminate duplicates Z: 13 24.079 1.967 0.988 0.897 0.917 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 133 62.075 2.106 0.916 0.520 0.909 0.576 CB 1.444 132 residues pruned to eliminate duplicates Z: 10 16.748 1.985 0.695 0.853 0.889 0.778 CA 1.380 10 residues pruned to eliminate duplicates Z: 14 21.307 1.825 0.916 0.806 0.923 0.615 CA 1.401 14 residues pruned to eliminate duplicates Z: 14 20.394 1.958 0.766 0.918 1.000 0.923 CB 1.154 Z: 12 27.656 2.164 0.868 0.888 1.000 0.818 CB 1.487 12 residues pruned to eliminate duplicates Z: 15 29.050 1.998 1.051 0.908 0.929 0.643 CB 1.450 15 residues pruned to eliminate duplicates Z: 13 25.074 1.845 0.834 0.939 1.000 0.917 CA 1.487 13 residues pruned to eliminate duplicates Z: 22 25.762 2.019 0.603 0.816 0.952 0.762 CB 1.386 22 residues pruned to eliminate duplicates Z: 18 35.103 2.064 1.069 0.906 1.000 0.941 CB 1.417 20 residues pruned to eliminate duplicates Z: 15 21.893 1.779 0.782 0.819 0.929 0.714 N 1.506 15 residues pruned to eliminate duplicates Z: 12 6.509 1.817 0.332 0.384 0.818 0.636 CB 1.122 Z: 15 23.087 1.924 0.745 0.906 1.000 0.929 CB 1.307 14 residues pruned to eliminate duplicates Z: 7 9.888 1.848 0.788 0.774 0.833 0.667 CB 1.151 Z: 88 47.873 2.109 0.746 0.559 0.943 0.713 CB 1.396 88 residues pruned to eliminate duplicates Z: 13 28.072 2.055 1.200 0.829 0.833 0.750 CB 1.619 13 residues pruned to eliminate duplicates Z: 12 22.911 2.038 0.852 0.924 1.000 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 19 25.307 2.000 0.453 0.934 1.000 1.000 CB 1.431 19 residues pruned to eliminate duplicates Z: 13 15.879 1.730 0.459 0.906 0.917 0.833 CB 1.409 13 residues pruned to eliminate duplicates Z: 70 44.262 2.117 0.777 0.577 0.913 0.638 CB 1.440 70 residues pruned to eliminate duplicates Z: 7 6.094 1.911 0.320 0.541 0.667 0.333 CA 1.421 Z: 19 27.670 1.909 1.140 0.881 0.944 0.889 CB 1.224 19 residues pruned to eliminate duplicates Z: 129 60.143 2.118 0.870 0.522 0.906 0.672 CB 1.450 129 residues pruned to eliminate duplicates Z: 29 22.901 1.997 0.510 0.686 0.857 0.643 CB 1.413 29 residues pruned to eliminate duplicates Z: 15 24.544 2.012 0.950 0.855 0.857 0.714 CB 1.440 15 residues pruned to eliminate duplicates Z: 10 22.764 2.164 0.611 0.912 1.000 0.889 CB 1.541 10 residues pruned to eliminate duplicates Z: 13 19.284 1.845 0.668 0.829 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 10 18.406 1.980 0.572 0.822 1.000 0.667 CB 1.491 10 residues pruned to eliminate duplicates Z: 12 13.490 2.009 0.813 0.521 0.909 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 6 4.223 1.670 0.832 0.449 0.800 0.400 N 0.813 Z: 38 33.901 2.081 0.807 0.639 0.919 0.703 CB 1.415 38 residues pruned to eliminate duplicates Z: 48 41.580 2.111 0.878 0.617 0.894 0.723 CB 1.533 48 residues pruned to eliminate duplicates Z: 43 28.477 1.977 0.878 0.454 0.905 0.619 CB 1.371 43 residues pruned to eliminate duplicates Z: 21 22.913 1.985 0.631 0.770 0.950 0.650 CB 1.311 21 residues pruned to eliminate duplicates Z: 7 10.885 1.900 0.687 0.617 0.833 0.667 CB 1.490 Z: 14 21.387 1.928 0.730 0.885 0.923 0.846 CB 1.391 14 residues pruned to eliminate duplicates Z: 18 21.956 1.853 0.753 0.782 0.941 0.824 CB 1.358 23 residues pruned to eliminate duplicates Z: 38 19.675 2.004 0.725 0.293 0.865 0.514 CB 1.364 38 residues pruned to eliminate duplicates Z: 8 4.341 1.812 0.509 0.398 0.714 0.429 CB 0.936 Z: 16 28.618 1.932 1.050 0.916 0.933 0.733 CB 1.412 16 residues pruned to eliminate duplicates Z: 13 21.366 1.985 0.696 0.805 0.917 0.750 CB 1.531 13 residues pruned to eliminate duplicates Z: 12 21.186 2.074 0.874 0.779 0.909 0.727 CB 1.414 12 residues pruned to eliminate duplicates Z: 14 20.556 1.910 0.790 0.851 0.923 0.615 CB 1.337 14 residues pruned to eliminate duplicates Z: 6 8.291 1.774 0.627 0.629 1.000 0.800 CB 1.138 6 residues pruned to eliminate duplicates Z: 11 2.311 1.625 0.297 0.117 0.900 0.300 CB 0.625 Z: 56 31.946 2.022 0.722 0.554 0.927 0.600 CB 1.265 56 residues pruned to eliminate duplicates Z: 11 29.867 2.114 0.929 0.841 1.000 0.400 CA 1.728 11 residues pruned to eliminate duplicates Z: 9 12.671 1.948 0.192 0.853 1.000 0.625 CB 1.426 9 residues pruned to eliminate duplicates Z: 16 29.047 2.063 0.737 0.881 1.000 0.933 CB 1.516 16 residues pruned to eliminate duplicates Z: 11 22.689 2.140 1.075 0.749 0.800 0.400 CB 1.618 11 residues pruned to eliminate duplicates Z: 19 30.805 2.001 0.907 0.874 1.000 0.833 CB 1.384 18 residues pruned to eliminate duplicates Z: 10 11.122 1.881 0.827 0.577 0.667 0.667 CB 1.502 Z: 20 14.665 1.794 0.572 0.719 0.737 0.421 CB 1.328 20 residues pruned to eliminate duplicates Z: 22 26.076 1.992 0.760 0.835 0.952 0.667 CB 1.277 22 residues pruned to eliminate duplicates Z: 7 10.634 1.660 0.757 0.771 1.000 0.500 CB 1.171 Z: 13 28.937 2.093 1.015 0.855 1.000 0.833 CB 1.462 13 residues pruned to eliminate duplicates Z: 11 30.648 2.301 0.911 0.868 1.000 0.900 CB 1.612 11 residues pruned to eliminate duplicates Z: 23 21.998 1.887 0.477 0.862 0.955 0.818 CB 1.294 23 residues pruned to eliminate duplicates Z: 55 33.287 1.958 0.770 0.583 0.926 0.537 CB 1.303 50 residues pruned to eliminate duplicates Z: 15 22.879 1.804 1.174 0.853 0.929 0.929 CB 1.241 15 residues pruned to eliminate duplicates Z: 6 12.773 1.928 0.541 0.855 1.000 1.000 CB 1.419 6 residues pruned to eliminate duplicates Z: 14 12.842 1.832 0.480 0.536 0.923 0.538 CB 1.374 14 residues pruned to eliminate duplicates Z: 6 6.077 1.625 1.456 0.282 0.800 0.400 N 1.089 Z: 15 19.131 1.872 0.546 0.911 1.000 1.000 CB 1.251 15 residues pruned to eliminate duplicates Z: 12 20.573 1.905 0.602 0.906 1.000 0.909 CB 1.446 12 residues pruned to eliminate duplicates Z: 17 28.482 1.854 1.112 0.891 1.000 0.562 CB 1.307 17 residues pruned to eliminate duplicates Z: 13 19.431 2.019 0.617 0.896 0.917 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 12 13.114 1.838 0.309 0.739 0.909 0.727 CA 1.459 12 residues pruned to eliminate duplicates Z: 21 19.722 2.016 0.619 0.549 0.900 0.650 CB 1.431 21 residues pruned to eliminate duplicates Z: 71 34.381 2.013 0.830 0.570 0.800 0.414 CB 1.303 71 residues pruned to eliminate duplicates Z: 15 19.975 1.918 0.853 0.889 0.857 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 14 15.140 1.858 0.606 0.743 0.846 0.692 CB 1.337 14 residues pruned to eliminate duplicates Z: 14 18.993 1.970 0.520 0.855 0.923 0.846 CB 1.406 14 residues pruned to eliminate duplicates Z: 15 28.510 2.033 0.665 0.930 1.000 1.000 CB 1.574 15 residues pruned to eliminate duplicates Z: 17 11.785 1.847 0.393 0.427 0.938 0.500 CB 1.317 18 residues pruned to eliminate duplicates Z: 8 13.663 1.769 0.825 0.790 0.857 0.571 CB 1.446 8 residues pruned to eliminate duplicates Z: 56 24.946 1.933 0.707 0.410 0.891 0.655 CB 1.257 56 residues pruned to eliminate duplicates Z: 14 19.767 1.963 0.628 0.878 0.923 0.769 CB 1.349 14 residues pruned to eliminate duplicates Z: 80 51.237 2.113 0.972 0.515 0.911 0.620 CB 1.495 80 residues pruned to eliminate duplicates Z: 54 47.090 2.062 0.977 0.664 0.981 0.642 CB 1.390 45 residues pruned to eliminate duplicates Z: 37 39.607 2.119 1.018 0.619 0.889 0.667 CB 1.552 17 residues pruned to eliminate duplicates Z: 27 16.207 1.990 0.461 0.531 0.846 0.769 CB 1.253 27 residues pruned to eliminate duplicates Z: 20 22.593 2.040 0.655 0.694 1.000 0.895 CB 1.286 20 residues pruned to eliminate duplicates Z: 14 20.910 1.849 0.844 0.903 1.000 0.692 CB 1.212 14 residues pruned to eliminate duplicates Z: 13 20.683 2.049 0.356 0.907 1.000 1.000 CB 1.527 13 residues pruned to eliminate duplicates Z: 9 11.176 1.553 0.583 0.779 1.000 0.875 CA 1.257 9 residues pruned to eliminate duplicates Z: 19 15.550 1.980 0.909 0.462 0.667 0.444 CB 1.512 19 residues pruned to eliminate duplicates Z: 22 18.979 1.930 0.284 0.807 0.952 0.714 CB 1.343 22 residues pruned to eliminate duplicates Z: 21 23.887 2.018 0.658 0.797 0.900 0.700 CB 1.368 21 residues pruned to eliminate duplicates Z: 6 2.818 1.849 0.297 0.460 0.400 0.200 O 1.369 6 residues pruned to eliminate duplicates Z: 56 28.548 1.951 0.626 0.584 0.909 0.673 CB 1.231 56 residues pruned to eliminate duplicates Z: 22 21.095 2.008 0.680 0.724 0.857 0.571 CB 1.301 22 residues pruned to eliminate duplicates Z: 28 17.954 1.963 0.749 0.324 0.926 0.519 CB 1.318 28 residues pruned to eliminate duplicates Z: 21 25.889 2.021 0.768 0.813 0.950 0.700 CB 1.299 21 residues pruned to eliminate duplicates Z: 80 40.827 2.031 0.847 0.476 0.886 0.468 CB 1.416 80 residues pruned to eliminate duplicates Z: 50 36.314 2.027 0.686 0.626 0.939 0.592 CB 1.436 50 residues pruned to eliminate duplicates Z: 32 20.054 1.948 0.826 0.382 0.903 0.452 CB 1.272 32 residues pruned to eliminate duplicates Z: 11 36.239 2.188 1.205 0.851 1.000 0.700 CB 1.758 19 residues pruned to eliminate duplicates Z: 24 27.671 1.911 0.881 0.815 0.913 0.739 CB 1.337 24 residues pruned to eliminate duplicates Z: 19 30.005 2.034 0.841 0.942 1.000 0.833 CB 1.310 19 residues pruned to eliminate duplicates Z: 15 19.873 1.927 0.847 0.903 0.929 0.786 CB 1.145 15 residues pruned to eliminate duplicates Z: 12 10.564 1.813 0.591 0.450 0.909 0.909 CB 1.278 12 residues pruned to eliminate duplicates Z: 28 14.317 1.919 0.766 0.271 0.889 0.593 CB 1.185 29 residues pruned to eliminate duplicates Z: 22 22.985 2.000 0.655 0.815 0.952 0.762 CB 1.210 22 residues pruned to eliminate duplicates Z: 12 23.617 1.916 0.843 0.887 1.000 0.636 CB 1.454 12 residues pruned to eliminate duplicates Z: 47 23.580 2.025 0.668 0.390 0.913 0.587 CB 1.266 47 residues pruned to eliminate duplicates Z: 11 29.473 2.175 0.935 0.793 1.000 0.700 CA 1.713 11 residues pruned to eliminate duplicates Z: 6 4.211 1.916 0.429 0.424 0.800 0.400 CB 0.930 Z: 15 12.717 1.970 0.706 0.480 0.929 0.500 CB 1.112 14 residues pruned to eliminate duplicates Z: 50 39.361 2.075 0.838 0.641 0.918 0.714 CB 1.407 51 residues pruned to eliminate duplicates Z: 20 19.952 1.737 0.701 0.703 0.947 0.579 CB 1.359 20 residues pruned to eliminate duplicates Z: 14 26.394 1.966 1.215 0.856 0.846 0.462 CB 1.465 14 residues pruned to eliminate duplicates Z: 7 14.505 2.017 0.408 0.897 1.000 1.000 CB 1.493 7 residues pruned to eliminate duplicates Z: 22 32.125 2.011 0.868 0.819 0.952 0.810 CB 1.485 22 residues pruned to eliminate duplicates Z: 12 24.887 2.112 0.684 0.909 1.000 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 8 3.463 1.688 0.839 0.277 0.571 0.429 CB 0.950 Z: 13 29.665 2.049 0.906 0.921 1.000 0.917 CA 1.544 13 residues pruned to eliminate duplicates Z: 19 31.120 2.001 0.742 0.932 1.000 0.833 CB 1.468 19 residues pruned to eliminate duplicates Z: 12 11.624 1.896 0.438 0.746 1.000 0.636 CB 1.032 12 residues pruned to eliminate duplicates Z: 15 27.812 2.037 0.688 0.910 1.000 1.000 CB 1.534 15 residues pruned to eliminate duplicates Z: 22 28.529 2.063 0.698 0.772 1.000 0.667 CB 1.396 22 residues pruned to eliminate duplicates Z: 30 19.463 1.902 0.722 0.499 0.931 0.552 CB 1.187 30 residues pruned to eliminate duplicates Z: 10 10.987 1.662 0.520 0.804 0.889 0.444 N 1.251 10 residues pruned to eliminate duplicates Z: 7 5.693 1.426 0.488 0.729 0.833 0.500 CA 1.069 7 residues pruned to eliminate duplicates Z: 9 11.640 1.800 0.412 0.710 0.875 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 12 14.628 1.805 0.545 0.765 0.818 0.727 O 1.528 12 residues pruned to eliminate duplicates Z: 8 2.381 1.685 0.467 0.146 0.714 0.143 CB 0.790 Z: 26 15.788 1.848 0.558 0.424 0.920 0.600 CB 1.291 30 residues pruned to eliminate duplicates Z: 12 5.586 1.823 0.936 0.799 0.818 0.727 CB 0.449 Z: 15 29.666 1.986 0.967 0.917 1.000 0.643 CB 1.433 15 residues pruned to eliminate duplicates Z: 20 10.800 1.711 0.693 0.448 0.737 0.526 CB 1.225 Z: 13 17.223 1.799 0.653 0.826 0.917 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 42 26.297 2.018 0.717 0.532 0.805 0.756 CB 1.427 42 residues pruned to eliminate duplicates Z: 9 4.437 1.640 0.578 0.379 0.500 0.250 CB 1.379 Z: 16 12.734 1.997 0.549 0.416 0.867 0.667 CB 1.339 16 residues pruned to eliminate duplicates Z: 6 12.214 1.957 0.730 0.679 1.000 1.000 CB 1.369 6 residues pruned to eliminate duplicates Z: 20 31.252 1.994 1.082 0.844 0.947 0.526 CB 1.356 20 residues pruned to eliminate duplicates Z: 80 34.653 2.019 0.619 0.538 0.924 0.684 CB 1.244 78 residues pruned to eliminate duplicates Z: 9 7.779 1.678 0.548 0.737 0.875 0.625 CB 0.979 9 residues pruned to eliminate duplicates Z: 52 34.358 2.029 0.758 0.534 0.941 0.627 CB 1.386 52 residues pruned to eliminate duplicates Z: 12 25.470 1.917 0.896 0.934 1.000 0.818 CB 1.474 12 residues pruned to eliminate duplicates Z: 14 14.866 1.697 0.935 0.764 0.846 0.769 CB 1.175 14 residues pruned to eliminate duplicates Z: 7 4.437 1.679 0.477 0.696 1.000 0.833 CB 0.611 Z: 51 32.092 1.952 0.703 0.602 0.920 0.640 CB 1.347 51 residues pruned to eliminate duplicates Z: 7 6.256 1.570 0.371 0.445 1.000 0.333 CB 1.256 Z: 8 17.342 1.870 0.801 0.849 1.000 0.857 CB 1.443 8 residues pruned to eliminate duplicates Z: 17 15.107 2.006 0.812 0.542 0.750 0.562 CB 1.329 17 residues pruned to eliminate duplicates Z: 14 19.985 1.908 0.826 0.919 1.000 0.923 CB 1.121 14 residues pruned to eliminate duplicates Z: 50 41.963 2.133 0.939 0.567 0.878 0.673 CB 1.547 32 residues pruned to eliminate duplicates Z: 11 15.686 1.860 0.871 0.499 1.000 0.700 CB 1.427 11 residues pruned to eliminate duplicates 7 1.107 1.652 -0.082 0.131 0.667 0.500 CB 0.708 ? Z: 7 2.881 1.611 0.360 0.356 0.500 0.167 CB 1.254 7 residues pruned to eliminate duplicates Z: 15 34.695 2.149 0.970 0.941 1.000 1.000 CB 1.520 15 residues pruned to eliminate duplicates Z: 34 24.831 2.005 0.738 0.618 0.818 0.636 CB 1.357 34 residues pruned to eliminate duplicates Z: 13 20.573 1.808 0.893 0.920 0.917 0.500 N 1.333 13 residues pruned to eliminate duplicates Z: 6 6.293 1.446 0.356 0.770 1.000 0.800 C 1.131 Z: 16 21.599 1.820 0.723 0.906 1.000 0.867 CB 1.265 15 residues pruned to eliminate duplicates Z: 17 20.294 1.740 0.825 0.864 1.000 0.812 CB 1.171 15 residues pruned to eliminate duplicates Z: 10 10.973 1.728 0.635 0.797 0.889 0.444 CB 1.123 10 residues pruned to eliminate duplicates Z: 14 27.411 1.868 1.125 0.903 1.000 0.769 CB 1.365 14 residues pruned to eliminate duplicates Z: 20 26.380 2.068 0.672 0.815 0.947 0.737 CB 1.405 20 residues pruned to eliminate duplicates Z: 20 29.796 1.881 1.129 0.867 0.947 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 12 12.521 1.897 0.775 0.364 0.909 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 6 4.892 1.724 0.256 0.606 0.800 0.400 CB 1.141 Z: 13 27.156 1.918 0.945 0.883 1.000 0.500 N 1.519 13 residues pruned to eliminate duplicates Z: 22 14.282 1.637 0.377 0.745 0.857 0.381 CB 1.296 22 residues pruned to eliminate duplicates Z: 30 12.847 1.800 0.776 0.413 0.759 0.483 CB 1.078 30 residues pruned to eliminate duplicates Z: 7 11.064 1.706 0.880 0.869 0.833 0.667 N 1.234 7 residues pruned to eliminate duplicates Z: 21 31.514 1.973 0.988 0.852 1.000 0.650 CB 1.329 21 residues pruned to eliminate duplicates Z: 80 40.861 2.074 0.819 0.487 0.911 0.620 CB 1.354 80 residues pruned to eliminate duplicates Z: 27 15.043 1.985 0.582 0.301 0.846 0.577 CB 1.387 27 residues pruned to eliminate duplicates Z: 7 20.332 1.948 1.067 0.770 1.000 0.833 N 1.623 7 residues pruned to eliminate duplicates Z: 6 4.943 1.754 0.374 0.454 1.000 0.400 CB 0.962 Z: 13 28.066 1.858 0.961 0.918 1.000 0.917 N 1.569 13 residues pruned to eliminate duplicates Z: 19 24.710 2.108 1.068 0.549 0.833 0.667 CB 1.529 20 residues pruned to eliminate duplicates Z: 50 40.126 2.058 0.843 0.615 0.939 0.571 CB 1.444 50 residues pruned to eliminate duplicates Z: 22 19.213 1.982 0.661 0.730 0.857 0.571 CB 1.208 22 residues pruned to eliminate duplicates Z: 11 5.227 1.678 0.483 0.433 0.700 0.400 CB 1.017 Z: 15 19.412 1.791 1.127 0.830 0.929 0.786 CB 1.103 15 residues pruned to eliminate duplicates Z: 40 31.531 2.057 0.650 0.685 0.846 0.590 CB 1.484 40 residues pruned to eliminate duplicates Z: 23 26.793 1.936 0.869 0.823 0.864 0.727 CB 1.382 23 residues pruned to eliminate duplicates Z: 21 29.262 1.929 0.989 0.874 0.950 0.650 CB 1.306 21 residues pruned to eliminate duplicates Z: 57 27.655 2.012 0.722 0.417 0.946 0.643 CB 1.229 57 residues pruned to eliminate duplicates Z: 18 18.646 1.846 0.428 0.763 0.941 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 6 7.929 1.896 0.436 0.501 0.800 0.400 N 1.627 5 residues pruned to eliminate duplicates Z: 21 24.517 2.042 0.629 0.785 0.950 0.800 CB 1.350 21 residues pruned to eliminate duplicates Z: 10 14.481 1.929 0.543 0.845 1.000 0.778 CB 1.206 10 residues pruned to eliminate duplicates Z: 40 32.398 1.950 0.714 0.646 0.974 0.744 CB 1.391 40 residues pruned to eliminate duplicates Z: 35 34.387 2.101 1.053 0.682 0.941 0.647 CB 1.229 35 residues pruned to eliminate duplicates Z: 13 7.375 1.793 0.219 0.779 1.000 0.667 CB 0.762 Z: 33 22.963 2.014 0.815 0.451 0.938 0.781 CB 1.245 36 residues pruned to eliminate duplicates Z: 74 39.404 1.998 0.722 0.560 0.918 0.685 CB 1.378 74 residues pruned to eliminate duplicates Z: 13 21.312 1.823 0.752 0.899 1.000 0.917 CA 1.376 13 residues pruned to eliminate duplicates Z: 7 3.151 1.749 0.772 0.264 0.500 0.333 CB 1.087 Z: 9 3.492 1.406 0.925 0.062 0.750 0.250 CB 1.081 Z: 11 9.735 1.990 0.398 0.333 0.900 0.400 CB 1.476 11 residues pruned to eliminate duplicates Z: 11 15.785 1.963 1.169 0.779 0.800 0.700 CB 1.145 11 residues pruned to eliminate duplicates Z: 10 12.087 1.847 0.627 0.531 0.889 0.556 CB 1.464 10 residues pruned to eliminate duplicates Z: 17 32.401 1.970 1.215 0.919 1.000 0.562 CB 1.309 17 residues pruned to eliminate duplicates Z: 20 11.740 1.864 0.554 0.402 0.842 0.421 CB 1.223 20 residues pruned to eliminate duplicates Z: 15 15.076 1.775 0.828 0.711 0.857 0.643 CB 1.196 15 residues pruned to eliminate duplicates Z: 7 3.886 1.649 0.640 0.621 0.833 0.500 CB 0.628 7 residues pruned to eliminate duplicates Z: 12 13.033 1.811 0.485 0.819 0.909 0.636 CB 1.219 12 residues pruned to eliminate duplicates Z: 13 16.223 1.917 0.725 0.582 1.000 0.833 CB 1.309 13 residues pruned to eliminate duplicates Z: 23 29.048 1.993 0.790 0.799 0.909 0.818 CB 1.470 23 residues pruned to eliminate duplicates Z: 18 19.373 1.833 0.716 0.725 0.882 0.647 CB 1.382 18 residues pruned to eliminate duplicates Z: 16 24.009 1.961 0.582 0.907 1.000 0.867 CB 1.420 16 residues pruned to eliminate duplicates Z: 25 13.160 1.874 0.645 0.397 0.792 0.542 CB 1.227 25 residues pruned to eliminate duplicates Z: 20 24.845 1.980 0.661 0.785 1.000 0.632 CB 1.348 20 residues pruned to eliminate duplicates Z: 6 3.018 1.773 -0.154 0.612 0.800 0.800 CB 1.012 Z: 48 32.907 2.060 0.823 0.560 0.851 0.617 CB 1.417 48 residues pruned to eliminate duplicates Z: 6 8.863 1.627 0.503 0.799 1.000 0.800 CB 1.248 6 residues pruned to eliminate duplicates Z: 19 29.176 1.956 1.186 0.907 0.889 0.556 CB 1.287 19 residues pruned to eliminate duplicates Z: 74 37.707 2.014 0.650 0.547 0.918 0.603 CB 1.383 74 residues pruned to eliminate duplicates Z: 22 27.010 1.912 0.906 0.801 1.000 0.857 CB 1.243 22 residues pruned to eliminate duplicates Z: 30 14.575 1.903 0.591 0.451 0.862 0.483 CB 1.091 30 residues pruned to eliminate duplicates Z: 43 24.496 2.021 0.664 0.419 0.952 0.667 CB 1.284 43 residues pruned to eliminate duplicates Z: 12 23.878 1.863 0.771 0.878 1.000 0.818 CB 1.584 13 residues pruned to eliminate duplicates Z: 15 18.517 1.926 0.587 0.914 1.000 0.857 CB 1.145 15 residues pruned to eliminate duplicates Z: 19 33.964 1.919 1.002 0.891 1.000 0.389 CB 1.499 19 residues pruned to eliminate duplicates Z: 6 3.885 1.546 0.117 0.640 1.000 0.800 CA 0.882 6 residues pruned to eliminate duplicates Z: 6 11.568 1.847 0.717 0.797 1.000 1.000 CB 1.258 Z: 11 10.288 1.827 0.285 0.805 1.000 0.700 CB 1.062 11 residues pruned to eliminate duplicates Z: 10 6.581 1.705 0.496 0.308 0.778 0.222 CB 1.368 Z: 28 26.814 2.077 0.981 0.546 0.852 0.481 CB 1.408 28 residues pruned to eliminate duplicates Z: 13 13.992 1.788 0.235 0.844 1.000 0.750 CA 1.361 13 residues pruned to eliminate duplicates Z: 49 27.371 2.062 0.700 0.443 0.896 0.667 CB 1.334 49 residues pruned to eliminate duplicates Z: 14 15.134 1.772 0.601 0.769 0.846 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 33 29.772 2.126 0.821 0.510 0.969 0.656 CB 1.390 33 residues pruned to eliminate duplicates Z: 22 19.815 1.889 0.754 0.771 0.905 0.667 CB 1.136 22 residues pruned to eliminate duplicates Z: 13 27.315 2.130 0.915 0.898 1.000 1.000 CB 1.383 13 residues pruned to eliminate duplicates Z: 14 32.077 2.176 0.870 0.923 1.000 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 8 5.745 1.878 0.388 0.519 0.714 0.714 CB 1.145 Z: 54 37.164 2.043 0.750 0.611 0.925 0.642 CB 1.389 54 residues pruned to eliminate duplicates Z: 21 21.795 2.055 0.523 0.638 1.000 0.650 CB 1.369 21 residues pruned to eliminate duplicates Z: 70 34.814 1.913 0.804 0.557 0.928 0.652 CB 1.238 70 residues pruned to eliminate duplicates Z: 44 18.785 1.909 0.526 0.398 0.814 0.558 CB 1.345 44 residues pruned to eliminate duplicates Z: 22 9.136 1.780 0.615 0.405 0.762 0.524 CB 1.006 6 residues pruned to eliminate duplicates Z: 12 20.546 1.824 0.685 0.869 1.000 0.727 CB 1.471 13 residues pruned to eliminate duplicates Z: 31 16.371 1.923 0.642 0.405 0.833 0.633 CB 1.255 31 residues pruned to eliminate duplicates Z: 13 8.097 1.747 0.504 0.725 0.750 0.667 CB 0.968 13 residues pruned to eliminate duplicates Z: 14 26.793 1.971 1.126 0.893 0.923 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 8 17.699 1.977 0.762 0.759 1.000 0.571 CB 1.525 8 residues pruned to eliminate duplicates Z: 8 5.874 1.582 0.838 0.590 0.857 0.571 CB 0.817 Z: 13 8.594 1.760 0.378 0.435 0.833 0.583 CB 1.312 7 residues pruned to eliminate duplicates Z: 29 30.728 1.971 0.764 0.723 1.000 0.714 CB 1.365 29 residues pruned to eliminate duplicates Z: 10 16.114 1.884 0.546 0.789 1.000 0.889 CB 1.430 10 residues pruned to eliminate duplicates Z: 13 15.314 1.858 0.287 0.869 1.000 0.917 CB 1.351 13 residues pruned to eliminate duplicates Z: 6 2.110 1.344 0.469 0.293 0.600 0.400 O 1.004 Z: 7 5.079 1.640 0.508 0.461 0.833 0.333 N 1.047 Z: 11 13.425 1.580 0.910 0.786 1.000 0.700 CB 1.094 11 residues pruned to eliminate duplicates Z: 8 9.259 1.595 0.787 0.595 0.857 0.571 CB 1.308 Z: 53 48.681 2.089 0.999 0.687 0.942 0.615 CB 1.445 53 residues pruned to eliminate duplicates Z: 42 23.654 1.971 0.535 0.545 0.927 0.683 CB 1.261 48 residues pruned to eliminate duplicates Z: 11 16.649 1.788 0.905 0.859 1.000 1.000 CB 1.137 11 residues pruned to eliminate duplicates Z: 19 6.355 1.597 0.959 0.266 0.667 0.278 CB 0.938 Z: 10 9.884 1.722 0.899 0.881 1.000 0.889 CB 0.729 Z: 37 36.018 2.078 1.250 0.594 0.861 0.556 CB 1.362 37 residues pruned to eliminate duplicates Z: 6 2.738 1.842 0.227 0.580 0.600 0.600 CB 0.836 Z: 13 31.470 2.155 1.060 0.905 1.000 0.667 CB 1.457 13 residues pruned to eliminate duplicates Z: 29 16.057 1.828 0.560 0.550 0.750 0.571 CB 1.351 15 residues pruned to eliminate duplicates Z: 11 5.692 1.642 0.500 0.339 0.700 0.600 CB 1.244 Z: 22 23.143 1.908 0.528 0.828 0.905 0.667 CB 1.442 22 residues pruned to eliminate duplicates Z: 24 19.184 1.939 0.677 0.531 0.913 0.609 CB 1.308 13 residues pruned to eliminate duplicates Z: 18 28.400 1.944 1.154 0.863 1.000 0.588 CB 1.207 18 residues pruned to eliminate duplicates Z: 94 49.968 2.041 0.825 0.537 0.925 0.602 CB 1.451 94 residues pruned to eliminate duplicates 7 1.913 1.661 0.191 0.241 0.667 0.333 CB 0.799 ? Z: 6 3.633 1.564 0.648 0.467 0.600 0.400 N 1.086 Z: 21 11.148 1.718 0.786 0.512 0.850 0.450 CB 0.944 7 residues pruned to eliminate duplicates Z: 13 4.400 1.777 0.405 0.284 0.583 0.333 CB 1.112 13 residues pruned to eliminate duplicates Z: 21 12.841 1.930 0.805 0.448 0.850 0.700 CB 1.022 21 residues pruned to eliminate duplicates Z: 133 55.268 2.071 0.820 0.526 0.894 0.614 CB 1.391 133 residues pruned to eliminate duplicates Z: 12 7.426 1.613 0.544 0.389 0.818 0.545 CB 1.237 12 residues pruned to eliminate duplicates Z: 19 23.606 1.968 1.026 0.585 0.889 0.667 CB 1.447 19 residues pruned to eliminate duplicates Z: 7 2.792 1.516 0.364 0.295 0.667 0.500 CB 1.041 Z: 7 6.131 1.546 0.679 0.618 0.833 0.333 N 1.035 Z: 10 2.985 1.466 0.549 0.192 0.667 0.556 CB 0.950 10 residues pruned to eliminate duplicates Z: 30 18.272 1.948 0.848 0.499 0.828 0.724 CB 1.140 30 residues pruned to eliminate duplicates Z: 12 22.208 2.064 1.156 0.825 0.909 0.727 CB 1.249 12 residues pruned to eliminate duplicates Z: 53 39.109 2.037 0.670 0.659 0.942 0.615 CB 1.460 53 residues pruned to eliminate duplicates Z: 17 12.025 1.943 0.763 0.337 0.812 0.500 CB 1.290 17 residues pruned to eliminate duplicates Z: 10 6.827 1.841 0.358 0.506 0.778 0.667 CB 1.164 Z: 30 21.888 1.970 0.540 0.525 0.966 0.690 CB 1.354 30 residues pruned to eliminate duplicates Z: 75 32.345 2.003 0.578 0.514 0.905 0.676 CB 1.296 75 residues pruned to eliminate duplicates Z: 6 3.954 1.692 0.409 0.297 0.800 0.400 N 1.163 Z: 7 7.193 1.628 0.763 0.731 0.833 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 49 27.868 2.009 0.794 0.414 0.917 0.667 CB 1.333 49 residues pruned to eliminate duplicates Z: 13 5.721 1.607 0.294 0.406 0.917 0.417 CB 0.956 13 residues pruned to eliminate duplicates Z: 15 30.337 1.962 0.826 0.934 1.000 0.929 CB 1.578 15 residues pruned to eliminate duplicates Z: 48 21.359 1.935 0.620 0.412 0.894 0.617 CB 1.220 48 residues pruned to eliminate duplicates Z: 10 9.844 1.910 0.355 0.809 1.000 0.556 CB 0.969 10 residues pruned to eliminate duplicates Z: 45 34.593 2.071 0.722 0.602 0.955 0.705 CB 1.391 45 residues pruned to eliminate duplicates Z: 8 9.077 1.513 1.257 0.570 0.857 0.571 N 1.096 8 residues pruned to eliminate duplicates Z: 22 12.628 1.839 0.545 0.408 0.810 0.476 CB 1.319 10 residues pruned to eliminate duplicates Z: 10 3.679 1.558 0.569 0.231 0.778 0.444 CB 0.882 8 1.630 1.537 0.209 0.326 0.714 0.429 CB 0.562 ? Z: 7 6.190 1.786 1.250 0.716 0.833 0.667 CB 0.620 Z: 7 3.553 1.822 0.423 0.774 0.833 0.667 CB 0.527 Z: 105 41.266 1.910 0.688 0.518 0.923 0.615 CB 1.335 121 residues pruned to eliminate duplicates Z: 11 7.912 1.728 0.531 0.675 0.800 0.600 CB 1.006 11 residues pruned to eliminate duplicates Z: 18 21.559 1.832 0.649 0.771 0.941 0.706 CB 1.447 18 residues pruned to eliminate duplicates Z: 7 3.531 1.680 0.258 0.312 0.667 0.500 CB 1.260 Z: 6 2.933 1.238 0.503 0.470 0.800 0.600 N 0.908 Z: 31 27.575 2.082 0.787 0.565 0.867 0.667 CB 1.466 31 residues pruned to eliminate duplicates Z: 26 15.278 2.046 0.510 0.340 0.880 0.680 CB 1.338 26 residues pruned to eliminate duplicates Z: 7 3.149 1.533 1.071 0.232 0.500 0.167 CB 1.107 Z: 11 10.015 1.696 0.499 0.747 0.900 0.600 CB 1.110 11 residues pruned to eliminate duplicates Z: 14 13.217 1.677 0.576 0.513 0.923 0.538 CB 1.484 14 residues pruned to eliminate duplicates Z: 19 15.809 1.799 0.704 0.811 0.833 0.611 CB 1.113 19 residues pruned to eliminate duplicates Z: 11 4.802 1.393 0.532 0.279 0.800 0.400 N 1.142 Z: 25 29.807 2.105 0.800 0.592 0.958 0.625 CB 1.534 25 residues pruned to eliminate duplicates Z: 6 4.029 1.486 0.655 0.405 0.800 0.600 N 1.012 Z: 28 19.097 2.051 0.693 0.306 0.926 0.667 CB 1.419 28 residues pruned to eliminate duplicates Z: 12 2.158 1.484 0.237 0.412 0.636 0.364 CB 0.611 11 residues pruned to eliminate duplicates Z: 20 12.861 1.914 0.240 0.543 0.895 0.579 CB 1.332 20 residues pruned to eliminate duplicates Z: 47 22.621 1.988 0.719 0.409 0.870 0.565 CB 1.235 47 residues pruned to eliminate duplicates Z: 53 26.092 2.003 0.659 0.425 0.923 0.615 CB 1.276 53 residues pruned to eliminate duplicates Z: 6 3.834 1.815 -0.120 0.538 1.000 0.600 CB 1.035 Z: 18 23.819 1.834 1.007 0.773 0.882 0.647 CB 1.397 18 residues pruned to eliminate duplicates Z: 51 29.992 1.852 0.834 0.615 0.860 0.540 CB 1.303 51 residues pruned to eliminate duplicates Z: 7 4.737 1.486 0.659 0.499 1.000 0.500 CB 0.785 Z: 12 4.275 1.492 0.173 0.638 0.909 0.727 CB 0.712 Z: 9 6.945 1.814 0.697 0.611 0.750 0.625 CB 0.958 10 residues pruned to eliminate duplicates Z: 24 12.823 1.887 0.629 0.377 0.870 0.565 CB 1.140 24 residues pruned to eliminate duplicates Z: 33 29.166 1.956 0.691 0.657 0.938 0.594 CB 1.437 33 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 18.923 1.837 0.450 0.850 1.000 0.727 CB 1.587 Z: 11 12.822 1.931 0.404 0.775 1.000 0.800 CB 1.174 11 residues pruned to eliminate duplicates Z: 16 8.635 1.990 0.292 0.569 0.800 0.600 CB 1.014 16 residues pruned to eliminate duplicates Z: 31 19.542 1.966 0.559 0.571 0.900 0.733 CB 1.208 43 residues pruned to eliminate duplicates Z: 22 10.386 1.689 0.681 0.445 0.762 0.381 CB 1.109 Z: 9 9.035 1.824 0.976 0.724 0.625 0.375 CB 1.159 9 residues pruned to eliminate duplicates Z: 10 6.737 1.663 0.856 0.578 0.778 0.111 CB 0.868 10 residues pruned to eliminate duplicates Z: 7 2.772 1.738 0.923 0.629 0.667 0.167 CB 0.450 7 residues pruned to eliminate duplicates Z: 22 14.103 1.929 0.317 0.514 0.905 0.619 CB 1.319 22 residues pruned to eliminate duplicates Z: 25 11.436 1.836 0.413 0.411 0.875 0.708 CB 1.128 25 residues pruned to eliminate duplicates Z: 56 24.314 1.977 0.606 0.434 0.891 0.618 CB 1.241 78 residues pruned to eliminate duplicates Z: 44 26.418 1.980 0.624 0.586 0.907 0.558 CB 1.272 44 residues pruned to eliminate duplicates Z: 29 23.860 1.977 0.531 0.643 0.893 0.821 CB 1.460 29 residues pruned to eliminate duplicates Z: 20 20.907 2.005 0.549 0.692 1.000 0.895 CB 1.296 20 residues pruned to eliminate duplicates Z: 22 17.293 1.978 0.546 0.626 0.905 0.762 CB 1.212 22 residues pruned to eliminate duplicates Z: 21 18.341 1.948 0.617 0.624 0.900 0.850 CB 1.287 21 residues pruned to eliminate duplicates Z: 14 12.102 1.960 0.648 0.527 0.846 0.769 CB 1.195 14 residues pruned to eliminate duplicates Z: 32 17.534 1.953 0.509 0.449 0.871 0.613 CB 1.292 32 residues pruned to eliminate duplicates Z: 51 22.264 1.958 0.704 0.401 0.880 0.620 CB 1.190 51 residues pruned to eliminate duplicates Z: 21 15.913 2.010 0.463 0.596 0.900 0.750 CB 1.227 21 residues pruned to eliminate duplicates Z: 19 20.044 2.041 0.685 0.658 0.944 0.778 CB 1.256 19 residues pruned to eliminate duplicates Z: 29 21.801 2.014 0.541 0.614 0.929 0.714 CB 1.283 29 residues pruned to eliminate duplicates Z: 24 15.105 1.939 0.503 0.592 0.870 0.783 CB 1.139 24 residues pruned to eliminate duplicates Z: 53 24.382 2.010 0.649 0.440 0.865 0.654 CB 1.253 53 residues pruned to eliminate duplicates Z: 50 25.696 1.996 0.724 0.434 0.898 0.714 CB 1.272 50 residues pruned to eliminate duplicates Z: 52 26.622 2.000 0.682 0.458 0.902 0.627 CB 1.282 52 residues pruned to eliminate duplicates Z: 20 25.830 2.059 0.820 0.700 1.000 0.895 CB 1.318 20 residues pruned to eliminate duplicates Z: 17 24.661 2.091 0.841 0.738 1.000 0.938 CB 1.293 17 residues pruned to eliminate duplicates Z: 54 30.179 2.032 0.664 0.485 0.943 0.755 CB 1.319 54 residues pruned to eliminate duplicates Z: 44 31.248 2.038 0.786 0.590 0.953 0.605 CB 1.259 44 residues pruned to eliminate duplicates Z: 30 23.609 2.056 0.750 0.512 0.897 0.655 CB 1.343 30 residues pruned to eliminate duplicates Z: 44 26.844 2.005 0.715 0.553 0.907 0.558 CB 1.247 44 residues pruned to eliminate duplicates Z: 40 22.926 1.947 0.679 0.434 0.923 0.615 CB 1.301 40 residues pruned to eliminate duplicates Z: 41 25.288 2.036 0.706 0.421 0.925 0.625 CB 1.352 41 residues pruned to eliminate duplicates Z: 28 18.355 1.990 0.757 0.319 0.889 0.593 CB 1.388 28 residues pruned to eliminate duplicates Z: 28 17.144 1.993 0.706 0.282 0.852 0.630 CB 1.457 28 residues pruned to eliminate duplicates Z: 46 23.022 1.976 0.692 0.403 0.867 0.644 CB 1.312 46 residues pruned to eliminate duplicates Z: 46 25.741 2.029 0.753 0.436 0.911 0.622 CB 1.265 46 residues pruned to eliminate duplicates Z: 47 25.096 2.039 0.698 0.404 0.913 0.674 CB 1.295 47 residues pruned to eliminate duplicates Z: 38 24.527 2.018 0.669 0.518 0.946 0.622 CB 1.243 38 residues pruned to eliminate duplicates Z: 35 22.502 1.955 0.622 0.466 0.941 0.647 CB 1.338 35 residues pruned to eliminate duplicates Z: 28 15.933 1.993 0.663 0.346 0.852 0.556 CB 1.284 28 residues pruned to eliminate duplicates Z: 28 16.003 1.959 0.729 0.312 0.815 0.593 CB 1.375 28 residues pruned to eliminate duplicates Z: 56 26.329 2.006 0.660 0.487 0.909 0.582 CB 1.188 56 residues pruned to eliminate duplicates Z: 29 20.110 1.982 0.740 0.321 0.929 0.750 CB 1.445 29 residues pruned to eliminate duplicates Z: 33 16.130 1.930 0.609 0.276 0.906 0.500 CB 1.305 33 residues pruned to eliminate duplicates Z: 47 25.431 1.999 0.801 0.394 0.848 0.630 CB 1.374 47 residues pruned to eliminate duplicates Z: 43 22.363 2.036 0.614 0.372 0.881 0.643 CB 1.366 43 residues pruned to eliminate duplicates Z: 14 10.413 1.923 0.595 0.236 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 11 8.968 2.018 0.577 0.226 0.900 0.600 CB 1.364 11 residues pruned to eliminate duplicates Z: 56 26.256 1.992 0.665 0.431 0.873 0.582 CB 1.313 56 residues pruned to eliminate duplicates Z: 47 20.415 1.957 0.666 0.341 0.870 0.543 CB 1.263 47 residues pruned to eliminate duplicates Z: 45 27.350 2.042 0.805 0.456 0.932 0.568 CB 1.256 45 residues pruned to eliminate duplicates Z: 28 18.745 2.008 0.728 0.314 0.926 0.593 CB 1.379 28 residues pruned to eliminate duplicates Z: 71 31.750 2.005 0.653 0.498 0.914 0.600 CB 1.254 71 residues pruned to eliminate duplicates Z: 66 37.586 2.043 0.699 0.521 0.969 0.754 CB 1.358 66 residues pruned to eliminate duplicates Z: 10 6.913 1.649 0.650 0.647 0.889 0.778 CB 0.831 10 residues pruned to eliminate duplicates Z: 23 25.815 2.059 0.673 0.669 0.955 0.818 CB 1.431 23 residues pruned to eliminate duplicates Z: 7 15.677 1.941 0.866 0.718 1.000 0.500 CB 1.450 7 residues pruned to eliminate duplicates Z: 33 22.196 2.047 0.802 0.461 0.906 0.781 CB 1.222 33 residues pruned to eliminate duplicates Z: 23 21.307 2.071 0.559 0.607 0.909 0.682 CB 1.399 23 residues pruned to eliminate duplicates Z: 21 25.372 2.092 0.628 0.658 1.000 0.900 CB 1.438 21 residues pruned to eliminate duplicates Z: 70 31.515 2.034 0.594 0.488 0.899 0.710 CB 1.318 70 residues pruned to eliminate duplicates Z: 50 29.127 2.044 0.695 0.442 0.918 0.673 CB 1.388 50 residues pruned to eliminate duplicates Z: 76 37.396 2.061 0.720 0.516 0.907 0.707 CB 1.323 75 residues pruned to eliminate duplicates Z: 14 19.258 1.956 0.553 0.891 1.000 0.923 CB 1.265 14 residues pruned to eliminate duplicates Z: 48 27.835 2.048 0.655 0.437 0.936 0.745 CB 1.365 48 residues pruned to eliminate duplicates Z: 77 37.706 2.022 0.710 0.530 0.921 0.684 CB 1.319 77 residues pruned to eliminate duplicates Z: 51 27.159 2.023 0.684 0.431 0.880 0.660 CB 1.376 51 residues pruned to eliminate duplicates Z: 63 36.283 2.043 0.741 0.482 0.952 0.677 CB 1.386 63 residues pruned to eliminate duplicates Z: 31 21.152 2.053 0.508 0.527 0.900 0.767 CB 1.350 31 residues pruned to eliminate duplicates Z: 83 38.831 2.012 0.758 0.503 0.939 0.683 CB 1.288 97 residues pruned to eliminate duplicates Z: 14 17.853 2.005 0.397 0.866 0.846 0.846 CB 1.529 14 residues pruned to eliminate duplicates Z: 70 35.268 2.039 0.684 0.509 0.928 0.754 CB 1.321 70 residues pruned to eliminate duplicates Z: 68 32.567 2.043 0.671 0.495 0.925 0.716 CB 1.265 68 residues pruned to eliminate duplicates Z: 21 28.654 2.110 0.758 0.650 1.000 0.900 CB 1.501 21 residues pruned to eliminate duplicates Z: 65 35.355 2.052 0.747 0.509 0.922 0.688 CB 1.325 65 residues pruned to eliminate duplicates Z: 23 22.952 2.031 0.795 0.687 0.909 0.682 CB 1.244 23 residues pruned to eliminate duplicates Z: 21 22.510 2.001 0.888 0.702 1.000 0.700 CB 1.108 21 residues pruned to eliminate duplicates Z: 22 21.462 2.039 0.681 0.704 0.952 0.762 CB 1.191 22 residues pruned to eliminate duplicates Z: 14 18.623 2.062 0.833 0.570 1.000 0.769 CB 1.277 14 residues pruned to eliminate duplicates Z: 22 22.850 2.023 0.767 0.738 0.952 0.762 CB 1.183 22 residues pruned to eliminate duplicates Z: 21 23.454 2.054 0.961 0.718 0.950 0.800 CB 1.126 21 residues pruned to eliminate duplicates Z: 51 35.232 1.980 0.766 0.648 0.980 0.720 CB 1.266 51 residues pruned to eliminate duplicates Z: 23 23.850 2.022 1.002 0.697 0.909 0.682 CB 1.154 23 residues pruned to eliminate duplicates Z: 21 27.800 2.105 0.968 0.699 0.950 0.800 CB 1.318 21 residues pruned to eliminate duplicates Z: 37 29.605 2.011 0.719 0.654 0.972 0.694 CB 1.272 37 residues pruned to eliminate duplicates Z: 22 28.047 2.058 1.108 0.697 0.952 0.667 CB 1.237 22 residues pruned to eliminate duplicates Z: 21 26.809 2.087 1.018 0.729 0.950 0.750 CB 1.219 21 residues pruned to eliminate duplicates Z: 23 25.333 2.053 1.009 0.720 0.909 0.682 CB 1.181 23 residues pruned to eliminate duplicates Z: 22 26.463 2.083 1.022 0.720 0.952 0.810 CB 1.181 22 residues pruned to eliminate duplicates Z: 21 28.910 2.059 1.171 0.751 0.950 0.700 CB 1.217 21 residues pruned to eliminate duplicates Z: 23 24.633 2.015 1.142 0.684 0.955 0.636 CB 1.077 23 residues pruned to eliminate duplicates Z: 20 28.157 2.050 1.080 0.736 0.895 0.632 CB 1.370 20 residues pruned to eliminate duplicates Z: 55 32.987 1.951 0.813 0.616 0.926 0.630 CB 1.228 55 residues pruned to eliminate duplicates Z: 37 35.378 1.983 1.018 0.668 0.972 0.528 CB 1.298 37 residues pruned to eliminate duplicates Z: 33 32.029 2.009 1.005 0.723 0.938 0.781 CB 1.226 33 residues pruned to eliminate duplicates Z: 37 22.666 1.940 0.791 0.620 0.861 0.556 CB 1.128 37 residues pruned to eliminate duplicates Z: 54 30.394 1.930 0.779 0.599 0.906 0.585 CB 1.221 54 residues pruned to eliminate duplicates Z: 40 29.135 1.963 0.821 0.661 0.923 0.667 CB 1.217 40 residues pruned to eliminate duplicates Z: 51 29.597 1.946 0.745 0.616 0.900 0.640 CB 1.227 51 residues pruned to eliminate duplicates Z: 34 32.792 2.000 0.919 0.711 1.000 0.727 CB 1.229 34 residues pruned to eliminate duplicates Z: 52 30.369 1.959 0.695 0.612 0.922 0.510 CB 1.250 52 residues pruned to eliminate duplicates Z: 34 30.044 2.000 0.903 0.734 1.000 0.727 CB 1.114 34 residues pruned to eliminate duplicates Z: 37 23.423 1.938 0.779 0.616 0.861 0.583 CB 1.179 37 residues pruned to eliminate duplicates Z: 28 20.160 1.911 0.786 0.607 0.889 0.444 CB 1.155 28 residues pruned to eliminate duplicates Z: 39 29.783 1.967 0.820 0.669 0.921 0.658 CB 1.254 39 residues pruned to eliminate duplicates Z: 55 33.359 1.957 0.843 0.603 0.870 0.556 CB 1.311 55 residues pruned to eliminate duplicates Z: 52 32.419 1.968 0.725 0.640 0.941 0.686 CB 1.247 52 residues pruned to eliminate duplicates Z: 55 31.848 1.954 0.739 0.616 0.907 0.648 CB 1.260 55 residues pruned to eliminate duplicates Z: 49 31.846 1.917 0.807 0.650 0.958 0.667 CB 1.204 49 residues pruned to eliminate duplicates Z: 36 15.251 1.763 0.556 0.503 0.800 0.571 CB 1.172 36 residues pruned to eliminate duplicates Z: 43 27.550 1.914 0.728 0.611 0.952 0.667 CB 1.215 43 residues pruned to eliminate duplicates Z: 56 32.741 1.967 0.723 0.585 0.927 0.673 CB 1.295 56 residues pruned to eliminate duplicates Z: 41 27.874 1.988 0.583 0.657 0.925 0.775 CB 1.309 41 residues pruned to eliminate duplicates Z: 55 30.654 1.961 0.703 0.603 0.889 0.704 CB 1.275 55 residues pruned to eliminate duplicates Z: 45 26.924 1.935 0.653 0.639 0.932 0.795 CB 1.195 45 residues pruned to eliminate duplicates Z: 52 35.951 1.981 0.789 0.631 0.961 0.667 CB 1.307 52 residues pruned to eliminate duplicates Z: 35 16.022 1.864 0.423 0.473 0.824 0.412 CB 1.294 35 residues pruned to eliminate duplicates Z: 52 30.780 1.954 0.707 0.620 0.941 0.686 CB 1.226 52 residues pruned to eliminate duplicates Z: 102 46.793 2.011 0.730 0.564 0.931 0.653 CB 1.351 102 residues pruned to eliminate duplicates Z: 52 33.895 1.953 0.743 0.615 0.961 0.647 CB 1.301 52 residues pruned to eliminate duplicates Z: 55 32.567 1.961 0.681 0.589 0.944 0.611 CB 1.306 55 residues pruned to eliminate duplicates Z: 21 10.936 1.792 0.794 0.379 0.750 0.500 CB 1.153 21 residues pruned to eliminate duplicates Z: 14 16.906 1.858 0.759 0.530 0.923 0.769 CB 1.508 14 residues pruned to eliminate duplicates Z: 16 18.653 1.854 0.817 0.598 0.867 0.600 CB 1.502 16 residues pruned to eliminate duplicates Z: 54 35.652 1.972 0.839 0.618 0.943 0.698 CB 1.281 54 residues pruned to eliminate duplicates Z: 18 12.731 1.828 0.744 0.445 0.882 0.529 CB 1.161 18 residues pruned to eliminate duplicates Z: 55 32.821 1.954 0.744 0.567 0.926 0.648 CB 1.326 55 residues pruned to eliminate duplicates Z: 17 12.524 1.844 0.571 0.374 0.938 0.500 CB 1.319 17 residues pruned to eliminate duplicates Z: 20 15.164 1.829 0.751 0.511 0.842 0.632 CB 1.276 20 residues pruned to eliminate duplicates Z: 41 25.598 1.888 0.697 0.523 0.925 0.500 CB 1.336 41 residues pruned to eliminate duplicates Z: 24 11.484 1.794 0.537 0.393 0.913 0.348 CB 1.065 24 residues pruned to eliminate duplicates Z: 66 29.813 1.913 0.669 0.526 0.923 0.662 CB 1.223 66 residues pruned to eliminate duplicates 7 1.534 1.716 0.310 0.083 0.667 0.167 CB 0.717 ? Z: 19 15.015 1.994 0.782 0.578 0.889 0.667 CB 1.039 19 residues pruned to eliminate duplicates Z: 81 35.599 1.948 0.659 0.539 0.900 0.600 CB 1.318 81 residues pruned to eliminate duplicates Z: 17 10.313 1.905 0.627 0.378 0.812 0.562 CB 1.167 17 residues pruned to eliminate duplicates Z: 49 27.158 1.984 0.812 0.539 0.875 0.708 CB 1.199 49 residues pruned to eliminate duplicates Z: 17 11.026 1.953 0.755 0.332 0.812 0.562 CB 1.189 17 residues pruned to eliminate duplicates Z: 23 15.681 1.971 0.561 0.524 0.909 0.636 CB 1.167 23 residues pruned to eliminate duplicates Z: 21 15.884 1.982 0.646 0.537 0.900 0.750 CB 1.167 21 residues pruned to eliminate duplicates Z: 50 22.127 1.958 0.547 0.461 0.816 0.510 CB 1.330 50 residues pruned to eliminate duplicates Z: 22 20.568 2.020 0.807 0.551 0.952 0.762 CB 1.228 22 residues pruned to eliminate duplicates Z: 24 19.649 1.978 0.603 0.487 0.957 0.652 CB 1.369 24 residues pruned to eliminate duplicates Z: 44 27.406 2.014 0.617 0.565 0.907 0.698 CB 1.329 44 residues pruned to eliminate duplicates Z: 43 28.396 2.033 0.681 0.532 0.929 0.667 CB 1.338 43 residues pruned to eliminate duplicates Z: 26 13.709 1.905 0.561 0.501 0.800 0.600 CB 1.151 26 residues pruned to eliminate duplicates Z: 53 34.310 2.036 0.720 0.575 0.942 0.712 CB 1.341 53 residues pruned to eliminate duplicates Z: 23 17.512 1.959 0.581 0.470 0.909 0.682 CB 1.368 23 residues pruned to eliminate duplicates Z: 24 17.295 1.907 0.682 0.396 0.870 0.565 CB 1.442 24 residues pruned to eliminate duplicates Z: 81 36.773 1.941 0.706 0.480 0.887 0.637 CB 1.428 81 residues pruned to eliminate duplicates Z: 49 31.271 2.033 0.599 0.573 0.917 0.729 CB 1.412 49 residues pruned to eliminate duplicates Z: 41 30.684 2.056 0.707 0.573 0.925 0.675 CB 1.394 41 residues pruned to eliminate duplicates Z: 54 37.166 2.068 0.722 0.592 0.925 0.717 CB 1.420 54 residues pruned to eliminate duplicates Z: 69 36.507 2.016 0.670 0.516 0.926 0.618 CB 1.397 69 residues pruned to eliminate duplicates Z: 49 31.017 2.029 0.776 0.556 0.854 0.708 CB 1.378 49 residues pruned to eliminate duplicates Z: 41 30.696 2.088 0.704 0.579 0.900 0.700 CB 1.405 41 residues pruned to eliminate duplicates Z: 51 30.663 2.034 0.773 0.568 0.860 0.580 CB 1.309 51 residues pruned to eliminate duplicates Z: 40 31.590 2.058 0.705 0.625 0.949 0.795 CB 1.350 40 residues pruned to eliminate duplicates Z: 60 33.648 2.010 0.706 0.529 0.915 0.661 CB 1.357 60 residues pruned to eliminate duplicates Z: 52 32.923 2.061 0.791 0.557 0.922 0.667 CB 1.282 52 residues pruned to eliminate duplicates Z: 54 35.785 2.056 0.799 0.547 0.925 0.679 CB 1.373 54 residues pruned to eliminate duplicates Z: 43 30.833 2.031 0.761 0.549 0.929 0.762 CB 1.366 43 residues pruned to eliminate duplicates Z: 50 37.750 2.055 0.869 0.566 0.939 0.673 CB 1.404 50 residues pruned to eliminate duplicates Z: 56 36.214 2.036 0.819 0.552 0.927 0.691 CB 1.352 56 residues pruned to eliminate duplicates Z: 55 36.325 2.052 0.728 0.563 0.944 0.704 CB 1.389 55 residues pruned to eliminate duplicates Z: 62 34.136 2.023 0.764 0.527 0.869 0.574 CB 1.372 62 residues pruned to eliminate duplicates Z: 51 39.580 2.082 0.758 0.610 0.960 0.640 CB 1.436 51 residues pruned to eliminate duplicates Z: 49 39.598 2.088 0.890 0.594 0.938 0.646 CB 1.413 49 residues pruned to eliminate duplicates Z: 69 35.317 1.992 0.715 0.534 0.897 0.588 CB 1.352 69 residues pruned to eliminate duplicates Z: 56 35.323 2.037 0.757 0.572 0.927 0.636 CB 1.339 56 residues pruned to eliminate duplicates Z: 51 36.367 2.064 0.799 0.576 0.920 0.640 CB 1.399 51 residues pruned to eliminate duplicates Z: 55 39.224 2.035 0.882 0.578 0.907 0.667 CB 1.425 55 residues pruned to eliminate duplicates Z: 55 35.155 2.055 0.720 0.549 0.944 0.648 CB 1.367 55 residues pruned to eliminate duplicates Z: 54 38.362 2.059 0.814 0.604 0.925 0.679 CB 1.382 54 residues pruned to eliminate duplicates Z: 54 37.935 2.075 0.792 0.561 0.943 0.660 CB 1.400 54 residues pruned to eliminate duplicates Z: 75 35.189 1.985 0.686 0.505 0.878 0.608 CB 1.386 75 residues pruned to eliminate duplicates Z: 75 34.271 2.003 0.698 0.509 0.851 0.622 CB 1.364 75 residues pruned to eliminate duplicates Z: 54 36.386 2.073 0.733 0.578 0.943 0.698 CB 1.368 54 residues pruned to eliminate duplicates Z: 55 36.638 2.056 0.783 0.590 0.926 0.630 CB 1.347 55 residues pruned to eliminate duplicates Z: 54 37.727 2.065 0.705 0.597 0.962 0.660 CB 1.394 54 residues pruned to eliminate duplicates Z: 45 38.993 2.064 0.841 0.622 0.955 0.682 CB 1.445 44 residues pruned to eliminate duplicates Z: 6 4.663 1.621 0.580 0.262 0.800 0.600 CB 1.337 6 residues pruned to eliminate duplicates Z: 21 16.861 1.883 0.542 0.587 0.850 0.450 CB 1.405 21 residues pruned to eliminate duplicates Z: 21 21.949 1.901 0.632 0.616 0.950 0.550 CB 1.493 21 residues pruned to eliminate duplicates Z: 18 16.985 1.917 0.609 0.583 0.882 0.647 CB 1.398 18 residues pruned to eliminate duplicates Z: 22 17.665 1.854 0.631 0.594 0.905 0.571 CB 1.288 22 residues pruned to eliminate duplicates Z: 36 29.538 1.935 0.604 0.689 0.914 0.571 CB 1.480 36 residues pruned to eliminate duplicates Z: 15 18.958 1.905 0.742 0.664 0.929 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 18 20.661 1.872 0.627 0.607 1.000 0.588 CB 1.487 18 residues pruned to eliminate duplicates Z: 48 27.017 1.942 0.620 0.514 0.851 0.489 CB 1.451 48 residues pruned to eliminate duplicates Z: 22 21.742 1.889 0.684 0.631 0.952 0.429 CB 1.384 22 residues pruned to eliminate duplicates Z: 22 17.414 1.820 0.745 0.527 0.905 0.619 CB 1.288 22 residues pruned to eliminate duplicates Z: 24 20.376 1.811 0.725 0.528 0.870 0.435 CB 1.521 24 residues pruned to eliminate duplicates Z: 33 23.410 1.934 0.534 0.650 0.906 0.688 CB 1.338 33 residues pruned to eliminate duplicates Z: 24 18.789 1.860 0.629 0.578 0.913 0.783 CB 1.313 24 residues pruned to eliminate duplicates Z: 37 30.224 1.945 0.748 0.642 0.944 0.722 CB 1.374 37 residues pruned to eliminate duplicates Z: 62 36.023 1.948 0.645 0.633 0.951 0.705 CB 1.336 62 residues pruned to eliminate duplicates Z: 37 27.503 1.924 0.596 0.657 0.972 0.750 CB 1.326 37 residues pruned to eliminate duplicates Z: 40 28.253 1.898 0.634 0.641 0.949 0.615 CB 1.348 40 residues pruned to eliminate duplicates Z: 57 31.381 1.904 0.596 0.612 0.911 0.661 CB 1.363 57 residues pruned to eliminate duplicates Z: 20 22.951 1.962 0.682 0.739 0.842 0.684 CB 1.529 20 residues pruned to eliminate duplicates Z: 35 30.033 1.982 0.588 0.725 0.941 0.676 CB 1.419 35 residues pruned to eliminate duplicates Z: 38 31.589 1.931 0.663 0.693 0.946 0.676 CB 1.432 38 residues pruned to eliminate duplicates Z: 20 18.636 2.011 0.468 0.705 0.842 0.737 CB 1.427 20 residues pruned to eliminate duplicates Z: 37 32.622 1.967 0.651 0.708 0.972 0.611 CB 1.426 37 residues pruned to eliminate duplicates Z: 74 37.626 1.889 0.623 0.624 0.945 0.616 CB 1.352 74 residues pruned to eliminate duplicates Z: 48 33.117 1.941 0.782 0.647 0.936 0.617 CB 1.301 48 residues pruned to eliminate duplicates Z: 84 42.450 1.930 0.783 0.619 0.916 0.566 CB 1.322 54 residues pruned to eliminate duplicates Z: 20 30.599 1.936 0.997 0.921 1.000 0.579 CB 1.277 20 residues pruned to eliminate duplicates Z: 37 25.406 1.920 0.707 0.686 0.861 0.528 CB 1.265 37 residues pruned to eliminate duplicates Z: 56 35.242 1.918 0.734 0.643 0.927 0.582 CB 1.349 56 residues pruned to eliminate duplicates Z: 53 34.633 1.962 0.719 0.627 0.962 0.596 CB 1.314 53 residues pruned to eliminate duplicates Z: 52 34.829 1.953 0.833 0.621 0.902 0.667 CB 1.347 52 residues pruned to eliminate duplicates Z: 51 31.649 1.945 0.709 0.643 0.900 0.680 CB 1.308 51 residues pruned to eliminate duplicates Z: 30 20.748 1.972 0.767 0.631 0.862 0.448 CB 1.134 30 residues pruned to eliminate duplicates Z: 58 34.164 1.910 0.779 0.583 0.912 0.596 CB 1.348 58 residues pruned to eliminate duplicates Z: 53 33.506 1.928 0.818 0.624 0.904 0.558 CB 1.305 53 residues pruned to eliminate duplicates Z: 61 35.771 1.925 0.731 0.597 0.933 0.533 CB 1.354 61 residues pruned to eliminate duplicates Z: 53 36.097 1.953 0.697 0.662 0.962 0.596 CB 1.352 53 residues pruned to eliminate duplicates Z: 51 33.180 1.955 0.752 0.639 0.920 0.480 CB 1.307 51 residues pruned to eliminate duplicates Z: 16 8.144 1.783 0.555 0.343 0.667 0.400 CB 1.349 16 residues pruned to eliminate duplicates Z: 51 32.775 1.933 0.849 0.646 0.880 0.620 CB 1.286 51 residues pruned to eliminate duplicates Z: 55 29.018 1.900 0.826 0.566 0.889 0.537 CB 1.201 55 residues pruned to eliminate duplicates Z: 35 35.328 2.028 0.873 0.692 0.971 0.853 CB 1.379 35 residues pruned to eliminate duplicates Z: 52 35.432 1.969 0.729 0.650 0.941 0.647 CB 1.346 52 residues pruned to eliminate duplicates Z: 51 36.188 1.965 0.792 0.670 0.940 0.600 CB 1.321 51 residues pruned to eliminate duplicates Z: 50 37.815 1.967 0.852 0.660 0.918 0.633 CB 1.393 50 residues pruned to eliminate duplicates Z: 59 30.544 1.909 0.731 0.608 0.897 0.603 CB 1.222 59 residues pruned to eliminate duplicates Z: 52 37.001 1.959 0.892 0.664 0.941 0.686 CB 1.276 52 residues pruned to eliminate duplicates Z: 78 33.464 2.028 0.636 0.491 0.870 0.597 CB 1.332 78 residues pruned to eliminate duplicates Z: 15 11.944 2.028 0.443 0.663 0.857 0.571 CB 1.094 15 residues pruned to eliminate duplicates Z: 57 27.566 2.038 0.620 0.496 0.911 0.607 CB 1.230 57 residues pruned to eliminate duplicates Z: 11 17.885 2.123 0.714 0.753 0.800 0.700 CB 1.551 11 residues pruned to eliminate duplicates Z: 13 14.889 1.983 0.549 0.644 0.917 0.667 CB 1.334 13 residues pruned to eliminate duplicates Z: 57 28.518 2.039 0.661 0.510 0.875 0.679 CB 1.274 57 residues pruned to eliminate duplicates Z: 13 13.576 2.052 0.788 0.671 0.833 0.667 CB 1.094 13 residues pruned to eliminate duplicates Z: 18 14.235 2.039 0.400 0.596 0.941 0.647 CB 1.173 18 residues pruned to eliminate duplicates Z: 34 20.413 2.017 0.386 0.626 0.939 0.576 CB 1.202 34 residues pruned to eliminate duplicates Z: 98 45.743 2.082 0.607 0.541 0.928 0.701 CB 1.437 98 residues pruned to eliminate duplicates Z: 22 14.773 2.000 0.575 0.581 0.810 0.619 CB 1.169 22 residues pruned to eliminate duplicates Z: 48 22.073 2.020 0.585 0.439 0.894 0.660 CB 1.198 48 residues pruned to eliminate duplicates Z: 23 15.184 1.990 0.507 0.566 0.909 0.682 CB 1.114 23 residues pruned to eliminate duplicates Z: 30 16.494 1.975 0.548 0.543 0.862 0.724 CB 1.114 30 residues pruned to eliminate duplicates Z: 34 17.218 2.032 0.436 0.422 0.818 0.667 CB 1.362 34 residues pruned to eliminate duplicates Z: 47 25.834 2.052 0.641 0.452 0.935 0.674 CB 1.271 47 residues pruned to eliminate duplicates Z: 47 22.028 2.054 0.613 0.448 0.848 0.630 CB 1.220 47 residues pruned to eliminate duplicates Z: 47 26.419 2.070 0.749 0.449 0.891 0.652 CB 1.272 47 residues pruned to eliminate duplicates Z: 44 17.910 1.949 0.570 0.441 0.791 0.558 CB 1.199 44 residues pruned to eliminate duplicates Z: 49 27.064 2.014 0.675 0.468 0.917 0.625 CB 1.305 49 residues pruned to eliminate duplicates Z: 27 19.316 2.014 0.668 0.551 0.923 0.615 CB 1.162 27 residues pruned to eliminate duplicates Z: 38 24.739 2.071 0.709 0.510 0.892 0.676 CB 1.276 38 residues pruned to eliminate duplicates Z: 46 24.738 2.054 0.722 0.467 0.911 0.667 CB 1.184 46 residues pruned to eliminate duplicates Z: 31 20.849 2.038 0.696 0.524 0.867 0.667 CB 1.241 31 residues pruned to eliminate duplicates Z: 51 22.365 1.964 0.694 0.389 0.840 0.620 CB 1.273 51 residues pruned to eliminate duplicates Z: 37 18.969 1.953 0.778 0.414 0.833 0.556 CB 1.196 37 residues pruned to eliminate duplicates Z: 89 49.093 2.082 0.800 0.522 0.955 0.727 CB 1.431 89 residues pruned to eliminate duplicates Z: 83 36.379 2.046 0.689 0.471 0.890 0.695 CB 1.344 83 residues pruned to eliminate duplicates Z: 44 28.966 2.050 0.748 0.438 0.977 0.698 CB 1.346 44 residues pruned to eliminate duplicates Z: 43 28.771 2.057 0.749 0.464 0.976 0.714 CB 1.311 43 residues pruned to eliminate duplicates Z: 48 25.652 2.032 0.677 0.401 0.957 0.681 CB 1.274 48 residues pruned to eliminate duplicates Z: 49 24.558 2.019 0.780 0.409 0.854 0.521 CB 1.271 49 residues pruned to eliminate duplicates Z: 47 23.658 2.003 0.607 0.432 0.935 0.630 CB 1.244 47 residues pruned to eliminate duplicates Z: 45 27.155 2.043 0.709 0.435 0.977 0.705 CB 1.283 45 residues pruned to eliminate duplicates Z: 63 33.682 2.062 0.777 0.424 0.919 0.645 CB 1.374 63 residues pruned to eliminate duplicates Z: 107 48.054 2.082 0.812 0.523 0.877 0.679 CB 1.378 107 residues pruned to eliminate duplicates Z: 44 26.787 2.095 0.754 0.434 0.907 0.605 CB 1.312 44 residues pruned to eliminate duplicates Z: 29 17.352 2.022 0.674 0.267 0.929 0.429 CB 1.360 29 residues pruned to eliminate duplicates Z: 47 26.749 2.022 0.818 0.403 0.913 0.609 CB 1.301 47 residues pruned to eliminate duplicates Z: 57 27.751 2.013 0.740 0.380 0.893 0.518 CB 1.348 57 residues pruned to eliminate duplicates Z: 85 46.540 2.107 0.740 0.517 0.929 0.702 CB 1.467 85 residues pruned to eliminate duplicates Z: 43 29.617 2.066 0.787 0.479 0.929 0.762 CB 1.361 43 residues pruned to eliminate duplicates Z: 52 24.061 1.987 0.678 0.373 0.902 0.588 CB 1.283 52 residues pruned to eliminate duplicates Z: 43 29.245 2.068 0.848 0.430 0.952 0.738 CB 1.333 43 residues pruned to eliminate duplicates Z: 58 35.410 2.039 0.760 0.455 0.912 0.632 CB 1.501 58 residues pruned to eliminate duplicates Z: 22 10.707 1.877 0.751 0.289 0.810 0.429 CB 1.113 22 residues pruned to eliminate duplicates Z: 33 28.675 2.030 1.102 0.512 0.844 0.438 CB 1.391 33 residues pruned to eliminate duplicates Z: 10 5.928 1.857 0.711 0.249 0.778 0.556 CB 1.068 10 residues pruned to eliminate duplicates Z: 51 24.570 1.960 0.772 0.420 0.860 0.580 CB 1.265 51 residues pruned to eliminate duplicates Z: 97 49.494 2.092 0.864 0.504 0.917 0.625 CB 1.408 97 residues pruned to eliminate duplicates Z: 47 26.915 2.055 0.808 0.391 0.891 0.609 CB 1.345 47 residues pruned to eliminate duplicates Z: 90 52.109 2.126 0.841 0.541 0.899 0.674 CB 1.509 90 residues pruned to eliminate duplicates Z: 28 24.547 2.064 0.868 0.472 0.889 0.667 CB 1.418 28 residues pruned to eliminate duplicates Z: 77 30.379 2.003 0.668 0.419 0.868 0.553 CB 1.307 77 residues pruned to eliminate duplicates Z: 36 26.105 2.100 0.580 0.551 0.914 0.657 CB 1.383 36 residues pruned to eliminate duplicates Z: 32 28.623 2.096 0.701 0.546 0.935 0.774 CB 1.473 32 residues pruned to eliminate duplicates Z: 40 26.325 2.088 0.640 0.518 0.872 0.667 CB 1.387 40 residues pruned to eliminate duplicates Z: 92 47.884 2.102 0.780 0.534 0.934 0.681 CB 1.389 92 residues pruned to eliminate duplicates Z: 16 26.984 2.187 0.713 0.588 1.000 0.933 CB 1.709 16 residues pruned to eliminate duplicates Z: 70 39.261 2.097 0.674 0.556 0.928 0.638 CB 1.375 70 residues pruned to eliminate duplicates Z: 61 32.399 2.060 0.780 0.455 0.850 0.617 CB 1.406 73 residues pruned to eliminate duplicates Z: 30 28.249 2.150 0.609 0.582 0.897 0.724 CB 1.563 30 residues pruned to eliminate duplicates Z: 27 26.442 2.063 0.849 0.602 0.808 0.692 CB 1.528 27 residues pruned to eliminate duplicates Z: 53 36.784 2.142 0.737 0.606 0.885 0.750 CB 1.402 53 residues pruned to eliminate duplicates Z: 27 23.656 2.077 0.852 0.432 0.923 0.731 CB 1.401 27 residues pruned to eliminate duplicates Z: 54 31.945 2.105 0.583 0.592 0.906 0.717 CB 1.332 54 residues pruned to eliminate duplicates Z: 78 35.385 2.056 0.754 0.427 0.870 0.558 CB 1.386 78 residues pruned to eliminate duplicates Z: 49 29.063 2.101 0.697 0.459 0.896 0.667 CB 1.369 49 residues pruned to eliminate duplicates Z: 92 44.178 2.085 0.714 0.530 0.912 0.681 CB 1.379 92 residues pruned to eliminate duplicates Z: 86 35.736 2.049 0.689 0.469 0.894 0.541 CB 1.293 108 residues pruned to eliminate duplicates Z: 97 45.342 2.103 0.689 0.526 0.885 0.708 CB 1.434 97 residues pruned to eliminate duplicates Z: 100 61.325 2.102 0.913 0.628 0.960 0.687 CB 1.417 153 residues pruned to eliminate duplicates Z: 16 25.070 2.039 0.833 0.757 0.867 0.800 CB 1.591 16 residues pruned to eliminate duplicates Z: 86 40.632 2.088 0.687 0.490 0.906 0.635 CB 1.396 86 residues pruned to eliminate duplicates Z: 71 42.481 2.120 0.762 0.513 0.914 0.614 CB 1.468 71 residues pruned to eliminate duplicates Z: 43 42.022 2.163 0.665 0.672 0.976 0.738 CB 1.574 43 residues pruned to eliminate duplicates Z: 35 27.434 2.049 0.752 0.542 0.882 0.647 CB 1.426 35 residues pruned to eliminate duplicates Z: 43 42.679 2.168 0.695 0.665 0.976 0.738 CB 1.575 43 residues pruned to eliminate duplicates Z: 29 28.302 2.123 0.786 0.587 0.893 0.714 CB 1.453 29 residues pruned to eliminate duplicates Z: 38 34.478 2.146 0.731 0.666 0.919 0.649 CB 1.424 38 residues pruned to eliminate duplicates Z: 20 26.990 2.112 0.829 0.664 0.947 0.789 CB 1.453 20 residues pruned to eliminate duplicates Z: 21 26.511 2.150 0.788 0.681 1.000 0.800 CB 1.306 21 residues pruned to eliminate duplicates Z: 41 33.928 2.152 0.834 0.544 0.900 0.625 CB 1.446 41 residues pruned to eliminate duplicates Z: 49 39.559 2.093 0.833 0.588 0.958 0.708 CB 1.428 49 residues pruned to eliminate duplicates Z: 87 47.157 2.108 0.793 0.517 0.953 0.593 CB 1.388 87 residues pruned to eliminate duplicates Z: 20 27.737 2.172 0.897 0.633 0.947 0.684 CB 1.438 20 residues pruned to eliminate duplicates Z: 46 41.112 2.155 0.924 0.650 0.933 0.756 CB 1.377 46 residues pruned to eliminate duplicates Z: 22 22.329 2.059 0.900 0.606 0.905 0.571 CB 1.246 22 residues pruned to eliminate duplicates Z: 20 27.779 2.172 1.098 0.666 0.895 0.842 CB 1.340 20 residues pruned to eliminate duplicates Z: 36 34.586 2.058 1.039 0.584 0.886 0.571 CB 1.451 36 residues pruned to eliminate duplicates Z: 18 30.763 2.117 1.017 0.709 0.941 0.588 CB 1.537 18 residues pruned to eliminate duplicates Z: 22 32.466 2.135 1.108 0.680 1.000 0.667 CB 1.334 22 residues pruned to eliminate duplicates Z: 73 41.406 2.062 0.842 0.562 0.944 0.639 CB 1.281 73 residues pruned to eliminate duplicates Z: 31 33.411 2.122 1.059 0.587 0.800 0.633 CB 1.605 31 residues pruned to eliminate duplicates Z: 78 47.314 2.102 0.929 0.537 0.870 0.714 CB 1.473 78 residues pruned to eliminate duplicates Z: 40 33.182 2.111 0.790 0.569 0.897 0.513 CB 1.466 40 residues pruned to eliminate duplicates Z: 81 37.477 2.077 0.798 0.478 0.800 0.512 CB 1.433 81 residues pruned to eliminate duplicates Z: 62 41.578 2.101 0.938 0.519 0.852 0.590 CB 1.506 62 residues pruned to eliminate duplicates Z: 35 37.281 2.155 1.023 0.540 0.882 0.618 CB 1.599 35 residues pruned to eliminate duplicates Z: 50 43.820 2.179 0.930 0.570 0.898 0.714 CB 1.550 50 residues pruned to eliminate duplicates Z: 36 35.891 2.132 0.941 0.541 0.886 0.543 CB 1.591 36 residues pruned to eliminate duplicates Z: 37 28.434 2.070 0.897 0.510 0.806 0.444 CB 1.484 37 residues pruned to eliminate duplicates Z: 41 34.421 2.109 1.099 0.525 0.875 0.475 CB 1.372 41 residues pruned to eliminate duplicates Z: 41 37.417 2.101 0.948 0.577 0.900 0.650 CB 1.491 41 residues pruned to eliminate duplicates Z: 32 27.308 1.967 0.916 0.510 0.871 0.452 CB 1.479 32 residues pruned to eliminate duplicates Z: 36 34.309 2.128 0.810 0.544 0.886 0.543 CB 1.629 36 residues pruned to eliminate duplicates Z: 49 38.746 2.133 0.899 0.539 0.896 0.542 CB 1.482 49 residues pruned to eliminate duplicates Z: 81 54.669 2.150 0.901 0.566 0.900 0.625 CB 1.558 81 residues pruned to eliminate duplicates Z: 38 37.952 2.128 0.929 0.554 0.865 0.568 CB 1.667 38 residues pruned to eliminate duplicates Z: 37 36.621 2.145 0.917 0.546 0.861 0.556 CB 1.648 37 residues pruned to eliminate duplicates Z: 120 56.711 2.111 0.876 0.514 0.916 0.555 CB 1.414 120 residues pruned to eliminate duplicates Z: 108 56.564 2.126 0.868 0.519 0.916 0.617 CB 1.475 111 residues pruned to eliminate duplicates Z: 7 6.401 1.796 0.733 0.511 0.833 0.500 CB 0.997 7 residues pruned to eliminate duplicates Z: 55 43.592 2.156 0.985 0.560 0.907 0.574 CB 1.441 55 residues pruned to eliminate duplicates Z: 85 48.305 2.124 0.912 0.534 0.881 0.583 CB 1.425 85 residues pruned to eliminate duplicates Z: 125 51.983 2.063 0.804 0.496 0.887 0.565 CB 1.421 125 residues pruned to eliminate duplicates Z: 49 42.705 2.153 0.967 0.557 0.875 0.604 CB 1.574 49 residues pruned to eliminate duplicates Z: 40 34.229 2.112 0.796 0.558 0.872 0.590 CB 1.567 40 residues pruned to eliminate duplicates Z: 52 34.178 2.087 0.834 0.523 0.843 0.608 CB 1.449 52 residues pruned to eliminate duplicates Z: 89 42.548 2.060 0.790 0.474 0.898 0.545 CB 1.406 89 residues pruned to eliminate duplicates Z: 33 14.947 1.857 0.699 0.335 0.844 0.531 CB 1.189 33 residues pruned to eliminate duplicates Z: 38 33.808 2.110 0.799 0.526 0.919 0.622 CB 1.553 38 residues pruned to eliminate duplicates Z: 56 44.230 2.069 0.847 0.560 0.964 0.636 CB 1.527 56 residues pruned to eliminate duplicates Z: 39 34.055 2.085 0.838 0.543 0.895 0.526 CB 1.544 39 residues pruned to eliminate duplicates Z: 38 33.528 2.113 0.847 0.532 0.865 0.486 CB 1.582 38 residues pruned to eliminate duplicates Z: 15 15.150 1.842 0.804 0.490 0.857 0.500 CB 1.436 15 residues pruned to eliminate duplicates Z: 39 29.940 2.050 0.807 0.504 0.816 0.553 CB 1.601 39 residues pruned to eliminate duplicates Z: 15 21.428 2.070 0.728 0.592 0.929 0.500 CB 1.578 15 residues pruned to eliminate duplicates Z: 17 23.452 2.059 0.847 0.568 0.938 0.562 CB 1.540 17 residues pruned to eliminate duplicates Z: 18 17.291 1.990 0.677 0.462 0.882 0.588 CB 1.480 18 residues pruned to eliminate duplicates Z: 86 37.389 2.027 0.756 0.452 0.859 0.576 CB 1.394 39 residues pruned to eliminate duplicates Z: 7 3.117 1.417 0.523 0.289 0.833 0.500 N 0.897 7 residues pruned to eliminate duplicates Z: 51 36.017 2.022 0.894 0.503 0.880 0.580 CB 1.507 51 residues pruned to eliminate duplicates Z: 32 15.946 1.833 0.850 0.386 0.806 0.419 CB 1.182 32 residues pruned to eliminate duplicates Z: 32 16.266 1.949 0.701 0.355 0.806 0.613 CB 1.278 32 residues pruned to eliminate duplicates Z: 108 49.697 2.042 0.938 0.498 0.888 0.598 CB 1.370 108 residues pruned to eliminate duplicates Z: 105 44.390 2.039 0.843 0.501 0.865 0.606 CB 1.338 105 residues pruned to eliminate duplicates Z: 20 11.247 1.893 0.891 0.365 0.789 0.474 CB 1.056 20 residues pruned to eliminate duplicates Z: 21 9.727 1.886 0.700 0.268 0.800 0.400 CB 1.104 21 residues pruned to eliminate duplicates Z: 35 18.740 1.973 0.645 0.404 0.824 0.529 CB 1.330 35 residues pruned to eliminate duplicates Z: 35 14.720 1.911 0.640 0.364 0.824 0.500 CB 1.132 35 residues pruned to eliminate duplicates Z: 163 57.094 2.059 0.902 0.486 0.870 0.586 CB 1.334 163 residues pruned to eliminate duplicates Z: 24 16.001 1.936 0.757 0.408 0.870 0.565 CB 1.242 24 residues pruned to eliminate duplicates Z: 44 26.868 1.987 0.886 0.509 0.884 0.628 CB 1.226 44 residues pruned to eliminate duplicates Z: 48 28.450 1.986 0.670 0.528 0.936 0.702 CB 1.301 48 residues pruned to eliminate duplicates Z: 12 8.289 1.731 0.564 0.548 0.727 0.364 CB 1.211 12 residues pruned to eliminate duplicates Z: 31 15.160 1.839 0.681 0.376 0.867 0.500 CB 1.180 31 residues pruned to eliminate duplicates Z: 110 55.058 2.072 0.905 0.533 0.899 0.550 CB 1.439 110 residues pruned to eliminate duplicates Z: 45 26.996 2.025 0.688 0.544 0.864 0.614 CB 1.321 45 residues pruned to eliminate duplicates Z: 42 33.164 2.057 0.797 0.598 0.927 0.707 CB 1.377 42 residues pruned to eliminate duplicates Z: 14 7.252 1.788 0.412 0.382 0.692 0.385 CB 1.305 14 residues pruned to eliminate duplicates Z: 53 33.040 2.049 0.772 0.590 0.923 0.769 CB 1.255 53 residues pruned to eliminate duplicates Z: 53 33.311 2.058 0.816 0.587 0.904 0.596 CB 1.259 53 residues pruned to eliminate duplicates Z: 42 25.767 2.024 0.656 0.545 0.878 0.537 CB 1.308 42 residues pruned to eliminate duplicates Z: 39 25.682 1.980 0.618 0.605 0.921 0.658 CB 1.278 39 residues pruned to eliminate duplicates Z: 54 29.603 1.994 0.717 0.581 0.868 0.642 CB 1.266 54 residues pruned to eliminate duplicates Z: 40 28.554 2.048 0.701 0.566 0.974 0.718 CB 1.263 40 residues pruned to eliminate duplicates Z: 52 32.831 2.048 0.784 0.529 0.961 0.686 CB 1.273 52 residues pruned to eliminate duplicates Z: 37 32.354 2.088 0.827 0.623 0.917 0.694 CB 1.374 37 residues pruned to eliminate duplicates Z: 54 31.797 2.056 0.763 0.518 0.906 0.642 CB 1.307 54 residues pruned to eliminate duplicates Z: 97 56.704 2.099 0.895 0.601 0.938 0.677 CB 1.409 97 residues pruned to eliminate duplicates Z: 24 24.201 2.058 0.619 0.709 0.913 0.739 CB 1.372 24 residues pruned to eliminate duplicates Z: 73 36.568 1.996 0.812 0.521 0.903 0.542 CB 1.293 73 residues pruned to eliminate duplicates Z: 53 30.425 2.063 0.691 0.548 0.885 0.577 CB 1.305 53 residues pruned to eliminate duplicates Z: 70 35.116 2.049 0.702 0.546 0.870 0.580 CB 1.333 70 residues pruned to eliminate duplicates Z: 38 35.541 2.063 0.850 0.645 0.919 0.622 CB 1.455 38 residues pruned to eliminate duplicates Z: 54 31.309 2.015 0.776 0.537 0.830 0.585 CB 1.397 54 residues pruned to eliminate duplicates Z: 54 33.135 2.062 0.676 0.533 0.962 0.585 CB 1.325 54 residues pruned to eliminate duplicates Z: 45 33.115 2.073 0.751 0.610 0.909 0.636 CB 1.362 45 residues pruned to eliminate duplicates Z: 55 34.729 2.033 0.931 0.571 0.907 0.556 CB 1.239 55 residues pruned to eliminate duplicates Z: 54 36.815 2.067 0.873 0.576 0.925 0.717 CB 1.312 54 residues pruned to eliminate duplicates Z: 54 31.727 2.049 0.730 0.543 0.906 0.642 CB 1.301 54 residues pruned to eliminate duplicates Z: 51 30.959 2.054 0.734 0.538 0.900 0.600 CB 1.316 51 residues pruned to eliminate duplicates Z: 54 36.706 2.057 0.749 0.592 0.962 0.660 CB 1.334 54 residues pruned to eliminate duplicates Z: 55 36.397 2.040 0.760 0.592 0.963 0.667 CB 1.311 55 residues pruned to eliminate duplicates Z: 11 19.506 1.993 0.803 0.616 1.000 0.800 CB 1.538 10 residues pruned to eliminate duplicates Z: 6 2.856 1.561 0.211 0.333 1.000 0.400 N 0.811 6 residues pruned to eliminate duplicates Z: 55 33.301 2.037 0.767 0.535 0.889 0.593 CB 1.368 76 residues pruned to eliminate duplicates Z: 92 46.917 2.062 0.775 0.546 0.890 0.648 CB 1.443 92 residues pruned to eliminate duplicates Z: 54 33.415 2.058 0.717 0.558 0.925 0.623 CB 1.329 54 residues pruned to eliminate duplicates Z: 38 43.311 2.160 0.895 0.724 0.973 0.676 CB 1.461 38 residues pruned to eliminate duplicates Z: 50 35.254 2.064 0.714 0.599 0.878 0.653 CB 1.476 50 residues pruned to eliminate duplicates Z: 37 39.800 2.148 0.830 0.664 0.944 0.694 CB 1.535 37 residues pruned to eliminate duplicates Z: 51 37.026 2.087 0.851 0.619 0.880 0.640 CB 1.376 51 residues pruned to eliminate duplicates Z: 47 40.520 2.063 0.847 0.677 0.935 0.674 CB 1.425 47 residues pruned to eliminate duplicates Z: 12 20.233 1.874 1.005 0.582 1.000 0.727 CA 1.501 12 residues pruned to eliminate duplicates Z: 46 43.517 2.084 0.850 0.722 0.956 0.733 CB 1.441 46 residues pruned to eliminate duplicates Z: 39 37.464 2.114 0.810 0.635 0.974 0.711 CB 1.438 39 residues pruned to eliminate duplicates Z: 43 41.266 2.103 0.843 0.703 0.952 0.690 CB 1.434 43 residues pruned to eliminate duplicates Z: 17 29.321 2.245 0.819 0.662 0.938 0.688 CB 1.648 17 residues pruned to eliminate duplicates Z: 45 43.501 2.091 0.860 0.703 0.977 0.682 CB 1.434 45 residues pruned to eliminate duplicates Z: 17 33.541 2.283 0.906 0.691 1.000 0.688 CB 1.618 18 residues pruned to eliminate duplicates Z: 19 30.878 2.175 0.870 0.705 0.889 0.611 CB 1.671 19 residues pruned to eliminate duplicates Z: 44 41.508 2.100 0.850 0.714 0.930 0.744 CB 1.444 44 residues pruned to eliminate duplicates Z: 39 41.727 2.147 0.902 0.687 0.895 0.579 CB 1.561 39 residues pruned to eliminate duplicates Z: 45 36.727 2.007 0.805 0.690 0.955 0.705 CB 1.346 45 residues pruned to eliminate duplicates Z: 23 25.116 2.016 0.567 0.739 0.955 0.818 CB 1.433 23 residues pruned to eliminate duplicates Z: 40 41.893 2.131 0.855 0.716 0.949 0.821 CB 1.471 40 residues pruned to eliminate duplicates Z: 53 45.913 2.096 0.904 0.659 0.942 0.712 CB 1.460 53 residues pruned to eliminate duplicates Z: 36 45.043 2.177 1.008 0.706 0.943 0.771 CB 1.532 36 residues pruned to eliminate duplicates Z: 44 47.227 2.120 0.946 0.717 0.953 0.744 CB 1.505 44 residues pruned to eliminate duplicates Z: 40 30.908 2.062 0.658 0.676 0.897 0.692 CB 1.372 40 residues pruned to eliminate duplicates Z: 36 46.776 2.170 1.090 0.717 0.943 0.743 CB 1.519 36 residues pruned to eliminate duplicates Z: 52 46.705 2.090 0.968 0.662 0.941 0.686 CB 1.454 52 residues pruned to eliminate duplicates Z: 45 43.042 2.098 0.967 0.688 0.932 0.659 CB 1.421 45 residues pruned to eliminate duplicates Z: 46 47.696 2.117 0.999 0.694 0.956 0.622 CB 1.472 46 residues pruned to eliminate duplicates Z: 53 44.059 2.098 0.857 0.644 0.942 0.750 CB 1.455 53 residues pruned to eliminate duplicates Z: 49 40.965 2.058 0.857 0.627 0.917 0.604 CB 1.498 49 residues pruned to eliminate duplicates Z: 44 50.900 2.098 1.066 0.734 0.977 0.674 CB 1.485 44 residues pruned to eliminate duplicates Z: 46 43.417 2.082 0.991 0.667 0.956 0.556 CB 1.400 46 residues pruned to eliminate duplicates Z: 39 42.440 2.123 0.998 0.661 0.947 0.763 CB 1.477 39 residues pruned to eliminate duplicates Z: 44 47.207 2.128 0.971 0.717 0.953 0.721 CB 1.479 44 residues pruned to eliminate duplicates Z: 43 47.839 2.119 1.052 0.746 0.952 0.667 CB 1.431 43 residues pruned to eliminate duplicates Z: 20 31.151 1.991 1.107 0.845 1.000 0.842 CB 1.266 20 residues pruned to eliminate duplicates Z: 52 49.610 2.115 0.980 0.676 0.980 0.608 CB 1.439 52 residues pruned to eliminate duplicates Z: 19 31.985 1.957 1.236 0.877 0.944 0.444 CB 1.324 19 residues pruned to eliminate duplicates Z: 40 34.826 2.049 0.840 0.625 0.949 0.538 CB 1.385 40 residues pruned to eliminate duplicates Z: 36 30.787 2.000 0.705 0.637 0.971 0.629 CB 1.382 36 residues pruned to eliminate duplicates Z: 39 35.450 1.990 0.995 0.643 0.921 0.500 CB 1.377 39 residues pruned to eliminate duplicates Z: 49 36.240 2.072 0.840 0.630 0.875 0.562 CB 1.388 49 residues pruned to eliminate duplicates Z: 22 19.459 1.908 0.816 0.586 0.905 0.524 CB 1.247 22 residues pruned to eliminate duplicates Z: 52 44.710 2.054 0.927 0.653 0.961 0.706 CB 1.427 52 residues pruned to eliminate duplicates Z: 52 47.292 2.106 0.885 0.677 0.961 0.725 CB 1.476 52 residues pruned to eliminate duplicates Z: 52 43.714 2.052 1.056 0.653 0.941 0.608 CB 1.336 52 residues pruned to eliminate duplicates Z: 57 47.126 2.061 1.051 0.617 0.946 0.661 CB 1.409 57 residues pruned to eliminate duplicates Z: 53 47.340 2.095 0.951 0.682 0.962 0.731 CB 1.413 53 residues pruned to eliminate duplicates 423 residues left after pruning, divided into chains as follows: A: 10 B: 7 C: 222 D: 79 E: 105 CC for partial structure against native data = 38.09 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.662, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.779, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.920, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.947, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.966, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.973, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.977, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.978, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.979, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.976, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2342 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 502 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 28.310 1.947 0.959 0.897 1.000 0.867 CB 1.371 B: 15 22.120 2.066 0.430 0.788 1.000 0.786 CB 1.554 C: 15 36.365 2.160 1.098 0.919 1.000 0.929 CB 1.511 16 residues pruned to eliminate duplicates D: 11 39.951 2.277 1.201 0.843 1.000 0.700 CB 1.877 E: 15 30.583 2.189 0.844 0.852 0.929 0.857 CB 1.613 15 residues pruned to eliminate duplicates F: 8 15.709 1.865 0.593 0.838 1.000 0.714 N 1.494 G: 75 47.855 2.159 0.892 0.551 0.878 0.649 CB 1.476 11 residues pruned to eliminate duplicates H: 15 26.626 2.007 0.668 0.895 1.000 0.786 CB 1.523 15 residues pruned to eliminate duplicates I: 16 26.612 2.073 1.089 0.797 0.867 0.733 CB 1.411 16 residues pruned to eliminate duplicates J: 20 18.223 2.021 0.778 0.456 0.842 0.526 CB 1.446 15 residues pruned to eliminate duplicates K: 10 28.698 2.328 0.664 0.823 1.000 0.889 CB 1.867 9 residues pruned to eliminate duplicates L: 19 25.042 2.107 0.701 0.744 0.889 0.556 CB 1.490 16 residues pruned to eliminate duplicates M: 12 22.687 2.134 0.935 0.844 0.909 0.727 CB 1.355 12 residues pruned to eliminate duplicates N: 23 18.100 2.009 0.741 0.651 0.909 0.773 CB 1.054 O: 17 16.244 2.031 0.111 0.833 0.938 0.812 CB 1.441 P: 7 10.579 1.971 0.308 0.712 0.833 0.833 O 1.659 7 residues pruned to eliminate duplicates Q: 9 19.294 1.960 1.072 0.794 0.875 0.750 CB 1.484 9 residues pruned to eliminate duplicates R: 37 29.854 2.093 0.914 0.541 0.778 0.472 CB 1.535 37 residues pruned to eliminate duplicates S: 11 38.508 2.252 1.225 0.906 1.000 0.800 CB 1.729 11 residues pruned to eliminate duplicates T: 23 29.165 2.001 0.736 0.836 0.955 0.727 CB 1.403 15 residues pruned to eliminate duplicates U: 21 7.794 1.794 0.460 0.326 0.800 0.650 CB 1.006 V: 10 33.734 2.318 0.922 0.848 1.000 0.778 CB 1.873 11 residues pruned to eliminate duplicates W: 21 21.600 2.047 0.443 0.794 0.950 0.750 CB 1.330 X: 14 29.352 2.068 0.754 0.917 1.000 0.692 CB 1.583 14 residues pruned to eliminate duplicates Y: 21 24.406 2.067 0.858 0.727 0.950 0.850 CB 1.218 23 residues pruned to eliminate duplicates Z: 12 10.359 1.745 0.755 0.388 0.909 0.364 CB 1.263 Z: 14 29.362 2.021 0.747 0.897 1.000 0.846 CB 1.651 14 residues pruned to eliminate duplicates Z: 7 6.649 1.908 0.286 0.563 0.833 0.500 CB 1.250 Z: 15 22.188 1.979 0.494 0.883 0.929 0.857 CA 1.562 15 residues pruned to eliminate duplicates Z: 47 28.032 2.066 0.610 0.563 0.913 0.630 CB 1.280 36 residues pruned to eliminate duplicates Z: 33 21.782 1.985 0.833 0.493 0.844 0.531 CB 1.263 Z: 8 8.977 1.745 0.006 0.850 1.000 1.000 N 1.433 8 residues pruned to eliminate duplicates Z: 12 16.141 1.725 0.535 0.848 0.909 0.818 O 1.500 Z: 12 25.764 2.072 0.682 0.888 1.000 1.000 CB 1.605 12 residues pruned to eliminate duplicates Z: 12 17.061 1.929 0.773 0.772 0.727 0.636 O 1.627 12 residues pruned to eliminate duplicates Z: 18 23.939 2.058 0.475 0.942 1.000 0.824 CB 1.327 17 residues pruned to eliminate duplicates Z: 14 30.866 2.073 0.792 0.939 1.000 1.000 CA 1.601 14 residues pruned to eliminate duplicates Z: 9 11.512 1.852 0.672 0.596 0.875 0.500 CB 1.371 9 residues pruned to eliminate duplicates Z: 11 28.883 2.016 0.926 0.889 1.000 0.800 N 1.694 11 residues pruned to eliminate duplicates Z: 20 12.535 2.004 0.350 0.643 0.947 0.684 CB 0.982 Z: 13 30.797 2.140 0.655 0.925 1.000 0.917 CB 1.761 13 residues pruned to eliminate duplicates Z: 19 30.724 2.128 1.077 0.677 1.000 0.722 CB 1.392 19 residues pruned to eliminate duplicates Z: 18 26.849 2.042 0.486 0.940 1.000 1.000 CB 1.490 Z: 7 17.510 2.130 0.886 0.659 1.000 0.833 CB 1.536 Z: 7 5.294 1.941 0.436 0.429 0.667 0.500 N 1.252 Z: 8 8.154 1.941 0.721 0.586 0.571 0.571 CB 1.487 8 residues pruned to eliminate duplicates Z: 11 20.335 1.945 0.673 0.817 1.000 0.900 CA 1.501 10 residues pruned to eliminate duplicates Z: 14 27.104 2.146 0.698 0.890 0.923 0.923 CB 1.608 14 residues pruned to eliminate duplicates Z: 52 34.453 2.073 0.842 0.538 0.902 0.490 CB 1.351 53 residues pruned to eliminate duplicates Z: 20 25.683 1.982 0.469 0.904 1.000 0.842 CB 1.441 18 residues pruned to eliminate duplicates Z: 13 28.893 2.015 1.028 0.883 0.917 0.667 CA 1.610 13 residues pruned to eliminate duplicates Z: 13 26.821 1.997 0.962 0.879 0.917 0.667 CB 1.563 13 residues pruned to eliminate duplicates Z: 12 23.565 1.795 0.866 0.893 1.000 0.909 CB 1.522 12 residues pruned to eliminate duplicates Z: 24 20.463 1.889 0.629 0.709 0.913 0.565 CB 1.257 24 residues pruned to eliminate duplicates Z: 18 30.322 2.043 0.698 0.938 1.000 1.000 CB 1.474 18 residues pruned to eliminate duplicates Z: 14 18.876 1.967 0.626 0.831 0.846 0.769 CB 1.454 14 residues pruned to eliminate duplicates Z: 8 10.917 1.898 0.600 0.678 0.857 0.714 CB 1.346 Z: 11 23.312 2.250 0.686 0.825 0.800 0.800 CB 1.832 11 residues pruned to eliminate duplicates Z: 13 21.834 2.030 0.847 0.863 1.000 0.667 CB 1.234 13 residues pruned to eliminate duplicates Z: 23 14.152 1.881 0.375 0.589 0.864 0.682 CB 1.240 20 residues pruned to eliminate duplicates Z: 12 24.244 2.075 0.982 0.872 0.909 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 8 6.021 1.886 0.758 0.524 0.857 0.857 CB 0.782 Z: 15 25.619 2.029 0.843 0.894 0.857 0.714 CB 1.533 15 residues pruned to eliminate duplicates Z: 47 22.119 2.015 0.549 0.417 0.913 0.630 CB 1.248 56 residues pruned to eliminate duplicates Z: 13 26.568 2.016 0.787 0.846 0.917 0.667 CA 1.726 13 residues pruned to eliminate duplicates Z: 50 34.154 2.038 0.950 0.450 0.878 0.490 CB 1.472 49 residues pruned to eliminate duplicates Z: 22 30.603 1.973 0.867 0.827 0.952 0.714 CB 1.434 22 residues pruned to eliminate duplicates Z: 7 5.212 1.536 0.633 0.396 0.833 0.667 CA 1.136 Z: 7 8.726 1.728 0.401 0.863 0.833 0.833 CA 1.296 Z: 18 32.273 2.004 1.070 0.895 1.000 0.706 CB 1.353 17 residues pruned to eliminate duplicates Z: 18 21.327 1.723 0.810 0.770 0.941 0.706 CA 1.388 18 residues pruned to eliminate duplicates Z: 16 18.249 1.734 0.550 0.777 1.000 0.667 CB 1.373 16 residues pruned to eliminate duplicates Z: 19 26.659 1.991 0.662 0.829 1.000 0.667 CB 1.428 19 residues pruned to eliminate duplicates Z: 9 10.403 1.703 0.627 0.649 1.000 0.625 CB 1.156 9 residues pruned to eliminate duplicates Z: 6 3.443 1.707 0.364 0.445 0.600 0.400 CB 1.167 Z: 12 16.985 1.854 0.514 0.769 1.000 0.727 CA 1.437 Z: 9 12.123 1.961 0.461 0.803 1.000 0.750 CB 1.149 9 residues pruned to eliminate duplicates Z: 53 33.547 2.066 0.729 0.556 0.904 0.615 CB 1.364 23 residues pruned to eliminate duplicates Z: 51 47.242 2.157 0.881 0.666 0.960 0.640 CB 1.472 46 residues pruned to eliminate duplicates Z: 11 23.515 1.906 0.671 0.892 1.000 0.900 O 1.677 11 residues pruned to eliminate duplicates Z: 22 15.428 1.896 0.657 0.615 0.905 0.667 CB 1.063 22 residues pruned to eliminate duplicates Z: 21 23.194 2.052 0.785 0.724 0.900 0.750 CB 1.285 21 residues pruned to eliminate duplicates Z: 13 24.621 1.955 0.971 0.906 1.000 0.833 CB 1.311 13 residues pruned to eliminate duplicates Z: 8 7.538 1.960 0.319 0.549 0.857 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 58 24.594 1.953 0.668 0.384 0.877 0.579 CB 1.290 33 residues pruned to eliminate duplicates Z: 18 14.740 1.940 0.871 0.657 0.647 0.412 CB 1.315 18 residues pruned to eliminate duplicates Z: 26 13.900 1.831 0.614 0.341 0.920 0.600 CB 1.216 27 residues pruned to eliminate duplicates Z: 12 16.363 1.729 0.606 0.805 1.000 0.727 CB 1.362 12 residues pruned to eliminate duplicates Z: 21 19.336 2.016 0.670 0.742 0.850 0.800 CB 1.216 21 residues pruned to eliminate duplicates Z: 22 29.538 2.087 0.643 0.793 1.000 0.762 CB 1.453 22 residues pruned to eliminate duplicates Z: 18 15.972 2.168 0.507 0.650 0.765 0.588 CB 1.349 18 residues pruned to eliminate duplicates Z: 15 16.960 1.871 0.767 0.530 0.929 0.643 CB 1.434 Z: 21 25.473 2.040 0.489 0.860 0.950 0.900 CB 1.451 21 residues pruned to eliminate duplicates Z: 19 32.390 2.042 0.735 0.926 1.000 0.889 CB 1.511 19 residues pruned to eliminate duplicates Z: 6 8.563 1.832 0.688 0.797 0.800 0.800 N 1.194 Z: 17 27.926 2.052 0.831 0.918 1.000 1.000 CB 1.311 17 residues pruned to eliminate duplicates Z: 21 23.386 2.074 0.516 0.759 0.950 0.750 CB 1.390 21 residues pruned to eliminate duplicates Z: 14 30.609 2.180 0.756 0.895 1.000 1.000 CB 1.591 14 residues pruned to eliminate duplicates Z: 19 30.887 1.951 1.047 0.843 1.000 0.722 CB 1.358 19 residues pruned to eliminate duplicates Z: 10 11.718 1.659 0.709 0.720 0.889 0.444 CB 1.271 10 residues pruned to eliminate duplicates Z: 14 24.463 1.953 0.918 0.878 0.923 0.692 CB 1.423 14 residues pruned to eliminate duplicates Z: 9 3.702 1.640 0.576 0.262 0.500 0.375 CB 1.330 Z: 10 29.719 2.136 1.250 0.890 0.889 0.556 N 1.668 10 residues pruned to eliminate duplicates Z: 17 19.876 1.806 0.590 0.771 0.938 0.625 CB 1.452 12 residues pruned to eliminate duplicates Z: 19 27.539 2.011 0.857 0.918 1.000 0.833 CB 1.226 19 residues pruned to eliminate duplicates Z: 14 31.912 2.052 0.928 0.902 1.000 0.769 CA 1.596 14 residues pruned to eliminate duplicates Z: 107 51.453 2.069 0.899 0.568 0.925 0.613 CB 1.289 107 residues pruned to eliminate duplicates Z: 18 30.343 2.041 0.932 0.902 0.941 0.765 CB 1.415 18 residues pruned to eliminate duplicates Z: 11 10.102 1.951 0.796 0.409 0.700 0.500 CB 1.433 5 residues pruned to eliminate duplicates Z: 12 18.263 2.061 0.582 0.856 0.909 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 34 27.401 2.053 0.645 0.493 0.879 0.636 CB 1.618 34 residues pruned to eliminate duplicates Z: 20 17.596 1.726 0.443 0.772 0.895 0.632 CB 1.424 21 residues pruned to eliminate duplicates Z: 15 28.137 1.964 1.078 0.915 0.929 0.643 CB 1.402 15 residues pruned to eliminate duplicates Z: 21 10.354 1.792 0.536 0.395 0.750 0.500 CB 1.253 30 residues pruned to eliminate duplicates Z: 13 13.407 1.782 0.509 0.788 0.917 0.750 CB 1.219 Z: 51 45.205 2.131 0.918 0.672 0.940 0.620 CB 1.419 51 residues pruned to eliminate duplicates Z: 15 33.758 2.115 1.060 0.857 0.929 0.714 CB 1.642 15 residues pruned to eliminate duplicates Z: 61 30.158 1.939 0.716 0.500 0.867 0.433 CB 1.350 70 residues pruned to eliminate duplicates Z: 23 30.487 2.228 0.766 0.632 0.909 0.773 CB 1.606 23 residues pruned to eliminate duplicates Z: 7 7.252 2.058 0.415 0.647 0.667 0.667 CB 1.329 7 residues pruned to eliminate duplicates Z: 19 27.335 1.971 0.794 0.818 0.944 0.889 CB 1.464 19 residues pruned to eliminate duplicates Z: 15 29.971 2.061 0.741 0.902 1.000 0.929 CB 1.593 15 residues pruned to eliminate duplicates Z: 20 23.121 1.939 0.546 0.837 0.947 0.789 CB 1.396 20 residues pruned to eliminate duplicates Z: 20 25.045 1.971 0.487 0.875 1.000 0.737 CB 1.427 20 residues pruned to eliminate duplicates Z: 12 24.623 1.957 0.884 0.848 1.000 0.818 CB 1.493 12 residues pruned to eliminate duplicates Z: 27 31.097 2.139 1.073 0.489 0.808 0.500 CB 1.723 27 residues pruned to eliminate duplicates Z: 17 18.730 1.939 0.612 0.774 1.000 0.875 CB 1.176 Z: 28 13.875 1.830 0.500 0.443 0.852 0.593 CB 1.211 23 residues pruned to eliminate duplicates Z: 52 44.340 2.159 0.849 0.591 0.902 0.647 CB 1.581 52 residues pruned to eliminate duplicates Z: 21 27.248 2.039 0.736 0.833 0.950 0.800 CB 1.359 21 residues pruned to eliminate duplicates Z: 9 23.747 2.336 0.703 0.872 0.875 0.875 CB 1.757 9 residues pruned to eliminate duplicates Z: 13 17.925 1.862 0.760 0.834 0.917 0.833 CB 1.291 13 residues pruned to eliminate duplicates Z: 15 16.670 1.844 0.841 0.824 0.929 0.786 CB 1.067 15 residues pruned to eliminate duplicates Z: 12 6.902 1.725 0.741 0.483 0.727 0.455 CB 0.970 7 residues pruned to eliminate duplicates Z: 20 26.704 2.040 0.659 0.852 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 6 8.963 2.013 0.573 0.632 0.800 0.800 CB 1.398 Z: 10 11.992 2.124 0.860 0.471 0.889 0.778 CB 1.172 7 residues pruned to eliminate duplicates Z: 50 21.559 1.980 0.627 0.410 0.857 0.612 CB 1.225 49 residues pruned to eliminate duplicates Z: 17 21.022 1.802 0.731 0.782 0.938 0.750 CB 1.402 17 residues pruned to eliminate duplicates Z: 14 32.485 2.059 1.017 0.911 1.000 0.769 CA 1.538 14 residues pruned to eliminate duplicates Z: 19 32.686 2.014 0.834 0.917 1.000 0.944 CB 1.471 19 residues pruned to eliminate duplicates Z: 14 33.073 2.093 0.843 0.929 1.000 1.000 CB 1.665 14 residues pruned to eliminate duplicates Z: 20 32.139 1.902 0.998 0.889 1.000 0.579 CB 1.397 20 residues pruned to eliminate duplicates Z: 16 26.403 1.927 1.040 0.864 0.867 0.867 CB 1.467 16 residues pruned to eliminate duplicates Z: 8 12.599 1.778 0.412 0.782 1.000 0.714 O 1.479 8 residues pruned to eliminate duplicates Z: 8 12.951 1.937 0.266 0.897 1.000 0.857 CB 1.429 8 residues pruned to eliminate duplicates Z: 107 38.852 1.978 0.593 0.530 0.934 0.642 CB 1.245 111 residues pruned to eliminate duplicates Z: 10 10.995 1.622 0.932 0.765 1.000 0.556 N 0.924 10 residues pruned to eliminate duplicates Z: 6 6.811 1.850 0.550 0.755 0.800 0.600 CB 1.058 Z: 24 11.291 1.841 0.592 0.402 0.826 0.565 CB 1.079 24 residues pruned to eliminate duplicates Z: 7 11.849 1.591 0.709 0.762 1.000 0.333 O 1.409 7 residues pruned to eliminate duplicates Z: 12 17.606 1.875 0.765 0.829 0.909 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 53 42.427 2.131 0.964 0.523 0.885 0.519 CB 1.554 53 residues pruned to eliminate duplicates Z: 50 44.486 2.136 0.896 0.684 0.939 0.633 CB 1.412 50 residues pruned to eliminate duplicates Z: 18 28.800 2.133 0.733 0.698 0.941 0.941 CB 1.676 18 residues pruned to eliminate duplicates 6 0.845 1.578 -0.032 0.345 0.400 0.400 N 0.732 ? Z: 34 15.887 1.878 0.642 0.426 0.879 0.545 CB 1.103 38 residues pruned to eliminate duplicates Z: 12 15.101 1.777 0.252 0.891 1.000 0.909 CB 1.471 12 residues pruned to eliminate duplicates Z: 16 18.682 1.816 0.669 0.894 1.000 0.800 CB 1.142 15 residues pruned to eliminate duplicates Z: 7 3.271 1.769 0.894 0.358 0.333 0.333 CA 1.394 Z: 12 17.964 1.657 0.677 0.847 1.000 0.909 CB 1.447 Z: 14 11.854 1.561 0.641 0.710 0.846 0.615 CB 1.253 14 residues pruned to eliminate duplicates Z: 10 7.224 1.729 0.477 0.690 0.667 0.556 CB 1.188 10 residues pruned to eliminate duplicates Z: 19 24.265 1.971 0.797 0.857 0.944 0.667 CB 1.259 19 residues pruned to eliminate duplicates Z: 8 4.880 1.703 0.927 0.262 0.714 0.429 CB 1.033 Z: 39 26.809 2.003 0.666 0.613 0.895 0.605 CB 1.309 39 residues pruned to eliminate duplicates Z: 12 12.582 2.049 0.699 0.397 0.818 0.727 CB 1.485 12 residues pruned to eliminate duplicates Z: 10 13.185 1.799 0.646 0.816 0.778 0.556 N 1.450 10 residues pruned to eliminate duplicates Z: 10 18.043 1.858 0.669 0.904 1.000 0.889 CB 1.382 10 residues pruned to eliminate duplicates Z: 12 17.342 1.820 0.722 0.890 1.000 0.727 CB 1.200 Z: 7 4.282 1.826 0.742 0.222 0.667 0.167 CB 1.142 Z: 21 23.906 2.037 0.735 0.776 0.900 0.700 CB 1.317 21 residues pruned to eliminate duplicates Z: 9 13.612 1.822 0.862 0.659 0.875 0.625 CB 1.400 9 residues pruned to eliminate duplicates Z: 8 8.102 1.776 0.511 0.634 0.857 0.571 CA 1.175 8 residues pruned to eliminate duplicates Z: 11 12.667 1.981 0.592 0.493 0.900 0.600 CB 1.421 11 residues pruned to eliminate duplicates Z: 6 10.970 1.959 1.174 0.651 1.000 0.600 CB 1.001 6 residues pruned to eliminate duplicates Z: 6 4.832 1.743 0.651 0.348 0.600 0.600 O 1.476 Z: 23 19.715 1.919 0.784 0.733 0.864 0.682 CB 1.154 23 residues pruned to eliminate duplicates Z: 13 25.355 1.907 1.023 0.924 1.000 0.750 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 22.131 2.186 0.528 0.900 1.000 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 10 3.674 1.952 0.014 0.368 0.889 0.778 CB 0.801 10 residues pruned to eliminate duplicates Z: 22 13.013 1.897 0.561 0.442 0.857 0.571 CB 1.187 22 residues pruned to eliminate duplicates Z: 19 27.782 1.999 0.699 0.914 1.000 0.833 CB 1.363 19 residues pruned to eliminate duplicates Z: 38 30.901 2.007 0.789 0.637 0.919 0.703 CB 1.355 38 residues pruned to eliminate duplicates Z: 21 26.096 2.040 0.729 0.805 0.950 0.650 CB 1.334 21 residues pruned to eliminate duplicates Z: 6 9.794 1.972 1.064 0.741 0.800 0.800 CB 1.084 6 residues pruned to eliminate duplicates Z: 13 15.172 1.887 0.358 0.885 0.917 0.750 CB 1.347 13 residues pruned to eliminate duplicates Z: 13 23.069 2.208 0.643 0.727 0.917 0.667 CB 1.633 13 residues pruned to eliminate duplicates Z: 13 20.483 1.911 0.733 0.915 1.000 0.917 CB 1.262 13 residues pruned to eliminate duplicates Z: 6 13.577 1.970 0.820 0.782 1.000 0.600 CB 1.321 6 residues pruned to eliminate duplicates Z: 20 21.905 2.035 0.910 0.776 0.947 0.789 CB 1.070 20 residues pruned to eliminate duplicates Z: 43 40.069 2.032 0.806 0.740 1.000 0.714 CB 1.358 43 residues pruned to eliminate duplicates Z: 57 31.188 2.002 0.640 0.528 0.929 0.679 CB 1.330 57 residues pruned to eliminate duplicates Z: 6 3.396 2.064 0.192 0.813 0.800 0.600 CB 0.588 Z: 15 13.899 1.825 0.631 0.871 0.929 0.857 CB 0.980 15 residues pruned to eliminate duplicates Z: 7 9.843 1.872 0.238 0.832 0.833 0.833 N 1.562 7 residues pruned to eliminate duplicates Z: 15 13.775 1.817 0.532 0.908 0.929 0.929 CB 1.012 15 residues pruned to eliminate duplicates Z: 20 21.608 1.887 0.564 0.825 1.000 0.737 CB 1.267 20 residues pruned to eliminate duplicates Z: 7 3.236 1.501 0.313 0.283 0.833 0.333 CB 1.028 Z: 12 7.551 1.850 0.550 0.361 0.909 0.636 CB 1.014 12 residues pruned to eliminate duplicates Z: 12 17.553 2.048 0.688 0.862 1.000 0.727 CB 1.124 12 residues pruned to eliminate duplicates Z: 7 9.691 1.927 0.627 0.696 0.667 0.500 CB 1.584 7 residues pruned to eliminate duplicates Z: 14 18.735 1.815 0.885 0.888 1.000 0.769 CB 1.094 14 residues pruned to eliminate duplicates Z: 25 12.290 1.930 0.434 0.407 0.792 0.583 CB 1.262 25 residues pruned to eliminate duplicates Z: 21 25.876 1.909 0.776 0.857 0.950 0.750 CB 1.323 21 residues pruned to eliminate duplicates Z: 12 8.759 1.869 0.418 0.574 0.818 0.636 CB 1.134 12 residues pruned to eliminate duplicates Z: 9 12.392 1.720 0.283 0.851 1.000 0.875 N 1.469 9 residues pruned to eliminate duplicates Z: 49 31.125 1.948 0.761 0.637 0.896 0.562 CB 1.285 49 residues pruned to eliminate duplicates Z: 13 18.900 1.890 0.473 0.923 1.000 0.917 CB 1.378 13 residues pruned to eliminate duplicates Z: 31 22.554 2.036 0.791 0.551 0.867 0.600 CB 1.240 31 residues pruned to eliminate duplicates Z: 11 6.049 1.515 0.669 0.330 0.800 0.600 N 1.139 11 residues pruned to eliminate duplicates Z: 14 8.172 1.847 0.606 0.421 0.846 0.462 CB 0.981 14 residues pruned to eliminate duplicates Z: 11 9.709 1.804 0.675 0.354 1.000 0.700 N 1.189 Z: 18 34.491 1.993 1.025 0.905 1.000 0.824 CB 1.475 18 residues pruned to eliminate duplicates Z: 8 5.007 1.644 0.377 0.358 0.714 0.571 N 1.364 Z: 11 12.247 1.831 0.494 0.814 1.000 0.800 CB 1.078 6 residues pruned to eliminate duplicates Z: 8 12.260 1.743 0.591 0.661 1.000 0.714 N 1.440 8 residues pruned to eliminate duplicates Z: 7 5.051 1.564 0.835 0.402 0.833 0.667 CA 0.956 Z: 16 18.071 1.790 0.548 0.749 1.000 0.667 CB 1.348 16 residues pruned to eliminate duplicates Z: 9 3.440 1.656 0.556 0.310 0.625 0.375 N 0.933 Z: 27 26.583 2.055 0.964 0.619 0.808 0.577 CB 1.429 27 residues pruned to eliminate duplicates Z: 13 25.888 1.998 1.267 0.929 0.917 0.917 CB 1.260 13 residues pruned to eliminate duplicates Z: 29 10.891 1.884 0.355 0.329 0.750 0.464 CB 1.297 29 residues pruned to eliminate duplicates Z: 11 19.631 1.906 1.266 0.845 0.900 0.700 CB 1.188 11 residues pruned to eliminate duplicates Z: 6 2.480 1.659 0.485 0.286 0.800 0.600 CB 0.716 Z: 7 2.401 1.547 0.376 0.275 0.500 0.333 O 1.189 Z: 13 22.119 1.993 0.940 0.924 0.917 0.667 CB 1.265 13 residues pruned to eliminate duplicates Z: 35 13.721 1.775 0.476 0.415 0.912 0.529 CB 1.077 31 residues pruned to eliminate duplicates Z: 19 27.232 2.185 0.709 0.727 0.889 0.500 CB 1.576 19 residues pruned to eliminate duplicates Z: 12 11.270 1.893 0.926 0.443 0.818 0.727 CB 1.207 22 residues pruned to eliminate duplicates Z: 12 27.215 2.045 1.157 0.922 1.000 0.909 CB 1.308 12 residues pruned to eliminate duplicates Z: 13 30.186 1.969 1.107 0.903 1.000 0.917 CB 1.498 13 residues pruned to eliminate duplicates Z: 36 38.180 2.088 0.917 0.677 0.971 0.686 CB 1.410 36 residues pruned to eliminate duplicates Z: 21 28.145 2.048 0.754 0.831 0.950 0.750 CB 1.386 21 residues pruned to eliminate duplicates Z: 9 13.026 1.945 0.464 0.739 0.875 0.750 CA 1.492 9 residues pruned to eliminate duplicates Z: 26 22.743 1.994 0.494 0.603 0.960 0.720 CB 1.442 26 residues pruned to eliminate duplicates Z: 20 8.531 1.805 0.499 0.310 0.842 0.526 CB 1.059 20 residues pruned to eliminate duplicates Z: 19 25.136 1.874 0.788 0.904 1.000 0.944 CB 1.259 19 residues pruned to eliminate duplicates Z: 42 32.563 2.092 0.756 0.568 0.902 0.634 CB 1.437 42 residues pruned to eliminate duplicates Z: 9 12.594 1.771 0.427 0.908 1.000 1.000 CB 1.251 9 residues pruned to eliminate duplicates Z: 21 12.925 1.943 0.259 0.780 0.900 0.750 CB 1.026 21 residues pruned to eliminate duplicates Z: 11 3.294 1.792 0.171 0.296 0.600 0.400 CB 1.039 Z: 7 9.539 1.892 0.334 0.712 1.000 0.833 CB 1.273 7 residues pruned to eliminate duplicates Z: 9 14.047 1.979 0.571 0.701 0.875 0.500 CB 1.520 9 residues pruned to eliminate duplicates Z: 13 18.568 1.848 0.662 0.886 0.917 0.667 CB 1.373 13 residues pruned to eliminate duplicates Z: 6 2.315 1.791 0.933 0.644 1.000 0.800 CB 0.262 Z: 40 27.348 2.046 0.625 0.608 0.949 0.667 CB 1.253 40 residues pruned to eliminate duplicates Z: 17 28.310 2.029 0.739 0.909 1.000 0.750 CB 1.424 17 residues pruned to eliminate duplicates Z: 15 14.945 1.921 0.663 0.876 0.857 0.857 CB 1.061 15 residues pruned to eliminate duplicates Z: 53 38.893 2.084 0.907 0.655 0.942 0.500 CB 1.246 53 residues pruned to eliminate duplicates Z: 11 19.299 1.840 0.720 0.822 0.900 0.800 N 1.620 11 residues pruned to eliminate duplicates Z: 55 34.577 2.041 0.720 0.601 0.907 0.667 CB 1.342 54 residues pruned to eliminate duplicates Z: 30 27.965 2.045 0.673 0.618 0.966 0.690 CB 1.405 30 residues pruned to eliminate duplicates 6 1.884 1.464 0.089 0.390 0.600 0.600 CB 0.990 ? Z: 9 4.708 1.653 0.644 0.827 1.000 0.500 CB 0.462 6 residues pruned to eliminate duplicates Z: 11 22.729 2.008 0.827 0.761 1.000 0.600 CB 1.553 11 residues pruned to eliminate duplicates Z: 6 3.037 1.482 0.529 0.299 0.600 0.400 O 1.250 5 residues pruned to eliminate duplicates Z: 6 3.659 1.505 0.124 0.663 0.800 0.400 CB 1.039 Z: 12 11.660 1.889 0.856 0.451 0.909 0.636 CB 1.160 12 residues pruned to eliminate duplicates Z: 6 9.937 1.971 0.543 0.689 0.800 0.600 CB 1.537 Z: 13 9.629 1.767 0.451 0.744 0.833 0.583 CB 1.046 13 residues pruned to eliminate duplicates Z: 9 2.910 1.722 0.203 0.184 0.625 0.375 CB 1.162 7 residues pruned to eliminate duplicates Z: 28 26.710 2.063 0.928 0.518 0.926 0.704 CB 1.371 28 residues pruned to eliminate duplicates Z: 9 6.452 1.698 0.589 0.355 0.875 0.625 CB 1.129 9 residues pruned to eliminate duplicates Z: 10 16.627 1.741 0.844 0.785 1.000 0.444 CA 1.343 10 residues pruned to eliminate duplicates Z: 12 20.112 1.806 0.642 0.882 0.909 0.909 O 1.627 12 residues pruned to eliminate duplicates Z: 21 18.852 1.944 0.641 0.764 0.850 0.650 CB 1.230 21 residues pruned to eliminate duplicates 7 1.936 1.552 0.519 0.498 0.667 0.500 CB 0.504 ? Z: 6 4.842 1.759 0.464 0.469 0.600 0.600 N 1.446 Z: 21 24.326 2.064 0.579 0.828 0.950 0.850 CB 1.323 21 residues pruned to eliminate duplicates Z: 6 12.094 1.931 0.753 0.844 1.000 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 6 3.451 1.780 0.848 0.851 1.000 0.800 CB 0.347 Z: 12 11.477 1.863 0.632 0.800 0.818 0.545 CB 1.070 12 residues pruned to eliminate duplicates Z: 62 47.060 2.125 0.908 0.601 0.918 0.623 CB 1.470 62 residues pruned to eliminate duplicates Z: 8 2.790 1.574 0.491 0.831 1.000 0.857 CB 0.338 Z: 8 4.473 1.838 0.527 0.431 0.714 0.429 CB 0.906 Z: 37 15.712 1.890 0.457 0.439 0.889 0.528 CB 1.139 37 residues pruned to eliminate duplicates Z: 7 9.306 1.995 0.610 0.713 0.833 0.667 CB 1.170 7 residues pruned to eliminate duplicates Z: 19 17.293 1.755 0.476 0.799 0.889 0.611 CB 1.363 25 residues pruned to eliminate duplicates Z: 9 5.185 1.735 0.430 0.498 1.000 0.625 CB 0.741 12 residues pruned to eliminate duplicates Z: 11 12.097 1.822 0.335 0.875 1.000 0.800 CB 1.144 11 residues pruned to eliminate duplicates Z: 22 22.091 2.022 0.745 0.628 0.905 0.810 CB 1.338 22 residues pruned to eliminate duplicates Z: 9 10.893 1.757 0.500 0.669 1.000 0.750 N 1.250 9 residues pruned to eliminate duplicates Z: 8 6.369 1.777 0.481 0.420 0.857 0.429 CB 1.160 8 residues pruned to eliminate duplicates Z: 10 3.616 1.791 0.422 0.367 0.667 0.444 CB 0.819 6 residues pruned to eliminate duplicates Z: 6 6.413 1.721 0.216 0.779 1.000 0.600 CB 1.071 Z: 52 32.981 2.049 0.690 0.605 0.922 0.471 CB 1.309 53 residues pruned to eliminate duplicates Z: 7 4.343 1.946 -0.022 0.877 1.000 1.000 CB 0.676 Z: 53 44.971 2.112 0.914 0.623 0.962 0.654 CB 1.428 53 residues pruned to eliminate duplicates Z: 30 24.047 1.989 0.917 0.582 0.897 0.724 CB 1.207 30 residues pruned to eliminate duplicates Z: 43 23.478 1.999 0.613 0.412 0.905 0.690 CB 1.361 43 residues pruned to eliminate duplicates Z: 8 13.564 1.986 0.951 0.610 1.000 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 10 18.371 1.871 0.641 0.821 1.000 0.778 CB 1.509 10 residues pruned to eliminate duplicates Z: 21 27.929 1.877 0.871 0.870 1.000 0.650 CB 1.298 21 residues pruned to eliminate duplicates Z: 6 5.512 1.874 0.330 0.570 0.800 0.800 CB 1.155 6 residues pruned to eliminate duplicates 6 1.370 1.611 0.200 0.612 0.600 0.400 CB 0.475 ? Z: 14 21.813 1.733 0.963 0.858 1.000 0.615 CB 1.309 14 residues pruned to eliminate duplicates Z: 6 2.667 1.528 0.496 0.281 0.600 0.600 CB 1.113 Z: 12 15.884 1.837 0.572 0.899 1.000 0.909 CB 1.185 12 residues pruned to eliminate duplicates Z: 8 5.128 1.608 0.565 0.421 1.000 0.429 CB 0.836 8 residues pruned to eliminate duplicates Z: 7 3.893 1.437 0.563 0.349 0.667 0.500 O 1.250 Z: 17 18.150 1.838 0.620 0.701 0.875 0.625 CB 1.450 17 residues pruned to eliminate duplicates Z: 11 13.849 2.012 0.202 0.914 1.000 0.900 CB 1.281 11 residues pruned to eliminate duplicates Z: 16 8.578 1.765 0.667 0.398 0.800 0.467 CB 1.048 16 residues pruned to eliminate duplicates Z: 17 23.011 2.072 0.353 0.922 1.000 0.938 CB 1.443 17 residues pruned to eliminate duplicates Z: 20 17.235 1.726 0.496 0.769 0.947 0.632 CB 1.273 20 residues pruned to eliminate duplicates Z: 50 25.563 1.890 0.641 0.597 0.898 0.490 CB 1.195 50 residues pruned to eliminate duplicates Z: 9 6.912 1.671 0.259 0.610 0.875 0.750 CB 1.196 Z: 6 2.311 1.995 -0.005 0.100 0.800 0.200 CB 1.085 6 residues pruned to eliminate duplicates Z: 6 8.761 1.829 0.769 0.659 0.800 0.600 CB 1.307 6 residues pruned to eliminate duplicates Z: 13 8.242 1.790 0.348 0.350 0.917 0.500 CB 1.265 13 residues pruned to eliminate duplicates Z: 8 7.412 2.011 0.203 0.346 1.000 0.429 CB 1.369 8 residues pruned to eliminate duplicates Z: 9 27.036 2.104 0.806 0.871 1.000 0.875 CA 1.835 9 residues pruned to eliminate duplicates Z: 10 15.013 1.938 0.712 0.871 1.000 0.667 CB 1.100 10 residues pruned to eliminate duplicates Z: 9 3.037 1.682 0.732 0.194 0.500 0.375 CB 1.062 Z: 7 11.095 1.666 0.777 0.784 1.000 0.833 CA 1.192 Z: 14 20.658 2.079 0.410 0.899 1.000 0.923 CB 1.398 14 residues pruned to eliminate duplicates Z: 12 17.372 1.667 0.823 0.877 1.000 0.818 CB 1.252 12 residues pruned to eliminate duplicates Z: 11 27.293 2.166 0.889 0.784 1.000 0.500 N 1.643 11 residues pruned to eliminate duplicates Z: 12 6.500 1.825 0.812 0.854 0.909 0.818 CB 0.482 Z: 39 27.667 2.006 0.633 0.608 0.868 0.474 CB 1.424 39 residues pruned to eliminate duplicates Z: 7 2.391 1.121 0.590 0.427 1.000 0.333 CB 0.591 Z: 13 23.245 1.993 1.146 0.896 1.000 0.833 CB 1.123 13 residues pruned to eliminate duplicates Z: 93 50.320 2.062 0.808 0.610 0.891 0.685 CB 1.423 143 residues pruned to eliminate duplicates Z: 53 24.354 2.006 0.509 0.446 0.923 0.692 CB 1.278 61 residues pruned to eliminate duplicates Z: 16 18.527 2.061 0.562 0.738 0.933 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 63 32.592 2.010 0.786 0.558 0.935 0.629 CB 1.164 62 residues pruned to eliminate duplicates Z: 11 13.334 1.885 0.480 0.840 1.000 0.500 CB 1.128 11 residues pruned to eliminate duplicates Z: 6 3.463 1.553 1.002 0.344 0.600 0.400 N 0.984 Z: 19 15.372 2.015 0.729 0.393 0.833 0.611 CB 1.397 19 residues pruned to eliminate duplicates Z: 22 25.307 2.033 0.706 0.792 0.952 0.476 CB 1.294 22 residues pruned to eliminate duplicates Z: 14 12.391 1.862 0.475 0.828 0.846 0.769 CB 1.114 14 residues pruned to eliminate duplicates Z: 9 5.942 1.589 0.321 0.439 0.875 0.625 O 1.218 9 residues pruned to eliminate duplicates Z: 6 8.326 1.492 1.253 0.673 0.800 0.800 CB 1.180 6 residues pruned to eliminate duplicates Z: 13 26.695 2.042 0.978 0.860 1.000 0.833 CB 1.402 13 residues pruned to eliminate duplicates Z: 12 9.670 1.843 0.421 0.739 0.818 0.636 CB 1.098 12 residues pruned to eliminate duplicates Z: 10 15.426 1.637 0.816 0.870 1.000 0.778 CB 1.263 Z: 20 22.826 2.036 0.892 0.572 0.895 0.632 CB 1.417 Z: 13 18.264 1.908 0.724 0.864 0.917 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 10 11.112 1.941 0.472 0.761 0.889 0.556 CB 1.156 10 residues pruned to eliminate duplicates Z: 6 5.391 1.629 0.241 0.756 1.000 0.800 CB 0.950 Z: 77 37.783 2.024 0.633 0.542 0.895 0.618 CB 1.406 77 residues pruned to eliminate duplicates Z: 9 6.100 1.679 0.979 0.444 0.875 0.500 CB 0.786 9 residues pruned to eliminate duplicates Z: 9 11.986 1.883 0.927 0.906 0.875 0.625 CB 0.949 19 residues pruned to eliminate duplicates Z: 17 20.969 1.814 0.769 0.734 0.938 0.625 CB 1.412 17 residues pruned to eliminate duplicates Z: 12 9.154 1.682 0.291 0.814 0.909 0.455 CB 1.064 12 residues pruned to eliminate duplicates Z: 14 8.426 1.877 0.809 0.803 0.846 0.615 CB 0.624 12 residues pruned to eliminate duplicates Z: 11 2.879 1.414 0.499 0.216 0.700 0.500 CB 0.856 Z: 7 3.997 1.641 0.580 0.587 0.833 0.667 CB 0.694 Z: 15 12.872 1.814 0.483 0.840 0.929 0.714 CB 1.028 15 residues pruned to eliminate duplicates Z: 15 16.918 1.877 0.391 0.746 1.000 0.643 CB 1.389 15 residues pruned to eliminate duplicates Z: 19 20.134 1.787 0.542 0.783 0.944 0.833 CB 1.421 19 residues pruned to eliminate duplicates Z: 12 15.838 1.808 0.672 0.853 1.000 0.636 CB 1.168 12 residues pruned to eliminate duplicates Z: 6 3.246 1.707 -0.170 0.432 1.000 0.200 N 1.099 6 1.703 1.450 0.549 0.299 0.800 0.600 CB 0.531 ? Z: 6 2.439 1.380 0.296 0.635 0.600 0.600 CB 0.895 Z: 7 4.588 1.455 0.555 0.354 0.833 0.500 O 1.164 Z: 11 3.671 1.431 0.516 0.313 0.700 0.400 CB 0.940 Z: 6 4.197 1.694 0.368 0.417 0.800 0.800 CB 1.103 12 residues pruned to eliminate duplicates Z: 9 2.714 1.790 0.501 0.767 0.750 0.750 CB 0.376 Z: 8 4.765 1.262 1.091 0.483 0.714 0.571 N 0.972 Z: 14 9.385 1.719 0.507 0.542 0.769 0.538 CB 1.254 14 residues pruned to eliminate duplicates Z: 7 4.624 1.669 0.062 0.580 0.833 0.333 CB 1.183 Z: 22 9.125 1.587 0.560 0.480 0.810 0.429 CB 1.013 13 residues pruned to eliminate duplicates Z: 9 3.798 1.612 0.404 0.334 0.625 0.500 CB 1.139 Z: 6 2.697 1.427 0.265 0.529 0.800 0.600 CB 0.812 Z: 16 16.066 1.656 0.936 0.774 0.933 0.600 CB 1.088 13 residues pruned to eliminate duplicates Z: 46 36.264 2.061 0.793 0.544 0.889 0.622 CB 1.575 46 residues pruned to eliminate duplicates Z: 33 23.207 1.911 0.846 0.600 0.906 0.625 CB 1.167 33 residues pruned to eliminate duplicates Z: 21 15.482 2.037 0.640 0.394 0.750 0.450 CB 1.547 21 residues pruned to eliminate duplicates Z: 6 3.209 1.412 0.057 0.600 0.800 0.800 C 1.094 Z: 28 13.275 1.689 0.710 0.422 0.852 0.593 CB 1.127 28 residues pruned to eliminate duplicates Z: 44 39.804 2.120 0.702 0.745 0.907 0.628 CB 1.490 30 residues pruned to eliminate duplicates Z: 19 9.072 1.871 0.492 0.301 0.889 0.444 CB 1.076 19 residues pruned to eliminate duplicates Z: 24 14.572 1.958 0.528 0.409 0.957 0.391 CB 1.169 24 residues pruned to eliminate duplicates Z: 17 20.663 1.931 0.703 0.755 1.000 0.812 CB 1.252 17 residues pruned to eliminate duplicates Z: 12 21.540 1.805 1.011 0.880 1.000 1.000 CB 1.297 12 residues pruned to eliminate duplicates Z: 34 26.914 1.916 0.680 0.602 0.909 0.576 CB 1.453 34 residues pruned to eliminate duplicates Z: 6 3.268 1.301 0.733 0.782 1.000 0.400 CB 0.506 Z: 6 13.669 2.061 1.164 0.837 1.000 1.000 CB 1.025 6 residues pruned to eliminate duplicates Z: 14 20.000 1.808 1.122 0.897 0.923 0.846 CB 1.121 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.945 1.860 0.597 0.779 1.000 0.667 CB 0.639 6 residues pruned to eliminate duplicates Z: 11 9.905 1.666 0.668 0.818 1.000 0.900 CB 0.855 10 residues pruned to eliminate duplicates Z: 8 7.172 1.866 0.626 0.796 0.857 0.857 CB 0.804 8 residues pruned to eliminate duplicates Z: 10 5.659 1.740 0.690 0.884 1.000 0.778 CB 0.463 10 residues pruned to eliminate duplicates Z: 11 7.108 1.716 0.895 0.581 0.900 0.600 CB 0.710 11 residues pruned to eliminate duplicates Z: 10 5.349 1.813 0.709 0.689 0.889 0.556 CB 0.545 10 residues pruned to eliminate duplicates Z: 10 4.782 1.701 0.781 0.760 0.889 0.889 CB 0.470 10 residues pruned to eliminate duplicates Z: 7 4.418 1.747 0.571 0.824 1.000 0.833 CB 0.496 7 residues pruned to eliminate duplicates Z: 6 10.203 2.020 0.648 0.621 1.000 0.600 CB 1.223 9 residues pruned to eliminate duplicates Z: 6 3.643 1.634 0.778 0.291 0.600 0.600 O 1.182 6 residues pruned to eliminate duplicates Z: 8 9.441 1.897 0.697 0.706 0.857 0.714 CB 1.073 7 residues pruned to eliminate duplicates Z: 23 19.232 1.736 0.579 0.703 0.864 0.591 CB 1.440 23 residues pruned to eliminate duplicates Z: 43 25.049 1.978 0.558 0.606 0.857 0.548 CB 1.323 43 residues pruned to eliminate duplicates Z: 18 18.417 1.956 0.576 0.620 0.941 0.471 CB 1.374 18 residues pruned to eliminate duplicates Z: 34 22.898 1.949 0.486 0.673 0.909 0.697 CB 1.290 34 residues pruned to eliminate duplicates Z: 42 25.895 1.937 0.545 0.676 0.878 0.659 CB 1.309 43 residues pruned to eliminate duplicates Z: 20 16.133 1.805 0.488 0.793 0.789 0.579 CB 1.350 20 residues pruned to eliminate duplicates Z: 19 19.908 1.939 0.762 0.619 0.833 0.667 CB 1.474 19 residues pruned to eliminate duplicates Z: 40 31.986 2.001 0.537 0.702 0.923 0.667 CB 1.501 40 residues pruned to eliminate duplicates Z: 65 32.564 1.900 0.764 0.525 0.922 0.594 CB 1.285 72 residues pruned to eliminate duplicates Z: 19 18.796 1.837 0.650 0.727 0.889 0.500 CB 1.340 19 residues pruned to eliminate duplicates Z: 42 30.771 1.976 0.565 0.702 0.951 0.634 CB 1.359 42 residues pruned to eliminate duplicates Z: 31 21.799 1.856 0.747 0.567 0.833 0.633 CB 1.380 31 residues pruned to eliminate duplicates Z: 76 41.072 1.967 0.680 0.645 0.947 0.693 CB 1.325 76 residues pruned to eliminate duplicates Z: 20 20.614 1.934 0.605 0.638 0.895 0.526 CB 1.496 20 residues pruned to eliminate duplicates Z: 21 17.724 2.005 0.440 0.706 0.900 0.650 CB 1.264 21 residues pruned to eliminate duplicates Z: 36 24.370 1.969 0.368 0.698 0.914 0.686 CB 1.396 36 residues pruned to eliminate duplicates Z: 34 27.185 2.021 0.515 0.683 0.909 0.697 CB 1.436 34 residues pruned to eliminate duplicates Z: 41 31.484 1.947 0.583 0.735 0.925 0.675 CB 1.413 41 residues pruned to eliminate duplicates Z: 33 27.689 1.997 0.574 0.685 0.906 0.625 CB 1.450 33 residues pruned to eliminate duplicates Z: 36 26.318 1.972 0.501 0.657 0.914 0.686 CB 1.420 36 residues pruned to eliminate duplicates Z: 44 19.296 1.900 0.478 0.531 0.814 0.442 CB 1.249 44 residues pruned to eliminate duplicates Z: 40 31.280 1.988 0.516 0.721 0.974 0.667 CB 1.396 40 residues pruned to eliminate duplicates Z: 20 23.479 1.973 0.572 0.843 0.947 0.842 CB 1.365 20 residues pruned to eliminate duplicates Z: 19 17.217 1.924 0.714 0.524 0.889 0.556 CB 1.352 19 residues pruned to eliminate duplicates Z: 42 31.336 1.980 0.576 0.711 0.951 0.659 CB 1.361 42 residues pruned to eliminate duplicates Z: 43 30.720 1.949 0.651 0.678 0.905 0.595 CB 1.382 43 residues pruned to eliminate duplicates Z: 44 32.381 1.952 0.741 0.681 0.907 0.698 CB 1.356 41 residues pruned to eliminate duplicates Z: 21 22.770 1.948 0.809 0.829 0.900 0.650 CB 1.208 21 residues pruned to eliminate duplicates Z: 43 34.011 1.959 0.861 0.674 0.929 0.714 CB 1.320 44 residues pruned to eliminate duplicates Z: 20 31.671 1.993 1.042 0.941 1.000 0.895 CB 1.239 20 residues pruned to eliminate duplicates Z: 42 28.394 1.956 0.586 0.693 0.927 0.634 CB 1.292 42 residues pruned to eliminate duplicates Z: 42 36.813 1.981 0.840 0.714 0.951 0.610 CB 1.366 42 residues pruned to eliminate duplicates Z: 21 31.448 2.025 0.874 0.828 1.000 0.700 CB 1.396 21 residues pruned to eliminate duplicates Z: 25 23.862 2.013 0.608 0.733 0.958 0.583 CB 1.273 25 residues pruned to eliminate duplicates Z: 30 26.260 2.008 0.610 0.710 0.931 0.586 CB 1.339 30 residues pruned to eliminate duplicates Z: 43 32.256 1.970 0.692 0.697 0.952 0.619 CB 1.310 43 residues pruned to eliminate duplicates Z: 21 33.127 2.049 0.944 0.828 1.000 0.750 CB 1.401 21 residues pruned to eliminate duplicates Z: 42 35.274 1.948 0.823 0.723 0.927 0.561 CB 1.369 42 residues pruned to eliminate duplicates Z: 61 38.387 2.010 0.655 0.650 0.950 0.683 CB 1.365 61 residues pruned to eliminate duplicates Z: 21 17.791 2.027 0.404 0.574 1.000 0.850 CB 1.301 21 residues pruned to eliminate duplicates Z: 101 46.906 1.975 0.775 0.613 0.940 0.570 CB 1.279 101 residues pruned to eliminate duplicates Z: 64 39.188 1.988 0.715 0.667 0.921 0.619 CB 1.347 64 residues pruned to eliminate duplicates Z: 22 16.293 2.025 0.473 0.583 0.952 0.667 CB 1.155 22 residues pruned to eliminate duplicates Z: 20 18.525 2.056 0.468 0.695 1.000 0.842 CB 1.178 20 residues pruned to eliminate duplicates Z: 18 13.061 2.071 0.231 0.699 1.000 1.000 CB 1.036 18 residues pruned to eliminate duplicates Z: 41 20.210 2.027 0.525 0.397 0.975 0.725 CB 1.182 41 residues pruned to eliminate duplicates Z: 17 19.025 2.084 0.455 0.712 1.000 0.938 CB 1.295 17 residues pruned to eliminate duplicates Z: 28 19.340 1.990 0.455 0.701 0.963 0.778 CB 1.111 28 residues pruned to eliminate duplicates Z: 22 15.193 1.975 0.416 0.622 0.952 0.810 CB 1.110 22 residues pruned to eliminate duplicates Z: 19 17.753 2.015 0.586 0.631 0.944 0.722 CB 1.226 19 residues pruned to eliminate duplicates Z: 24 15.190 1.965 0.315 0.569 0.957 0.783 CB 1.198 24 residues pruned to eliminate duplicates Z: 21 19.920 2.039 0.493 0.648 1.000 0.900 CB 1.275 21 residues pruned to eliminate duplicates Z: 63 36.900 1.966 0.705 0.656 0.952 0.661 CB 1.272 63 residues pruned to eliminate duplicates Z: 27 13.222 1.942 0.521 0.529 0.846 0.654 CB 1.008 27 residues pruned to eliminate duplicates Z: 45 24.513 2.018 0.676 0.418 0.932 0.636 CB 1.277 45 residues pruned to eliminate duplicates Z: 61 35.585 1.979 0.707 0.633 0.950 0.617 CB 1.263 61 residues pruned to eliminate duplicates Z: 46 24.857 1.995 0.636 0.429 0.911 0.667 CB 1.342 46 residues pruned to eliminate duplicates Z: 45 24.553 2.021 0.773 0.411 0.909 0.659 CB 1.248 45 residues pruned to eliminate duplicates Z: 52 25.142 1.972 0.631 0.456 0.902 0.647 CB 1.269 52 residues pruned to eliminate duplicates Z: 31 14.880 1.998 0.580 0.277 0.833 0.500 CB 1.329 31 residues pruned to eliminate duplicates Z: 27 15.173 2.043 0.455 0.302 0.923 0.385 CB 1.351 27 residues pruned to eliminate duplicates Z: 64 28.192 2.072 0.539 0.471 0.905 0.730 CB 1.267 64 residues pruned to eliminate duplicates Z: 43 28.528 2.059 0.787 0.439 0.905 0.619 CB 1.408 43 residues pruned to eliminate duplicates Z: 44 23.700 2.050 0.638 0.407 0.907 0.651 CB 1.308 44 residues pruned to eliminate duplicates Z: 66 30.962 2.065 0.621 0.489 0.938 0.738 CB 1.236 66 residues pruned to eliminate duplicates Z: 52 22.560 1.966 0.657 0.367 0.824 0.647 CB 1.358 52 residues pruned to eliminate duplicates Z: 49 23.743 1.992 0.640 0.413 0.917 0.667 CB 1.253 55 residues pruned to eliminate duplicates Z: 26 19.085 2.058 0.705 0.325 0.960 0.680 CB 1.373 26 residues pruned to eliminate duplicates Z: 40 22.819 2.076 0.585 0.389 0.923 0.641 CB 1.354 40 residues pruned to eliminate duplicates Z: 49 21.243 1.975 0.731 0.377 0.833 0.625 CB 1.226 49 residues pruned to eliminate duplicates Z: 28 17.573 2.047 0.660 0.323 0.852 0.630 CB 1.420 28 residues pruned to eliminate duplicates Z: 57 20.702 1.974 0.513 0.403 0.857 0.518 CB 1.198 57 residues pruned to eliminate duplicates Z: 49 22.448 2.026 0.631 0.397 0.833 0.521 CB 1.312 49 residues pruned to eliminate duplicates Z: 28 17.383 2.012 0.669 0.312 0.852 0.630 CB 1.441 28 residues pruned to eliminate duplicates Z: 29 22.112 2.051 0.856 0.344 0.929 0.571 CB 1.401 29 residues pruned to eliminate duplicates Z: 45 22.193 2.024 0.566 0.403 0.909 0.659 CB 1.287 45 residues pruned to eliminate duplicates Z: 29 19.373 2.028 0.748 0.336 0.893 0.643 CB 1.384 29 residues pruned to eliminate duplicates Z: 42 27.565 2.057 0.733 0.418 0.951 0.683 CB 1.383 42 residues pruned to eliminate duplicates Z: 47 22.952 2.010 0.648 0.389 0.870 0.587 CB 1.321 47 residues pruned to eliminate duplicates Z: 26 15.932 2.036 0.701 0.305 0.880 0.400 CB 1.300 26 residues pruned to eliminate duplicates Z: 27 16.314 2.033 0.716 0.321 0.846 0.577 CB 1.321 27 residues pruned to eliminate duplicates Z: 42 17.362 1.894 0.687 0.274 0.878 0.488 CB 1.249 42 residues pruned to eliminate duplicates Z: 51 27.677 2.064 0.685 0.442 0.940 0.620 CB 1.270 51 residues pruned to eliminate duplicates Z: 67 31.077 2.037 0.589 0.480 0.955 0.697 CB 1.263 67 residues pruned to eliminate duplicates Z: 53 25.866 2.025 0.663 0.434 0.885 0.731 CB 1.289 53 residues pruned to eliminate duplicates Z: 73 28.775 1.990 0.674 0.459 0.903 0.653 CB 1.175 73 residues pruned to eliminate duplicates Z: 22 21.214 2.107 0.637 0.637 0.952 0.810 CB 1.239 22 residues pruned to eliminate duplicates Z: 21 23.061 2.103 0.650 0.660 1.000 0.750 CB 1.281 21 residues pruned to eliminate duplicates Z: 28 18.136 2.017 0.594 0.558 0.889 0.704 CB 1.155 28 residues pruned to eliminate duplicates Z: 35 20.746 2.065 0.482 0.517 0.941 0.647 CB 1.215 35 residues pruned to eliminate duplicates Z: 68 28.465 2.044 0.667 0.466 0.896 0.672 CB 1.179 68 residues pruned to eliminate duplicates Z: 64 25.929 2.040 0.534 0.472 0.857 0.730 CB 1.254 64 residues pruned to eliminate duplicates Z: 21 20.166 2.088 0.412 0.686 1.000 0.900 CB 1.289 21 residues pruned to eliminate duplicates Z: 33 19.688 2.057 0.545 0.481 0.938 0.812 CB 1.191 33 residues pruned to eliminate duplicates Z: 34 17.123 2.025 0.445 0.461 0.879 0.788 CB 1.206 34 residues pruned to eliminate duplicates Z: 31 20.927 2.016 0.699 0.501 0.900 0.700 CB 1.238 31 residues pruned to eliminate duplicates Z: 66 25.251 2.034 0.580 0.422 0.877 0.631 CB 1.205 66 residues pruned to eliminate duplicates Z: 55 21.461 2.003 0.509 0.418 0.852 0.519 CB 1.235 55 residues pruned to eliminate duplicates Z: 22 18.590 2.051 0.445 0.630 0.952 0.762 CB 1.273 22 residues pruned to eliminate duplicates Z: 23 19.620 2.068 0.550 0.594 0.955 0.727 CB 1.251 23 residues pruned to eliminate duplicates Z: 65 31.454 2.060 0.577 0.492 0.953 0.719 CB 1.279 65 residues pruned to eliminate duplicates Z: 66 31.764 2.034 0.694 0.498 0.908 0.708 CB 1.262 66 residues pruned to eliminate duplicates Z: 68 31.909 2.037 0.643 0.491 0.925 0.627 CB 1.271 68 residues pruned to eliminate duplicates Z: 22 21.583 2.104 0.556 0.643 0.952 0.857 CB 1.321 22 residues pruned to eliminate duplicates Z: 68 28.765 2.003 0.614 0.473 0.910 0.657 CB 1.227 68 residues pruned to eliminate duplicates Z: 44 26.342 2.053 0.480 0.622 0.977 0.744 CB 1.206 44 residues pruned to eliminate duplicates Z: 87 35.666 2.044 0.644 0.512 0.930 0.698 CB 1.216 87 residues pruned to eliminate duplicates Z: 20 12.723 1.923 0.496 0.434 0.895 0.474 CB 1.214 20 residues pruned to eliminate duplicates Z: 15 16.380 2.003 0.841 0.525 0.929 0.571 CB 1.247 15 residues pruned to eliminate duplicates Z: 21 16.897 2.000 0.603 0.697 0.950 0.750 CB 1.036 21 residues pruned to eliminate duplicates Z: 16 13.587 1.856 0.654 0.408 0.933 0.333 CB 1.349 16 residues pruned to eliminate duplicates Z: 20 16.646 2.042 0.538 0.646 0.895 0.789 CB 1.186 20 residues pruned to eliminate duplicates Z: 21 20.189 2.060 0.675 0.718 0.950 0.750 CB 1.130 21 residues pruned to eliminate duplicates Z: 19 21.696 2.056 0.943 0.647 0.833 0.611 CB 1.339 19 residues pruned to eliminate duplicates Z: 22 22.991 2.066 0.836 0.699 0.952 0.667 CB 1.158 22 residues pruned to eliminate duplicates Z: 22 23.878 2.071 0.901 0.709 0.952 0.762 CB 1.150 22 residues pruned to eliminate duplicates Z: 20 21.036 2.058 0.774 0.671 0.947 0.789 CB 1.192 20 residues pruned to eliminate duplicates Z: 22 19.975 2.066 0.745 0.678 0.952 0.667 CB 1.078 22 residues pruned to eliminate duplicates Z: 22 23.937 2.010 1.001 0.670 0.905 0.714 CB 1.227 22 residues pruned to eliminate duplicates Z: 21 25.415 2.057 0.974 0.686 0.900 0.600 CB 1.311 21 residues pruned to eliminate duplicates Z: 20 26.662 2.070 0.926 0.769 0.947 0.737 CB 1.276 20 residues pruned to eliminate duplicates Z: 18 26.947 2.111 1.124 0.706 0.941 0.588 CB 1.285 18 residues pruned to eliminate duplicates Z: 23 17.400 2.001 0.798 0.588 0.818 0.500 CB 1.158 23 residues pruned to eliminate duplicates Z: 20 31.767 2.129 1.174 0.744 0.947 0.684 CB 1.336 20 residues pruned to eliminate duplicates Z: 23 23.220 2.002 0.984 0.623 0.864 0.636 CB 1.285 23 residues pruned to eliminate duplicates Z: 17 18.498 2.070 0.802 0.688 0.875 0.625 CB 1.193 17 residues pruned to eliminate duplicates Z: 36 30.401 2.023 0.786 0.665 0.971 0.657 CB 1.257 36 residues pruned to eliminate duplicates Z: 38 30.059 2.021 0.788 0.680 0.919 0.649 CB 1.261 38 residues pruned to eliminate duplicates Z: 45 25.785 1.943 0.794 0.542 0.886 0.591 CB 1.208 45 residues pruned to eliminate duplicates Z: 36 23.236 1.952 0.607 0.668 0.971 0.629 CB 1.103 36 residues pruned to eliminate duplicates Z: 39 26.668 1.937 0.748 0.631 0.895 0.605 CB 1.263 39 residues pruned to eliminate duplicates Z: 51 28.926 1.969 0.691 0.602 0.920 0.520 CB 1.212 51 residues pruned to eliminate duplicates Z: 38 31.178 1.997 0.872 0.653 0.946 0.676 CB 1.257 38 residues pruned to eliminate duplicates Z: 38 31.468 1.981 0.924 0.682 0.946 0.568 CB 1.214 38 residues pruned to eliminate duplicates Z: 42 27.868 1.978 0.677 0.607 0.927 0.610 CB 1.279 42 residues pruned to eliminate duplicates Z: 33 27.049 1.999 0.787 0.706 0.969 0.562 CB 1.145 33 residues pruned to eliminate duplicates Z: 40 26.988 1.966 0.757 0.597 0.923 0.641 CB 1.235 40 residues pruned to eliminate duplicates Z: 38 29.213 1.994 0.721 0.694 0.973 0.703 CB 1.205 38 residues pruned to eliminate duplicates Z: 52 29.515 1.958 0.701 0.634 0.882 0.647 CB 1.240 52 residues pruned to eliminate duplicates Z: 53 26.334 1.946 0.599 0.565 0.923 0.596 CB 1.193 53 residues pruned to eliminate duplicates Z: 35 25.802 1.995 0.651 0.680 0.941 0.588 CB 1.210 35 residues pruned to eliminate duplicates Z: 43 24.425 1.936 0.684 0.608 0.905 0.667 CB 1.153 43 residues pruned to eliminate duplicates Z: 13 6.114 1.615 0.341 0.418 0.833 0.500 CB 1.065 13 residues pruned to eliminate duplicates Z: 53 28.595 1.931 0.690 0.613 0.923 0.654 CB 1.183 53 residues pruned to eliminate duplicates Z: 16 8.184 1.859 0.591 0.535 0.800 0.533 CB 0.864 16 residues pruned to eliminate duplicates Z: 21 8.411 1.683 0.599 0.254 0.700 0.450 CB 1.324 21 residues pruned to eliminate duplicates Z: 54 29.761 1.957 0.776 0.580 0.906 0.642 CB 1.202 54 residues pruned to eliminate duplicates Z: 14 15.618 1.978 0.660 0.554 0.846 0.462 CB 1.480 14 residues pruned to eliminate duplicates Z: 52 29.305 1.952 0.622 0.614 0.922 0.647 CB 1.262 52 residues pruned to eliminate duplicates Z: 44 20.099 1.895 0.653 0.391 0.884 0.628 CB 1.244 44 residues pruned to eliminate duplicates Z: 29 13.312 1.886 0.509 0.440 0.821 0.571 CB 1.145 29 residues pruned to eliminate duplicates Z: 37 19.926 1.898 0.481 0.541 0.917 0.639 CB 1.238 37 residues pruned to eliminate duplicates Z: 53 30.709 1.976 0.756 0.608 0.923 0.596 CB 1.200 53 residues pruned to eliminate duplicates Z: 83 32.874 1.941 0.663 0.519 0.902 0.561 CB 1.223 83 residues pruned to eliminate duplicates Z: 17 14.505 1.795 0.693 0.456 0.938 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 16 15.863 1.926 0.660 0.552 0.867 0.600 CB 1.404 16 residues pruned to eliminate duplicates Z: 27 13.117 1.887 0.585 0.385 0.808 0.538 CB 1.203 27 residues pruned to eliminate duplicates Z: 67 21.430 1.931 0.536 0.343 0.864 0.485 CB 1.221 73 residues pruned to eliminate duplicates Z: 19 13.036 1.923 0.597 0.324 0.889 0.500 CB 1.365 19 residues pruned to eliminate duplicates Z: 16 10.976 1.863 0.456 0.426 0.867 0.600 CB 1.302 16 residues pruned to eliminate duplicates Z: 16 12.615 1.855 0.497 0.426 0.867 0.533 CB 1.462 16 residues pruned to eliminate duplicates Z: 14 11.647 1.966 0.561 0.481 0.769 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 15 14.087 1.946 0.398 0.510 0.929 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 22 11.482 1.889 0.400 0.360 0.810 0.476 CB 1.361 22 residues pruned to eliminate duplicates Z: 45 15.384 1.936 0.485 0.379 0.750 0.409 CB 1.224 45 residues pruned to eliminate duplicates Z: 27 11.988 1.928 0.516 0.329 0.808 0.308 CB 1.201 27 residues pruned to eliminate duplicates Z: 6 3.509 1.769 0.501 0.351 0.600 0.400 CB 1.157 6 residues pruned to eliminate duplicates Z: 82 35.983 1.965 0.687 0.533 0.938 0.556 CB 1.245 82 residues pruned to eliminate duplicates Z: 14 7.034 1.923 0.327 0.298 0.846 0.231 CB 1.132 14 residues pruned to eliminate duplicates Z: 26 13.753 1.909 0.686 0.434 0.880 0.600 CB 1.040 26 residues pruned to eliminate duplicates Z: 27 10.878 1.905 0.447 0.378 0.769 0.577 CB 1.147 27 residues pruned to eliminate duplicates Z: 35 19.908 2.003 0.605 0.463 0.853 0.500 CB 1.293 35 residues pruned to eliminate duplicates Z: 20 8.290 1.906 0.546 0.283 0.789 0.421 CB 1.044 20 residues pruned to eliminate duplicates Z: 39 14.282 1.927 0.517 0.359 0.711 0.526 CB 1.298 39 residues pruned to eliminate duplicates Z: 39 17.684 1.932 0.530 0.329 0.895 0.447 CB 1.309 39 residues pruned to eliminate duplicates Z: 119 37.899 1.992 0.658 0.472 0.907 0.627 CB 1.198 119 residues pruned to eliminate duplicates Z: 38 17.667 1.923 0.668 0.368 0.838 0.432 CB 1.245 38 residues pruned to eliminate duplicates Z: 20 20.437 1.997 0.788 0.524 0.947 0.474 CB 1.352 20 residues pruned to eliminate duplicates Z: 24 16.226 1.970 0.771 0.457 0.870 0.609 CB 1.165 24 residues pruned to eliminate duplicates Z: 45 15.155 1.878 0.531 0.377 0.795 0.500 CB 1.139 45 residues pruned to eliminate duplicates Z: 44 28.914 2.076 0.704 0.508 0.860 0.628 CB 1.437 44 residues pruned to eliminate duplicates Z: 25 17.341 1.958 0.764 0.475 0.833 0.542 CB 1.261 25 residues pruned to eliminate duplicates Z: 43 21.834 1.953 0.594 0.458 0.881 0.595 CB 1.282 43 residues pruned to eliminate duplicates Z: 81 34.015 1.979 0.652 0.552 0.887 0.637 CB 1.247 81 residues pruned to eliminate duplicates Z: 27 16.512 1.949 0.563 0.384 0.923 0.462 CB 1.303 27 residues pruned to eliminate duplicates Z: 27 15.221 1.921 0.776 0.407 0.808 0.462 CB 1.194 27 residues pruned to eliminate duplicates Z: 61 33.983 2.027 0.758 0.542 0.900 0.617 CB 1.313 61 residues pruned to eliminate duplicates Z: 72 31.219 1.983 0.697 0.506 0.831 0.592 CB 1.316 72 residues pruned to eliminate duplicates Z: 44 28.364 2.041 0.732 0.546 0.884 0.605 CB 1.324 44 residues pruned to eliminate duplicates Z: 52 30.236 2.051 0.682 0.542 0.843 0.569 CB 1.397 52 residues pruned to eliminate duplicates Z: 41 29.973 2.068 0.711 0.598 0.900 0.675 CB 1.356 41 residues pruned to eliminate duplicates Z: 42 30.776 2.129 0.686 0.612 0.902 0.732 CB 1.334 42 residues pruned to eliminate duplicates Z: 39 32.535 2.056 0.886 0.634 0.921 0.658 CB 1.303 39 residues pruned to eliminate duplicates Z: 45 26.458 2.000 0.736 0.555 0.841 0.614 CB 1.296 45 residues pruned to eliminate duplicates Z: 47 25.286 2.026 0.635 0.501 0.870 0.609 CB 1.293 47 residues pruned to eliminate duplicates Z: 64 27.931 1.943 0.663 0.526 0.825 0.619 CB 1.286 64 residues pruned to eliminate duplicates Z: 54 32.389 2.075 0.562 0.539 0.943 0.547 CB 1.401 54 residues pruned to eliminate duplicates Z: 48 34.511 2.099 0.795 0.583 0.894 0.617 CB 1.380 48 residues pruned to eliminate duplicates Z: 39 32.130 2.080 0.731 0.638 0.921 0.711 CB 1.382 39 residues pruned to eliminate duplicates Z: 65 35.478 2.011 0.717 0.529 0.891 0.625 CB 1.401 65 residues pruned to eliminate duplicates Z: 56 32.750 2.001 0.642 0.570 0.945 0.618 CB 1.328 56 residues pruned to eliminate duplicates Z: 56 36.450 2.038 0.770 0.533 0.945 0.600 CB 1.395 55 residues pruned to eliminate duplicates Z: 10 12.647 1.853 0.574 0.661 0.889 0.556 CB 1.400 10 residues pruned to eliminate duplicates Z: 52 35.181 2.068 0.735 0.575 0.922 0.608 CB 1.386 57 residues pruned to eliminate duplicates Z: 9 11.949 1.969 0.402 0.730 0.875 0.625 CB 1.421 9 residues pruned to eliminate duplicates Z: 51 31.731 2.087 0.660 0.567 0.880 0.620 CB 1.380 51 residues pruned to eliminate duplicates Z: 74 36.406 2.029 0.688 0.510 0.918 0.630 CB 1.342 70 residues pruned to eliminate duplicates Z: 6 7.554 2.171 0.586 0.324 0.800 0.200 CB 1.489 6 residues pruned to eliminate duplicates Z: 70 33.624 2.038 0.528 0.507 0.913 0.565 CB 1.413 70 residues pruned to eliminate duplicates Z: 55 33.207 2.052 0.662 0.557 0.907 0.611 CB 1.381 55 residues pruned to eliminate duplicates Z: 50 33.158 2.076 0.728 0.556 0.878 0.673 CB 1.425 50 residues pruned to eliminate duplicates Z: 54 33.533 2.080 0.787 0.582 0.868 0.623 CB 1.320 54 residues pruned to eliminate duplicates Z: 56 33.963 2.051 0.665 0.559 0.909 0.636 CB 1.393 56 residues pruned to eliminate duplicates Z: 55 36.819 2.054 0.754 0.567 0.944 0.630 CB 1.380 55 residues pruned to eliminate duplicates Z: 54 37.447 2.068 0.809 0.573 0.962 0.642 CB 1.331 54 residues pruned to eliminate duplicates Z: 56 34.658 2.044 0.793 0.582 0.891 0.545 CB 1.324 55 residues pruned to eliminate duplicates Z: 6 7.419 1.727 0.820 0.463 1.000 0.800 CB 1.096 6 residues pruned to eliminate duplicates Z: 23 36.497 2.256 0.964 0.685 0.955 0.636 CB 1.553 23 residues pruned to eliminate duplicates Z: 60 52.317 2.109 0.943 0.669 0.949 0.729 CB 1.498 60 residues pruned to eliminate duplicates Z: 38 35.724 2.109 0.793 0.665 0.919 0.757 CB 1.450 38 residues pruned to eliminate duplicates Z: 51 47.309 2.160 0.801 0.694 0.960 0.640 CB 1.500 44 residues pruned to eliminate duplicates Z: 12 27.345 2.278 0.746 0.755 0.909 0.636 CA 1.818 12 residues pruned to eliminate duplicates Z: 20 21.042 2.165 0.615 0.522 0.895 0.579 CB 1.509 20 residues pruned to eliminate duplicates Z: 20 23.963 2.283 0.703 0.534 0.947 0.632 CB 1.443 20 residues pruned to eliminate duplicates Z: 19 26.144 2.276 0.853 0.589 0.889 0.611 CB 1.510 19 residues pruned to eliminate duplicates Z: 44 45.121 2.140 0.905 0.688 0.953 0.674 CB 1.490 44 residues pruned to eliminate duplicates Z: 45 41.886 2.126 0.796 0.718 0.932 0.659 CB 1.457 45 residues pruned to eliminate duplicates Z: 45 40.143 2.111 0.879 0.686 0.932 0.727 CB 1.381 45 residues pruned to eliminate duplicates Z: 44 43.565 2.129 0.822 0.710 0.953 0.767 CB 1.485 44 residues pruned to eliminate duplicates Z: 38 41.169 2.157 0.862 0.683 0.919 0.730 CB 1.550 38 residues pruned to eliminate duplicates Z: 52 35.524 2.050 0.846 0.538 0.941 0.608 CB 1.345 52 residues pruned to eliminate duplicates Z: 40 42.313 2.124 0.833 0.710 0.949 0.744 CB 1.516 40 residues pruned to eliminate duplicates Z: 39 44.994 2.178 0.919 0.686 0.974 0.658 CB 1.512 39 residues pruned to eliminate duplicates Z: 44 46.219 2.163 0.839 0.714 0.953 0.767 CB 1.531 44 residues pruned to eliminate duplicates Z: 44 46.148 2.142 0.896 0.723 0.930 0.721 CB 1.523 44 residues pruned to eliminate duplicates Z: 46 44.188 2.093 0.860 0.714 0.956 0.711 CB 1.459 46 residues pruned to eliminate duplicates Z: 51 45.042 2.133 0.788 0.656 0.980 0.740 CB 1.474 52 residues pruned to eliminate duplicates Z: 26 27.099 1.934 0.809 0.701 0.920 0.600 CB 1.401 26 residues pruned to eliminate duplicates Z: 36 31.140 2.022 0.784 0.659 0.914 0.629 CB 1.377 35 residues pruned to eliminate duplicates Z: 14 24.211 1.998 1.152 0.915 1.000 0.692 CB 1.104 14 residues pruned to eliminate duplicates Z: 45 47.060 2.117 0.978 0.723 0.955 0.682 CB 1.451 45 residues pruned to eliminate duplicates Z: 35 36.752 2.133 0.990 0.672 0.882 0.618 CB 1.436 35 residues pruned to eliminate duplicates Z: 51 48.559 2.137 0.926 0.674 0.980 0.540 CB 1.450 51 residues pruned to eliminate duplicates Z: 18 31.062 2.006 1.058 0.930 0.941 0.706 CB 1.357 18 residues pruned to eliminate duplicates Z: 51 45.454 2.118 0.943 0.664 0.940 0.620 CB 1.427 51 residues pruned to eliminate duplicates Z: 29 30.698 2.003 0.835 0.736 0.929 0.571 CB 1.376 29 residues pruned to eliminate duplicates Z: 35 32.287 2.031 0.942 0.688 0.941 0.471 CB 1.255 35 residues pruned to eliminate duplicates Z: 46 42.077 2.092 0.904 0.695 0.933 0.667 CB 1.412 46 residues pruned to eliminate duplicates Z: 46 45.785 2.078 0.922 0.721 0.956 0.556 CB 1.465 46 residues pruned to eliminate duplicates Z: 51 39.000 2.108 0.820 0.639 0.920 0.460 CB 1.372 51 residues pruned to eliminate duplicates Z: 45 47.323 2.132 0.996 0.705 0.932 0.614 CB 1.493 44 residues pruned to eliminate duplicates Z: 20 35.163 1.956 0.988 0.897 1.000 0.632 CB 1.485 20 residues pruned to eliminate duplicates Z: 28 33.693 2.021 0.934 0.755 0.963 0.667 CB 1.373 28 residues pruned to eliminate duplicates Z: 45 45.724 2.140 0.953 0.686 0.977 0.614 CB 1.422 45 residues pruned to eliminate duplicates Z: 20 27.480 1.950 1.110 0.777 0.895 0.316 CB 1.342 20 residues pruned to eliminate duplicates Z: 52 44.484 2.120 0.886 0.657 0.941 0.627 CB 1.431 52 residues pruned to eliminate duplicates Z: 125 50.982 2.027 0.807 0.514 0.887 0.548 CB 1.390 125 residues pruned to eliminate duplicates Z: 51 44.680 2.149 0.883 0.663 0.960 0.540 CB 1.399 51 residues pruned to eliminate duplicates Z: 52 50.502 2.148 0.914 0.670 0.980 0.667 CB 1.499 52 residues pruned to eliminate duplicates Z: 6 4.943 1.406 0.715 0.481 1.000 0.600 N 0.934 5 residues pruned to eliminate duplicates Z: 7 6.278 1.723 0.898 0.432 0.667 0.000 CA 1.261 7 residues pruned to eliminate duplicates Z: 65 45.045 2.134 0.758 0.575 0.922 0.641 CB 1.515 65 residues pruned to eliminate duplicates Z: 130 56.790 2.068 0.822 0.521 0.922 0.574 CB 1.408 57 residues pruned to eliminate duplicates Z: 8 13.942 2.035 0.866 0.557 0.857 0.143 N 1.531 8 residues pruned to eliminate duplicates Z: 40 37.314 2.163 0.704 0.618 0.949 0.769 CB 1.529 40 residues pruned to eliminate duplicates Z: 26 22.482 2.102 0.605 0.569 0.880 0.560 CB 1.418 26 residues pruned to eliminate duplicates Z: 32 20.963 2.033 0.623 0.503 0.871 0.645 CB 1.306 32 residues pruned to eliminate duplicates Z: 33 22.485 2.048 0.575 0.568 0.875 0.719 CB 1.318 33 residues pruned to eliminate duplicates Z: 20 26.548 2.165 0.846 0.546 0.895 0.737 CB 1.628 20 residues pruned to eliminate duplicates Z: 28 25.188 2.129 0.674 0.556 0.889 0.593 CB 1.449 28 residues pruned to eliminate duplicates Z: 45 35.295 2.142 0.648 0.658 0.886 0.614 CB 1.468 45 residues pruned to eliminate duplicates Z: 43 21.698 2.052 0.528 0.491 0.905 0.524 CB 1.190 43 residues pruned to eliminate duplicates Z: 59 32.837 2.060 0.712 0.516 0.931 0.638 CB 1.293 59 residues pruned to eliminate duplicates Z: 49 28.526 2.004 0.814 0.489 0.875 0.562 CB 1.309 49 residues pruned to eliminate duplicates Z: 26 28.187 2.157 0.895 0.586 0.880 0.400 CB 1.442 26 residues pruned to eliminate duplicates Z: 31 27.182 2.139 0.822 0.536 0.833 0.600 CB 1.475 31 residues pruned to eliminate duplicates Z: 19 29.566 2.088 0.854 0.636 0.944 0.444 CB 1.678 19 residues pruned to eliminate duplicates Z: 31 33.619 2.165 0.948 0.595 0.933 0.700 CB 1.425 31 residues pruned to eliminate duplicates Z: 58 33.667 2.044 0.704 0.527 0.877 0.649 CB 1.421 58 residues pruned to eliminate duplicates Z: 83 47.881 2.122 0.706 0.606 0.915 0.646 CB 1.443 83 residues pruned to eliminate duplicates Z: 33 27.305 2.067 0.889 0.529 0.906 0.688 CB 1.326 33 residues pruned to eliminate duplicates Z: 60 54.863 2.175 0.825 0.642 0.966 0.729 CB 1.631 60 residues pruned to eliminate duplicates Z: 47 42.026 2.156 0.826 0.660 0.913 0.717 CB 1.486 47 residues pruned to eliminate duplicates Z: 49 36.917 2.113 0.839 0.579 0.917 0.646 CB 1.387 49 residues pruned to eliminate duplicates Z: 65 42.429 2.096 0.928 0.549 0.875 0.578 CB 1.430 65 residues pruned to eliminate duplicates Z: 24 20.566 1.970 0.929 0.591 0.913 0.391 CB 1.133 21 residues pruned to eliminate duplicates Z: 18 28.155 1.894 1.065 0.729 0.941 0.529 CA 1.510 18 residues pruned to eliminate duplicates Z: 56 38.791 2.116 0.859 0.568 0.836 0.600 CB 1.489 56 residues pruned to eliminate duplicates Z: 38 36.002 2.131 0.930 0.538 0.865 0.568 CB 1.603 38 residues pruned to eliminate duplicates Z: 40 26.767 2.029 0.781 0.480 0.795 0.538 CB 1.523 40 residues pruned to eliminate duplicates Z: 39 28.068 2.070 0.716 0.514 0.842 0.605 CB 1.501 39 residues pruned to eliminate duplicates Z: 77 44.612 2.114 0.970 0.532 0.855 0.632 CB 1.392 77 residues pruned to eliminate duplicates Z: 38 26.579 1.949 0.948 0.408 0.865 0.405 CB 1.465 38 residues pruned to eliminate duplicates Z: 33 34.586 2.198 0.918 0.517 0.875 0.625 CB 1.631 33 residues pruned to eliminate duplicates Z: 31 36.740 2.125 1.146 0.592 0.900 0.600 CB 1.496 31 residues pruned to eliminate duplicates Z: 38 48.862 2.182 0.916 0.684 0.973 0.676 CB 1.668 38 residues pruned to eliminate duplicates Z: 37 31.670 2.150 0.858 0.509 0.833 0.528 CB 1.571 37 residues pruned to eliminate duplicates Z: 89 49.822 2.117 0.849 0.558 0.909 0.580 CB 1.411 89 residues pruned to eliminate duplicates Z: 81 47.258 2.121 0.840 0.520 0.913 0.588 CB 1.455 49 residues pruned to eliminate duplicates Z: 6 8.931 1.970 0.686 0.300 1.000 0.600 CA 1.504 Z: 6 4.911 1.540 0.409 0.342 1.000 0.400 N 1.201 4 residues pruned to eliminate duplicates Z: 7 7.988 1.797 0.651 0.504 0.833 0.333 CB 1.314 7 residues pruned to eliminate duplicates Z: 59 46.982 2.125 0.976 0.585 0.897 0.672 CB 1.511 67 residues pruned to eliminate duplicates Z: 42 35.678 2.101 0.989 0.505 0.854 0.537 CB 1.554 42 residues pruned to eliminate duplicates Z: 38 42.300 2.170 0.943 0.551 0.946 0.703 CB 1.658 38 residues pruned to eliminate duplicates Z: 56 46.903 2.154 0.906 0.604 0.891 0.600 CB 1.566 56 residues pruned to eliminate duplicates Z: 89 52.073 2.124 0.870 0.570 0.886 0.636 CB 1.474 89 residues pruned to eliminate duplicates Z: 83 49.160 2.121 0.793 0.558 0.915 0.585 CB 1.474 83 residues pruned to eliminate duplicates Z: 38 37.047 2.170 0.916 0.506 0.892 0.568 CB 1.632 38 residues pruned to eliminate duplicates Z: 83 53.385 2.154 0.870 0.589 0.902 0.695 CB 1.489 83 residues pruned to eliminate duplicates Z: 86 51.308 2.100 0.889 0.555 0.871 0.659 CB 1.527 86 residues pruned to eliminate duplicates Z: 27 23.224 2.107 0.761 0.474 0.846 0.615 CB 1.488 27 residues pruned to eliminate duplicates Z: 108 49.965 2.053 0.815 0.528 0.935 0.570 CB 1.349 108 residues pruned to eliminate duplicates Z: 16 21.844 2.041 0.880 0.575 0.933 0.667 CB 1.465 16 residues pruned to eliminate duplicates Z: 19 20.257 2.119 0.599 0.476 0.889 0.611 CB 1.624 19 residues pruned to eliminate duplicates Z: 40 38.343 2.130 0.885 0.552 0.872 0.615 CB 1.667 40 residues pruned to eliminate duplicates Z: 19 25.063 2.097 0.909 0.532 0.889 0.611 CB 1.609 19 residues pruned to eliminate duplicates Z: 58 52.109 2.134 0.919 0.648 0.947 0.719 CB 1.550 58 residues pruned to eliminate duplicates Z: 40 34.619 2.113 0.749 0.513 0.897 0.590 CB 1.651 40 residues pruned to eliminate duplicates Z: 38 33.908 2.118 0.875 0.519 0.892 0.514 CB 1.544 38 residues pruned to eliminate duplicates Z: 19 13.752 1.837 0.689 0.395 0.833 0.389 CB 1.401 19 residues pruned to eliminate duplicates Z: 38 19.529 1.937 0.662 0.392 0.811 0.459 CB 1.379 38 residues pruned to eliminate duplicates Z: 78 45.600 2.068 0.897 0.542 0.857 0.558 CB 1.483 78 residues pruned to eliminate duplicates Z: 6 6.547 1.733 0.850 0.360 1.000 0.600 CB 1.062 6 residues pruned to eliminate duplicates Z: 101 47.817 2.056 0.927 0.514 0.890 0.580 CB 1.337 101 residues pruned to eliminate duplicates Z: 21 9.725 1.985 0.645 0.354 0.750 0.450 CB 1.040 21 residues pruned to eliminate duplicates Z: 48 34.870 2.054 0.883 0.491 0.851 0.574 CB 1.560 48 residues pruned to eliminate duplicates Z: 55 32.299 2.039 0.860 0.487 0.833 0.574 CB 1.408 55 residues pruned to eliminate duplicates Z: 24 9.781 1.832 0.665 0.338 0.826 0.522 CB 0.967 24 residues pruned to eliminate duplicates Z: 12 12.161 1.921 1.012 0.446 0.909 0.636 CB 1.103 12 residues pruned to eliminate duplicates Z: 15 10.049 2.007 0.671 0.385 0.857 0.500 CB 1.056 15 residues pruned to eliminate duplicates Z: 14 11.635 2.051 0.672 0.429 0.846 0.462 CB 1.197 14 residues pruned to eliminate duplicates Z: 19 9.808 1.915 0.581 0.393 0.778 0.500 CB 1.100 19 residues pruned to eliminate duplicates Z: 37 20.198 2.023 0.825 0.411 0.778 0.583 CB 1.287 37 residues pruned to eliminate duplicates Z: 37 23.195 1.976 0.758 0.541 0.889 0.583 CB 1.203 37 residues pruned to eliminate duplicates Z: 38 18.956 1.910 0.809 0.347 0.865 0.568 CB 1.231 38 residues pruned to eliminate duplicates Z: 107 47.069 2.053 0.820 0.466 0.887 0.585 CB 1.429 107 residues pruned to eliminate duplicates Z: 41 19.645 1.926 0.697 0.366 0.825 0.500 CB 1.331 41 residues pruned to eliminate duplicates Z: 53 30.158 2.040 0.637 0.554 0.942 0.731 CB 1.261 53 residues pruned to eliminate duplicates Z: 36 30.429 2.103 0.773 0.585 0.857 0.543 CB 1.484 36 residues pruned to eliminate duplicates Z: 50 30.812 2.072 0.729 0.555 0.898 0.592 CB 1.297 50 residues pruned to eliminate duplicates Z: 53 33.210 2.073 0.738 0.532 0.904 0.558 CB 1.370 53 residues pruned to eliminate duplicates Z: 47 28.958 2.053 0.665 0.544 0.913 0.609 CB 1.311 47 residues pruned to eliminate duplicates Z: 51 29.399 2.036 0.641 0.549 0.900 0.660 CB 1.318 51 residues pruned to eliminate duplicates Z: 52 32.331 2.059 0.705 0.546 0.922 0.569 CB 1.337 52 residues pruned to eliminate duplicates Z: 53 36.598 2.061 0.788 0.579 0.942 0.654 CB 1.355 53 residues pruned to eliminate duplicates Z: 41 27.405 2.047 0.651 0.556 0.900 0.700 CB 1.349 41 residues pruned to eliminate duplicates Z: 22 25.642 2.138 0.670 0.735 0.905 0.857 CB 1.402 22 residues pruned to eliminate duplicates Z: 36 16.094 1.955 0.409 0.505 0.800 0.629 CB 1.228 36 residues pruned to eliminate duplicates Z: 41 27.490 2.002 0.697 0.557 0.950 0.775 CB 1.274 41 residues pruned to eliminate duplicates Z: 43 26.270 1.996 0.700 0.531 0.905 0.571 CB 1.281 43 residues pruned to eliminate duplicates Z: 39 29.458 2.060 0.667 0.599 0.974 0.737 CB 1.300 39 residues pruned to eliminate duplicates Z: 48 29.105 2.058 0.678 0.541 0.872 0.596 CB 1.354 48 residues pruned to eliminate duplicates Z: 52 30.213 2.068 0.643 0.529 0.882 0.588 CB 1.370 52 residues pruned to eliminate duplicates Z: 52 27.052 2.027 0.639 0.505 0.863 0.588 CB 1.315 52 residues pruned to eliminate duplicates Z: 55 27.696 2.008 0.717 0.494 0.870 0.685 CB 1.264 55 residues pruned to eliminate duplicates Z: 57 27.652 2.009 0.643 0.512 0.875 0.661 CB 1.264 57 residues pruned to eliminate duplicates Z: 49 30.689 2.087 0.594 0.568 0.896 0.625 CB 1.392 49 residues pruned to eliminate duplicates Z: 48 23.929 1.930 0.675 0.474 0.894 0.489 CB 1.240 48 residues pruned to eliminate duplicates Z: 63 31.777 2.020 0.726 0.521 0.871 0.565 CB 1.302 63 residues pruned to eliminate duplicates Z: 51 35.925 2.072 0.782 0.574 0.940 0.620 CB 1.363 51 residues pruned to eliminate duplicates Z: 53 34.903 2.062 0.748 0.553 0.942 0.673 CB 1.352 53 residues pruned to eliminate duplicates Z: 36 29.595 2.112 0.651 0.583 0.914 0.629 CB 1.448 36 residues pruned to eliminate duplicates Z: 52 33.251 2.072 0.751 0.535 0.922 0.588 CB 1.345 52 residues pruned to eliminate duplicates Z: 7 8.228 1.741 0.735 0.412 0.833 0.500 CB 1.462 Z: 7 6.816 1.536 0.933 0.448 1.000 0.667 CB 0.989 7 residues pruned to eliminate duplicates Z: 53 30.442 2.034 0.766 0.525 0.904 0.481 CB 1.269 60 residues pruned to eliminate duplicates Z: 60 29.868 2.028 0.680 0.524 0.881 0.627 CB 1.265 60 residues pruned to eliminate duplicates Z: 70 36.203 2.055 0.703 0.565 0.928 0.623 CB 1.261 70 residues pruned to eliminate duplicates Z: 59 28.499 2.036 0.652 0.506 0.879 0.552 CB 1.258 59 residues pruned to eliminate duplicates Z: 71 41.330 2.083 0.719 0.568 0.957 0.671 CB 1.350 71 residues pruned to eliminate duplicates Z: 106 52.762 2.087 0.739 0.562 0.905 0.686 CB 1.477 106 residues pruned to eliminate duplicates Z: 47 37.222 2.134 0.595 0.631 0.935 0.717 CB 1.525 47 residues pruned to eliminate duplicates Z: 71 36.732 2.023 0.725 0.518 0.929 0.614 CB 1.331 71 residues pruned to eliminate duplicates Z: 68 46.364 2.113 0.735 0.604 0.940 0.672 CB 1.489 71 residues pruned to eliminate duplicates Z: 6 5.482 1.623 0.881 0.470 0.600 0.000 CA 1.381 6 residues pruned to eliminate duplicates Z: 56 45.377 2.158 0.842 0.609 0.927 0.709 CB 1.497 56 residues pruned to eliminate duplicates Z: 85 50.558 2.142 0.746 0.582 0.905 0.690 CB 1.506 85 residues pruned to eliminate duplicates Z: 72 51.028 2.145 0.832 0.586 0.944 0.634 CB 1.503 72 residues pruned to eliminate duplicates Z: 65 46.660 2.105 0.824 0.613 0.906 0.656 CB 1.506 73 residues pruned to eliminate duplicates Z: 13 28.078 2.166 0.832 0.873 0.917 0.750 CB 1.624 13 residues pruned to eliminate duplicates 442 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 10 D: 223 E: 53 F: 6 G: 90 H: 42 CC for partial structure against native data = 39.45 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.659, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.774, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.914, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.941, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 0.959, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 0.965, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.968, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.968, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.968, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.965, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2372 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: 11 16.744 1.840 0.960 0.850 0.800 0.800 CB 1.359 B: 9 20.283 2.182 0.686 0.859 0.875 0.875 CB 1.640 9 residues pruned to eliminate duplicates C: 23 27.489 2.037 0.918 0.776 0.864 0.682 CB 1.361 D: 11 22.501 2.205 0.569 0.856 0.900 0.700 CB 1.685 E: 14 23.765 2.042 0.798 0.663 1.000 0.692 CB 1.543 F: 11 32.525 2.248 1.056 0.827 1.000 0.500 CB 1.676 11 residues pruned to eliminate duplicates G: 11 17.758 1.990 0.512 0.748 1.000 0.700 CA 1.495 11 residues pruned to eliminate duplicates H: 19 28.299 2.123 0.909 0.775 0.944 0.833 CB 1.367 I: 16 23.473 1.953 0.444 0.912 1.000 1.000 CB 1.522 16 residues pruned to eliminate duplicates J: 21 15.223 1.910 0.814 0.415 0.750 0.600 CB 1.431 21 residues pruned to eliminate duplicates K: 16 22.605 1.920 0.569 0.927 1.000 0.933 CB 1.358 L: 11 13.777 2.123 0.175 0.754 0.900 0.600 CA 1.547 11 residues pruned to eliminate duplicates M: 81 53.540 2.150 0.964 0.577 0.887 0.675 CB 1.483 37 residues pruned to eliminate duplicates N: 19 22.931 1.977 0.330 0.942 1.000 0.944 CB 1.425 O: 15 30.847 2.077 0.951 0.894 0.929 0.786 CB 1.572 16 residues pruned to eliminate duplicates P: 21 14.619 1.984 0.301 0.773 0.850 0.600 CB 1.171 Q: 13 21.853 1.880 0.733 0.826 1.000 0.750 CA 1.460 13 residues pruned to eliminate duplicates R: 15 29.186 2.117 0.875 0.872 1.000 0.786 CB 1.432 14 residues pruned to eliminate duplicates S: 19 30.276 2.068 0.665 0.927 0.944 0.889 CB 1.538 T: 7 10.289 1.856 1.158 0.546 0.667 0.667 O 1.503 U: 74 37.435 2.056 0.786 0.566 0.849 0.575 CB 1.317 42 residues pruned to eliminate duplicates V: 12 16.891 1.892 0.385 0.872 0.909 0.818 CB 1.558 W: 16 25.631 2.133 1.126 0.677 0.933 0.867 CB 1.328 16 residues pruned to eliminate duplicates X: 11 33.924 2.197 0.923 0.885 1.000 0.600 CB 1.834 11 residues pruned to eliminate duplicates Y: 48 21.200 1.976 0.555 0.443 0.915 0.553 CB 1.168 Z: 15 32.315 2.072 0.998 0.911 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 11 21.645 1.975 0.518 0.921 1.000 1.000 CB 1.606 12 residues pruned to eliminate duplicates Z: 6 11.765 1.853 0.429 0.788 1.000 0.400 CB 1.542 6 residues pruned to eliminate duplicates Z: 13 18.667 1.950 0.794 0.907 0.917 0.833 CB 1.195 13 residues pruned to eliminate duplicates Z: 27 14.441 1.995 0.687 0.323 0.846 0.500 CB 1.208 27 residues pruned to eliminate duplicates Z: 9 14.594 1.780 0.561 0.816 1.000 0.875 N 1.411 9 residues pruned to eliminate duplicates Z: 11 6.989 1.712 0.470 0.409 0.900 0.600 CB 1.073 Z: 17 36.004 2.070 1.171 0.929 1.000 0.625 CB 1.401 18 residues pruned to eliminate duplicates Z: 18 29.076 1.965 0.758 0.922 1.000 0.941 CB 1.436 18 residues pruned to eliminate duplicates Z: 12 22.465 1.990 0.861 0.909 0.909 0.818 CB 1.428 12 residues pruned to eliminate duplicates Z: 52 31.589 2.079 0.637 0.593 0.922 0.706 CB 1.290 52 residues pruned to eliminate duplicates Z: 16 21.224 1.779 0.774 0.779 1.000 0.733 CB 1.358 16 residues pruned to eliminate duplicates Z: 52 31.779 2.077 0.696 0.544 0.902 0.569 CB 1.342 21 residues pruned to eliminate duplicates Z: 20 27.306 2.091 0.717 0.798 1.000 0.737 CB 1.344 20 residues pruned to eliminate duplicates Z: 15 27.592 2.111 0.838 0.867 0.929 0.786 CB 1.497 15 residues pruned to eliminate duplicates Z: 22 29.803 2.052 0.708 0.824 0.952 0.810 CB 1.472 22 residues pruned to eliminate duplicates Z: 9 9.957 1.673 0.444 0.844 0.875 0.875 N 1.239 Z: 88 41.531 2.063 0.800 0.491 0.874 0.598 CB 1.385 88 residues pruned to eliminate duplicates Z: 16 10.033 1.790 0.572 0.401 0.733 0.400 CB 1.394 Z: 13 15.301 1.741 0.632 0.847 1.000 0.750 CB 1.155 Z: 12 20.505 1.881 0.626 0.933 1.000 1.000 CB 1.410 12 residues pruned to eliminate duplicates Z: 22 25.585 2.109 0.660 0.823 0.857 0.619 CB 1.406 22 residues pruned to eliminate duplicates Z: 37 33.084 2.044 0.951 0.674 0.861 0.667 CB 1.368 26 residues pruned to eliminate duplicates Z: 11 19.588 1.914 0.984 0.847 0.800 0.600 CA 1.513 11 residues pruned to eliminate duplicates Z: 29 17.617 1.920 0.512 0.651 0.893 0.893 CB 1.116 22 residues pruned to eliminate duplicates Z: 16 21.612 1.922 0.555 0.904 1.000 0.733 CB 1.330 16 residues pruned to eliminate duplicates Z: 25 16.378 1.936 0.733 0.550 0.875 0.542 CB 1.085 25 residues pruned to eliminate duplicates Z: 23 13.573 1.960 0.288 0.550 0.909 0.591 CB 1.200 23 residues pruned to eliminate duplicates Z: 8 4.413 1.832 0.271 0.440 0.571 0.571 CB 1.333 8 residues pruned to eliminate duplicates Z: 10 24.787 2.188 0.693 0.894 1.000 0.889 CB 1.600 10 residues pruned to eliminate duplicates Z: 15 26.645 1.978 0.717 0.880 1.000 0.786 CB 1.520 15 residues pruned to eliminate duplicates Z: 19 19.755 1.975 0.399 0.798 0.944 0.778 CB 1.375 19 residues pruned to eliminate duplicates Z: 22 29.680 2.036 0.844 0.827 0.952 0.762 CB 1.364 22 residues pruned to eliminate duplicates Z: 12 20.449 2.092 0.972 0.708 0.818 0.727 CB 1.513 12 residues pruned to eliminate duplicates Z: 14 32.520 2.162 0.911 0.925 1.000 1.000 CB 1.532 14 residues pruned to eliminate duplicates Z: 12 17.019 1.980 0.522 0.923 0.909 0.909 CB 1.316 12 residues pruned to eliminate duplicates Z: 17 25.293 2.063 0.601 0.911 1.000 0.812 CB 1.357 17 residues pruned to eliminate duplicates Z: 7 9.136 1.701 0.820 0.693 1.000 0.667 CB 1.010 Z: 18 31.224 2.099 0.907 0.920 1.000 0.882 CB 1.332 18 residues pruned to eliminate duplicates Z: 20 28.291 1.947 0.788 0.887 1.000 0.842 CB 1.344 19 residues pruned to eliminate duplicates Z: 13 18.630 1.996 0.476 0.880 1.000 0.917 CB 1.322 14 residues pruned to eliminate duplicates Z: 7 13.867 1.912 0.727 0.829 0.833 0.833 CB 1.549 8 residues pruned to eliminate duplicates Z: 6 8.361 1.548 0.547 0.750 1.000 0.800 O 1.249 6 residues pruned to eliminate duplicates Z: 20 30.915 2.006 0.935 0.846 1.000 0.789 CB 1.358 20 residues pruned to eliminate duplicates Z: 22 26.008 2.037 0.648 0.795 0.952 0.667 CB 1.371 22 residues pruned to eliminate duplicates Z: 30 11.463 1.730 0.468 0.382 0.759 0.483 CB 1.252 21 residues pruned to eliminate duplicates Z: 13 30.708 2.024 0.902 0.853 1.000 0.833 CB 1.701 13 residues pruned to eliminate duplicates Z: 99 55.315 2.079 0.892 0.572 0.949 0.694 CB 1.396 133 residues pruned to eliminate duplicates Z: 12 20.624 1.901 0.569 0.823 0.909 0.727 CB 1.733 11 residues pruned to eliminate duplicates Z: 21 22.459 1.999 0.610 0.781 0.950 0.700 CB 1.282 21 residues pruned to eliminate duplicates Z: 51 31.052 1.959 0.745 0.608 0.920 0.580 CB 1.261 48 residues pruned to eliminate duplicates Z: 11 28.010 2.193 0.693 0.837 1.000 0.600 CB 1.784 Z: 11 23.430 2.177 0.800 0.876 0.900 0.800 CB 1.527 11 residues pruned to eliminate duplicates Z: 8 12.341 1.940 0.839 0.662 0.857 0.429 N 1.313 8 residues pruned to eliminate duplicates Z: 17 18.074 1.820 0.568 0.725 0.938 0.562 CB 1.379 Z: 8 8.092 1.982 0.360 0.604 0.857 0.714 CB 1.198 Z: 7 3.400 2.027 0.708 0.546 0.667 0.500 CB 0.575 Z: 12 14.644 1.770 0.364 0.907 0.909 0.818 CB 1.430 12 residues pruned to eliminate duplicates Z: 20 28.225 2.007 0.725 0.908 0.947 0.842 CB 1.402 20 residues pruned to eliminate duplicates Z: 19 21.266 1.923 0.259 0.866 1.000 0.833 CB 1.516 19 residues pruned to eliminate duplicates Z: 23 21.218 2.026 0.691 0.725 0.864 0.727 CB 1.247 23 residues pruned to eliminate duplicates Z: 7 7.923 1.949 0.736 0.605 1.000 0.833 CB 0.865 Z: 17 13.502 1.811 0.505 0.756 0.750 0.562 CB 1.315 17 residues pruned to eliminate duplicates Z: 19 31.165 2.051 0.772 0.942 1.000 0.722 CB 1.402 19 residues pruned to eliminate duplicates Z: 19 31.424 2.035 0.742 0.936 1.000 1.000 CB 1.455 19 residues pruned to eliminate duplicates Z: 11 13.828 1.874 0.419 0.848 1.000 0.900 CB 1.220 11 residues pruned to eliminate duplicates Z: 15 12.158 1.757 0.917 0.452 0.857 0.571 N 1.182 8 residues pruned to eliminate duplicates Z: 16 13.491 1.874 0.603 0.697 0.733 0.600 CB 1.322 16 residues pruned to eliminate duplicates Z: 13 12.738 1.712 0.643 0.792 0.833 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 8 14.210 1.812 0.972 0.807 0.857 0.571 CB 1.341 8 residues pruned to eliminate duplicates Z: 20 30.590 1.987 0.917 0.855 1.000 0.684 CB 1.360 20 residues pruned to eliminate duplicates Z: 13 9.111 1.910 0.966 0.318 0.750 0.500 CB 1.143 7 residues pruned to eliminate duplicates Z: 11 27.351 2.182 0.872 0.875 1.000 0.800 CB 1.539 11 residues pruned to eliminate duplicates Z: 71 33.164 1.981 0.710 0.477 0.857 0.529 CB 1.397 55 residues pruned to eliminate duplicates Z: 20 24.679 2.070 0.798 0.825 0.947 0.684 CB 1.212 20 residues pruned to eliminate duplicates Z: 12 24.384 2.013 0.902 0.876 1.000 0.909 CB 1.396 12 residues pruned to eliminate duplicates Z: 19 29.223 2.046 0.753 0.847 1.000 0.889 CB 1.425 19 residues pruned to eliminate duplicates Z: 21 23.859 2.051 0.524 0.799 0.950 0.650 CB 1.383 21 residues pruned to eliminate duplicates Z: 12 23.259 2.032 0.817 0.902 1.000 0.909 CB 1.355 12 residues pruned to eliminate duplicates Z: 8 10.447 2.006 0.498 0.549 0.857 0.714 CB 1.461 Z: 15 10.215 2.054 0.400 0.391 0.857 0.357 CB 1.243 15 residues pruned to eliminate duplicates Z: 18 30.304 1.987 0.633 0.913 1.000 0.882 CB 1.603 18 residues pruned to eliminate duplicates Z: 8 9.055 1.749 0.776 0.800 0.714 0.571 N 1.187 8 residues pruned to eliminate duplicates Z: 15 19.667 1.845 0.818 0.845 0.857 0.857 CB 1.359 Z: 16 18.159 1.826 0.799 0.859 0.800 0.733 CB 1.313 16 residues pruned to eliminate duplicates Z: 11 26.178 2.085 1.091 0.841 0.900 0.700 N 1.573 11 residues pruned to eliminate duplicates Z: 13 27.142 1.821 0.931 0.881 1.000 0.750 CB 1.614 12 residues pruned to eliminate duplicates Z: 16 26.544 2.082 0.955 0.823 0.933 0.600 CB 1.363 16 residues pruned to eliminate duplicates Z: 14 22.408 2.033 0.494 0.869 1.000 0.923 CB 1.495 14 residues pruned to eliminate duplicates Z: 20 23.925 1.897 0.435 0.901 1.000 0.789 CB 1.439 20 residues pruned to eliminate duplicates Z: 18 32.371 2.266 0.668 0.756 1.000 0.706 CB 1.653 18 residues pruned to eliminate duplicates Z: 21 13.218 1.945 0.578 0.576 0.850 0.550 CB 1.053 21 residues pruned to eliminate duplicates Z: 35 28.350 2.080 0.740 0.595 0.882 0.676 CB 1.390 35 residues pruned to eliminate duplicates Z: 58 45.248 2.093 0.882 0.626 0.912 0.544 CB 1.482 58 residues pruned to eliminate duplicates Z: 6 7.451 1.975 0.643 0.653 0.600 0.400 CB 1.484 Z: 21 23.886 2.069 0.540 0.796 0.950 0.800 CB 1.362 21 residues pruned to eliminate duplicates Z: 53 38.161 2.089 0.804 0.577 0.942 0.692 CB 1.384 52 residues pruned to eliminate duplicates Z: 53 35.678 2.064 0.841 0.490 0.865 0.519 CB 1.520 53 residues pruned to eliminate duplicates Z: 17 19.341 1.862 0.704 0.842 0.875 0.625 CB 1.298 17 residues pruned to eliminate duplicates Z: 28 15.482 1.932 0.568 0.511 0.926 0.556 CB 1.051 28 residues pruned to eliminate duplicates Z: 6 9.713 1.843 0.725 0.767 0.800 0.600 CB 1.348 6 residues pruned to eliminate duplicates Z: 7 11.216 1.729 0.592 0.781 1.000 0.833 CB 1.299 7 residues pruned to eliminate duplicates Z: 7 7.664 1.560 0.761 0.625 0.833 0.333 CA 1.215 7 residues pruned to eliminate duplicates Z: 29 11.884 1.933 0.737 0.296 0.750 0.500 CB 1.121 29 residues pruned to eliminate duplicates Z: 12 8.969 1.897 0.430 0.544 0.727 0.455 CB 1.313 12 residues pruned to eliminate duplicates Z: 7 2.255 1.807 0.914 0.795 0.833 0.833 CB 0.247 Z: 6 4.245 1.736 0.936 0.293 0.600 0.400 O 1.187 Z: 15 20.563 1.957 0.687 0.898 0.857 0.714 CB 1.389 15 residues pruned to eliminate duplicates Z: 9 17.700 1.838 0.814 0.764 1.000 0.625 CB 1.485 9 residues pruned to eliminate duplicates Z: 17 16.373 1.788 0.638 0.665 0.875 0.562 CB 1.371 17 residues pruned to eliminate duplicates Z: 12 8.275 1.861 0.232 0.534 0.909 0.455 CB 1.158 12 residues pruned to eliminate duplicates Z: 14 19.662 2.046 0.622 0.863 0.923 0.692 CB 1.306 14 residues pruned to eliminate duplicates Z: 12 21.492 2.004 1.038 0.828 0.909 0.636 CB 1.315 12 residues pruned to eliminate duplicates Z: 53 43.287 2.139 0.869 0.681 0.923 0.596 CB 1.377 53 residues pruned to eliminate duplicates Z: 21 8.339 1.823 0.565 0.321 0.700 0.550 CB 1.138 21 residues pruned to eliminate duplicates Z: 14 8.405 1.843 0.055 0.748 0.923 0.692 CB 1.041 14 residues pruned to eliminate duplicates Z: 10 21.359 2.314 0.811 0.740 0.889 0.778 CB 1.541 10 residues pruned to eliminate duplicates Z: 42 24.479 2.028 0.736 0.512 0.854 0.659 CB 1.257 42 residues pruned to eliminate duplicates Z: 22 26.439 1.999 0.730 0.806 0.952 0.667 CB 1.342 22 residues pruned to eliminate duplicates Z: 13 17.800 1.934 0.591 0.923 1.000 1.000 CB 1.174 13 residues pruned to eliminate duplicates Z: 7 13.045 1.913 0.695 0.767 1.000 0.833 CB 1.297 7 residues pruned to eliminate duplicates Z: 13 10.851 1.799 0.729 0.504 0.750 0.500 CB 1.338 13 residues pruned to eliminate duplicates Z: 12 11.536 1.806 0.669 0.848 1.000 0.727 CB 0.856 12 residues pruned to eliminate duplicates Z: 60 31.377 2.015 0.726 0.546 0.881 0.627 CB 1.274 71 residues pruned to eliminate duplicates Z: 18 30.129 2.005 1.093 0.846 0.941 0.647 CB 1.374 18 residues pruned to eliminate duplicates Z: 6 2.409 1.679 0.939 0.172 0.400 0.000 CB 1.231 Z: 21 14.869 1.881 0.526 0.566 1.000 0.700 CB 1.087 20 residues pruned to eliminate duplicates Z: 11 17.626 1.914 0.494 0.880 1.000 1.000 CB 1.413 11 residues pruned to eliminate duplicates Z: 23 23.248 2.011 0.842 0.490 0.909 0.500 CB 1.487 Z: 11 13.935 1.816 0.735 0.876 1.000 0.800 CB 1.016 11 residues pruned to eliminate duplicates Z: 16 16.552 1.771 0.672 0.752 0.867 0.600 CB 1.330 16 residues pruned to eliminate duplicates Z: 15 24.763 1.976 0.831 0.739 0.929 0.786 CB 1.591 16 residues pruned to eliminate duplicates Z: 13 25.046 2.050 0.909 0.894 1.000 0.667 CB 1.325 13 residues pruned to eliminate duplicates Z: 13 24.805 2.059 0.741 0.889 1.000 0.833 CB 1.437 13 residues pruned to eliminate duplicates Z: 18 33.682 2.020 1.155 0.886 1.000 0.647 CB 1.354 18 residues pruned to eliminate duplicates Z: 7 5.460 1.695 0.485 0.490 0.667 0.500 O 1.342 Z: 20 27.036 1.970 0.613 0.913 1.000 0.947 CB 1.381 20 residues pruned to eliminate duplicates Z: 21 24.533 1.936 0.684 0.829 0.950 0.650 CB 1.334 21 residues pruned to eliminate duplicates Z: 11 17.131 1.917 0.559 0.872 1.000 0.600 CB 1.321 12 residues pruned to eliminate duplicates Z: 29 28.671 2.134 0.809 0.585 0.893 0.679 CB 1.449 32 residues pruned to eliminate duplicates Z: 6 2.577 1.654 0.091 0.250 0.600 0.400 N 1.418 Z: 16 18.051 1.802 0.718 0.821 0.933 0.667 CB 1.220 15 residues pruned to eliminate duplicates Z: 22 29.534 2.044 0.740 0.842 0.952 0.810 CB 1.418 22 residues pruned to eliminate duplicates Z: 21 26.393 2.013 0.810 0.882 0.950 0.550 CB 1.233 21 residues pruned to eliminate duplicates Z: 11 20.740 2.241 0.649 0.671 1.000 0.600 CB 1.515 11 residues pruned to eliminate duplicates Z: 43 32.838 2.066 0.653 0.618 0.952 0.786 CB 1.394 43 residues pruned to eliminate duplicates Z: 13 14.259 1.860 0.525 0.805 0.833 0.500 CB 1.335 13 residues pruned to eliminate duplicates Z: 13 19.075 1.780 0.665 0.862 1.000 0.833 CB 1.364 13 residues pruned to eliminate duplicates Z: 15 5.619 1.699 0.497 0.367 0.786 0.571 CB 0.867 Z: 11 24.793 2.098 0.821 0.839 1.000 0.700 CB 1.533 11 residues pruned to eliminate duplicates Z: 13 21.444 1.748 0.976 0.902 0.917 0.583 CA 1.394 13 residues pruned to eliminate duplicates Z: 58 40.660 2.131 0.794 0.554 0.912 0.579 CB 1.464 81 residues pruned to eliminate duplicates Z: 11 12.251 1.867 0.657 0.796 0.900 0.700 CB 1.074 11 residues pruned to eliminate duplicates Z: 23 19.245 2.001 0.756 0.670 0.909 0.682 CB 1.098 23 residues pruned to eliminate duplicates 7 1.965 1.629 0.037 0.266 0.833 0.500 CB 0.743 ? Z: 17 14.735 1.808 0.544 0.619 0.812 0.438 CB 1.450 17 residues pruned to eliminate duplicates Z: 17 13.105 1.734 0.867 0.466 0.875 0.500 CB 1.197 15 residues pruned to eliminate duplicates Z: 22 24.006 2.021 0.730 0.795 0.905 0.714 CB 1.279 22 residues pruned to eliminate duplicates Z: 10 10.157 1.780 0.744 0.579 0.889 0.667 CB 1.136 10 residues pruned to eliminate duplicates Z: 10 6.945 1.781 0.305 0.740 0.778 0.556 CB 1.033 10 residues pruned to eliminate duplicates Z: 14 17.072 1.828 0.780 0.890 0.923 0.769 CB 1.135 14 residues pruned to eliminate duplicates Z: 17 21.042 1.919 0.668 0.836 0.938 0.750 CB 1.313 17 residues pruned to eliminate duplicates Z: 13 8.567 1.710 0.922 0.263 1.000 0.500 CB 0.985 Z: 17 17.342 1.870 0.505 0.803 0.938 0.750 CB 1.261 17 residues pruned to eliminate duplicates Z: 7 9.480 1.665 1.015 0.601 0.833 0.667 N 1.257 7 residues pruned to eliminate duplicates Z: 8 5.279 1.768 0.530 0.443 0.857 0.857 CB 0.913 Z: 19 22.538 2.114 0.668 0.672 1.000 0.667 CB 1.286 19 residues pruned to eliminate duplicates Z: 26 15.082 2.000 0.662 0.384 0.880 0.600 CB 1.167 26 residues pruned to eliminate duplicates Z: 19 24.702 2.075 0.545 0.809 1.000 0.778 CB 1.387 19 residues pruned to eliminate duplicates Z: 20 23.764 2.012 0.486 0.911 1.000 0.947 CB 1.292 20 residues pruned to eliminate duplicates Z: 8 8.794 1.884 0.605 0.425 1.000 0.714 CB 1.189 8 residues pruned to eliminate duplicates Z: 16 21.006 1.901 0.631 0.865 1.000 0.933 CB 1.282 16 residues pruned to eliminate duplicates Z: 7 6.894 1.794 0.575 0.582 0.667 0.500 N 1.381 7 residues pruned to eliminate duplicates Z: 14 11.743 1.580 0.557 0.812 0.923 0.615 CB 1.093 14 residues pruned to eliminate duplicates Z: 21 22.778 2.084 0.555 0.804 0.950 0.700 CB 1.269 21 residues pruned to eliminate duplicates Z: 8 7.909 1.869 0.690 0.524 0.714 0.714 CB 1.294 Z: 10 11.445 1.787 0.816 0.612 0.889 0.667 CB 1.189 9 residues pruned to eliminate duplicates Z: 20 30.921 1.936 0.797 0.897 0.947 0.737 CB 1.540 20 residues pruned to eliminate duplicates Z: 21 16.054 1.682 0.624 0.680 0.850 0.600 CB 1.311 21 residues pruned to eliminate duplicates Z: 31 18.578 2.001 0.533 0.528 0.867 0.600 CB 1.241 31 residues pruned to eliminate duplicates Z: 14 22.251 1.883 1.131 0.909 0.923 0.769 CB 1.183 14 residues pruned to eliminate duplicates Z: 11 11.751 1.952 0.510 0.723 0.800 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 14 22.484 2.086 0.792 0.815 0.846 0.846 CB 1.498 14 residues pruned to eliminate duplicates Z: 50 46.182 2.124 0.902 0.682 0.959 0.694 CB 1.440 50 residues pruned to eliminate duplicates Z: 18 18.571 1.915 0.710 0.859 0.882 0.824 CB 1.147 24 residues pruned to eliminate duplicates Z: 18 31.665 2.046 0.816 0.888 1.000 0.824 CB 1.489 18 residues pruned to eliminate duplicates Z: 45 20.183 1.871 0.606 0.379 0.886 0.568 CB 1.299 7 residues pruned to eliminate duplicates Z: 19 21.478 1.909 0.435 0.882 0.944 0.833 CB 1.417 19 residues pruned to eliminate duplicates Z: 7 2.911 1.716 0.195 0.513 0.500 0.333 CB 1.145 Z: 21 12.381 1.878 0.664 0.527 0.800 0.650 CB 1.078 21 residues pruned to eliminate duplicates Z: 38 30.486 2.058 0.789 0.604 0.946 0.622 CB 1.304 38 residues pruned to eliminate duplicates Z: 30 15.446 1.801 0.375 0.593 0.897 0.655 CB 1.182 30 residues pruned to eliminate duplicates Z: 7 8.568 1.777 0.834 0.701 1.000 0.500 CB 0.894 Z: 6 4.840 1.442 0.866 0.816 0.800 0.600 N 0.764 6 residues pruned to eliminate duplicates Z: 19 27.774 1.935 1.126 0.887 0.944 0.278 CB 1.215 19 residues pruned to eliminate duplicates Z: 17 16.637 1.917 0.446 0.862 0.938 0.875 CB 1.175 17 residues pruned to eliminate duplicates Z: 13 34.291 2.141 0.884 0.896 1.000 0.833 CB 1.757 13 residues pruned to eliminate duplicates Z: 32 21.718 2.075 0.538 0.518 0.903 0.613 CB 1.328 31 residues pruned to eliminate duplicates Z: 10 14.648 2.002 0.320 0.839 1.000 0.667 CB 1.381 10 residues pruned to eliminate duplicates Z: 15 20.092 1.964 0.465 0.900 0.929 0.857 CB 1.435 15 residues pruned to eliminate duplicates Z: 79 28.612 1.927 0.538 0.497 0.910 0.603 CB 1.205 39 residues pruned to eliminate duplicates Z: 53 31.195 2.011 0.655 0.573 0.904 0.692 CB 1.340 53 residues pruned to eliminate duplicates Z: 12 20.222 1.903 0.632 0.900 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 8 3.319 1.878 0.506 0.325 0.714 0.429 CB 0.753 Z: 14 28.252 2.158 0.647 0.926 1.000 0.846 CB 1.546 14 residues pruned to eliminate duplicates Z: 6 5.100 1.792 0.629 0.727 0.600 0.400 CB 1.061 Z: 49 26.713 1.923 0.722 0.522 0.917 0.604 CB 1.243 49 residues pruned to eliminate duplicates 7 1.617 1.183 0.365 0.284 0.833 0.333 C 0.625 ? Z: 21 16.924 1.710 0.387 0.773 0.950 0.600 CB 1.319 20 residues pruned to eliminate duplicates Z: 11 20.179 2.204 0.705 0.737 0.900 0.700 CB 1.525 11 residues pruned to eliminate duplicates Z: 8 3.841 1.677 0.869 0.800 1.000 0.429 CB 0.356 Z: 21 23.739 2.032 0.547 0.809 1.000 0.700 CB 1.290 21 residues pruned to eliminate duplicates Z: 6 8.366 1.492 0.682 0.838 1.000 1.000 N 1.115 6 residues pruned to eliminate duplicates Z: 8 10.718 1.720 0.855 0.714 0.857 0.714 CB 1.220 8 residues pruned to eliminate duplicates Z: 10 14.169 2.025 0.962 0.405 0.889 0.333 CB 1.478 10 residues pruned to eliminate duplicates Z: 19 19.795 1.780 0.606 0.729 0.944 0.444 CB 1.406 19 residues pruned to eliminate duplicates Z: 6 3.760 1.593 0.744 0.870 1.000 1.000 CB 0.442 Z: 6 6.389 1.696 0.130 0.741 1.000 0.800 CB 1.202 6 residues pruned to eliminate duplicates Z: 6 4.986 1.432 0.973 0.791 0.800 0.800 CA 0.764 Z: 9 6.599 1.816 0.584 0.688 0.875 0.750 CB 0.780 Z: 6 2.091 1.803 0.081 0.505 1.000 0.400 CB 0.478 Z: 13 21.179 1.851 0.664 0.900 1.000 0.750 CB 1.417 14 residues pruned to eliminate duplicates Z: 14 13.137 1.844 0.493 0.655 0.923 0.692 CB 1.242 14 residues pruned to eliminate duplicates Z: 7 5.217 1.730 0.601 0.281 0.833 0.333 N 1.182 Z: 10 4.753 1.534 0.618 0.354 0.778 0.333 CB 0.961 Z: 14 17.884 1.932 0.743 0.873 1.000 0.923 CB 1.072 14 residues pruned to eliminate duplicates Z: 12 20.343 1.758 0.647 0.853 1.000 0.727 O 1.566 12 residues pruned to eliminate duplicates Z: 10 12.067 1.952 0.387 0.857 1.000 0.778 CB 1.095 10 residues pruned to eliminate duplicates Z: 10 8.382 1.856 0.479 0.588 0.889 0.333 CB 1.052 10 residues pruned to eliminate duplicates Z: 9 7.439 1.668 0.837 0.472 0.750 0.500 CB 1.178 Z: 18 30.341 2.070 0.829 0.881 1.000 0.765 CB 1.408 18 residues pruned to eliminate duplicates Z: 42 22.991 2.035 0.635 0.434 0.902 0.659 CB 1.281 42 residues pruned to eliminate duplicates Z: 14 16.264 1.875 0.796 0.884 1.000 0.846 CB 0.968 14 residues pruned to eliminate duplicates Z: 17 11.131 2.010 0.576 0.394 0.875 0.562 CB 1.122 17 residues pruned to eliminate duplicates Z: 19 24.109 1.996 0.375 0.930 1.000 0.889 CB 1.447 19 residues pruned to eliminate duplicates Z: 9 9.203 1.757 0.458 0.727 0.875 0.625 CB 1.183 16 residues pruned to eliminate duplicates Z: 94 56.093 2.119 0.843 0.606 0.935 0.634 CB 1.439 94 residues pruned to eliminate duplicates Z: 11 11.525 1.958 0.256 0.839 1.000 0.800 CB 1.107 11 residues pruned to eliminate duplicates Z: 6 7.189 2.053 0.122 0.778 1.000 0.600 CB 1.092 6 residues pruned to eliminate duplicates Z: 39 29.594 2.070 0.779 0.576 0.895 0.553 CB 1.354 39 residues pruned to eliminate duplicates Z: 13 7.352 1.718 0.432 0.340 0.917 0.417 CB 1.120 Z: 6 3.689 1.141 0.666 0.773 1.000 0.800 CB 0.682 Z: 32 24.389 1.954 0.861 0.672 0.935 0.677 CB 1.099 32 residues pruned to eliminate duplicates Z: 20 11.530 1.743 0.692 0.426 0.789 0.526 CB 1.228 14 residues pruned to eliminate duplicates Z: 63 34.353 1.963 0.803 0.561 0.919 0.613 CB 1.263 62 residues pruned to eliminate duplicates Z: 11 9.542 1.845 0.511 0.779 0.900 0.700 CB 0.940 11 residues pruned to eliminate duplicates Z: 7 3.137 1.599 1.198 0.249 0.667 0.333 N 0.730 Z: 8 5.538 1.921 0.660 0.822 1.000 1.000 CB 0.497 8 residues pruned to eliminate duplicates Z: 6 3.430 1.584 0.321 0.482 0.600 0.600 CB 1.244 Z: 42 16.963 1.859 0.612 0.362 0.805 0.463 CB 1.275 37 residues pruned to eliminate duplicates Z: 14 5.174 1.674 0.389 0.155 0.769 0.154 N 1.225 14 residues pruned to eliminate duplicates Z: 28 13.108 1.880 0.587 0.331 0.852 0.444 CB 1.195 28 residues pruned to eliminate duplicates Z: 56 29.906 2.015 0.703 0.544 0.873 0.636 CB 1.290 56 residues pruned to eliminate duplicates Z: 6 2.765 1.539 0.417 0.368 0.600 0.400 CB 1.088 Z: 8 5.050 1.845 0.056 0.371 0.857 0.286 CB 1.312 Z: 17 17.279 1.688 0.684 0.815 0.938 0.688 CA 1.233 17 residues pruned to eliminate duplicates Z: 24 12.755 1.713 0.376 0.522 0.957 0.522 CB 1.155 22 residues pruned to eliminate duplicates Z: 6 3.239 1.886 0.312 0.447 0.600 0.600 CB 1.030 Z: 9 3.400 1.544 0.792 0.358 0.750 0.500 CB 0.675 Z: 7 3.458 1.811 0.615 0.247 0.667 0.500 CB 0.969 7 residues pruned to eliminate duplicates Z: 14 11.915 1.720 0.433 0.592 1.000 0.615 CB 1.227 14 residues pruned to eliminate duplicates Z: 14 25.261 1.914 1.260 0.886 0.923 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 20 27.765 1.929 1.052 0.890 0.947 0.789 CB 1.223 20 residues pruned to eliminate duplicates Z: 6 3.266 1.353 0.886 0.473 0.800 0.600 N 0.736 Z: 15 21.192 2.074 0.709 0.833 1.000 0.786 CB 1.199 15 residues pruned to eliminate duplicates Z: 17 17.905 2.179 0.677 0.652 0.812 0.625 CB 1.308 17 residues pruned to eliminate duplicates Z: 11 13.146 1.827 0.550 0.796 0.900 0.800 CB 1.258 11 residues pruned to eliminate duplicates Z: 15 14.885 1.858 0.888 0.790 0.929 0.643 CB 0.947 15 residues pruned to eliminate duplicates Z: 12 10.689 1.853 0.287 0.717 1.000 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 11 15.860 1.932 0.514 0.866 0.900 0.800 CB 1.395 13 residues pruned to eliminate duplicates Z: 6 3.578 1.625 0.069 0.356 1.000 0.600 N 1.076 6 residues pruned to eliminate duplicates Z: 18 20.665 2.130 0.743 0.641 0.824 0.647 CB 1.437 18 residues pruned to eliminate duplicates Z: 25 20.611 1.986 0.672 0.526 0.958 0.708 CB 1.289 25 residues pruned to eliminate duplicates Z: 7 12.199 1.943 1.045 0.883 1.000 0.833 CB 0.906 7 residues pruned to eliminate duplicates Z: 19 22.684 2.228 0.743 0.662 0.889 0.667 CB 1.334 19 residues pruned to eliminate duplicates Z: 12 5.625 1.662 0.643 0.333 0.818 0.364 CB 0.912 Z: 6 7.211 1.915 1.219 0.840 0.800 0.800 CB 0.708 Z: 9 6.526 1.214 0.857 0.743 0.875 0.625 N 0.942 Z: 6 5.627 1.874 0.456 0.358 0.800 0.600 CB 1.344 Z: 14 10.839 1.745 0.724 0.358 0.769 0.538 CB 1.515 14 residues pruned to eliminate duplicates Z: 24 26.124 1.908 0.811 0.758 0.913 0.826 CB 1.373 24 residues pruned to eliminate duplicates Z: 13 9.134 2.131 0.310 0.439 0.750 0.417 CB 1.341 13 residues pruned to eliminate duplicates Z: 20 13.611 1.866 1.050 0.446 0.684 0.526 CB 1.261 20 residues pruned to eliminate duplicates Z: 34 31.057 2.034 0.704 0.674 0.939 0.758 CB 1.415 34 residues pruned to eliminate duplicates Z: 24 16.834 2.014 0.783 0.395 0.783 0.609 CB 1.395 24 residues pruned to eliminate duplicates Z: 9 3.878 1.672 0.282 0.419 0.875 0.750 N 0.796 Z: 6 2.647 1.621 0.535 0.299 0.600 0.400 CB 0.993 Z: 48 31.450 1.933 0.759 0.606 0.915 0.617 CB 1.333 55 residues pruned to eliminate duplicates Z: 8 9.485 1.726 0.845 0.830 1.000 0.714 CB 0.847 6 residues pruned to eliminate duplicates Z: 19 18.038 1.766 0.673 0.745 0.889 0.667 CB 1.300 19 residues pruned to eliminate duplicates Z: 8 15.082 1.995 0.923 0.663 0.857 0.857 CB 1.491 8 residues pruned to eliminate duplicates Z: 25 19.867 1.905 0.583 0.682 0.833 0.792 CB 1.365 25 residues pruned to eliminate duplicates Z: 44 29.655 1.948 0.803 0.637 0.884 0.651 CB 1.281 44 residues pruned to eliminate duplicates Z: 23 9.880 1.926 0.729 0.260 0.727 0.455 CB 1.144 23 residues pruned to eliminate duplicates Z: 24 19.014 1.966 1.001 0.408 0.783 0.522 CB 1.418 24 residues pruned to eliminate duplicates Z: 22 22.430 1.993 0.584 0.822 0.952 0.762 CB 1.231 22 residues pruned to eliminate duplicates Z: 81 46.070 2.095 0.752 0.559 0.913 0.575 CB 1.452 81 residues pruned to eliminate duplicates Z: 12 19.978 1.808 1.084 0.884 0.909 0.727 CB 1.271 11 residues pruned to eliminate duplicates Z: 21 14.061 1.885 0.709 0.515 0.850 0.600 CB 1.132 21 residues pruned to eliminate duplicates Z: 10 13.138 1.716 0.949 0.616 0.889 0.333 O 1.320 10 residues pruned to eliminate duplicates Z: 48 17.932 1.936 0.473 0.364 0.894 0.596 CB 1.188 48 residues pruned to eliminate duplicates Z: 11 25.878 2.062 1.406 0.853 0.900 0.500 CB 1.355 11 residues pruned to eliminate duplicates Z: 22 25.201 2.098 0.730 0.648 1.000 0.857 CB 1.321 25 residues pruned to eliminate duplicates Z: 71 33.398 1.919 0.685 0.556 0.886 0.557 CB 1.320 104 residues pruned to eliminate duplicates Z: 6 5.183 1.656 0.502 0.524 0.800 0.600 CB 1.138 Z: 10 5.020 1.683 0.485 0.350 0.889 0.556 CB 0.887 10 residues pruned to eliminate duplicates Z: 38 26.503 1.929 0.615 0.632 0.946 0.730 CB 1.306 38 residues pruned to eliminate duplicates Z: 7 2.802 1.529 0.147 0.736 0.833 0.833 CB 0.633 Z: 26 14.486 1.987 0.557 0.353 0.840 0.600 CB 1.307 26 residues pruned to eliminate duplicates Z: 20 28.197 1.920 0.728 0.920 0.947 0.737 CB 1.449 20 residues pruned to eliminate duplicates Z: 46 23.931 1.994 0.658 0.426 0.933 0.644 CB 1.249 46 residues pruned to eliminate duplicates Z: 19 25.540 2.123 0.801 0.726 0.944 0.722 CB 1.359 19 residues pruned to eliminate duplicates Z: 30 15.312 1.888 0.558 0.416 0.897 0.483 CB 1.177 30 residues pruned to eliminate duplicates Z: 66 47.842 2.132 0.864 0.577 0.908 0.631 CB 1.528 66 residues pruned to eliminate duplicates Z: 37 27.029 1.940 0.532 0.647 0.917 0.611 CB 1.441 37 residues pruned to eliminate duplicates Z: 11 10.113 1.848 0.193 0.864 1.000 0.800 CB 1.063 11 residues pruned to eliminate duplicates Z: 11 5.855 1.891 0.353 0.500 0.700 0.600 CB 1.034 11 residues pruned to eliminate duplicates Z: 7 4.155 1.463 0.746 0.278 0.833 0.500 CB 1.025 Z: 7 4.677 1.493 0.340 0.594 0.667 0.500 O 1.309 Z: 6 11.194 1.855 0.727 0.757 1.000 0.800 CB 1.243 Z: 7 5.272 1.634 0.413 0.503 0.833 0.667 N 1.115 Z: 18 8.190 1.621 0.498 0.390 0.824 0.471 CB 1.116 18 residues pruned to eliminate duplicates Z: 6 3.320 1.756 -0.153 0.459 1.000 0.400 CB 1.042 Z: 55 36.396 2.047 0.803 0.614 0.907 0.630 CB 1.328 55 residues pruned to eliminate duplicates Z: 12 10.156 1.790 0.340 0.835 0.909 0.727 CB 1.052 12 residues pruned to eliminate duplicates Z: 29 19.824 1.932 0.276 0.636 0.929 0.714 CB 1.441 29 residues pruned to eliminate duplicates Z: 9 7.895 1.530 1.077 0.595 0.875 0.625 CB 0.918 9 residues pruned to eliminate duplicates Z: 9 3.939 1.760 0.274 0.279 0.875 0.625 CB 0.912 9 residues pruned to eliminate duplicates Z: 47 20.991 1.981 0.580 0.465 0.891 0.696 CB 1.150 47 residues pruned to eliminate duplicates Z: 16 7.215 1.693 0.568 0.358 0.800 0.200 CB 1.022 Z: 24 25.283 2.109 0.741 0.561 0.913 0.783 CB 1.482 24 residues pruned to eliminate duplicates Z: 6 2.014 1.313 0.511 0.583 0.800 0.400 O 0.524 Z: 13 8.670 1.782 0.413 0.395 0.833 0.417 N 1.333 Z: 16 21.376 2.024 0.727 0.603 0.933 0.867 CB 1.534 16 residues pruned to eliminate duplicates Z: 7 9.683 1.811 0.579 0.490 1.000 0.833 CA 1.396 7 residues pruned to eliminate duplicates Z: 10 12.900 1.776 0.675 0.895 1.000 0.889 CB 1.036 Z: 12 9.013 1.746 0.542 0.766 0.727 0.727 CB 1.096 12 residues pruned to eliminate duplicates Z: 26 15.812 2.010 0.555 0.334 0.920 0.680 CB 1.319 26 residues pruned to eliminate duplicates Z: 12 6.553 1.656 0.778 0.559 0.818 0.455 CB 0.774 21 residues pruned to eliminate duplicates Z: 10 3.612 1.707 0.475 0.185 0.556 0.333 CA 1.257 Z: 11 19.763 1.963 0.893 0.895 1.000 0.700 CB 1.206 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 26.281 1.951 0.805 0.887 1.000 0.727 CB 1.622 12 residues pruned to eliminate duplicates Z: 13 18.510 1.814 0.715 0.820 0.833 0.667 CA 1.561 13 residues pruned to eliminate duplicates Z: 50 17.074 1.826 0.496 0.446 0.878 0.571 CB 1.076 60 residues pruned to eliminate duplicates Z: 12 21.306 1.906 0.755 0.884 0.909 0.545 CB 1.526 12 residues pruned to eliminate duplicates Z: 10 19.528 2.089 0.572 0.824 0.889 0.778 CB 1.684 10 residues pruned to eliminate duplicates Z: 16 11.390 1.943 0.738 0.523 0.800 0.467 CB 1.065 16 residues pruned to eliminate duplicates Z: 15 10.818 1.978 0.563 0.646 0.857 0.714 CB 0.952 15 residues pruned to eliminate duplicates Z: 13 11.798 2.023 0.763 0.615 0.750 0.667 CB 1.142 13 residues pruned to eliminate duplicates Z: 18 12.701 1.885 0.584 0.522 0.765 0.588 CB 1.320 18 residues pruned to eliminate duplicates Z: 12 21.240 1.908 0.840 0.781 0.909 0.727 CB 1.566 12 residues pruned to eliminate duplicates Z: 8 5.602 1.814 0.766 0.742 0.857 0.571 CB 0.621 Z: 7 6.488 1.918 1.027 0.870 1.000 1.000 CB 0.497 7 residues pruned to eliminate duplicates Z: 12 16.424 1.758 0.548 0.821 0.909 0.636 CB 1.515 12 residues pruned to eliminate duplicates Z: 12 15.868 1.794 0.501 0.830 1.000 0.455 CB 1.336 12 residues pruned to eliminate duplicates Z: 12 6.705 1.869 0.488 0.659 0.818 0.636 CB 0.766 12 residues pruned to eliminate duplicates Z: 11 10.543 2.008 0.396 0.756 0.900 0.800 CB 1.053 11 residues pruned to eliminate duplicates Z: 14 11.569 1.828 0.407 0.724 0.846 0.692 CB 1.204 13 residues pruned to eliminate duplicates Z: 12 14.291 1.782 0.656 0.795 1.000 0.636 CB 1.128 12 residues pruned to eliminate duplicates Z: 10 20.115 2.024 0.888 0.881 1.000 0.889 CB 1.271 10 residues pruned to eliminate duplicates Z: 11 8.542 1.978 0.434 0.710 0.800 0.600 CB 0.984 11 residues pruned to eliminate duplicates Z: 38 28.755 1.948 0.544 0.685 0.919 0.730 CB 1.443 38 residues pruned to eliminate duplicates Z: 18 14.080 1.857 0.399 0.619 0.824 0.588 CB 1.426 18 residues pruned to eliminate duplicates Z: 45 28.747 1.947 0.618 0.628 0.864 0.659 CB 1.412 45 residues pruned to eliminate duplicates Z: 42 33.072 1.954 0.649 0.689 0.976 0.683 CB 1.382 42 residues pruned to eliminate duplicates Z: 19 18.303 1.940 0.512 0.599 0.889 0.556 CB 1.505 19 residues pruned to eliminate duplicates Z: 42 28.080 2.010 0.532 0.659 0.878 0.659 CB 1.400 42 residues pruned to eliminate duplicates Z: 10 11.507 1.839 0.685 0.489 0.889 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 41 27.999 1.968 0.399 0.703 0.900 0.725 CB 1.484 41 residues pruned to eliminate duplicates Z: 43 26.048 1.940 0.507 0.618 0.905 0.667 CB 1.359 43 residues pruned to eliminate duplicates Z: 41 29.941 1.959 0.529 0.679 0.925 0.625 CB 1.450 41 residues pruned to eliminate duplicates Z: 33 30.174 2.020 0.600 0.692 0.938 0.750 CB 1.477 33 residues pruned to eliminate duplicates Z: 26 17.934 1.876 0.544 0.621 0.920 0.560 CB 1.201 26 residues pruned to eliminate duplicates Z: 32 20.890 1.834 0.736 0.559 0.903 0.613 CB 1.231 32 residues pruned to eliminate duplicates Z: 35 27.988 1.967 0.637 0.654 0.912 0.647 CB 1.417 35 residues pruned to eliminate duplicates Z: 35 28.834 1.951 0.639 0.683 0.941 0.559 CB 1.389 35 residues pruned to eliminate duplicates Z: 39 23.436 1.913 0.519 0.544 0.895 0.632 CB 1.400 39 residues pruned to eliminate duplicates Z: 39 28.574 1.923 0.492 0.663 0.921 0.658 CB 1.508 39 residues pruned to eliminate duplicates Z: 91 30.348 1.965 0.541 0.457 0.822 0.567 CB 1.342 114 residues pruned to eliminate duplicates Z: 17 19.742 1.866 0.613 0.756 0.875 0.625 CB 1.492 17 residues pruned to eliminate duplicates Z: 39 29.347 1.943 0.602 0.675 0.921 0.684 CB 1.414 39 residues pruned to eliminate duplicates Z: 81 29.005 1.902 0.534 0.550 0.850 0.500 CB 1.245 81 residues pruned to eliminate duplicates Z: 42 33.387 1.981 0.540 0.713 0.951 0.683 CB 1.482 42 residues pruned to eliminate duplicates Z: 17 19.602 1.983 0.658 0.690 0.875 0.688 CB 1.431 17 residues pruned to eliminate duplicates Z: 40 25.745 1.889 0.534 0.686 0.923 0.590 CB 1.299 40 residues pruned to eliminate duplicates Z: 38 34.980 2.001 0.607 0.717 1.000 0.703 CB 1.469 38 residues pruned to eliminate duplicates Z: 52 27.000 1.915 0.500 0.642 0.902 0.549 CB 1.278 52 residues pruned to eliminate duplicates Z: 23 24.438 2.041 0.648 0.743 0.909 0.545 CB 1.371 23 residues pruned to eliminate duplicates Z: 34 32.398 1.966 0.695 0.726 0.939 0.758 CB 1.471 34 residues pruned to eliminate duplicates Z: 41 27.983 1.928 0.733 0.628 0.900 0.625 CB 1.304 41 residues pruned to eliminate duplicates Z: 42 33.592 1.969 0.761 0.697 0.902 0.707 CB 1.401 42 residues pruned to eliminate duplicates Z: 40 27.211 1.953 0.707 0.654 0.897 0.692 CB 1.262 40 residues pruned to eliminate duplicates Z: 60 33.359 1.966 0.705 0.604 0.932 0.508 CB 1.258 60 residues pruned to eliminate duplicates Z: 43 27.972 2.009 0.611 0.650 0.929 0.690 CB 1.249 43 residues pruned to eliminate duplicates Z: 58 26.472 1.904 0.665 0.546 0.842 0.491 CB 1.256 58 residues pruned to eliminate duplicates Z: 43 30.002 1.940 0.764 0.596 0.929 0.548 CB 1.330 43 residues pruned to eliminate duplicates Z: 40 29.188 1.967 0.739 0.658 0.872 0.564 CB 1.353 40 residues pruned to eliminate duplicates Z: 11 16.933 1.972 0.942 0.690 1.000 0.600 CB 1.174 11 residues pruned to eliminate duplicates Z: 43 32.261 1.977 0.703 0.694 0.929 0.643 CB 1.333 43 residues pruned to eliminate duplicates Z: 39 29.124 1.956 0.723 0.663 0.921 0.632 CB 1.308 39 residues pruned to eliminate duplicates Z: 11 14.799 1.947 0.690 0.786 1.000 0.600 CB 1.106 11 residues pruned to eliminate duplicates Z: 40 29.971 1.946 0.678 0.681 0.949 0.590 CB 1.313 40 residues pruned to eliminate duplicates Z: 65 31.827 1.960 0.562 0.607 0.906 0.609 CB 1.294 65 residues pruned to eliminate duplicates Z: 40 18.283 1.958 0.392 0.504 0.923 0.564 CB 1.159 40 residues pruned to eliminate duplicates Z: 20 16.018 2.009 0.417 0.563 0.947 0.632 CB 1.282 20 residues pruned to eliminate duplicates Z: 21 13.814 1.971 0.343 0.610 0.950 0.700 CB 1.107 21 residues pruned to eliminate duplicates Z: 20 17.875 2.025 0.590 0.646 0.947 0.842 CB 1.173 20 residues pruned to eliminate duplicates Z: 24 13.805 1.929 0.444 0.586 0.913 0.696 CB 1.042 24 residues pruned to eliminate duplicates Z: 58 22.077 1.977 0.535 0.517 0.877 0.702 CB 1.080 58 residues pruned to eliminate duplicates Z: 31 15.700 1.862 0.584 0.539 0.867 0.667 CB 1.080 31 residues pruned to eliminate duplicates Z: 21 18.563 1.972 0.617 0.655 0.950 0.900 CB 1.186 21 residues pruned to eliminate duplicates Z: 26 15.926 1.946 0.557 0.525 0.880 0.600 CB 1.165 26 residues pruned to eliminate duplicates Z: 48 22.684 1.976 0.568 0.458 0.894 0.596 CB 1.247 48 residues pruned to eliminate duplicates Z: 23 15.477 1.956 0.423 0.652 0.955 0.818 CB 1.079 23 residues pruned to eliminate duplicates Z: 18 18.218 2.072 0.446 0.690 1.000 0.824 CB 1.239 18 residues pruned to eliminate duplicates Z: 20 18.838 2.005 0.583 0.655 0.947 0.789 CB 1.245 20 residues pruned to eliminate duplicates Z: 17 23.320 2.068 0.676 0.715 1.000 0.875 CB 1.385 17 residues pruned to eliminate duplicates Z: 30 16.823 1.959 0.519 0.606 0.897 0.759 CB 1.059 30 residues pruned to eliminate duplicates Z: 62 35.208 1.947 0.722 0.631 0.951 0.607 CB 1.250 62 residues pruned to eliminate duplicates Z: 30 20.571 1.992 0.563 0.632 0.897 0.724 CB 1.210 30 residues pruned to eliminate duplicates Z: 55 27.453 1.989 0.713 0.462 0.963 0.593 CB 1.183 55 residues pruned to eliminate duplicates Z: 38 18.429 2.006 0.498 0.430 0.919 0.703 CB 1.179 38 residues pruned to eliminate duplicates Z: 46 19.044 1.959 0.593 0.377 0.844 0.600 CB 1.229 46 residues pruned to eliminate duplicates Z: 39 16.517 1.955 0.759 0.394 0.868 0.500 CB 1.004 39 residues pruned to eliminate duplicates Z: 44 21.688 2.043 0.497 0.418 0.907 0.721 CB 1.299 44 residues pruned to eliminate duplicates Z: 16 11.792 1.954 0.518 0.408 0.933 0.267 CB 1.211 16 residues pruned to eliminate duplicates Z: 43 21.553 2.042 0.668 0.371 0.881 0.571 CB 1.272 43 residues pruned to eliminate duplicates Z: 55 19.085 1.909 0.712 0.341 0.833 0.500 CB 1.134 55 residues pruned to eliminate duplicates Z: 40 19.730 2.018 0.578 0.374 0.897 0.692 CB 1.265 40 residues pruned to eliminate duplicates Z: 47 19.941 1.985 0.660 0.414 0.826 0.522 CB 1.182 47 residues pruned to eliminate duplicates Z: 56 24.259 1.982 0.720 0.492 0.836 0.582 CB 1.156 56 residues pruned to eliminate duplicates Z: 28 15.206 1.962 0.637 0.303 0.889 0.630 CB 1.277 28 residues pruned to eliminate duplicates Z: 35 22.305 2.013 0.605 0.478 0.941 0.618 CB 1.287 35 residues pruned to eliminate duplicates Z: 29 17.649 1.987 0.833 0.312 0.893 0.500 CB 1.263 29 residues pruned to eliminate duplicates Z: 57 28.312 1.969 0.807 0.464 0.964 0.589 CB 1.144 57 residues pruned to eliminate duplicates Z: 44 23.922 1.999 0.716 0.369 0.907 0.628 CB 1.349 44 residues pruned to eliminate duplicates Z: 24 15.067 2.022 0.668 0.343 0.913 0.565 CB 1.211 24 residues pruned to eliminate duplicates Z: 48 20.309 2.011 0.643 0.399 0.915 0.596 CB 1.091 48 residues pruned to eliminate duplicates Z: 30 15.272 1.935 0.780 0.289 0.897 0.483 CB 1.164 30 residues pruned to eliminate duplicates Z: 29 24.363 2.050 0.836 0.538 0.857 0.714 CB 1.374 20 residues pruned to eliminate duplicates Z: 14 15.155 1.939 0.697 0.759 0.923 0.692 CB 1.099 14 residues pruned to eliminate duplicates Z: 29 28.089 2.050 0.912 0.588 0.929 0.786 CB 1.341 29 residues pruned to eliminate duplicates Z: 7 12.765 2.091 0.641 0.614 1.000 0.333 CB 1.362 7 residues pruned to eliminate duplicates Z: 61 28.049 2.034 0.614 0.467 0.933 0.600 CB 1.223 61 residues pruned to eliminate duplicates Z: 23 23.184 2.071 0.691 0.607 0.955 0.864 CB 1.335 23 residues pruned to eliminate duplicates Z: 35 18.321 1.952 0.553 0.453 0.882 0.618 CB 1.232 35 residues pruned to eliminate duplicates Z: 22 23.485 2.093 0.689 0.654 0.952 0.857 CB 1.320 22 residues pruned to eliminate duplicates Z: 26 20.099 2.052 0.620 0.553 0.920 0.640 CB 1.248 26 residues pruned to eliminate duplicates Z: 32 19.147 1.930 0.629 0.491 0.903 0.581 CB 1.223 32 residues pruned to eliminate duplicates Z: 46 26.686 2.069 0.587 0.486 0.978 0.667 CB 1.257 46 residues pruned to eliminate duplicates Z: 63 34.213 2.058 0.718 0.495 0.935 0.694 CB 1.319 63 residues pruned to eliminate duplicates Z: 53 25.961 1.991 0.676 0.466 0.923 0.654 CB 1.210 53 residues pruned to eliminate duplicates Z: 26 20.496 2.068 0.616 0.597 0.880 0.760 CB 1.270 26 residues pruned to eliminate duplicates Z: 24 24.155 2.077 0.725 0.606 0.957 0.826 CB 1.329 24 residues pruned to eliminate duplicates Z: 75 30.982 2.009 0.673 0.514 0.905 0.649 CB 1.166 75 residues pruned to eliminate duplicates Z: 21 24.883 2.103 0.680 0.666 1.000 0.750 CB 1.351 21 residues pruned to eliminate duplicates Z: 47 25.442 2.016 0.580 0.586 0.913 0.652 CB 1.188 34 residues pruned to eliminate duplicates Z: 15 17.309 1.856 0.591 0.906 1.000 0.929 CB 1.114 15 residues pruned to eliminate duplicates Z: 11 15.019 2.028 0.511 0.805 1.000 0.900 CB 1.187 11 residues pruned to eliminate duplicates Z: 23 25.174 2.062 0.774 0.631 0.955 0.773 CB 1.358 23 residues pruned to eliminate duplicates Z: 92 41.550 2.030 0.715 0.539 0.901 0.648 CB 1.336 92 residues pruned to eliminate duplicates Z: 21 23.850 2.101 0.671 0.644 1.000 0.850 CB 1.328 21 residues pruned to eliminate duplicates Z: 22 24.275 2.102 0.817 0.631 0.952 0.762 CB 1.287 22 residues pruned to eliminate duplicates Z: 31 21.517 2.067 0.612 0.505 0.933 0.733 CB 1.257 31 residues pruned to eliminate duplicates Z: 22 21.794 2.078 0.621 0.642 0.952 0.762 CB 1.298 22 residues pruned to eliminate duplicates Z: 20 20.012 2.055 0.763 0.683 0.947 0.632 CB 1.130 19 residues pruned to eliminate duplicates Z: 7 3.399 1.465 0.932 0.366 0.833 0.500 N 0.679 6 residues pruned to eliminate duplicates Z: 15 24.238 2.003 1.019 0.823 0.929 0.857 CB 1.304 15 residues pruned to eliminate duplicates Z: 15 22.665 1.981 0.848 0.716 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 13 20.255 1.999 0.895 0.882 0.833 0.750 CB 1.340 Z: 12 22.994 2.025 1.105 0.895 0.909 0.818 CB 1.283 25 residues pruned to eliminate duplicates Z: 23 22.465 2.095 0.791 0.720 0.909 0.682 CB 1.151 22 residues pruned to eliminate duplicates Z: 12 19.463 1.921 0.946 0.863 0.909 0.636 CB 1.266 15 residues pruned to eliminate duplicates Z: 12 26.107 1.979 0.922 0.903 1.000 0.727 CB 1.474 12 residues pruned to eliminate duplicates Z: 23 24.743 2.085 0.956 0.687 0.909 0.636 CB 1.199 23 residues pruned to eliminate duplicates Z: 24 21.384 1.964 1.063 0.678 0.870 0.609 CB 1.075 24 residues pruned to eliminate duplicates Z: 21 24.449 2.058 1.006 0.702 0.950 0.700 CB 1.160 21 residues pruned to eliminate duplicates Z: 21 24.845 2.091 0.967 0.726 0.950 0.800 CB 1.160 21 residues pruned to eliminate duplicates Z: 34 29.335 2.033 0.715 0.668 1.000 0.636 CB 1.254 34 residues pruned to eliminate duplicates Z: 38 31.104 2.032 0.859 0.625 0.919 0.649 CB 1.309 38 residues pruned to eliminate duplicates Z: 36 29.769 2.022 0.822 0.661 0.971 0.771 CB 1.211 40 residues pruned to eliminate duplicates Z: 13 11.505 1.776 0.418 0.718 1.000 0.667 CB 1.083 13 residues pruned to eliminate duplicates Z: 36 29.054 2.032 0.736 0.661 0.943 0.771 CB 1.272 36 residues pruned to eliminate duplicates Z: 42 21.817 1.925 0.608 0.549 0.902 0.585 CB 1.163 42 residues pruned to eliminate duplicates Z: 39 27.286 2.013 0.685 0.604 0.895 0.632 CB 1.321 37 residues pruned to eliminate duplicates Z: 9 11.165 1.995 0.187 0.842 1.000 0.750 CB 1.242 9 residues pruned to eliminate duplicates Z: 34 25.888 2.022 0.757 0.650 0.970 0.606 CB 1.138 34 residues pruned to eliminate duplicates Z: 21 13.562 1.873 0.422 0.609 0.900 0.600 CB 1.141 21 residues pruned to eliminate duplicates Z: 37 28.011 1.967 0.819 0.663 0.917 0.694 CB 1.224 37 residues pruned to eliminate duplicates Z: 37 28.554 2.036 0.784 0.658 0.917 0.667 CB 1.235 37 residues pruned to eliminate duplicates Z: 60 30.140 1.881 0.720 0.559 0.932 0.644 CB 1.229 60 residues pruned to eliminate duplicates Z: 53 28.147 1.960 0.592 0.595 0.942 0.635 CB 1.213 53 residues pruned to eliminate duplicates Z: 35 22.444 1.988 0.927 0.502 0.912 0.559 CB 1.100 35 residues pruned to eliminate duplicates Z: 52 30.885 1.990 0.742 0.625 0.922 0.627 CB 1.203 52 residues pruned to eliminate duplicates Z: 8 4.648 1.792 0.546 0.228 0.857 0.571 CB 1.015 8 residues pruned to eliminate duplicates Z: 24 11.385 1.843 0.506 0.420 0.826 0.609 CB 1.126 24 residues pruned to eliminate duplicates Z: 37 16.962 1.847 0.752 0.439 0.861 0.611 CB 1.081 37 residues pruned to eliminate duplicates Z: 23 12.197 1.878 0.470 0.408 0.818 0.545 CB 1.268 23 residues pruned to eliminate duplicates Z: 19 12.846 1.863 0.549 0.524 0.833 0.722 CB 1.230 19 residues pruned to eliminate duplicates Z: 15 10.950 1.848 0.466 0.444 0.786 0.500 CB 1.457 15 residues pruned to eliminate duplicates Z: 14 16.951 1.902 0.740 0.609 0.923 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 50 31.585 1.975 0.822 0.620 0.918 0.633 CB 1.219 50 residues pruned to eliminate duplicates Z: 6 2.152 1.233 0.980 0.285 0.600 0.600 CB 0.837 6 residues pruned to eliminate duplicates Z: 49 23.171 1.871 0.817 0.499 0.833 0.542 CB 1.181 49 residues pruned to eliminate duplicates Z: 18 15.643 1.867 0.774 0.494 0.882 0.588 CB 1.306 18 residues pruned to eliminate duplicates Z: 53 24.367 1.873 0.834 0.465 0.885 0.538 CB 1.151 53 residues pruned to eliminate duplicates Z: 48 23.620 1.939 0.730 0.509 0.894 0.511 CB 1.139 48 residues pruned to eliminate duplicates Z: 14 11.759 1.954 0.511 0.509 0.846 0.538 CB 1.293 14 residues pruned to eliminate duplicates Z: 7 4.798 1.853 0.676 0.348 0.667 0.333 CB 1.116 7 residues pruned to eliminate duplicates Z: 11 8.611 1.962 0.303 0.411 0.800 0.500 CB 1.462 11 residues pruned to eliminate duplicates Z: 78 26.372 1.891 0.754 0.439 0.831 0.519 CB 1.160 78 residues pruned to eliminate duplicates Z: 6 8.596 1.950 0.428 0.554 0.800 0.600 CB 1.637 6 residues pruned to eliminate duplicates Z: 11 9.297 1.959 0.422 0.448 0.800 0.500 CB 1.391 11 residues pruned to eliminate duplicates Z: 45 19.154 1.915 0.462 0.470 0.841 0.500 CB 1.265 45 residues pruned to eliminate duplicates Z: 21 11.219 1.930 0.559 0.375 0.850 0.650 CB 1.121 21 residues pruned to eliminate duplicates Z: 26 13.250 1.893 0.564 0.358 0.880 0.480 CB 1.186 26 residues pruned to eliminate duplicates Z: 30 13.039 1.802 0.490 0.349 0.828 0.310 CB 1.283 30 residues pruned to eliminate duplicates Z: 41 22.889 2.006 0.616 0.473 0.875 0.475 CB 1.311 41 residues pruned to eliminate duplicates Z: 25 14.580 1.908 0.685 0.459 0.792 0.625 CB 1.220 25 residues pruned to eliminate duplicates Z: 26 18.455 1.949 0.737 0.465 0.840 0.640 CB 1.345 26 residues pruned to eliminate duplicates Z: 24 15.895 1.956 0.652 0.500 0.826 0.522 CB 1.242 24 residues pruned to eliminate duplicates Z: 50 27.488 1.972 0.782 0.473 0.878 0.571 CB 1.309 50 residues pruned to eliminate duplicates Z: 24 12.955 1.912 0.476 0.476 0.826 0.609 CB 1.188 24 residues pruned to eliminate duplicates Z: 29 13.738 1.895 0.668 0.443 0.750 0.607 CB 1.161 29 residues pruned to eliminate duplicates Z: 27 15.908 1.957 0.536 0.408 0.885 0.500 CB 1.292 27 residues pruned to eliminate duplicates Z: 93 36.765 1.963 0.729 0.536 0.902 0.576 CB 1.208 93 residues pruned to eliminate duplicates Z: 42 21.781 1.951 0.605 0.475 0.878 0.610 CB 1.269 42 residues pruned to eliminate duplicates Z: 37 16.897 1.919 0.615 0.417 0.833 0.389 CB 1.189 37 residues pruned to eliminate duplicates Z: 18 13.180 1.901 0.362 0.496 0.941 0.529 CB 1.318 18 residues pruned to eliminate duplicates Z: 28 15.088 1.906 0.635 0.432 0.815 0.556 CB 1.227 28 residues pruned to eliminate duplicates Z: 37 25.465 2.037 0.699 0.511 0.889 0.750 CB 1.365 37 residues pruned to eliminate duplicates Z: 36 18.145 1.941 0.581 0.424 0.829 0.486 CB 1.306 36 residues pruned to eliminate duplicates Z: 26 14.110 1.904 0.512 0.366 0.880 0.600 CB 1.285 26 residues pruned to eliminate duplicates Z: 25 16.543 1.961 0.532 0.468 0.917 0.625 CB 1.266 25 residues pruned to eliminate duplicates Z: 53 32.139 2.024 0.574 0.578 0.962 0.731 CB 1.350 53 residues pruned to eliminate duplicates Z: 37 17.303 1.953 0.477 0.419 0.833 0.611 CB 1.306 37 residues pruned to eliminate duplicates Z: 74 34.540 1.999 0.680 0.525 0.877 0.658 CB 1.339 74 residues pruned to eliminate duplicates Z: 35 32.136 2.050 0.752 0.673 0.941 0.706 CB 1.389 35 residues pruned to eliminate duplicates Z: 48 29.887 2.037 0.656 0.591 0.915 0.702 CB 1.295 48 residues pruned to eliminate duplicates Z: 92 37.249 1.998 0.643 0.534 0.857 0.527 CB 1.343 92 residues pruned to eliminate duplicates Z: 33 29.648 2.039 0.812 0.617 0.875 0.594 CB 1.451 33 residues pruned to eliminate duplicates Z: 65 28.871 1.997 0.652 0.463 0.875 0.594 CB 1.298 65 residues pruned to eliminate duplicates Z: 94 43.699 2.022 0.717 0.583 0.935 0.656 CB 1.288 94 residues pruned to eliminate duplicates Z: 52 30.111 2.027 0.803 0.532 0.843 0.529 CB 1.325 52 residues pruned to eliminate duplicates Z: 40 30.754 2.064 0.808 0.616 0.923 0.667 CB 1.281 40 residues pruned to eliminate duplicates Z: 35 29.075 2.095 0.838 0.615 0.882 0.676 CB 1.316 35 residues pruned to eliminate duplicates Z: 48 29.472 1.974 0.730 0.550 0.894 0.617 CB 1.341 48 residues pruned to eliminate duplicates Z: 67 30.168 1.999 0.551 0.470 0.894 0.530 CB 1.381 67 residues pruned to eliminate duplicates Z: 36 31.392 2.104 0.875 0.630 0.943 0.714 CB 1.263 36 residues pruned to eliminate duplicates Z: 52 26.509 1.932 0.817 0.456 0.902 0.569 CB 1.226 52 residues pruned to eliminate duplicates Z: 53 33.456 2.041 0.731 0.562 0.904 0.654 CB 1.367 53 residues pruned to eliminate duplicates Z: 56 32.254 2.018 0.812 0.531 0.891 0.527 CB 1.294 56 residues pruned to eliminate duplicates Z: 108 44.400 2.002 0.705 0.509 0.916 0.561 CB 1.360 108 residues pruned to eliminate duplicates Z: 67 34.160 2.015 0.695 0.524 0.894 0.561 CB 1.344 67 residues pruned to eliminate duplicates Z: 55 36.786 2.043 0.833 0.596 0.907 0.648 CB 1.344 55 residues pruned to eliminate duplicates Z: 58 30.359 2.023 0.621 0.543 0.877 0.526 CB 1.341 58 residues pruned to eliminate duplicates Z: 67 35.688 1.981 0.821 0.521 0.879 0.515 CB 1.357 67 residues pruned to eliminate duplicates Z: 73 37.518 2.025 0.716 0.521 0.903 0.569 CB 1.381 73 residues pruned to eliminate duplicates Z: 56 34.001 2.021 0.749 0.575 0.891 0.545 CB 1.354 56 residues pruned to eliminate duplicates Z: 53 32.395 2.028 0.719 0.593 0.904 0.577 CB 1.304 53 residues pruned to eliminate duplicates Z: 55 35.949 2.056 0.691 0.563 0.963 0.519 CB 1.374 55 residues pruned to eliminate duplicates Z: 56 31.224 2.016 0.624 0.566 0.909 0.636 CB 1.328 56 residues pruned to eliminate duplicates Z: 52 35.086 2.078 0.692 0.589 0.922 0.627 CB 1.393 52 residues pruned to eliminate duplicates Z: 57 31.438 2.024 0.621 0.531 0.929 0.607 CB 1.338 57 residues pruned to eliminate duplicates Z: 57 30.151 2.031 0.617 0.532 0.875 0.643 CB 1.359 57 residues pruned to eliminate duplicates Z: 9 9.601 1.787 0.657 0.571 0.875 0.750 N 1.223 9 residues pruned to eliminate duplicates Z: 69 35.069 2.014 0.683 0.510 0.912 0.500 CB 1.362 69 residues pruned to eliminate duplicates Z: 54 33.468 2.008 0.851 0.605 0.887 0.623 CB 1.262 54 residues pruned to eliminate duplicates Z: 69 32.211 2.012 0.654 0.508 0.882 0.515 CB 1.320 69 residues pruned to eliminate duplicates Z: 37 41.592 2.198 0.784 0.678 0.944 0.667 CB 1.588 37 residues pruned to eliminate duplicates Z: 52 40.732 2.125 0.741 0.686 0.961 0.647 CB 1.354 52 residues pruned to eliminate duplicates Z: 31 16.449 1.910 0.712 0.459 0.833 0.433 CB 1.149 31 residues pruned to eliminate duplicates Z: 22 27.038 2.242 0.677 0.725 0.905 0.714 CB 1.415 22 residues pruned to eliminate duplicates Z: 19 22.383 2.170 0.683 0.610 0.944 0.389 CB 1.378 19 residues pruned to eliminate duplicates Z: 54 42.372 2.097 0.783 0.638 0.943 0.660 CB 1.450 54 residues pruned to eliminate duplicates Z: 17 24.197 2.214 0.810 0.621 0.938 0.750 CB 1.436 17 residues pruned to eliminate duplicates Z: 18 23.199 2.255 0.694 0.648 0.941 0.529 CB 1.363 18 residues pruned to eliminate duplicates Z: 47 36.410 2.069 0.656 0.653 0.935 0.739 CB 1.454 47 residues pruned to eliminate duplicates Z: 55 36.329 2.078 0.668 0.630 0.926 0.704 CB 1.363 55 residues pruned to eliminate duplicates Z: 21 20.120 2.122 0.582 0.575 0.950 0.750 CB 1.312 21 residues pruned to eliminate duplicates Z: 64 36.805 2.081 0.780 0.499 0.905 0.635 CB 1.386 64 residues pruned to eliminate duplicates Z: 91 40.283 2.057 0.755 0.563 0.856 0.622 CB 1.294 91 residues pruned to eliminate duplicates Z: 39 41.413 2.145 0.824 0.723 0.947 0.763 CB 1.482 39 residues pruned to eliminate duplicates Z: 42 35.172 2.090 0.767 0.622 0.902 0.634 CB 1.469 42 residues pruned to eliminate duplicates Z: 44 43.983 2.140 0.741 0.699 0.977 0.721 CB 1.537 44 residues pruned to eliminate duplicates Z: 43 47.790 2.161 0.805 0.725 1.000 0.762 CB 1.542 43 residues pruned to eliminate duplicates Z: 42 35.808 2.088 0.837 0.637 0.927 0.634 CB 1.383 42 residues pruned to eliminate duplicates Z: 40 39.096 2.143 0.660 0.718 0.974 0.744 CB 1.482 40 residues pruned to eliminate duplicates Z: 40 44.760 2.157 0.804 0.735 1.000 0.769 CB 1.491 40 residues pruned to eliminate duplicates Z: 39 42.926 2.204 0.792 0.709 0.947 0.711 CB 1.539 39 residues pruned to eliminate duplicates Z: 43 48.802 2.162 0.879 0.741 1.000 0.762 CB 1.493 43 residues pruned to eliminate duplicates Z: 38 50.246 2.194 0.973 0.732 1.000 0.811 CB 1.550 38 residues pruned to eliminate duplicates Z: 46 42.746 2.110 0.860 0.700 0.956 0.667 CB 1.416 46 residues pruned to eliminate duplicates Z: 45 40.844 2.087 0.865 0.650 0.955 0.705 CB 1.440 45 residues pruned to eliminate duplicates Z: 51 41.570 2.135 0.746 0.672 0.940 0.700 CB 1.432 51 residues pruned to eliminate duplicates Z: 52 47.177 2.142 0.843 0.673 0.980 0.647 CB 1.455 52 residues pruned to eliminate duplicates Z: 36 39.892 2.155 1.001 0.683 0.914 0.629 CB 1.445 36 residues pruned to eliminate duplicates Z: 53 36.799 2.043 0.727 0.611 0.904 0.577 CB 1.441 53 residues pruned to eliminate duplicates Z: 45 41.283 2.136 0.833 0.697 0.932 0.773 CB 1.425 45 residues pruned to eliminate duplicates Z: 43 46.720 2.156 0.904 0.692 1.000 0.762 CB 1.473 43 residues pruned to eliminate duplicates Z: 53 45.797 2.143 0.823 0.634 0.962 0.615 CB 1.490 53 residues pruned to eliminate duplicates Z: 44 50.502 2.169 0.924 0.723 0.977 0.651 CB 1.545 44 residues pruned to eliminate duplicates Z: 53 46.846 2.092 0.850 0.689 0.962 0.615 CB 1.467 53 residues pruned to eliminate duplicates Z: 58 37.616 2.031 0.841 0.564 0.912 0.614 CB 1.373 58 residues pruned to eliminate duplicates Z: 45 39.861 2.065 0.924 0.669 0.909 0.682 CB 1.424 45 residues pruned to eliminate duplicates Z: 54 43.266 2.125 0.859 0.634 0.962 0.623 CB 1.379 54 residues pruned to eliminate duplicates Z: 51 44.273 2.117 0.893 0.672 0.940 0.520 CB 1.418 51 residues pruned to eliminate duplicates Z: 45 46.846 2.145 0.946 0.706 0.955 0.727 CB 1.470 45 residues pruned to eliminate duplicates Z: 45 45.134 2.088 0.975 0.690 0.977 0.636 CB 1.419 45 residues pruned to eliminate duplicates Z: 52 47.564 2.146 0.908 0.679 0.941 0.549 CB 1.466 52 residues pruned to eliminate duplicates Z: 51 37.936 2.055 0.892 0.614 0.920 0.640 CB 1.346 51 residues pruned to eliminate duplicates Z: 51 48.441 2.152 0.899 0.665 0.960 0.580 CB 1.499 51 residues pruned to eliminate duplicates Z: 52 45.705 2.137 0.877 0.677 0.961 0.706 CB 1.410 52 residues pruned to eliminate duplicates Z: 51 47.642 2.168 0.832 0.682 0.960 0.700 CB 1.495 51 residues pruned to eliminate duplicates Z: 97 52.571 2.097 0.785 0.611 0.917 0.677 CB 1.408 97 residues pruned to eliminate duplicates Z: 54 41.961 2.113 0.820 0.646 0.962 0.660 CB 1.359 54 residues pruned to eliminate duplicates Z: 53 45.877 2.133 0.847 0.633 0.962 0.654 CB 1.482 53 residues pruned to eliminate duplicates Z: 53 49.212 2.132 0.925 0.666 0.981 0.635 CB 1.454 53 residues pruned to eliminate duplicates Z: 52 43.763 2.126 0.866 0.664 0.941 0.627 CB 1.410 52 residues pruned to eliminate duplicates Z: 54 46.127 2.100 0.877 0.652 0.943 0.623 CB 1.479 54 residues pruned to eliminate duplicates Z: 8 7.507 1.931 0.613 0.535 1.000 0.571 CB 0.881 6 residues pruned to eliminate duplicates Z: 8 8.301 1.732 0.286 0.585 1.000 0.714 CB 1.298 8 residues pruned to eliminate duplicates Z: 50 41.016 2.142 0.933 0.572 0.918 0.612 CB 1.438 105 residues pruned to eliminate duplicates Z: 8 4.473 1.570 0.560 0.329 0.714 0.429 CB 1.166 8 residues pruned to eliminate duplicates Z: 57 28.799 2.022 0.818 0.416 0.804 0.554 CB 1.422 57 residues pruned to eliminate duplicates Z: 103 52.032 2.069 0.876 0.530 0.922 0.539 CB 1.399 103 residues pruned to eliminate duplicates Z: 21 9.864 1.870 0.687 0.309 0.850 0.450 CB 1.016 21 residues pruned to eliminate duplicates Z: 14 7.575 1.864 0.571 0.351 0.769 0.385 CB 1.096 14 residues pruned to eliminate duplicates Z: 13 8.670 1.849 0.776 0.311 0.833 0.417 CB 1.128 13 residues pruned to eliminate duplicates Z: 17 12.108 1.977 0.880 0.384 0.875 0.688 CB 1.053 17 residues pruned to eliminate duplicates Z: 17 13.390 1.952 0.850 0.424 0.938 0.625 CB 1.071 17 residues pruned to eliminate duplicates Z: 20 10.008 1.908 0.560 0.304 0.842 0.579 CB 1.139 20 residues pruned to eliminate duplicates Z: 18 12.141 1.947 0.937 0.373 0.824 0.588 CB 1.087 18 residues pruned to eliminate duplicates Z: 19 11.359 1.937 0.733 0.331 0.833 0.556 CB 1.151 19 residues pruned to eliminate duplicates Z: 22 14.008 1.974 0.729 0.427 0.857 0.667 CB 1.127 22 residues pruned to eliminate duplicates Z: 14 9.773 2.016 0.533 0.347 0.769 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 108 51.320 2.072 0.877 0.542 0.897 0.542 CB 1.365 108 residues pruned to eliminate duplicates Z: 33 20.198 1.945 0.841 0.464 0.875 0.656 CB 1.183 33 residues pruned to eliminate duplicates Z: 42 25.412 2.024 0.786 0.460 0.854 0.634 CB 1.340 42 residues pruned to eliminate duplicates Z: 22 13.008 1.904 0.951 0.291 0.810 0.429 CB 1.194 22 residues pruned to eliminate duplicates Z: 26 15.408 1.915 0.823 0.359 0.880 0.400 CB 1.167 26 residues pruned to eliminate duplicates Z: 26 15.851 1.921 0.677 0.446 0.880 0.520 CB 1.182 26 residues pruned to eliminate duplicates Z: 28 13.816 1.903 0.695 0.378 0.889 0.444 CB 1.056 28 residues pruned to eliminate duplicates Z: 26 14.653 1.934 0.609 0.415 0.880 0.520 CB 1.170 26 residues pruned to eliminate duplicates Z: 22 14.218 1.998 0.628 0.418 0.857 0.524 CB 1.212 22 residues pruned to eliminate duplicates Z: 44 22.357 2.003 0.604 0.490 0.860 0.651 CB 1.246 44 residues pruned to eliminate duplicates Z: 38 30.106 2.051 0.813 0.623 0.919 0.730 CB 1.290 38 residues pruned to eliminate duplicates Z: 29 13.177 1.907 0.647 0.392 0.750 0.429 CB 1.185 29 residues pruned to eliminate duplicates Z: 40 29.817 2.081 0.609 0.584 0.949 0.538 CB 1.387 40 residues pruned to eliminate duplicates Z: 51 33.040 2.097 0.713 0.573 0.900 0.720 CB 1.347 51 residues pruned to eliminate duplicates Z: 43 24.112 2.029 0.621 0.555 0.881 0.619 CB 1.217 43 residues pruned to eliminate duplicates Z: 66 31.616 1.961 0.763 0.532 0.892 0.569 CB 1.232 66 residues pruned to eliminate duplicates Z: 52 35.455 2.062 0.826 0.540 0.922 0.569 CB 1.376 54 residues pruned to eliminate duplicates Z: 17 21.431 1.922 0.732 0.856 0.938 0.938 CB 1.266 17 residues pruned to eliminate duplicates Z: 50 30.121 2.023 0.794 0.548 0.939 0.592 CB 1.205 50 residues pruned to eliminate duplicates Z: 30 27.625 2.128 0.755 0.604 0.862 0.690 CB 1.444 30 residues pruned to eliminate duplicates Z: 61 28.973 1.982 0.605 0.527 0.917 0.617 CB 1.249 61 residues pruned to eliminate duplicates Z: 33 23.579 2.030 0.675 0.566 0.875 0.531 CB 1.314 33 residues pruned to eliminate duplicates Z: 48 26.651 2.050 0.651 0.535 0.894 0.638 CB 1.241 48 residues pruned to eliminate duplicates Z: 51 32.199 2.083 0.751 0.566 0.940 0.680 CB 1.246 51 residues pruned to eliminate duplicates Z: 51 29.806 2.075 0.647 0.557 0.900 0.580 CB 1.297 51 residues pruned to eliminate duplicates Z: 77 35.321 1.986 0.725 0.502 0.882 0.579 CB 1.338 77 residues pruned to eliminate duplicates Z: 43 29.236 2.047 0.815 0.561 0.905 0.619 CB 1.266 43 residues pruned to eliminate duplicates Z: 47 30.134 2.053 0.660 0.552 0.913 0.565 CB 1.357 47 residues pruned to eliminate duplicates Z: 53 32.474 2.081 0.787 0.555 0.904 0.596 CB 1.269 53 residues pruned to eliminate duplicates Z: 53 25.576 2.059 0.504 0.521 0.865 0.615 CB 1.296 53 residues pruned to eliminate duplicates Z: 50 29.171 2.084 0.616 0.535 0.918 0.510 CB 1.302 50 residues pruned to eliminate duplicates Z: 15 14.146 2.114 0.480 0.494 0.786 0.429 CB 1.548 15 residues pruned to eliminate duplicates Z: 52 33.622 2.084 0.727 0.533 0.922 0.588 CB 1.373 52 residues pruned to eliminate duplicates Z: 52 31.782 2.077 0.668 0.553 0.922 0.608 CB 1.324 52 residues pruned to eliminate duplicates Z: 65 31.445 1.994 0.756 0.501 0.906 0.547 CB 1.238 65 residues pruned to eliminate duplicates Z: 52 35.142 2.073 0.815 0.547 0.941 0.627 CB 1.327 52 residues pruned to eliminate duplicates Z: 6 5.750 1.620 0.540 0.305 1.000 0.600 N 1.280 6 residues pruned to eliminate duplicates Z: 54 34.871 2.026 0.749 0.569 0.906 0.755 CB 1.395 54 residues pruned to eliminate duplicates Z: 8 5.089 1.684 0.384 0.367 0.714 0.429 O 1.332 8 residues pruned to eliminate duplicates Z: 46 30.849 2.069 0.757 0.523 0.911 0.644 CB 1.357 46 residues pruned to eliminate duplicates Z: 25 22.038 2.097 0.561 0.530 0.917 0.500 CB 1.456 25 residues pruned to eliminate duplicates Z: 33 21.140 2.061 0.593 0.488 0.875 0.625 CB 1.316 33 residues pruned to eliminate duplicates Z: 27 23.853 2.139 0.582 0.577 0.885 0.654 CB 1.451 27 residues pruned to eliminate duplicates Z: 22 26.919 2.199 0.641 0.611 0.905 0.714 CB 1.620 22 residues pruned to eliminate duplicates Z: 26 23.759 2.123 0.591 0.583 0.880 0.720 CB 1.476 26 residues pruned to eliminate duplicates Z: 82 38.859 2.077 0.613 0.500 0.889 0.580 CB 1.451 82 residues pruned to eliminate duplicates Z: 87 36.600 2.049 0.632 0.521 0.872 0.628 CB 1.326 87 residues pruned to eliminate duplicates Z: 85 45.540 2.120 0.689 0.542 0.917 0.655 CB 1.453 85 residues pruned to eliminate duplicates Z: 88 41.564 2.083 0.670 0.528 0.885 0.655 CB 1.407 88 residues pruned to eliminate duplicates Z: 62 44.643 2.116 0.709 0.642 0.934 0.721 CB 1.480 62 residues pruned to eliminate duplicates Z: 53 32.050 2.087 0.668 0.556 0.865 0.673 CB 1.397 53 residues pruned to eliminate duplicates Z: 32 24.687 2.101 0.721 0.514 0.903 0.645 CB 1.339 32 residues pruned to eliminate duplicates Z: 31 23.994 2.120 0.652 0.547 0.867 0.733 CB 1.378 31 residues pruned to eliminate duplicates Z: 50 23.768 1.982 0.626 0.438 0.898 0.551 CB 1.251 50 residues pruned to eliminate duplicates Z: 37 31.705 2.082 0.786 0.569 0.917 0.556 CB 1.450 37 residues pruned to eliminate duplicates Z: 51 28.737 1.979 0.628 0.577 0.860 0.660 CB 1.361 51 residues pruned to eliminate duplicates Z: 25 26.687 2.209 0.677 0.603 0.917 0.708 CB 1.454 25 residues pruned to eliminate duplicates Z: 30 26.177 2.141 0.726 0.547 0.897 0.724 CB 1.402 30 residues pruned to eliminate duplicates Z: 28 23.370 2.131 0.719 0.571 0.815 0.556 CB 1.406 28 residues pruned to eliminate duplicates Z: 47 29.780 2.069 0.764 0.534 0.848 0.696 CB 1.372 47 residues pruned to eliminate duplicates Z: 25 26.907 2.207 0.755 0.600 0.875 0.708 CB 1.473 25 residues pruned to eliminate duplicates Z: 37 29.704 2.081 0.582 0.541 0.944 0.694 CB 1.529 37 residues pruned to eliminate duplicates Z: 44 36.013 2.137 0.851 0.620 0.907 0.744 CB 1.367 44 residues pruned to eliminate duplicates Z: 68 42.855 2.114 0.834 0.545 0.896 0.687 CB 1.442 68 residues pruned to eliminate duplicates Z: 90 43.526 2.088 0.799 0.541 0.899 0.618 CB 1.313 90 residues pruned to eliminate duplicates Z: 18 25.727 2.144 1.025 0.694 0.941 0.706 CB 1.279 18 residues pruned to eliminate duplicates Z: 84 48.037 2.144 0.721 0.557 0.928 0.639 CB 1.458 84 residues pruned to eliminate duplicates Z: 56 36.541 2.111 0.794 0.559 0.855 0.564 CB 1.437 56 residues pruned to eliminate duplicates Z: 23 27.173 2.042 1.093 0.684 1.000 0.864 CB 1.145 23 residues pruned to eliminate duplicates Z: 72 38.994 2.096 0.768 0.553 0.845 0.592 CB 1.404 72 residues pruned to eliminate duplicates Z: 65 50.004 2.174 0.863 0.594 0.922 0.703 CB 1.530 65 residues pruned to eliminate duplicates Z: 21 16.639 1.956 0.845 0.443 0.900 0.550 CB 1.215 21 residues pruned to eliminate duplicates Z: 36 32.447 2.122 0.897 0.517 0.857 0.543 CB 1.563 36 residues pruned to eliminate duplicates Z: 74 36.069 2.082 0.851 0.490 0.849 0.616 CB 1.303 74 residues pruned to eliminate duplicates Z: 49 42.512 2.129 0.859 0.530 0.979 0.562 CB 1.536 49 residues pruned to eliminate duplicates Z: 90 48.736 2.088 0.844 0.531 0.921 0.517 CB 1.413 90 residues pruned to eliminate duplicates Z: 108 45.805 2.022 0.823 0.527 0.888 0.673 CB 1.317 108 residues pruned to eliminate duplicates Z: 40 40.777 2.116 0.919 0.665 0.923 0.641 CB 1.496 40 residues pruned to eliminate duplicates Z: 41 33.615 2.058 0.863 0.481 0.875 0.525 CB 1.615 41 residues pruned to eliminate duplicates Z: 73 45.106 2.120 0.853 0.543 0.917 0.625 CB 1.416 73 residues pruned to eliminate duplicates Z: 20 32.118 2.156 0.914 0.594 0.947 0.632 CB 1.723 20 residues pruned to eliminate duplicates Z: 37 35.228 2.137 0.973 0.554 0.917 0.583 CB 1.441 37 residues pruned to eliminate duplicates Z: 19 23.830 2.032 1.013 0.597 0.833 0.389 CA 1.502 19 residues pruned to eliminate duplicates Z: 36 32.959 2.137 0.748 0.540 0.886 0.543 CB 1.618 36 residues pruned to eliminate duplicates Z: 38 47.271 2.151 1.007 0.655 0.973 0.703 CB 1.601 38 residues pruned to eliminate duplicates Z: 76 43.246 2.024 0.854 0.516 0.893 0.600 CB 1.466 76 residues pruned to eliminate duplicates Z: 36 31.276 2.139 0.719 0.496 0.886 0.514 CB 1.631 36 residues pruned to eliminate duplicates Z: 89 46.462 2.102 0.828 0.515 0.864 0.591 CB 1.471 89 residues pruned to eliminate duplicates Z: 84 52.095 2.132 0.787 0.580 0.916 0.687 CB 1.518 84 residues pruned to eliminate duplicates Z: 53 47.171 2.143 1.069 0.582 0.923 0.615 CB 1.478 53 residues pruned to eliminate duplicates Z: 36 33.088 2.152 0.716 0.508 0.914 0.600 CB 1.644 36 residues pruned to eliminate duplicates Z: 29 19.747 2.025 0.804 0.416 0.821 0.536 CB 1.358 29 residues pruned to eliminate duplicates Z: 60 39.752 2.087 0.887 0.502 0.847 0.508 CB 1.548 60 residues pruned to eliminate duplicates Z: 77 51.701 2.145 0.875 0.569 0.908 0.645 CB 1.519 77 residues pruned to eliminate duplicates Z: 37 31.782 2.127 0.833 0.493 0.833 0.556 CB 1.642 37 residues pruned to eliminate duplicates Z: 84 48.645 2.143 0.768 0.572 0.880 0.651 CB 1.495 84 residues pruned to eliminate duplicates Z: 55 40.922 2.107 0.898 0.558 0.870 0.556 CB 1.512 55 residues pruned to eliminate duplicates Z: 42 29.217 2.062 0.722 0.511 0.854 0.561 CB 1.488 42 residues pruned to eliminate duplicates Z: 35 32.592 2.150 0.858 0.492 0.853 0.559 CB 1.653 35 residues pruned to eliminate duplicates Z: 35 39.754 2.149 0.975 0.528 0.912 0.647 CB 1.714 35 residues pruned to eliminate duplicates Z: 36 35.026 2.158 0.868 0.497 0.886 0.600 CB 1.663 36 residues pruned to eliminate duplicates Z: 41 32.932 2.075 0.823 0.479 0.900 0.575 CB 1.562 41 residues pruned to eliminate duplicates 427 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 6 D: 6 E: 215 F: 185 CC for partial structure against native data = 37.22 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.652, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.767, Connect. = 0.770 for dens.mod. cycle 2 = 0.300, Contrast = 0.904, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.933, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.954, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.962, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.966, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.968, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.968, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.966, Connect. = 0.802 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.52 - 4.35 - 3.78 - 3.42 - 3.17 - 2.98 - 2.83 - 2.70 - 2.60 - 2.51 0.781 0.819 0.780 0.774 0.743 0.716 0.703 0.693 0.700 0.659 0.887 0.943 0.895 0.881 0.861 0.841 0.839 0.836 0.839 0.794 N 3516 3507 3548 3584 3523 3504 3476 3645 3341 3460 Estimated mean FOM = 0.737 Pseudo-free CC = 75.82 % Best trace (cycle 1 with CC 44.05%) was saved as ./2avn-2.5-parrot-hancs/2avn-2.5-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.5 - Setup, data input and phasing TimeTaking 221.77