null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:14:39 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: ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.ins Phases from ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.phi Native data from ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.hkl Listing output to ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.lst Phases output to ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.phs Poly-Ala trace output to ./2ogi-1.9-parrot-hancs/2ogi-1.9-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 1 21 1 Allowed origin shift code: 2 37459 Reflections read from file ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.phi 37459 Reflections read from file ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.hkl 37459 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000095h^2 -0.000199k^2 +0.000139l^2 +0.000000kl +0.000196hl +0.000000hk 11 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.643 ** -f missing ?? ** = 0.300, Contrast = 0.487, Connect. = 0.768 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.698, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 0.717, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.729, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.738, Connect. = 0.807 for dens.mod. cycle 7 = 0.300, Contrast = 0.743, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.748, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.750, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1658 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 420 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 59.461 2.440 1.246 0.920 0.947 0.789 CA 1.849 B: 19 65.909 2.479 1.327 0.931 1.000 0.778 CA 1.883 20 residues pruned to eliminate duplicates C: 22 57.496 2.320 1.226 0.921 1.000 0.810 CA 1.710 19 residues pruned to eliminate duplicates D: 22 54.069 2.332 1.362 0.888 0.905 0.857 CA 1.706 23 residues pruned to eliminate duplicates E: 21 67.038 2.441 1.496 0.931 0.950 0.750 CA 1.810 21 residues pruned to eliminate duplicates F: 12 27.366 2.302 0.852 0.868 0.909 0.727 CB 1.556 G: 12 30.815 2.300 0.929 0.890 0.909 0.636 CB 1.657 12 residues pruned to eliminate duplicates H: 21 55.474 2.418 1.149 0.921 0.950 0.800 CA 1.767 21 residues pruned to eliminate duplicates I: 13 21.180 2.155 0.665 0.829 0.833 0.500 CA 1.539 J: 21 57.756 2.430 1.212 0.919 0.950 0.850 CA 1.783 21 residues pruned to eliminate duplicates K: 21 64.354 2.412 1.450 0.929 0.950 0.800 CA 1.794 21 residues pruned to eliminate duplicates L: 13 26.203 2.173 0.710 0.879 0.917 0.667 CB 1.610 13 residues pruned to eliminate duplicates M: 14 26.607 2.089 0.700 0.874 1.000 0.692 CA 1.513 13 residues pruned to eliminate duplicates N: 14 23.869 2.112 0.551 0.865 0.923 0.615 CA 1.604 14 residues pruned to eliminate duplicates O: 23 43.174 2.165 1.343 0.910 0.955 0.545 CB 1.348 P: 22 53.767 2.224 1.185 0.943 1.000 0.762 CB 1.674 Q: 22 32.987 2.168 0.507 0.877 1.000 0.762 CA 1.600 22 residues pruned to eliminate duplicates R: 21 41.710 2.242 0.812 0.929 0.950 0.850 CB 1.691 21 residues pruned to eliminate duplicates S: 13 30.328 2.148 0.905 0.909 1.000 0.833 CB 1.518 12 residues pruned to eliminate duplicates T: 20 74.388 2.491 1.530 0.942 1.000 0.789 CA 1.878 20 residues pruned to eliminate duplicates U: 22 47.764 2.220 1.167 0.937 1.000 0.571 CB 1.508 23 residues pruned to eliminate duplicates V: 20 67.987 2.453 1.363 0.928 1.000 0.684 CA 1.884 20 residues pruned to eliminate duplicates W: 23 45.789 2.154 1.324 0.918 1.000 0.545 CB 1.376 23 residues pruned to eliminate duplicates X: 14 29.486 2.049 0.800 0.856 1.000 0.692 CA 1.635 14 residues pruned to eliminate duplicates Y: 22 53.362 2.212 1.167 0.933 1.000 0.619 CB 1.696 22 residues pruned to eliminate duplicates Z: 14 41.661 2.349 1.206 0.887 1.000 0.846 CA 1.608 Z: 16 37.081 2.265 1.254 0.817 0.933 0.867 CB 1.526 15 residues pruned to eliminate duplicates Z: 15 23.388 2.193 0.604 0.863 0.929 0.643 CB 1.405 15 residues pruned to eliminate duplicates Z: 20 58.074 2.470 1.074 0.924 1.000 0.842 CA 1.826 20 residues pruned to eliminate duplicates Z: 6 12.091 1.900 1.333 0.760 1.000 0.400 CA 0.968 Z: 21 53.755 2.429 1.103 0.915 0.950 0.850 CA 1.751 21 residues pruned to eliminate duplicates Z: 14 38.600 2.371 1.384 0.888 0.846 0.769 CA 1.612 15 residues pruned to eliminate duplicates Z: 21 61.806 2.397 1.351 0.933 0.950 0.750 CA 1.801 21 residues pruned to eliminate duplicates Z: 16 25.184 2.136 0.632 0.874 0.867 0.600 CA 1.566 Z: 21 52.317 2.310 1.005 0.942 1.000 0.800 CA 1.752 22 residues pruned to eliminate duplicates Z: 21 53.139 2.247 1.338 0.927 0.950 0.600 CB 1.668 21 residues pruned to eliminate duplicates Z: 11 36.726 2.334 1.613 0.906 0.900 0.700 CA 1.504 11 residues pruned to eliminate duplicates Z: 22 49.941 2.194 1.089 0.934 1.000 0.810 CB 1.658 22 residues pruned to eliminate duplicates Z: 16 26.801 2.130 0.707 0.898 0.933 0.733 CB 1.459 16 residues pruned to eliminate duplicates Z: 17 24.123 2.010 0.501 0.841 1.000 0.625 CB 1.491 17 residues pruned to eliminate duplicates Z: 22 38.759 2.235 0.750 0.942 1.000 0.905 CB 1.500 22 residues pruned to eliminate duplicates Z: 21 52.076 2.223 1.274 0.931 1.000 0.550 CB 1.609 21 residues pruned to eliminate duplicates Z: 14 23.608 2.057 0.866 0.867 0.846 0.769 CB 1.475 13 residues pruned to eliminate duplicates Z: 11 21.292 2.089 0.645 0.899 0.900 0.200 CA 1.556 11 residues pruned to eliminate duplicates Z: 15 20.192 2.059 0.684 0.810 0.857 0.714 CB 1.386 Z: 21 45.307 2.283 1.070 0.885 0.950 0.750 CB 1.630 21 residues pruned to eliminate duplicates Z: 13 30.146 2.190 0.916 0.885 0.917 0.667 CB 1.634 13 residues pruned to eliminate duplicates Z: 22 41.372 2.195 1.084 0.838 0.905 0.810 CB 1.630 22 residues pruned to eliminate duplicates Z: 16 32.887 2.173 0.740 0.867 1.000 0.667 CB 1.644 13 residues pruned to eliminate duplicates Z: 14 30.147 2.295 1.023 0.894 0.846 0.615 CA 1.527 14 residues pruned to eliminate duplicates Z: 20 47.111 2.284 1.207 0.900 0.947 0.632 CB 1.617 20 residues pruned to eliminate duplicates Z: 22 39.290 2.180 0.963 0.939 0.952 0.619 CB 1.462 22 residues pruned to eliminate duplicates Z: 21 46.902 2.245 1.045 0.929 0.950 0.700 CB 1.683 21 residues pruned to eliminate duplicates Z: 23 28.043 2.069 0.614 0.905 0.955 0.727 CB 1.335 23 residues pruned to eliminate duplicates Z: 21 37.649 2.136 1.087 0.909 1.000 0.600 CB 1.340 21 residues pruned to eliminate duplicates Z: 16 27.555 2.142 0.696 0.898 0.933 0.733 CB 1.500 16 residues pruned to eliminate duplicates Z: 21 51.682 2.280 1.035 0.947 1.000 0.700 CB 1.721 21 residues pruned to eliminate duplicates Z: 14 33.842 2.364 0.986 0.892 0.923 0.846 CA 1.556 14 residues pruned to eliminate duplicates Z: 18 19.765 2.059 0.658 0.707 0.882 0.765 CB 1.319 14 residues pruned to eliminate duplicates Z: 16 22.151 2.040 0.742 0.856 0.867 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 21 37.307 2.227 0.645 0.925 0.950 0.900 CA 1.681 21 residues pruned to eliminate duplicates Z: 20 55.810 2.360 1.174 0.925 1.000 0.789 CB 1.752 20 residues pruned to eliminate duplicates Z: 18 28.736 1.976 0.839 0.867 1.000 0.647 CB 1.403 17 residues pruned to eliminate duplicates Z: 17 24.506 1.991 0.850 0.810 0.875 0.625 CB 1.451 17 residues pruned to eliminate duplicates Z: 16 32.682 2.201 0.936 0.826 1.000 0.800 CA 1.493 16 residues pruned to eliminate duplicates Z: 21 58.493 2.372 1.470 0.882 0.950 0.700 CB 1.700 22 residues pruned to eliminate duplicates Z: 15 25.108 2.075 0.716 0.859 0.929 0.571 CB 1.492 15 residues pruned to eliminate duplicates Z: 21 49.994 2.245 1.049 0.933 1.000 0.850 CB 1.696 21 residues pruned to eliminate duplicates Z: 14 26.384 2.175 0.837 0.857 0.923 0.769 CB 1.463 Z: 16 23.854 2.010 1.065 0.846 0.867 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 21 42.092 2.236 0.739 0.937 1.000 1.000 CA 1.685 21 residues pruned to eliminate duplicates Z: 12 27.799 2.282 0.580 0.905 1.000 0.909 CA 1.654 12 residues pruned to eliminate duplicates Z: 14 24.608 2.152 0.565 0.866 0.923 0.615 CA 1.607 14 residues pruned to eliminate duplicates Z: 6 7.804 1.733 0.445 0.842 1.000 0.400 CA 1.039 Z: 14 24.145 2.164 0.702 0.871 0.846 0.692 CB 1.568 14 residues pruned to eliminate duplicates Z: 14 31.951 2.298 0.715 0.858 1.000 0.846 CB 1.655 14 residues pruned to eliminate duplicates Z: 18 17.251 1.891 0.474 0.840 0.824 0.529 CB 1.360 6 residues pruned to eliminate duplicates Z: 15 40.912 2.225 1.452 0.909 0.929 0.714 CA 1.531 15 residues pruned to eliminate duplicates Z: 22 47.600 2.197 1.199 0.913 0.952 0.619 CB 1.597 22 residues pruned to eliminate duplicates Z: 13 28.674 2.176 0.807 0.885 1.000 0.750 CB 1.520 13 residues pruned to eliminate duplicates Z: 22 42.277 2.174 0.864 0.922 0.952 0.905 CA 1.681 21 residues pruned to eliminate duplicates Z: 15 40.854 2.287 1.296 0.858 1.000 0.714 CB 1.531 15 residues pruned to eliminate duplicates Z: 10 13.224 1.853 0.390 0.914 1.000 0.778 CB 1.210 Z: 14 30.528 2.221 1.032 0.878 0.923 0.769 CA 1.476 14 residues pruned to eliminate duplicates Z: 17 21.796 2.143 0.668 0.680 0.875 0.688 CB 1.476 18 residues pruned to eliminate duplicates Z: 14 27.155 2.084 1.087 0.913 0.923 0.385 CB 1.328 14 residues pruned to eliminate duplicates Z: 20 75.002 2.499 1.529 0.938 1.000 0.842 CA 1.893 20 residues pruned to eliminate duplicates Z: 101 34.746 1.883 0.616 0.593 0.910 0.560 CB 1.148 19 residues pruned to eliminate duplicates Z: 23 40.582 2.106 1.124 0.935 1.000 0.591 CB 1.348 23 residues pruned to eliminate duplicates Z: 18 21.757 1.909 0.591 0.872 1.000 0.647 CB 1.266 18 residues pruned to eliminate duplicates Z: 13 21.919 2.019 0.647 0.814 1.000 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 23 43.127 2.123 1.120 0.945 1.000 0.682 CB 1.414 23 residues pruned to eliminate duplicates Z: 12 23.823 2.040 0.736 0.813 1.000 0.545 CB 1.545 Z: 53 39.161 2.038 0.685 0.734 0.981 0.692 CB 1.307 40 residues pruned to eliminate duplicates Z: 12 24.932 2.054 0.654 0.888 1.000 0.909 CA 1.594 11 residues pruned to eliminate duplicates Z: 13 23.576 2.057 0.706 0.814 0.917 0.917 CB 1.611 12 residues pruned to eliminate duplicates Z: 18 20.837 2.089 0.722 0.671 0.824 0.647 CB 1.456 18 residues pruned to eliminate duplicates Z: 15 25.091 1.973 0.758 0.825 1.000 0.714 CB 1.460 13 residues pruned to eliminate duplicates Z: 12 19.605 2.034 0.655 0.826 0.909 0.364 CB 1.457 12 residues pruned to eliminate duplicates Z: 23 28.253 2.052 0.618 0.904 1.000 0.818 CB 1.292 23 residues pruned to eliminate duplicates Z: 11 13.603 1.725 0.718 0.866 0.900 0.500 CB 1.181 10 residues pruned to eliminate duplicates Z: 21 31.264 2.156 0.695 0.919 0.950 0.700 CB 1.419 21 residues pruned to eliminate duplicates Z: 14 18.976 2.016 0.375 0.847 0.923 0.462 CB 1.527 14 residues pruned to eliminate duplicates Z: 16 30.436 2.171 1.370 0.898 0.867 0.600 CB 1.261 16 residues pruned to eliminate duplicates Z: 12 23.010 2.096 0.528 0.826 1.000 0.818 CB 1.634 12 residues pruned to eliminate duplicates Z: 14 20.403 2.030 0.596 0.812 0.846 0.385 CB 1.574 14 residues pruned to eliminate duplicates Z: 23 29.403 2.080 0.762 0.926 0.955 0.727 CB 1.256 23 residues pruned to eliminate duplicates Z: 15 22.879 1.961 0.560 0.855 1.000 0.643 CB 1.475 15 residues pruned to eliminate duplicates Z: 11 12.592 1.880 0.559 0.854 0.900 0.900 CB 1.115 11 residues pruned to eliminate duplicates Z: 13 17.552 1.986 0.639 0.784 1.000 0.750 CB 1.213 13 residues pruned to eliminate duplicates Z: 18 25.303 2.015 0.753 0.834 0.882 0.588 CB 1.476 18 residues pruned to eliminate duplicates Z: 12 19.609 1.927 0.605 0.841 1.000 0.818 CB 1.425 12 residues pruned to eliminate duplicates Z: 15 24.322 2.132 0.797 0.891 0.929 0.714 CA 1.313 15 residues pruned to eliminate duplicates Z: 13 13.828 1.594 0.632 0.849 1.000 0.583 CB 1.138 13 residues pruned to eliminate duplicates Z: 14 27.978 2.129 0.960 0.872 1.000 0.692 CB 1.355 14 residues pruned to eliminate duplicates Z: 18 18.840 1.945 0.591 0.835 0.941 0.588 CB 1.175 18 residues pruned to eliminate duplicates Z: 15 18.740 1.979 0.429 0.847 1.000 0.929 CA 1.314 15 residues pruned to eliminate duplicates Z: 16 21.805 2.077 0.445 0.869 0.933 0.733 CA 1.468 16 residues pruned to eliminate duplicates Z: 14 26.006 2.060 0.653 0.881 1.000 0.846 CB 1.534 14 residues pruned to eliminate duplicates Z: 13 32.414 2.256 1.036 0.926 1.000 0.833 CB 1.428 13 residues pruned to eliminate duplicates Z: 23 28.756 2.104 0.523 0.910 1.000 0.909 CB 1.357 23 residues pruned to eliminate duplicates Z: 14 24.996 1.988 0.983 0.868 1.000 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 18 25.215 1.937 0.719 0.802 0.941 0.647 CB 1.499 18 residues pruned to eliminate duplicates Z: 16 32.334 2.247 0.855 0.827 1.000 0.667 CB 1.509 14 residues pruned to eliminate duplicates Z: 22 19.993 1.837 0.469 0.912 1.000 0.905 CB 1.145 Z: 13 12.066 1.640 0.768 0.848 0.917 0.750 CB 0.972 12 residues pruned to eliminate duplicates Z: 6 7.832 1.853 0.799 0.747 1.000 0.800 CA 0.843 6 residues pruned to eliminate duplicates Z: 17 33.485 2.065 0.949 0.856 1.000 0.812 CB 1.533 16 residues pruned to eliminate duplicates Z: 13 19.615 2.028 0.427 0.806 0.917 0.583 CB 1.634 13 residues pruned to eliminate duplicates Z: 8 7.185 1.536 0.267 0.841 0.857 0.429 CB 1.214 8 residues pruned to eliminate duplicates Z: 15 33.245 2.249 0.774 0.878 1.000 0.714 CB 1.617 16 residues pruned to eliminate duplicates Z: 14 19.390 1.913 0.798 0.800 1.000 0.692 CB 1.202 14 residues pruned to eliminate duplicates Z: 13 21.015 2.139 0.486 0.864 1.000 1.000 CB 1.399 13 residues pruned to eliminate duplicates Z: 13 22.816 2.019 1.172 0.843 0.833 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 11 9.513 1.642 0.049 0.932 1.000 1.000 CA 1.220 Z: 14 21.879 2.017 0.602 0.830 0.923 0.846 CB 1.531 14 residues pruned to eliminate duplicates Z: 15 34.344 2.254 0.842 0.867 1.000 0.643 CB 1.617 15 residues pruned to eliminate duplicates Z: 18 18.150 2.040 0.590 0.669 0.824 0.471 CB 1.410 18 residues pruned to eliminate duplicates Z: 17 23.482 2.075 0.474 0.891 0.938 0.750 CB 1.471 17 residues pruned to eliminate duplicates Z: 18 28.482 1.980 0.760 0.834 1.000 0.765 CA 1.486 18 residues pruned to eliminate duplicates Z: 12 10.560 1.660 0.277 0.894 0.909 0.909 CB 1.185 11 residues pruned to eliminate duplicates Z: 22 23.810 1.880 0.649 0.935 1.000 0.714 CB 1.167 22 residues pruned to eliminate duplicates Z: 22 47.608 2.160 1.004 0.933 1.000 0.619 CB 1.675 22 residues pruned to eliminate duplicates Z: 21 27.637 1.933 0.866 0.946 1.000 0.750 CB 1.184 22 residues pruned to eliminate duplicates Z: 20 68.345 2.458 1.431 0.925 1.000 0.737 CA 1.841 20 residues pruned to eliminate duplicates Z: 12 18.927 1.946 0.687 0.830 1.000 0.909 CB 1.307 12 residues pruned to eliminate duplicates Z: 15 20.308 2.092 0.603 0.736 0.929 0.714 CB 1.410 17 residues pruned to eliminate duplicates Z: 58 37.135 2.038 0.691 0.615 0.930 0.614 CB 1.376 47 residues pruned to eliminate duplicates Z: 19 22.563 1.954 0.774 0.951 0.944 0.556 CB 1.119 19 residues pruned to eliminate duplicates Z: 20 67.884 2.457 1.545 0.949 0.947 0.684 CB 1.814 20 residues pruned to eliminate duplicates Z: 22 26.986 1.921 0.925 0.920 0.952 0.667 CB 1.178 21 residues pruned to eliminate duplicates Z: 36 52.179 2.312 1.003 0.724 0.971 0.657 CB 1.602 36 residues pruned to eliminate duplicates Z: 15 31.811 2.132 1.037 0.890 1.000 0.786 CA 1.409 15 residues pruned to eliminate duplicates Z: 18 21.845 1.928 0.497 0.830 1.000 0.647 CB 1.381 18 residues pruned to eliminate duplicates Z: 11 12.728 1.725 0.823 0.897 0.900 0.400 CB 1.018 11 residues pruned to eliminate duplicates Z: 17 27.006 2.023 0.819 0.874 0.938 0.750 CB 1.425 17 residues pruned to eliminate duplicates Z: 16 30.678 2.165 1.160 0.850 0.867 0.800 CA 1.448 16 residues pruned to eliminate duplicates Z: 21 22.760 1.899 0.574 0.915 1.000 0.850 CB 1.203 21 residues pruned to eliminate duplicates Z: 74 88.201 2.354 1.138 0.726 0.959 0.685 CB 1.745 75 residues pruned to eliminate duplicates Z: 15 36.314 2.283 1.176 0.885 0.929 0.571 CA 1.519 15 residues pruned to eliminate duplicates Z: 14 29.183 2.185 1.293 0.901 0.846 0.462 CB 1.363 14 residues pruned to eliminate duplicates Z: 12 16.739 2.069 0.401 0.922 0.909 0.909 CB 1.347 12 residues pruned to eliminate duplicates Z: 10 11.292 1.798 0.193 0.903 1.000 0.889 CB 1.251 11 residues pruned to eliminate duplicates Z: 12 14.641 1.828 0.395 0.855 1.000 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 58 37.329 2.065 0.688 0.620 0.912 0.561 CB 1.389 58 residues pruned to eliminate duplicates Z: 38 41.236 2.137 1.027 0.749 0.811 0.378 CB 1.546 38 residues pruned to eliminate duplicates Z: 22 23.872 1.880 0.644 0.918 0.952 0.667 CB 1.248 21 residues pruned to eliminate duplicates Z: 16 15.109 1.913 0.560 0.658 0.933 0.733 CB 1.209 21 residues pruned to eliminate duplicates Z: 22 27.829 1.926 0.817 0.928 1.000 0.619 CB 1.215 22 residues pruned to eliminate duplicates Z: 20 17.423 1.858 0.510 0.660 1.000 0.684 CB 1.228 20 residues pruned to eliminate duplicates Z: 23 26.141 2.057 0.489 0.909 1.000 0.955 CB 1.292 23 residues pruned to eliminate duplicates Z: 22 28.568 1.909 0.998 0.933 1.000 0.524 CB 1.141 22 residues pruned to eliminate duplicates Z: 21 63.229 2.365 1.421 0.936 1.000 0.650 CB 1.720 21 residues pruned to eliminate duplicates Z: 12 12.153 1.967 0.250 0.806 0.909 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 16 15.452 1.886 0.605 0.632 0.933 0.600 CB 1.247 16 residues pruned to eliminate duplicates Z: 10 16.899 1.947 0.569 0.895 1.000 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 11 13.760 1.756 0.524 0.916 1.000 0.500 CB 1.148 11 residues pruned to eliminate duplicates Z: 14 26.137 2.122 0.611 0.861 1.000 0.846 CB 1.558 14 residues pruned to eliminate duplicates Z: 74 79.964 2.326 1.006 0.713 0.973 0.767 CB 1.700 74 residues pruned to eliminate duplicates Z: 13 11.314 1.699 0.611 0.850 0.917 0.500 CB 0.964 13 residues pruned to eliminate duplicates Z: 21 23.226 1.848 0.868 0.930 0.950 0.700 CB 1.107 21 residues pruned to eliminate duplicates Z: 18 16.432 1.894 0.459 0.765 0.941 0.647 CB 1.211 18 residues pruned to eliminate duplicates Z: 11 14.186 1.678 0.782 0.909 1.000 0.800 CB 1.065 11 residues pruned to eliminate duplicates Z: 12 19.181 1.989 0.625 0.842 1.000 0.818 CB 1.333 12 residues pruned to eliminate duplicates Z: 38 53.529 2.252 0.996 0.764 0.946 0.730 CB 1.638 39 residues pruned to eliminate duplicates Z: 23 30.168 1.860 0.959 0.935 1.000 0.682 CB 1.230 23 residues pruned to eliminate duplicates Z: 18 22.536 1.964 0.628 0.807 0.941 0.706 CB 1.389 18 residues pruned to eliminate duplicates Z: 10 10.924 1.697 0.291 0.923 1.000 1.000 CB 1.167 10 residues pruned to eliminate duplicates Z: 23 23.765 1.866 0.598 0.897 1.000 0.864 CB 1.217 23 residues pruned to eliminate duplicates Z: 13 13.572 1.576 0.586 0.887 1.000 0.750 CA 1.130 11 residues pruned to eliminate duplicates Z: 14 22.992 2.052 0.608 0.827 0.923 0.846 CA 1.578 14 residues pruned to eliminate duplicates Z: 10 13.333 1.711 0.670 0.923 1.000 0.667 CB 1.093 11 residues pruned to eliminate duplicates Z: 12 10.009 1.633 0.262 0.909 0.909 0.818 CB 1.143 12 residues pruned to eliminate duplicates Z: 12 17.460 1.804 0.784 0.726 0.909 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 15 14.768 1.862 0.453 0.762 1.000 0.786 CB 1.155 15 residues pruned to eliminate duplicates Z: 18 14.935 1.851 0.256 0.923 1.000 1.000 CB 1.095 18 residues pruned to eliminate duplicates Z: 11 10.715 1.860 0.354 0.818 0.900 0.800 CB 1.134 11 residues pruned to eliminate duplicates Z: 22 45.746 2.140 1.004 0.927 1.000 0.905 CA 1.632 22 residues pruned to eliminate duplicates Z: 13 32.023 2.191 1.330 0.929 0.917 0.583 CB 1.382 13 residues pruned to eliminate duplicates Z: 11 7.098 1.717 0.065 0.824 1.000 0.500 CB 0.927 11 residues pruned to eliminate duplicates Z: 13 25.560 2.079 0.864 0.920 0.917 0.667 CB 1.463 16 residues pruned to eliminate duplicates Z: 14 22.421 1.859 0.639 0.871 1.000 0.769 CB 1.489 14 residues pruned to eliminate duplicates Z: 8 10.825 1.744 0.414 0.920 1.000 0.857 CB 1.169 8 residues pruned to eliminate duplicates Z: 19 29.491 2.224 0.989 0.640 0.944 0.722 CB 1.460 19 residues pruned to eliminate duplicates Z: 9 15.728 1.803 0.668 0.894 1.000 0.875 CB 1.326 9 residues pruned to eliminate duplicates Z: 21 23.181 1.913 0.745 0.937 0.950 0.600 CB 1.138 21 residues pruned to eliminate duplicates Z: 13 21.451 2.017 0.454 0.823 1.000 0.750 CA 1.595 13 residues pruned to eliminate duplicates Z: 16 13.315 1.906 0.612 0.648 0.867 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 18 19.939 1.867 0.693 0.781 0.941 0.588 CB 1.269 18 residues pruned to eliminate duplicates Z: 11 13.210 1.676 0.574 0.887 1.000 0.900 CB 1.141 10 residues pruned to eliminate duplicates Z: 10 11.260 1.755 0.617 0.860 0.889 0.778 CB 1.094 Z: 16 23.518 1.990 0.873 0.939 0.933 0.667 CB 1.213 16 residues pruned to eliminate duplicates Z: 18 18.367 1.906 0.401 0.847 0.941 0.706 CB 1.316 18 residues pruned to eliminate duplicates Z: 11 14.221 1.717 0.542 0.894 1.000 0.700 CB 1.219 11 residues pruned to eliminate duplicates Z: 19 25.695 1.891 1.133 0.934 0.889 0.611 CB 1.178 19 residues pruned to eliminate duplicates Z: 6 6.674 1.780 0.359 0.819 0.800 0.400 CB 1.169 6 residues pruned to eliminate duplicates Z: 14 18.838 2.035 0.458 0.813 0.846 0.692 CB 1.584 14 residues pruned to eliminate duplicates Z: 23 41.912 2.228 1.299 0.791 0.909 0.500 CB 1.486 23 residues pruned to eliminate duplicates Z: 11 15.628 1.668 0.755 0.925 1.000 0.900 CB 1.185 11 residues pruned to eliminate duplicates Z: 18 16.342 1.925 0.576 0.781 0.882 0.588 CB 1.156 18 residues pruned to eliminate duplicates Z: 17 22.550 1.900 0.932 0.945 0.938 0.688 CB 1.134 17 residues pruned to eliminate duplicates Z: 19 17.439 1.873 0.457 0.809 0.944 0.722 CB 1.219 19 residues pruned to eliminate duplicates Z: 11 14.460 1.690 0.854 0.880 1.000 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 21 24.540 1.909 0.836 0.939 0.950 0.350 CB 1.145 21 residues pruned to eliminate duplicates Z: 10 14.131 1.772 0.553 0.909 1.000 1.000 CB 1.215 11 residues pruned to eliminate duplicates Z: 11 13.607 1.644 0.672 0.883 1.000 0.900 CB 1.132 11 residues pruned to eliminate duplicates Z: 22 25.765 1.905 0.997 0.923 0.857 0.286 CB 1.212 22 residues pruned to eliminate duplicates Z: 10 11.657 1.712 0.515 0.900 1.000 0.778 CB 1.070 11 residues pruned to eliminate duplicates Z: 17 32.258 2.092 0.812 0.889 0.938 0.875 CB 1.634 17 residues pruned to eliminate duplicates Z: 22 26.316 1.902 0.886 0.919 0.952 0.667 CB 1.184 22 residues pruned to eliminate duplicates Z: 10 11.537 1.734 0.707 0.882 0.889 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 12 16.413 1.688 0.768 0.901 1.000 0.818 CB 1.183 12 residues pruned to eliminate duplicates Z: 17 15.539 2.010 0.430 0.743 0.812 0.312 CB 1.339 17 residues pruned to eliminate duplicates Z: 7 6.559 1.629 0.685 0.692 1.000 0.667 CB 0.818 7 residues pruned to eliminate duplicates Z: 14 21.431 2.009 0.461 0.872 0.923 0.769 CA 1.599 14 residues pruned to eliminate duplicates Z: 6 3.996 1.603 0.234 0.844 0.600 0.400 CA 1.120 Z: 16 14.571 1.838 0.309 0.834 0.933 0.467 CB 1.256 16 residues pruned to eliminate duplicates Z: 11 17.666 1.764 0.984 0.930 1.000 0.800 CB 1.117 11 residues pruned to eliminate duplicates Z: 21 28.323 2.151 0.399 0.947 1.000 0.950 CB 1.453 21 residues pruned to eliminate duplicates Z: 10 12.123 1.822 0.610 0.848 1.000 0.444 CB 1.022 10 residues pruned to eliminate duplicates Z: 22 27.079 1.930 0.958 0.926 0.952 0.571 CB 1.152 22 residues pruned to eliminate duplicates Z: 12 11.056 1.644 0.608 0.933 1.000 0.909 CB 0.880 12 residues pruned to eliminate duplicates Z: 11 15.162 1.690 0.863 0.916 1.000 0.600 CB 1.076 11 residues pruned to eliminate duplicates Z: 14 25.888 2.051 1.017 0.859 0.923 0.538 CB 1.384 14 residues pruned to eliminate duplicates Z: 19 19.192 2.021 0.458 0.644 0.944 0.611 CB 1.420 13 residues pruned to eliminate duplicates Z: 11 12.438 1.644 0.523 0.899 1.000 0.800 CB 1.123 11 residues pruned to eliminate duplicates Z: 6 2.299 1.712 -0.137 0.293 0.800 0.800 CA 1.098 Z: 14 25.648 2.162 0.828 0.853 0.923 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 12 15.306 1.671 0.631 0.911 1.000 0.727 CB 1.200 12 residues pruned to eliminate duplicates Z: 11 17.046 1.763 0.903 0.930 1.000 0.800 CB 1.123 11 residues pruned to eliminate duplicates Z: 22 26.324 1.913 0.723 0.923 1.000 0.952 CB 1.224 22 residues pruned to eliminate duplicates Z: 11 12.187 1.645 0.440 0.886 1.000 0.900 CB 1.173 11 residues pruned to eliminate duplicates Z: 6 8.187 1.705 0.841 0.323 1.000 0.800 CA 1.417 6 residues pruned to eliminate duplicates Z: 35 30.318 1.835 0.940 0.799 0.941 0.382 CB 1.194 42 residues pruned to eliminate duplicates Z: 17 27.733 1.943 1.093 0.944 1.000 0.625 CB 1.181 17 residues pruned to eliminate duplicates Z: 15 20.119 1.842 0.679 0.812 1.000 0.857 CB 1.326 15 residues pruned to eliminate duplicates Z: 12 11.962 1.791 0.219 0.862 1.000 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 14 12.645 1.855 0.413 0.751 1.000 0.769 CB 1.070 14 residues pruned to eliminate duplicates Z: 8 14.494 2.038 0.991 0.749 0.714 0.286 CA 1.513 8 residues pruned to eliminate duplicates Z: 21 44.403 2.285 1.091 0.858 0.950 0.650 CA 1.611 21 residues pruned to eliminate duplicates Z: 19 19.439 1.862 0.619 0.843 0.889 0.611 CB 1.273 19 residues pruned to eliminate duplicates Z: 14 13.851 1.916 0.452 0.816 0.846 0.846 CA 1.240 14 residues pruned to eliminate duplicates Z: 56 69.174 2.268 0.981 0.756 0.982 0.745 CB 1.684 56 residues pruned to eliminate duplicates Z: 7 3.645 1.521 0.518 0.336 0.667 0.500 CA 1.156 Z: 14 22.362 2.064 0.453 0.869 1.000 0.769 CB 1.511 14 residues pruned to eliminate duplicates Z: 10 8.128 1.649 0.054 0.905 1.000 1.000 CB 1.110 10 residues pruned to eliminate duplicates Z: 11 17.011 1.721 0.747 0.895 1.000 0.600 CB 1.282 11 residues pruned to eliminate duplicates Z: 40 56.520 2.302 0.956 0.738 0.923 0.744 CB 1.759 40 residues pruned to eliminate duplicates Z: 10 9.412 1.864 0.510 0.374 0.889 0.667 CB 1.436 10 residues pruned to eliminate duplicates Z: 7 6.242 2.101 0.211 0.410 0.667 0.333 CB 1.651 7 residues pruned to eliminate duplicates 6 1.988 1.212 0.882 0.726 1.000 0.800 N 0.318 ? Z: 18 15.385 1.892 0.740 0.755 0.882 0.471 CB 1.024 18 residues pruned to eliminate duplicates Z: 15 26.288 2.160 0.618 0.849 0.929 0.786 CA 1.605 15 residues pruned to eliminate duplicates Z: 14 21.640 2.228 0.590 0.894 0.846 0.769 CA 1.437 14 residues pruned to eliminate duplicates Z: 11 12.697 1.652 0.501 0.911 1.000 0.800 CB 1.148 10 residues pruned to eliminate duplicates Z: 8 11.681 1.995 0.978 0.797 0.714 0.429 CB 1.208 8 residues pruned to eliminate duplicates Z: 8 10.341 1.797 0.301 0.899 1.000 0.429 CB 1.195 8 residues pruned to eliminate duplicates Z: 10 14.754 2.057 0.239 0.922 1.000 1.000 CA 1.358 10 residues pruned to eliminate duplicates Z: 17 27.863 2.024 0.916 0.887 0.875 0.688 CB 1.479 17 residues pruned to eliminate duplicates Z: 10 12.033 1.690 0.610 0.891 1.000 0.889 CB 1.059 10 residues pruned to eliminate duplicates Z: 17 11.782 1.823 0.467 0.739 0.875 0.562 CB 1.016 17 residues pruned to eliminate duplicates Z: 10 10.540 1.605 0.630 0.887 1.000 0.889 CB 0.968 10 residues pruned to eliminate duplicates Z: 10 11.217 1.716 0.439 0.891 1.000 0.778 CB 1.089 10 residues pruned to eliminate duplicates Z: 18 18.069 1.900 0.519 0.795 0.941 0.529 CB 1.246 18 residues pruned to eliminate duplicates Z: 38 32.607 1.993 0.868 0.714 0.865 0.378 CB 1.371 50 residues pruned to eliminate duplicates Z: 12 15.092 1.648 0.634 0.884 1.000 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 78 75.211 2.280 1.054 0.671 0.961 0.662 CB 1.626 78 residues pruned to eliminate duplicates Z: 6 3.535 1.886 0.068 0.308 0.800 0.400 CB 1.214 Z: 6 3.173 1.347 0.023 0.783 0.800 0.600 CA 1.004 6 residues pruned to eliminate duplicates Z: 11 13.977 1.850 0.617 0.815 1.000 0.600 CB 1.124 11 residues pruned to eliminate duplicates Z: 16 18.933 1.969 0.479 0.842 0.933 0.667 CB 1.340 16 residues pruned to eliminate duplicates Z: 6 8.831 1.740 0.759 0.678 1.000 0.600 CB 1.096 6 residues pruned to eliminate duplicates Z: 9 11.412 1.821 0.218 0.883 1.000 0.750 CB 1.316 9 residues pruned to eliminate duplicates Z: 10 15.413 1.789 0.580 0.853 1.000 0.778 CB 1.344 10 residues pruned to eliminate duplicates Z: 6 11.381 2.046 0.370 0.767 1.000 1.000 O 1.432 6 residues pruned to eliminate duplicates Z: 15 15.585 1.868 0.702 0.822 0.786 0.429 CB 1.262 15 residues pruned to eliminate duplicates Z: 13 10.970 1.879 0.451 0.797 0.833 0.750 CB 1.075 13 residues pruned to eliminate duplicates Z: 13 20.881 2.055 0.456 0.827 1.000 0.750 CB 1.519 13 residues pruned to eliminate duplicates Z: 56 49.689 2.081 0.964 0.723 0.964 0.636 CB 1.391 54 residues pruned to eliminate duplicates Z: 37 59.605 2.283 1.207 0.775 0.944 0.667 CB 1.638 37 residues pruned to eliminate duplicates Z: 11 9.878 1.647 0.238 0.914 1.000 0.900 CB 1.084 11 residues pruned to eliminate duplicates Z: 74 85.649 2.325 1.176 0.717 0.959 0.658 CB 1.699 74 residues pruned to eliminate duplicates Z: 10 14.830 1.711 0.950 0.905 1.000 0.667 CB 1.054 10 residues pruned to eliminate duplicates Z: 15 15.337 1.837 0.546 0.888 0.929 0.714 CB 1.119 15 residues pruned to eliminate duplicates Z: 14 9.799 1.660 0.342 0.807 0.846 0.692 CB 1.103 14 residues pruned to eliminate duplicates Z: 57 69.075 2.346 1.018 0.671 0.946 0.679 CB 1.760 57 residues pruned to eliminate duplicates Z: 12 12.003 1.628 0.390 0.918 1.000 0.909 CB 1.127 Z: 14 28.897 2.251 0.826 0.902 0.846 0.769 CB 1.644 14 residues pruned to eliminate duplicates Z: 60 69.130 2.342 1.065 0.686 0.898 0.695 CB 1.746 60 residues pruned to eliminate duplicates Z: 12 12.276 1.628 0.303 0.885 1.000 0.818 CA 1.260 11 residues pruned to eliminate duplicates Z: 37 45.868 2.025 1.085 0.815 1.000 0.694 CB 1.377 37 residues pruned to eliminate duplicates Z: 9 10.487 1.609 0.794 0.889 0.875 0.500 CB 1.057 9 residues pruned to eliminate duplicates Z: 48 47.737 2.156 0.927 0.788 0.894 0.489 CB 1.456 60 residues pruned to eliminate duplicates Z: 18 18.305 1.879 0.585 0.844 0.941 0.588 CB 1.178 18 residues pruned to eliminate duplicates Z: 35 37.887 2.108 0.784 0.738 0.941 0.765 CB 1.482 35 residues pruned to eliminate duplicates Z: 42 58.916 2.269 1.053 0.747 0.927 0.780 CA 1.708 42 residues pruned to eliminate duplicates Z: 70 84.009 2.368 1.143 0.712 0.957 0.768 CB 1.719 70 residues pruned to eliminate duplicates Z: 34 41.016 1.964 1.030 0.810 0.970 0.545 CB 1.410 34 residues pruned to eliminate duplicates Z: 13 17.644 1.907 0.726 0.765 0.917 0.417 CA 1.335 13 residues pruned to eliminate duplicates Z: 14 19.317 1.962 0.490 0.799 1.000 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 19 14.099 1.983 0.375 0.663 0.833 0.500 CB 1.258 19 residues pruned to eliminate duplicates Z: 14 10.468 1.766 0.329 0.856 0.923 0.615 CB 0.989 14 residues pruned to eliminate duplicates Z: 6 4.184 1.626 0.266 0.300 1.000 0.600 CB 1.136 Z: 10 14.439 1.742 0.608 0.923 1.000 1.000 CB 1.208 10 residues pruned to eliminate duplicates Z: 12 10.828 1.624 0.404 0.842 0.909 0.818 CB 1.173 Z: 21 24.468 2.035 0.750 0.635 0.900 0.800 CA 1.504 21 residues pruned to eliminate duplicates Z: 47 67.314 2.330 1.210 0.665 0.957 0.739 CB 1.730 47 residues pruned to eliminate duplicates Z: 25 25.472 1.922 0.724 0.759 0.958 0.583 CB 1.301 25 residues pruned to eliminate duplicates Z: 17 12.442 1.942 0.637 0.339 0.875 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 22 20.613 1.822 0.789 0.637 1.000 0.762 CB 1.213 19 residues pruned to eliminate duplicates Z: 114 74.832 2.194 0.869 0.678 0.929 0.681 CB 1.569 114 residues pruned to eliminate duplicates Z: 17 11.036 1.928 0.065 0.555 0.938 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 10 17.590 1.770 0.849 0.899 1.000 0.889 CB 1.280 11 residues pruned to eliminate duplicates Z: 10 13.718 1.884 0.886 0.808 0.889 0.333 CB 1.107 10 residues pruned to eliminate duplicates Z: 114 73.680 2.184 0.947 0.666 0.912 0.575 CB 1.533 114 residues pruned to eliminate duplicates Z: 11 11.280 1.650 0.478 0.904 1.000 0.600 CB 1.041 11 residues pruned to eliminate duplicates 347 residues left after pruning, divided into chains as follows: A: 114 B: 73 C: 10 D: 94 E: 56 CC for partial structure against native data = 39.73 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.518, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.592, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.707, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.716, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.727, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.732, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.737, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.739, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.742, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.743, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1792 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 432 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 63.481 2.514 1.296 0.932 0.947 0.842 CA 1.860 B: 20 69.566 2.593 1.252 0.929 1.000 0.737 CA 1.912 19 residues pruned to eliminate duplicates C: 20 72.864 2.596 1.223 0.936 1.000 0.895 CB 2.017 21 residues pruned to eliminate duplicates D: 20 73.118 2.554 1.327 0.948 1.000 0.789 CA 1.950 19 residues pruned to eliminate duplicates E: 19 75.635 2.634 1.340 0.951 1.000 0.889 CA 1.994 20 residues pruned to eliminate duplicates F: 20 68.945 2.588 1.177 0.938 1.000 0.895 CA 1.952 20 residues pruned to eliminate duplicates G: 20 64.617 2.582 1.108 0.900 1.000 0.842 CA 1.945 20 residues pruned to eliminate duplicates H: 16 22.440 2.259 0.409 0.864 0.800 0.600 CB 1.669 I: 14 26.807 2.170 0.609 0.855 0.923 0.692 CA 1.703 J: 20 65.716 2.562 1.143 0.903 1.000 0.684 CB 1.958 20 residues pruned to eliminate duplicates K: 21 54.415 2.451 0.956 0.929 1.000 0.950 CA 1.776 20 residues pruned to eliminate duplicates L: 16 25.322 2.278 0.349 0.830 0.933 0.533 CB 1.714 15 residues pruned to eliminate duplicates M: 17 23.677 2.187 0.373 0.821 0.875 0.625 CB 1.706 16 residues pruned to eliminate duplicates N: 21 64.545 2.535 1.228 0.915 0.950 0.700 CA 1.900 21 residues pruned to eliminate duplicates O: 13 34.139 2.231 0.873 0.876 0.917 0.750 CA 1.869 14 residues pruned to eliminate duplicates P: 16 24.923 2.236 0.474 0.850 0.867 0.467 CB 1.669 18 residues pruned to eliminate duplicates Q: 15 28.279 2.331 0.608 0.869 0.857 0.714 CB 1.718 16 residues pruned to eliminate duplicates R: 20 45.944 2.327 0.850 0.934 0.947 0.842 CA 1.802 S: 18 34.561 2.100 0.909 0.814 0.941 0.647 CB 1.691 15 residues pruned to eliminate duplicates T: 21 62.782 2.524 1.223 0.907 0.950 0.850 CA 1.872 21 residues pruned to eliminate duplicates U: 21 42.434 2.316 0.561 0.931 1.000 0.950 CA 1.834 21 residues pruned to eliminate duplicates V: 21 54.036 2.233 1.222 0.925 1.000 0.500 CB 1.709 20 residues pruned to eliminate duplicates W: 19 82.139 2.618 1.483 0.961 1.000 0.444 CB 2.038 20 residues pruned to eliminate duplicates X: 15 36.125 2.422 1.045 0.869 0.929 0.786 CA 1.534 Y: 21 56.010 2.361 1.071 0.945 0.950 0.550 CB 1.866 20 residues pruned to eliminate duplicates Z: 14 29.310 1.990 0.718 0.911 1.000 0.846 O 1.684 14 residues pruned to eliminate duplicates Z: 13 28.479 2.177 0.478 0.897 1.000 0.750 CA 1.829 13 residues pruned to eliminate duplicates Z: 18 35.022 2.397 0.960 0.914 0.824 0.588 CB 1.553 Z: 21 53.507 2.368 0.993 0.939 0.950 0.750 CA 1.854 21 residues pruned to eliminate duplicates Z: 14 37.892 2.419 0.982 0.901 1.000 0.846 CA 1.565 15 residues pruned to eliminate duplicates Z: 15 35.584 2.400 0.950 0.863 1.000 0.857 CA 1.492 15 residues pruned to eliminate duplicates Z: 16 22.878 2.075 0.409 0.881 0.933 0.867 CB 1.567 Z: 15 47.246 2.457 1.465 0.833 1.000 0.500 CA 1.563 15 residues pruned to eliminate duplicates Z: 21 56.412 2.351 1.054 0.937 1.000 0.750 CB 1.817 22 residues pruned to eliminate duplicates Z: 21 77.465 2.475 1.527 0.922 1.000 0.750 CA 1.947 21 residues pruned to eliminate duplicates Z: 15 42.190 2.386 1.215 0.862 0.929 0.357 CA 1.687 15 residues pruned to eliminate duplicates Z: 21 51.486 2.322 1.031 0.943 0.950 0.850 CA 1.781 21 residues pruned to eliminate duplicates Z: 15 25.541 2.084 0.441 0.829 1.000 0.786 O 1.710 15 residues pruned to eliminate duplicates Z: 24 43.455 2.212 1.150 0.899 0.957 0.478 CB 1.423 19 residues pruned to eliminate duplicates Z: 17 25.335 2.089 0.529 0.864 0.938 0.562 CB 1.552 16 residues pruned to eliminate duplicates Z: 23 43.377 2.226 1.160 0.913 0.955 0.636 CB 1.426 22 residues pruned to eliminate duplicates Z: 18 27.000 2.137 0.459 0.859 0.941 0.588 CB 1.643 18 residues pruned to eliminate duplicates Z: 6 5.217 1.855 0.364 0.592 0.600 0.600 CB 1.408 Z: 13 42.965 2.424 1.217 0.888 1.000 0.750 CA 1.664 13 residues pruned to eliminate duplicates Z: 21 70.277 2.443 1.447 0.931 0.950 0.300 CB 1.933 21 residues pruned to eliminate duplicates Z: 20 50.005 2.344 1.266 0.947 0.947 0.474 CB 1.576 23 residues pruned to eliminate duplicates Z: 14 25.040 2.194 0.540 0.798 0.923 0.538 CB 1.716 14 residues pruned to eliminate duplicates Z: 21 48.261 2.366 0.966 0.947 1.000 0.650 CB 1.604 19 residues pruned to eliminate duplicates Z: 23 41.571 2.289 0.906 0.939 0.909 0.636 CB 1.553 23 residues pruned to eliminate duplicates Z: 21 69.305 2.530 1.229 0.931 1.000 0.650 CA 1.920 21 residues pruned to eliminate duplicates Z: 21 39.606 2.296 0.623 0.941 0.950 0.850 CA 1.736 21 residues pruned to eliminate duplicates Z: 6 6.982 1.943 0.086 0.828 1.000 0.600 CB 1.114 Z: 25 40.630 2.190 0.989 0.879 0.958 0.583 CB 1.441 25 residues pruned to eliminate duplicates Z: 16 30.259 2.298 0.700 0.846 0.867 0.667 CB 1.715 18 residues pruned to eliminate duplicates Z: 16 28.814 2.086 0.895 0.860 0.933 0.867 CB 1.482 Z: 15 32.755 2.381 0.862 0.859 1.000 0.714 CA 1.453 15 residues pruned to eliminate duplicates Z: 21 50.681 2.307 0.923 0.930 1.000 0.850 CB 1.787 21 residues pruned to eliminate duplicates Z: 19 70.985 2.615 1.272 0.948 1.000 0.833 CA 1.946 19 residues pruned to eliminate duplicates Z: 15 28.478 2.161 0.988 0.876 0.929 0.786 CB 1.387 15 residues pruned to eliminate duplicates Z: 20 56.922 2.358 1.156 0.896 1.000 0.579 CB 1.841 20 residues pruned to eliminate duplicates Z: 21 55.167 2.350 1.016 0.932 1.000 0.650 CA 1.818 21 residues pruned to eliminate duplicates Z: 17 15.206 2.226 0.242 0.650 0.812 0.750 CB 1.471 Z: 21 51.972 2.337 0.964 0.906 1.000 0.750 CB 1.800 21 residues pruned to eliminate duplicates Z: 19 59.984 2.441 1.211 0.955 0.944 0.444 CB 1.906 20 residues pruned to eliminate duplicates Z: 13 24.399 2.235 0.434 0.792 0.917 0.667 CA 1.855 13 residues pruned to eliminate duplicates Z: 21 57.482 2.337 1.113 0.935 1.000 0.650 CB 1.814 21 residues pruned to eliminate duplicates Z: 21 47.513 2.342 0.949 0.897 0.950 0.700 CA 1.754 21 residues pruned to eliminate duplicates Z: 6 5.656 1.903 0.075 0.819 0.800 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 16 23.714 2.129 0.342 0.870 0.933 0.800 CA 1.676 17 residues pruned to eliminate duplicates Z: 21 45.615 2.334 0.799 0.940 0.950 0.800 CA 1.775 21 residues pruned to eliminate duplicates Z: 15 21.788 1.962 0.455 0.854 0.929 0.786 CB 1.622 15 residues pruned to eliminate duplicates Z: 15 40.479 2.392 1.422 0.865 0.929 0.857 CA 1.473 15 residues pruned to eliminate duplicates Z: 15 26.539 2.185 0.910 0.856 0.857 0.714 CB 1.463 15 residues pruned to eliminate duplicates Z: 18 22.673 2.062 0.452 0.856 0.882 0.765 CB 1.535 18 residues pruned to eliminate duplicates Z: 19 23.237 2.128 0.469 0.692 1.000 0.778 CB 1.469 17 residues pruned to eliminate duplicates Z: 63 43.559 2.096 0.730 0.677 0.935 0.661 CB 1.385 42 residues pruned to eliminate duplicates Z: 14 13.507 1.978 0.405 0.764 0.923 0.846 CB 1.156 Z: 24 31.360 2.178 0.650 0.888 0.913 0.609 CB 1.436 24 residues pruned to eliminate duplicates Z: 15 20.283 2.187 0.288 0.765 0.929 0.857 CB 1.638 15 residues pruned to eliminate duplicates Z: 22 30.615 2.301 1.031 0.876 0.762 0.286 CB 1.363 22 residues pruned to eliminate duplicates Z: 24 31.377 2.170 0.531 0.924 0.957 0.783 CB 1.446 24 residues pruned to eliminate duplicates Z: 14 27.890 2.300 0.645 0.880 0.846 0.769 CB 1.751 14 residues pruned to eliminate duplicates Z: 14 26.290 2.204 0.525 0.904 0.923 0.692 CB 1.674 14 residues pruned to eliminate duplicates Z: 18 18.312 2.156 0.363 0.631 0.882 0.647 CB 1.515 18 residues pruned to eliminate duplicates Z: 15 25.298 2.172 0.605 0.833 0.929 0.786 CA 1.567 15 residues pruned to eliminate duplicates Z: 15 34.395 2.361 1.215 0.885 0.857 0.643 CA 1.480 15 residues pruned to eliminate duplicates Z: 23 39.978 2.153 0.714 0.914 1.000 0.955 CA 1.633 23 residues pruned to eliminate duplicates Z: 18 17.042 1.945 0.281 0.857 0.882 0.588 CB 1.385 Z: 19 80.598 2.631 1.451 0.959 1.000 0.667 CB 2.020 19 residues pruned to eliminate duplicates Z: 15 33.729 2.308 1.114 0.830 0.929 0.643 CA 1.496 15 residues pruned to eliminate duplicates Z: 15 22.570 2.289 0.495 0.876 0.929 0.929 CA 1.380 14 residues pruned to eliminate duplicates Z: 13 45.707 2.430 1.382 0.903 1.000 0.750 CA 1.625 13 residues pruned to eliminate duplicates Z: 14 41.131 2.513 1.146 0.874 0.923 0.846 CA 1.667 14 residues pruned to eliminate duplicates Z: 13 32.441 2.290 0.658 0.889 1.000 0.750 CB 1.776 13 residues pruned to eliminate duplicates Z: 13 12.247 1.723 0.252 0.832 1.000 0.750 CB 1.230 Z: 21 42.170 2.308 0.706 0.935 0.950 0.950 CA 1.757 21 residues pruned to eliminate duplicates Z: 13 28.283 2.239 0.538 0.851 1.000 0.750 CA 1.754 13 residues pruned to eliminate duplicates Z: 21 23.078 2.168 0.315 0.927 0.900 0.750 CB 1.409 21 residues pruned to eliminate duplicates Z: 14 31.398 2.270 0.941 0.880 0.923 0.769 CB 1.552 14 residues pruned to eliminate duplicates Z: 16 29.684 2.072 1.082 0.905 0.933 0.800 CB 1.355 17 residues pruned to eliminate duplicates Z: 14 24.346 2.127 0.553 0.784 1.000 0.615 CB 1.592 Z: 12 14.887 2.067 0.255 0.833 1.000 0.727 CB 1.298 14 residues pruned to eliminate duplicates Z: 22 30.643 2.269 0.382 0.928 1.000 0.810 CB 1.492 22 residues pruned to eliminate duplicates Z: 13 16.631 2.115 0.291 0.812 1.000 0.583 CB 1.341 12 residues pruned to eliminate duplicates Z: 16 28.813 2.069 1.039 0.838 0.933 0.800 CB 1.412 15 residues pruned to eliminate duplicates Z: 22 44.334 2.236 0.836 0.914 1.000 0.762 CA 1.666 22 residues pruned to eliminate duplicates Z: 13 30.632 2.184 0.676 0.855 1.000 0.667 CA 1.783 13 residues pruned to eliminate duplicates Z: 18 26.356 2.015 0.712 0.854 0.941 0.529 CB 1.454 17 residues pruned to eliminate duplicates Z: 13 20.008 2.059 0.428 0.840 0.917 0.667 CB 1.598 13 residues pruned to eliminate duplicates Z: 16 20.800 2.003 0.843 0.779 0.867 0.667 CB 1.312 Z: 13 17.595 2.032 0.521 0.770 0.917 0.500 CB 1.412 12 residues pruned to eliminate duplicates Z: 16 30.063 2.094 1.165 0.852 0.933 0.733 CB 1.357 16 residues pruned to eliminate duplicates Z: 17 24.946 1.949 0.720 0.945 1.000 0.812 CB 1.288 Z: 13 20.294 2.172 0.430 0.814 0.917 0.750 CB 1.565 13 residues pruned to eliminate duplicates Z: 18 20.054 2.001 0.397 0.765 0.941 0.588 CA 1.462 Z: 17 27.786 2.102 0.732 0.860 0.875 0.438 CB 1.603 18 residues pruned to eliminate duplicates Z: 12 23.280 2.168 0.456 0.793 1.000 0.727 CA 1.719 12 residues pruned to eliminate duplicates Z: 22 37.180 2.332 0.683 0.927 0.952 0.857 CB 1.521 22 residues pruned to eliminate duplicates Z: 6 10.059 2.002 0.286 0.830 1.000 0.600 CB 1.314 6 residues pruned to eliminate duplicates Z: 8 13.217 2.199 0.414 0.754 1.000 0.714 CB 1.281 8 residues pruned to eliminate duplicates Z: 15 31.348 2.176 0.777 0.854 1.000 0.786 CA 1.601 15 residues pruned to eliminate duplicates Z: 17 18.041 1.869 0.384 0.920 0.938 0.625 CB 1.309 17 residues pruned to eliminate duplicates Z: 16 25.657 2.250 0.537 0.773 0.867 0.667 CB 1.736 16 residues pruned to eliminate duplicates Z: 14 22.547 2.097 0.398 0.812 1.000 0.769 CA 1.626 14 residues pruned to eliminate duplicates Z: 6 11.458 1.855 0.500 0.825 1.000 0.600 CB 1.389 6 residues pruned to eliminate duplicates Z: 14 35.176 2.422 0.659 0.832 1.000 0.769 CB 1.823 14 residues pruned to eliminate duplicates Z: 14 17.099 2.004 0.374 0.735 1.000 0.769 CB 1.394 14 residues pruned to eliminate duplicates Z: 14 27.805 2.128 0.778 0.861 1.000 0.846 CB 1.498 13 residues pruned to eliminate duplicates Z: 81 55.408 2.181 0.791 0.684 0.925 0.663 CB 1.449 71 residues pruned to eliminate duplicates Z: 11 15.885 1.989 0.460 0.845 1.000 1.000 CB 1.286 11 residues pruned to eliminate duplicates Z: 17 32.578 2.086 0.750 0.888 1.000 0.750 CA 1.608 17 residues pruned to eliminate duplicates Z: 9 9.844 1.865 0.099 0.866 0.875 0.875 CB 1.421 Z: 14 23.399 2.029 0.593 0.796 1.000 0.615 CB 1.550 14 residues pruned to eliminate duplicates Z: 15 39.829 2.257 1.186 0.879 1.000 0.714 CA 1.564 15 residues pruned to eliminate duplicates Z: 13 18.773 2.067 0.441 0.845 1.000 0.750 CB 1.352 13 residues pruned to eliminate duplicates Z: 16 23.884 2.129 0.451 0.829 1.000 0.667 CB 1.503 16 residues pruned to eliminate duplicates Z: 15 34.183 2.390 1.004 0.837 1.000 0.714 CA 1.427 15 residues pruned to eliminate duplicates Z: 19 39.604 2.297 1.116 0.654 1.000 0.556 CA 1.664 15 residues pruned to eliminate duplicates Z: 13 19.930 2.046 0.318 0.832 1.000 0.833 CA 1.601 13 residues pruned to eliminate duplicates Z: 6 7.831 2.055 0.481 0.745 1.000 0.400 CA 0.924 5 residues pruned to eliminate duplicates Z: 76 75.177 2.376 0.959 0.658 0.907 0.600 CB 1.775 75 residues pruned to eliminate duplicates Z: 11 18.897 2.302 0.362 0.825 0.900 0.800 CB 1.598 11 residues pruned to eliminate duplicates Z: 12 14.646 1.728 0.342 0.937 1.000 1.000 CB 1.325 12 residues pruned to eliminate duplicates Z: 16 20.837 2.054 0.372 0.852 1.000 0.733 CB 1.412 18 residues pruned to eliminate duplicates Z: 17 34.124 2.112 0.792 0.899 1.000 0.750 CB 1.612 17 residues pruned to eliminate duplicates Z: 20 76.092 2.549 1.442 0.923 1.000 0.526 CB 1.970 20 residues pruned to eliminate duplicates Z: 11 12.637 1.605 0.451 0.911 1.000 1.000 CB 1.217 9 residues pruned to eliminate duplicates Z: 12 12.491 1.732 0.279 0.890 1.000 0.909 CB 1.224 12 residues pruned to eliminate duplicates Z: 16 32.117 2.065 1.273 0.872 0.867 0.600 CB 1.486 16 residues pruned to eliminate duplicates Z: 22 45.047 2.344 1.079 0.936 0.905 0.619 CB 1.554 22 residues pruned to eliminate duplicates Z: 38 61.989 2.370 1.052 0.729 0.946 0.568 CB 1.803 18 residues pruned to eliminate duplicates Z: 14 22.232 2.134 0.319 0.817 1.000 0.846 CA 1.663 14 residues pruned to eliminate duplicates Z: 12 12.607 1.717 0.280 0.929 1.000 0.909 CB 1.210 12 residues pruned to eliminate duplicates Z: 10 10.816 1.858 0.308 0.843 0.889 0.667 CB 1.242 9 residues pruned to eliminate duplicates Z: 14 34.180 2.436 0.614 0.883 0.923 0.615 CB 1.889 14 residues pruned to eliminate duplicates Z: 16 33.336 2.331 0.966 0.815 0.933 0.733 CA 1.530 16 residues pruned to eliminate duplicates Z: 11 19.908 2.007 0.431 0.898 1.000 0.800 CA 1.568 11 residues pruned to eliminate duplicates Z: 12 14.394 1.639 0.480 0.896 1.000 0.909 CB 1.281 Z: 19 21.600 2.002 0.512 0.829 1.000 0.667 CB 1.266 18 residues pruned to eliminate duplicates Z: 17 25.787 2.072 0.623 0.864 0.875 0.562 CB 1.607 17 residues pruned to eliminate duplicates Z: 13 18.724 2.030 0.342 0.842 0.917 0.667 CB 1.614 13 residues pruned to eliminate duplicates Z: 23 36.839 2.285 0.529 0.931 1.000 0.955 CB 1.571 23 residues pruned to eliminate duplicates Z: 12 14.753 1.735 0.462 0.894 1.000 0.727 CB 1.258 12 residues pruned to eliminate duplicates Z: 13 11.238 2.100 0.328 0.859 0.667 0.417 CB 1.284 13 residues pruned to eliminate duplicates Z: 12 14.064 1.906 0.294 0.805 1.000 0.909 CB 1.317 12 residues pruned to eliminate duplicates Z: 12 13.874 2.048 0.328 0.854 0.818 0.818 CB 1.389 12 residues pruned to eliminate duplicates Z: 18 22.216 2.045 0.528 0.794 1.000 0.471 CB 1.333 18 residues pruned to eliminate duplicates Z: 12 10.361 1.959 0.056 0.821 0.909 0.727 CB 1.258 12 residues pruned to eliminate duplicates Z: 21 14.989 1.800 0.118 0.926 1.000 1.000 CB 1.168 21 residues pruned to eliminate duplicates Z: 13 31.823 2.184 1.062 0.861 1.000 0.667 CB 1.499 13 residues pruned to eliminate duplicates Z: 18 17.492 2.000 0.424 0.817 0.941 0.765 CB 1.201 18 residues pruned to eliminate duplicates Z: 16 19.519 2.082 0.492 0.752 0.933 0.667 CB 1.388 16 residues pruned to eliminate duplicates Z: 12 13.691 1.760 0.416 0.882 0.909 0.727 CB 1.318 10 residues pruned to eliminate duplicates Z: 37 27.250 2.078 0.545 0.642 0.944 0.750 CB 1.311 37 residues pruned to eliminate duplicates Z: 22 23.749 1.860 0.514 0.915 0.952 0.762 CB 1.365 17 residues pruned to eliminate duplicates Z: 13 24.085 2.093 1.204 0.861 0.833 0.250 CB 1.329 13 residues pruned to eliminate duplicates Z: 14 20.096 2.045 0.713 0.882 0.846 0.769 CB 1.360 14 residues pruned to eliminate duplicates Z: 19 20.984 2.129 0.686 0.679 0.889 0.611 CB 1.315 19 residues pruned to eliminate duplicates Z: 15 29.178 2.255 0.629 0.832 0.929 0.643 CB 1.716 15 residues pruned to eliminate duplicates Z: 11 21.447 2.016 0.476 0.874 1.000 0.900 CA 1.659 11 residues pruned to eliminate duplicates Z: 17 19.309 2.030 0.347 0.807 1.000 0.750 CB 1.351 16 residues pruned to eliminate duplicates Z: 16 32.463 2.237 0.699 0.888 0.933 0.867 CB 1.703 16 residues pruned to eliminate duplicates Z: 12 14.510 1.751 0.402 0.902 1.000 0.818 CB 1.272 12 residues pruned to eliminate duplicates Z: 15 13.356 2.000 0.435 0.745 0.786 0.714 CB 1.272 15 residues pruned to eliminate duplicates Z: 10 30.394 2.248 0.909 0.823 1.000 0.667 CA 1.785 10 residues pruned to eliminate duplicates Z: 17 19.710 1.970 0.431 0.785 0.938 0.625 CB 1.451 17 residues pruned to eliminate duplicates Z: 11 14.376 1.774 0.330 0.872 1.000 0.800 CB 1.404 10 residues pruned to eliminate duplicates Z: 11 13.760 1.851 0.410 0.860 0.900 0.900 CB 1.363 11 residues pruned to eliminate duplicates Z: 46 45.958 2.141 0.706 0.790 0.956 0.733 CB 1.522 46 residues pruned to eliminate duplicates Z: 18 24.469 1.988 0.564 0.802 0.941 0.706 CB 1.558 18 residues pruned to eliminate duplicates Z: 54 73.983 2.440 0.872 0.729 0.943 0.642 CB 1.920 37 residues pruned to eliminate duplicates Z: 13 13.838 1.969 0.284 0.781 1.000 0.750 CB 1.233 13 residues pruned to eliminate duplicates Z: 55 73.248 2.412 0.799 0.727 1.000 0.685 CB 1.871 55 residues pruned to eliminate duplicates Z: 32 22.772 1.865 0.535 0.661 0.935 0.742 CB 1.316 28 residues pruned to eliminate duplicates Z: 14 15.127 1.946 0.334 0.811 1.000 0.769 CB 1.233 14 residues pruned to eliminate duplicates Z: 21 24.985 1.911 0.600 0.915 1.000 0.700 CB 1.291 21 residues pruned to eliminate duplicates Z: 23 37.342 2.220 0.824 0.902 1.000 0.818 CB 1.402 23 residues pruned to eliminate duplicates Z: 11 11.230 1.704 0.435 0.834 0.900 0.800 CB 1.210 11 residues pruned to eliminate duplicates Z: 15 30.049 2.253 0.512 0.883 1.000 0.643 CB 1.705 15 residues pruned to eliminate duplicates Z: 18 23.542 2.146 0.401 0.785 0.941 0.824 CB 1.571 18 residues pruned to eliminate duplicates Z: 50 57.308 2.249 0.762 0.814 0.980 0.735 CB 1.605 50 residues pruned to eliminate duplicates Z: 19 26.760 1.881 0.827 0.930 0.944 0.722 CB 1.360 19 residues pruned to eliminate duplicates Z: 13 11.585 1.709 0.400 0.827 1.000 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 18 18.545 1.956 0.500 0.800 0.941 0.529 CB 1.253 18 residues pruned to eliminate duplicates Z: 15 30.951 2.401 0.718 0.866 1.000 0.786 CA 1.469 15 residues pruned to eliminate duplicates Z: 14 24.036 2.204 0.551 0.833 0.923 0.692 CB 1.585 14 residues pruned to eliminate duplicates Z: 19 14.684 2.025 0.337 0.615 0.833 0.611 CB 1.376 19 residues pruned to eliminate duplicates Z: 13 12.600 2.079 0.086 0.806 1.000 0.667 CB 1.233 13 residues pruned to eliminate duplicates Z: 21 25.830 1.894 0.852 0.941 0.900 0.550 CB 1.269 21 residues pruned to eliminate duplicates Z: 19 33.981 2.425 0.807 0.659 0.944 0.778 CA 1.670 19 residues pruned to eliminate duplicates Z: 12 26.485 2.338 0.583 0.848 0.909 0.455 CB 1.761 12 residues pruned to eliminate duplicates Z: 10 14.554 1.776 0.408 0.921 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 22 25.058 1.821 0.633 0.907 1.000 0.952 CB 1.307 21 residues pruned to eliminate duplicates Z: 15 20.899 2.103 0.349 0.751 1.000 0.786 CB 1.574 15 residues pruned to eliminate duplicates Z: 17 18.016 1.943 0.259 0.932 1.000 1.000 CB 1.287 17 residues pruned to eliminate duplicates Z: 10 14.525 1.860 0.616 0.883 1.000 0.778 CB 1.165 11 residues pruned to eliminate duplicates Z: 21 42.930 2.319 0.769 0.931 0.950 0.800 CA 1.721 21 residues pruned to eliminate duplicates Z: 11 12.848 1.993 0.120 0.860 1.000 0.700 CB 1.339 11 residues pruned to eliminate duplicates Z: 11 15.698 1.841 0.429 0.875 1.000 0.900 CB 1.372 11 residues pruned to eliminate duplicates Z: 21 58.690 2.445 1.091 0.933 1.000 0.850 CA 1.791 21 residues pruned to eliminate duplicates Z: 12 11.337 1.720 0.250 0.916 1.000 0.636 CB 1.122 12 residues pruned to eliminate duplicates Z: 19 63.777 2.510 1.244 0.926 1.000 0.833 CA 1.871 19 residues pruned to eliminate duplicates Z: 15 22.059 2.112 0.566 0.836 0.929 0.857 CB 1.436 15 residues pruned to eliminate duplicates Z: 21 30.573 1.914 0.965 0.945 0.950 0.500 CB 1.324 22 residues pruned to eliminate duplicates Z: 29 23.424 1.884 0.466 0.702 0.964 0.714 CB 1.382 30 residues pruned to eliminate duplicates Z: 22 30.967 1.876 0.774 0.939 1.000 0.571 CB 1.410 21 residues pruned to eliminate duplicates Z: 19 24.200 1.809 0.872 0.905 0.889 0.611 CB 1.348 19 residues pruned to eliminate duplicates Z: 13 14.561 1.884 0.255 0.851 1.000 0.833 CB 1.316 13 residues pruned to eliminate duplicates Z: 10 15.237 1.654 0.754 0.921 1.000 0.889 CB 1.232 10 residues pruned to eliminate duplicates Z: 17 22.041 1.972 0.674 0.788 0.938 0.625 CB 1.382 17 residues pruned to eliminate duplicates Z: 18 21.788 2.017 0.493 0.775 0.941 0.529 CB 1.462 19 residues pruned to eliminate duplicates Z: 23 20.647 1.909 0.566 0.630 0.955 0.682 CB 1.365 22 residues pruned to eliminate duplicates Z: 6 7.187 1.746 0.335 0.812 0.800 0.600 CA 1.314 6 residues pruned to eliminate duplicates Z: 11 12.091 1.566 0.554 0.886 1.000 0.600 CB 1.133 10 residues pruned to eliminate duplicates Z: 11 12.650 1.697 0.322 0.911 1.000 0.900 CB 1.264 11 residues pruned to eliminate duplicates Z: 22 27.867 1.898 0.869 0.937 0.905 0.619 CB 1.318 23 residues pruned to eliminate duplicates Z: 20 75.973 2.557 1.439 0.962 1.000 0.316 CB 1.912 20 residues pruned to eliminate duplicates Z: 52 56.340 2.216 0.909 0.787 0.941 0.647 CB 1.540 52 residues pruned to eliminate duplicates Z: 21 50.395 2.332 0.977 0.940 0.950 0.950 CA 1.786 21 residues pruned to eliminate duplicates Z: 17 20.042 1.985 0.432 0.943 1.000 0.875 CB 1.221 17 residues pruned to eliminate duplicates Z: 22 31.662 1.902 0.872 0.932 1.000 0.429 CB 1.355 22 residues pruned to eliminate duplicates Z: 22 47.299 2.254 0.962 0.918 0.952 0.476 CA 1.728 22 residues pruned to eliminate duplicates Z: 11 21.813 2.343 0.450 0.892 1.000 0.800 CB 1.459 11 residues pruned to eliminate duplicates Z: 12 10.637 1.724 0.270 0.857 1.000 0.909 CB 1.080 12 residues pruned to eliminate duplicates Z: 14 18.742 1.995 0.522 0.833 0.923 0.923 CB 1.391 14 residues pruned to eliminate duplicates Z: 15 14.342 2.070 0.772 0.899 0.643 0.357 CB 1.162 15 residues pruned to eliminate duplicates Z: 12 15.537 1.989 0.351 0.844 1.000 0.909 CB 1.297 12 residues pruned to eliminate duplicates Z: 13 16.916 1.714 0.523 0.916 1.000 0.583 CB 1.320 11 residues pruned to eliminate duplicates Z: 18 11.566 1.888 0.147 0.816 0.824 0.588 CB 1.196 18 residues pruned to eliminate duplicates Z: 11 13.131 1.600 0.647 0.899 1.000 0.900 CB 1.126 11 residues pruned to eliminate duplicates Z: 10 9.846 1.934 0.062 0.807 0.889 0.778 CB 1.375 10 residues pruned to eliminate duplicates Z: 20 53.541 2.431 1.163 0.884 0.947 0.526 CB 1.782 20 residues pruned to eliminate duplicates Z: 16 19.965 1.995 0.489 0.722 1.000 0.733 CB 1.420 16 residues pruned to eliminate duplicates Z: 12 15.151 1.981 0.143 0.821 1.000 0.818 CB 1.529 12 residues pruned to eliminate duplicates Z: 7 3.640 1.495 0.423 0.443 0.833 0.667 CB 0.889 Z: 12 16.284 1.758 0.508 0.925 1.000 0.909 CB 1.299 12 residues pruned to eliminate duplicates Z: 21 23.508 1.840 0.478 0.939 1.000 0.950 CB 1.343 21 residues pruned to eliminate duplicates Z: 13 13.319 1.808 0.551 0.837 0.833 0.583 CB 1.231 13 residues pruned to eliminate duplicates Z: 24 25.633 2.136 0.606 0.597 0.957 0.739 CB 1.484 24 residues pruned to eliminate duplicates Z: 20 24.127 1.927 0.598 0.921 1.000 1.000 CB 1.265 20 residues pruned to eliminate duplicates Z: 16 25.308 1.973 0.919 0.921 0.933 0.467 CB 1.301 16 residues pruned to eliminate duplicates Z: 11 15.182 1.776 0.436 0.923 1.000 0.900 CB 1.323 12 residues pruned to eliminate duplicates 6 1.350 1.476 0.393 0.300 0.600 0.400 N 0.612 ? Z: 9 9.139 1.638 0.855 0.864 0.750 0.625 CB 1.040 9 residues pruned to eliminate duplicates Z: 10 10.458 1.658 0.196 0.917 1.000 1.000 CA 1.241 10 residues pruned to eliminate duplicates Z: 77 84.322 2.401 0.941 0.665 0.947 0.645 CB 1.880 77 residues pruned to eliminate duplicates Z: 14 17.889 2.026 0.499 0.748 1.000 0.769 CB 1.309 14 residues pruned to eliminate duplicates Z: 13 29.931 2.157 0.966 0.889 0.917 0.583 CB 1.600 13 residues pruned to eliminate duplicates Z: 11 16.141 1.749 0.714 0.918 1.000 0.600 CB 1.201 11 residues pruned to eliminate duplicates Z: 19 13.752 1.763 0.463 0.594 0.889 0.722 CB 1.292 19 residues pruned to eliminate duplicates Z: 14 26.188 2.171 0.838 0.849 0.923 0.769 CB 1.461 14 residues pruned to eliminate duplicates Z: 12 14.748 1.740 0.325 0.916 1.000 0.909 CB 1.361 12 residues pruned to eliminate duplicates Z: 18 18.488 2.030 0.348 0.822 0.941 0.824 CB 1.318 18 residues pruned to eliminate duplicates Z: 13 19.293 2.029 0.441 0.792 1.000 0.750 CA 1.475 13 residues pruned to eliminate duplicates Z: 14 17.334 2.046 0.707 0.732 1.000 0.538 CB 1.117 14 residues pruned to eliminate duplicates Z: 42 63.096 2.404 0.920 0.722 0.927 0.756 CA 1.884 42 residues pruned to eliminate duplicates Z: 10 12.344 1.660 0.800 0.907 0.889 0.222 CB 1.101 10 residues pruned to eliminate duplicates Z: 11 12.593 1.784 0.722 0.913 0.800 0.500 CB 1.147 11 residues pruned to eliminate duplicates Z: 12 12.258 1.664 0.334 0.923 1.000 0.909 CB 1.170 12 residues pruned to eliminate duplicates Z: 7 3.080 1.455 0.325 0.261 0.833 0.667 CB 1.029 Z: 6 3.413 1.781 0.434 0.726 0.600 0.600 CB 0.812 6 residues pruned to eliminate duplicates Z: 51 81.309 2.444 1.069 0.778 0.940 0.600 CB 1.894 51 residues pruned to eliminate duplicates Z: 22 35.893 1.890 1.159 0.950 1.000 0.524 CB 1.324 22 residues pruned to eliminate duplicates Z: 11 10.184 1.801 0.151 0.815 0.900 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 12 13.103 1.995 0.504 0.813 1.000 0.455 CB 1.003 12 residues pruned to eliminate duplicates Z: 20 36.387 2.342 0.442 0.937 1.000 0.895 CA 1.721 20 residues pruned to eliminate duplicates Z: 98 72.018 2.300 0.812 0.649 0.907 0.588 CB 1.684 91 residues pruned to eliminate duplicates Z: 12 12.707 1.690 0.538 0.922 1.000 0.818 CB 1.037 12 residues pruned to eliminate duplicates Z: 18 23.196 1.998 0.546 0.833 0.941 0.765 CB 1.451 18 residues pruned to eliminate duplicates Z: 92 84.764 2.373 0.888 0.660 0.945 0.637 CB 1.809 92 residues pruned to eliminate duplicates Z: 13 17.088 2.026 0.619 0.922 0.917 0.750 CB 1.153 13 residues pruned to eliminate duplicates Z: 17 20.033 1.908 0.715 0.903 0.875 0.438 CB 1.247 17 residues pruned to eliminate duplicates Z: 12 21.170 2.307 0.316 0.856 0.909 0.818 CB 1.705 12 residues pruned to eliminate duplicates Z: 6 9.219 2.167 0.047 0.686 1.000 0.800 CB 1.533 6 residues pruned to eliminate duplicates Z: 40 36.756 1.980 0.777 0.748 0.949 0.564 CB 1.413 40 residues pruned to eliminate duplicates Z: 11 14.331 1.795 0.312 0.849 1.000 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 11 12.703 1.603 0.742 0.898 0.900 0.700 CB 1.143 11 residues pruned to eliminate duplicates Z: 13 14.377 1.941 0.577 0.794 0.917 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 77 86.722 2.416 0.950 0.705 0.974 0.579 CB 1.800 77 residues pruned to eliminate duplicates Z: 101 72.709 2.290 0.773 0.657 0.920 0.630 CB 1.682 101 residues pruned to eliminate duplicates Z: 11 12.692 1.595 0.862 0.925 0.900 0.500 CB 1.054 11 residues pruned to eliminate duplicates Z: 9 9.743 1.695 0.250 0.755 1.000 0.875 CB 1.295 9 residues pruned to eliminate duplicates Z: 12 14.001 1.737 0.393 0.921 1.000 0.909 CB 1.227 12 residues pruned to eliminate duplicates Z: 115 79.732 2.307 0.680 0.665 0.947 0.649 CB 1.745 115 residues pruned to eliminate duplicates Z: 12 11.822 1.689 0.462 0.871 1.000 0.545 CB 1.053 12 residues pruned to eliminate duplicates Z: 18 22.428 1.799 0.594 0.853 1.000 0.647 CB 1.403 18 residues pruned to eliminate duplicates Z: 14 15.722 1.837 0.592 0.681 1.000 0.769 CB 1.262 14 residues pruned to eliminate duplicates Z: 16 13.651 1.934 0.296 0.671 0.933 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 13 11.980 1.642 0.211 0.903 1.000 0.667 CB 1.240 13 residues pruned to eliminate duplicates Z: 38 54.899 2.344 0.971 0.716 0.892 0.595 CB 1.801 19 residues pruned to eliminate duplicates Z: 41 23.523 1.976 0.450 0.580 0.850 0.550 CB 1.414 41 residues pruned to eliminate duplicates Z: 12 14.339 1.906 0.305 0.847 0.909 0.818 CB 1.418 12 residues pruned to eliminate duplicates Z: 17 16.907 1.973 0.230 0.901 0.938 0.875 CB 1.326 17 residues pruned to eliminate duplicates Z: 42 54.103 2.406 0.856 0.574 0.951 0.610 CA 1.852 42 residues pruned to eliminate duplicates Z: 8 13.988 2.212 0.628 0.777 1.000 0.571 CB 1.150 8 residues pruned to eliminate duplicates Z: 40 50.999 2.179 0.974 0.764 0.974 0.718 CB 1.542 40 residues pruned to eliminate duplicates Z: 9 13.466 2.156 0.499 0.729 0.875 0.500 CB 1.370 9 residues pruned to eliminate duplicates Z: 20 15.696 1.779 0.479 0.567 0.895 0.579 CB 1.434 20 residues pruned to eliminate duplicates Z: 12 16.315 1.872 0.606 0.858 0.909 0.545 CB 1.326 12 residues pruned to eliminate duplicates Z: 52 52.915 2.158 0.857 0.772 1.000 0.647 CB 1.454 52 residues pruned to eliminate duplicates Z: 26 27.525 2.001 0.724 0.801 1.000 0.640 CB 1.226 26 residues pruned to eliminate duplicates Z: 8 16.719 1.899 0.896 0.757 1.000 0.714 CA 1.397 8 residues pruned to eliminate duplicates Z: 9 2.935 1.618 0.134 0.552 0.500 0.500 CB 1.076 9 residues pruned to eliminate duplicates Z: 15 28.279 2.356 0.911 0.783 1.000 0.571 CA 1.308 15 residues pruned to eliminate duplicates Z: 10 17.070 1.704 0.807 0.929 1.000 0.889 CB 1.293 10 residues pruned to eliminate duplicates Z: 111 77.466 2.302 0.734 0.655 0.927 0.564 CB 1.728 111 residues pruned to eliminate duplicates Z: 21 12.486 1.796 0.460 0.517 0.950 0.600 CB 1.102 21 residues pruned to eliminate duplicates Z: 40 22.405 1.951 0.478 0.705 0.923 0.513 CB 1.118 38 residues pruned to eliminate duplicates Z: 11 13.406 1.819 0.402 0.856 1.000 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 11 13.732 1.619 0.690 0.925 1.000 0.700 CB 1.114 11 residues pruned to eliminate duplicates Z: 7 2.197 1.398 0.354 0.245 0.667 0.333 CB 0.953 Z: 16 12.675 1.874 0.294 0.814 0.867 0.600 CB 1.185 16 residues pruned to eliminate duplicates Z: 39 46.298 2.085 0.870 0.815 1.000 0.579 CB 1.465 39 residues pruned to eliminate duplicates Z: 10 15.644 1.856 0.546 0.895 1.000 0.889 CB 1.303 10 residues pruned to eliminate duplicates Z: 12 19.273 2.022 0.468 0.878 1.000 0.909 CB 1.420 12 residues pruned to eliminate duplicates Z: 22 36.441 2.252 0.732 0.924 1.000 0.905 CB 1.432 22 residues pruned to eliminate duplicates Z: 9 17.260 2.063 0.756 0.712 1.000 0.375 CB 1.390 9 residues pruned to eliminate duplicates Z: 36 38.019 1.998 0.863 0.784 0.971 0.514 CB 1.384 36 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 17.187 1.953 0.510 0.629 0.800 0.560 CB 1.291 26 residues pruned to eliminate duplicates Z: 22 23.337 2.043 0.444 0.711 0.952 0.381 CB 1.496 22 residues pruned to eliminate duplicates Z: 114 81.326 2.325 0.795 0.652 0.912 0.637 CB 1.746 114 residues pruned to eliminate duplicates Z: 39 24.510 2.041 0.321 0.631 0.921 0.553 CB 1.415 39 residues pruned to eliminate duplicates Z: 17 21.081 2.086 0.338 0.802 0.938 0.688 CB 1.546 17 residues pruned to eliminate duplicates Z: 41 25.290 2.044 0.479 0.597 0.900 0.575 CB 1.339 41 residues pruned to eliminate duplicates Z: 42 24.834 2.041 0.361 0.614 0.902 0.683 CB 1.389 42 residues pruned to eliminate duplicates Z: 43 23.454 2.026 0.381 0.579 0.857 0.619 CB 1.397 43 residues pruned to eliminate duplicates Z: 39 22.194 2.039 0.317 0.595 0.842 0.658 CB 1.455 39 residues pruned to eliminate duplicates Z: 39 25.906 2.022 0.392 0.628 0.921 0.605 CB 1.437 39 residues pruned to eliminate duplicates Z: 40 24.273 1.998 0.365 0.608 0.923 0.641 CB 1.393 40 residues pruned to eliminate duplicates Z: 39 25.692 2.014 0.389 0.636 0.921 0.711 CB 1.423 38 residues pruned to eliminate duplicates Z: 17 20.281 2.052 0.354 0.800 0.938 0.750 CB 1.498 17 residues pruned to eliminate duplicates Z: 25 18.476 2.004 0.381 0.626 0.875 0.583 CB 1.383 25 residues pruned to eliminate duplicates Z: 38 25.736 2.037 0.458 0.618 0.892 0.486 CB 1.429 38 residues pruned to eliminate duplicates Z: 39 26.749 2.021 0.407 0.640 0.921 0.684 CB 1.453 39 residues pruned to eliminate duplicates Z: 18 18.911 2.044 0.227 0.791 0.941 0.588 CB 1.505 18 residues pruned to eliminate duplicates Z: 115 81.955 2.308 0.831 0.641 0.930 0.588 CB 1.713 115 residues pruned to eliminate duplicates Z: 116 76.339 2.293 0.719 0.670 0.913 0.643 CB 1.691 116 residues pruned to eliminate duplicates Z: 42 25.934 1.983 0.511 0.594 0.902 0.634 CB 1.370 42 residues pruned to eliminate duplicates Z: 40 25.050 2.011 0.333 0.629 0.923 0.718 CB 1.435 40 residues pruned to eliminate duplicates Z: 102 73.040 2.285 0.780 0.632 0.921 0.604 CB 1.714 102 residues pruned to eliminate duplicates Z: 15 20.124 2.137 0.330 0.662 1.000 0.643 CB 1.627 15 residues pruned to eliminate duplicates Z: 115 76.115 2.310 0.646 0.663 0.939 0.684 CB 1.718 115 residues pruned to eliminate duplicates Z: 35 27.669 2.067 0.428 0.652 0.971 0.647 CB 1.437 35 residues pruned to eliminate duplicates Z: 50 25.578 2.064 0.314 0.594 0.857 0.571 CB 1.437 50 residues pruned to eliminate duplicates Z: 39 24.910 2.028 0.330 0.623 0.895 0.658 CB 1.490 39 residues pruned to eliminate duplicates Z: 115 75.998 2.318 0.637 0.650 0.930 0.702 CB 1.754 115 residues pruned to eliminate duplicates Z: 40 25.158 2.040 0.351 0.610 0.897 0.590 CB 1.467 41 residues pruned to eliminate duplicates Z: 14 21.466 2.118 0.358 0.794 1.000 0.692 CA 1.601 14 residues pruned to eliminate duplicates Z: 29 23.548 2.016 0.358 0.645 0.964 0.607 CB 1.473 29 residues pruned to eliminate duplicates Z: 39 27.406 2.058 0.384 0.624 0.947 0.579 CB 1.465 39 residues pruned to eliminate duplicates Z: 13 17.248 2.097 0.239 0.812 0.917 0.667 CA 1.594 13 residues pruned to eliminate duplicates Z: 115 77.613 2.308 0.753 0.653 0.904 0.632 CB 1.724 115 residues pruned to eliminate duplicates Z: 115 80.522 2.325 0.718 0.640 0.947 0.623 CB 1.748 115 residues pruned to eliminate duplicates Z: 109 74.678 2.329 0.684 0.638 0.926 0.657 CB 1.739 109 residues pruned to eliminate duplicates Z: 115 80.571 2.313 0.712 0.665 0.939 0.649 CB 1.743 115 residues pruned to eliminate duplicates Z: 115 82.429 2.321 0.774 0.661 0.921 0.588 CB 1.754 115 residues pruned to eliminate duplicates Z: 21 34.382 2.359 1.017 0.602 0.900 0.750 CA 1.630 21 residues pruned to eliminate duplicates Z: 76 72.881 2.413 0.758 0.674 0.907 0.680 CB 1.863 76 residues pruned to eliminate duplicates Z: 75 87.484 2.470 0.915 0.705 0.932 0.676 CA 1.914 75 residues pruned to eliminate duplicates Z: 116 78.049 2.285 0.737 0.645 0.930 0.574 CB 1.721 98 residues pruned to eliminate duplicates Z: 15 37.395 2.404 1.171 0.893 1.000 0.786 CA 1.375 15 residues pruned to eliminate duplicates Z: 116 79.631 2.297 0.716 0.661 0.930 0.643 CB 1.744 116 residues pruned to eliminate duplicates Z: 81 75.448 2.381 0.757 0.642 0.963 0.637 CB 1.834 81 residues pruned to eliminate duplicates Z: 114 86.005 2.320 0.836 0.651 0.929 0.584 CB 1.776 114 residues pruned to eliminate duplicates Z: 115 80.323 2.303 0.762 0.653 0.930 0.640 CB 1.730 115 residues pruned to eliminate duplicates Z: 28 33.959 2.243 1.072 0.486 0.815 0.556 CA 1.750 28 residues pruned to eliminate duplicates Z: 19 38.531 2.375 1.308 0.663 0.889 0.444 CA 1.603 19 residues pruned to eliminate duplicates Z: 116 78.235 2.299 0.734 0.662 0.904 0.591 CB 1.742 116 residues pruned to eliminate duplicates Z: 73 83.786 2.481 0.826 0.700 0.958 0.792 CB 1.895 73 residues pruned to eliminate duplicates Z: 115 82.453 2.319 0.775 0.667 0.921 0.561 CB 1.746 115 residues pruned to eliminate duplicates Z: 115 78.314 2.322 0.772 0.634 0.904 0.561 CB 1.740 115 residues pruned to eliminate duplicates Z: 75 81.893 2.448 0.801 0.692 0.959 0.689 CA 1.888 75 residues pruned to eliminate duplicates Z: 115 81.876 2.316 0.774 0.651 0.947 0.640 CB 1.712 115 residues pruned to eliminate duplicates Z: 6 7.514 1.848 0.248 0.766 0.800 0.400 CA 1.439 6 residues pruned to eliminate duplicates Z: 76 89.499 2.460 1.037 0.668 0.933 0.680 CA 1.892 76 residues pruned to eliminate duplicates Z: 115 76.824 2.310 0.662 0.655 0.939 0.649 CB 1.729 115 residues pruned to eliminate duplicates Z: 115 77.579 2.309 0.742 0.660 0.904 0.675 CB 1.723 115 residues pruned to eliminate duplicates Z: 115 81.591 2.315 0.764 0.659 0.921 0.623 CB 1.752 115 residues pruned to eliminate duplicates Z: 112 83.447 2.323 0.749 0.662 0.955 0.649 CB 1.757 112 residues pruned to eliminate duplicates Z: 75 83.067 2.448 0.857 0.694 0.946 0.757 CB 1.880 75 residues pruned to eliminate duplicates Z: 52 78.585 2.426 0.971 0.756 0.961 0.706 CB 1.908 52 residues pruned to eliminate duplicates Z: 75 82.335 2.458 0.835 0.690 0.946 0.730 CA 1.885 75 residues pruned to eliminate duplicates Z: 115 77.595 2.309 0.751 0.638 0.904 0.675 CB 1.749 115 residues pruned to eliminate duplicates Z: 76 78.371 2.397 0.905 0.668 0.920 0.707 CA 1.846 76 residues pruned to eliminate duplicates Z: 116 82.351 2.304 0.753 0.666 0.930 0.643 CB 1.753 116 residues pruned to eliminate duplicates Z: 51 78.141 2.472 0.938 0.769 0.940 0.720 CB 1.934 51 residues pruned to eliminate duplicates Z: 115 80.364 2.295 0.749 0.655 0.930 0.623 CB 1.745 115 residues pruned to eliminate duplicates Z: 76 83.606 2.453 0.921 0.671 0.920 0.720 CB 1.901 76 residues pruned to eliminate duplicates Z: 115 79.149 2.313 0.754 0.649 0.930 0.640 CB 1.710 115 residues pruned to eliminate duplicates Z: 59 83.566 2.418 1.023 0.720 0.966 0.707 CB 1.904 59 residues pruned to eliminate duplicates Z: 114 79.639 2.329 0.711 0.649 0.929 0.673 CB 1.761 114 residues pruned to eliminate duplicates Z: 115 83.185 2.318 0.806 0.651 0.939 0.596 CB 1.722 115 residues pruned to eliminate duplicates Z: 22 58.199 2.450 1.070 0.889 1.000 0.810 CA 1.802 22 residues pruned to eliminate duplicates Z: 116 77.203 2.279 0.763 0.640 0.930 0.530 CB 1.688 116 residues pruned to eliminate duplicates Z: 116 80.253 2.310 0.761 0.661 0.913 0.626 CB 1.735 116 residues pruned to eliminate duplicates Z: 38 54.205 2.338 1.002 0.684 0.892 0.649 CA 1.803 38 residues pruned to eliminate duplicates Z: 41 47.541 2.308 0.850 0.617 0.875 0.650 CB 1.801 41 residues pruned to eliminate duplicates Z: 38 48.019 2.384 0.884 0.681 0.811 0.622 CB 1.835 38 residues pruned to eliminate duplicates Z: 75 88.328 2.425 0.978 0.676 0.973 0.568 CB 1.871 75 residues pruned to eliminate duplicates Z: 116 79.450 2.301 0.768 0.648 0.922 0.600 CB 1.722 116 residues pruned to eliminate duplicates Z: 110 78.070 2.303 0.709 0.652 0.945 0.642 CB 1.745 110 residues pruned to eliminate duplicates Z: 38 57.944 2.337 0.992 0.671 0.946 0.595 CB 1.848 38 residues pruned to eliminate duplicates Z: 76 86.464 2.456 0.946 0.693 0.920 0.600 CB 1.903 76 residues pruned to eliminate duplicates Z: 39 71.109 2.500 1.146 0.736 0.921 0.711 CB 1.888 39 residues pruned to eliminate duplicates Z: 116 80.288 2.299 0.723 0.665 0.948 0.617 CB 1.712 116 residues pruned to eliminate duplicates Z: 40 44.824 2.284 0.874 0.663 0.821 0.462 CB 1.758 40 residues pruned to eliminate duplicates Z: 115 84.992 2.299 0.837 0.671 0.930 0.632 CB 1.731 115 residues pruned to eliminate duplicates Z: 59 71.155 2.435 0.859 0.679 0.931 0.552 CB 1.880 59 residues pruned to eliminate duplicates Z: 70 85.763 2.477 0.979 0.683 0.942 0.551 CB 1.890 70 residues pruned to eliminate duplicates Z: 38 54.049 2.340 1.089 0.663 0.865 0.514 CB 1.807 38 residues pruned to eliminate duplicates Z: 116 83.265 2.299 0.861 0.645 0.913 0.565 CB 1.736 116 residues pruned to eliminate duplicates Z: 51 72.955 2.442 0.899 0.783 0.900 0.560 CB 1.926 51 residues pruned to eliminate duplicates Z: 36 51.448 2.291 1.138 0.716 0.857 0.571 CB 1.703 36 residues pruned to eliminate duplicates Z: 36 57.180 2.403 1.073 0.719 0.914 0.343 CB 1.741 36 residues pruned to eliminate duplicates Z: 50 84.327 2.476 1.045 0.777 0.980 0.531 CB 1.902 50 residues pruned to eliminate duplicates Z: 115 79.359 2.318 0.713 0.651 0.939 0.579 CB 1.732 115 residues pruned to eliminate duplicates Z: 43 73.923 2.425 1.113 0.754 0.952 0.476 CB 1.865 43 residues pruned to eliminate duplicates Z: 51 76.175 2.444 0.937 0.791 0.920 0.540 CB 1.917 51 residues pruned to eliminate duplicates Z: 116 78.073 2.270 0.861 0.647 0.896 0.643 CB 1.678 116 residues pruned to eliminate duplicates Z: 76 84.638 2.442 0.934 0.703 0.933 0.533 CB 1.843 76 residues pruned to eliminate duplicates Z: 115 81.462 2.301 0.806 0.664 0.912 0.605 CB 1.729 115 residues pruned to eliminate duplicates Z: 56 79.075 2.394 0.970 0.724 0.964 0.491 CB 1.917 56 residues pruned to eliminate duplicates Z: 51 86.460 2.468 1.028 0.769 1.000 0.460 CB 1.925 51 residues pruned to eliminate duplicates Z: 10 25.389 2.263 0.857 0.631 1.000 0.444 CB 1.780 10 residues pruned to eliminate duplicates Z: 75 90.427 2.458 1.009 0.694 0.932 0.568 CB 1.912 75 residues pruned to eliminate duplicates Z: 21 28.296 2.209 0.855 0.618 0.850 0.600 CB 1.624 21 residues pruned to eliminate duplicates Z: 10 27.675 2.323 1.068 0.593 1.000 0.556 CB 1.757 10 residues pruned to eliminate duplicates Z: 75 90.699 2.472 0.995 0.689 0.946 0.595 CB 1.901 75 residues pruned to eliminate duplicates Z: 32 31.586 1.920 0.585 0.814 1.000 0.645 CB 1.419 32 residues pruned to eliminate duplicates Z: 12 14.149 1.682 0.467 0.829 1.000 0.727 CB 1.301 11 residues pruned to eliminate duplicates Z: 10 16.096 1.895 0.497 0.875 1.000 0.778 CB 1.375 10 residues pruned to eliminate duplicates Z: 33 28.094 1.914 0.520 0.801 0.969 0.750 CB 1.355 33 residues pruned to eliminate duplicates Z: 32 31.641 1.929 0.660 0.836 1.000 0.774 CB 1.328 32 residues pruned to eliminate duplicates Z: 33 28.478 1.908 0.513 0.818 0.969 0.875 CB 1.366 33 residues pruned to eliminate duplicates Z: 33 23.447 1.849 0.536 0.723 0.938 0.750 CB 1.273 33 residues pruned to eliminate duplicates Z: 51 34.316 1.949 0.625 0.727 0.940 0.720 CB 1.329 52 residues pruned to eliminate duplicates Z: 12 16.136 1.897 0.534 0.704 1.000 0.545 CA 1.388 12 residues pruned to eliminate duplicates Z: 33 24.126 1.919 0.333 0.803 0.969 0.688 CB 1.321 33 residues pruned to eliminate duplicates Z: 33 30.159 1.920 0.548 0.818 1.000 0.688 CB 1.360 33 residues pruned to eliminate duplicates Z: 33 29.645 1.902 0.637 0.811 0.969 0.594 CB 1.325 33 residues pruned to eliminate duplicates Z: 32 31.587 1.936 0.613 0.842 0.968 0.710 CB 1.400 32 residues pruned to eliminate duplicates Z: 39 28.580 1.902 0.658 0.741 0.974 0.684 CB 1.217 39 residues pruned to eliminate duplicates Z: 48 33.258 1.913 0.729 0.768 0.915 0.574 CB 1.264 48 residues pruned to eliminate duplicates Z: 76 55.799 2.044 0.755 0.770 0.947 0.640 CB 1.494 140 residues pruned to eliminate duplicates Z: 37 24.551 1.916 0.770 0.669 0.833 0.667 CB 1.239 Z: 19 27.778 1.911 0.767 0.942 1.000 0.611 CB 1.345 17 residues pruned to eliminate duplicates Z: 21 34.570 1.928 1.072 0.955 1.000 0.500 CB 1.330 19 residues pruned to eliminate duplicates Z: 21 27.679 1.906 0.994 0.955 0.900 0.550 CB 1.243 21 residues pruned to eliminate duplicates Z: 17 21.961 1.903 0.877 0.886 0.875 0.500 CB 1.267 17 residues pruned to eliminate duplicates Z: 32 34.716 1.960 0.757 0.845 1.000 0.452 CB 1.346 21 residues pruned to eliminate duplicates Z: 19 21.877 1.851 0.775 0.916 0.889 0.556 CB 1.247 19 residues pruned to eliminate duplicates Z: 33 34.617 1.918 0.867 0.830 0.969 0.406 CB 1.326 33 residues pruned to eliminate duplicates Z: 20 32.438 1.896 1.212 0.931 1.000 0.263 CB 1.240 20 residues pruned to eliminate duplicates Z: 17 23.043 1.910 1.005 0.866 0.875 0.188 CB 1.259 17 residues pruned to eliminate duplicates Z: 32 34.038 1.957 0.872 0.842 0.968 0.419 CB 1.285 32 residues pruned to eliminate duplicates Z: 23 23.418 1.832 0.891 0.930 0.818 0.364 CB 1.232 23 residues pruned to eliminate duplicates Z: 33 32.229 1.905 1.004 0.813 0.906 0.406 CB 1.254 33 residues pruned to eliminate duplicates Z: 74 57.604 2.100 0.758 0.769 0.973 0.658 CB 1.480 126 residues pruned to eliminate duplicates Z: 73 61.931 2.142 0.812 0.791 0.944 0.528 CB 1.543 73 residues pruned to eliminate duplicates Z: 40 27.882 1.824 0.695 0.722 0.923 0.462 CB 1.280 Z: 20 16.028 1.827 0.728 0.699 0.842 0.316 CB 1.153 20 residues pruned to eliminate duplicates Z: 38 31.697 1.893 0.789 0.743 0.919 0.568 CB 1.348 40 residues pruned to eliminate duplicates Z: 50 58.007 2.227 0.786 0.818 1.000 0.755 CB 1.582 50 residues pruned to eliminate duplicates Z: 49 61.315 2.278 0.793 0.811 0.979 0.750 CB 1.687 49 residues pruned to eliminate duplicates Z: 50 59.962 2.255 0.759 0.804 1.000 0.755 CB 1.656 50 residues pruned to eliminate duplicates Z: 51 60.557 2.223 0.902 0.779 0.980 0.660 CB 1.616 51 residues pruned to eliminate duplicates Z: 42 53.719 2.256 0.982 0.723 0.902 0.561 CB 1.699 42 residues pruned to eliminate duplicates Z: 40 58.399 2.361 0.769 0.806 0.949 0.718 CB 1.806 40 residues pruned to eliminate duplicates Z: 37 51.399 2.261 0.842 0.776 0.972 0.694 CB 1.659 37 residues pruned to eliminate duplicates Z: 41 56.418 2.314 0.882 0.771 0.925 0.725 CB 1.742 41 residues pruned to eliminate duplicates Z: 30 42.368 2.245 0.999 0.686 0.931 0.414 CB 1.588 30 residues pruned to eliminate duplicates Z: 38 49.644 2.223 0.939 0.750 0.946 0.649 CB 1.601 38 residues pruned to eliminate duplicates Z: 51 54.374 2.206 0.827 0.758 0.980 0.700 CB 1.549 51 residues pruned to eliminate duplicates Z: 65 49.503 2.098 0.959 0.621 0.938 0.609 CB 1.432 65 residues pruned to eliminate duplicates Z: 50 57.908 2.247 0.800 0.819 0.959 0.755 CB 1.616 50 residues pruned to eliminate duplicates Z: 49 49.991 2.195 0.702 0.727 0.979 0.750 CB 1.608 49 residues pruned to eliminate duplicates Z: 52 57.520 2.204 0.939 0.802 0.941 0.667 CB 1.537 52 residues pruned to eliminate duplicates Z: 48 58.730 2.248 0.873 0.796 0.957 0.681 CB 1.640 48 residues pruned to eliminate duplicates Z: 50 61.249 2.247 0.857 0.817 0.980 0.694 CB 1.625 50 residues pruned to eliminate duplicates Z: 41 58.337 2.321 0.876 0.784 0.950 0.600 CB 1.737 41 residues pruned to eliminate duplicates Z: 51 57.633 2.234 0.850 0.798 0.940 0.580 CB 1.616 51 residues pruned to eliminate duplicates Z: 50 61.660 2.242 0.847 0.798 1.000 0.612 CB 1.639 50 residues pruned to eliminate duplicates Z: 46 47.642 2.176 0.901 0.680 0.933 0.644 CB 1.559 46 residues pruned to eliminate duplicates Z: 51 57.553 2.219 0.844 0.787 0.960 0.660 CB 1.609 51 residues pruned to eliminate duplicates Z: 48 60.169 2.255 0.946 0.812 0.957 0.745 CB 1.592 48 residues pruned to eliminate duplicates Z: 52 52.687 2.191 0.741 0.802 0.941 0.686 CB 1.579 52 residues pruned to eliminate duplicates Z: 50 59.381 2.230 0.899 0.797 0.980 0.612 CB 1.577 50 residues pruned to eliminate duplicates Z: 52 53.170 2.177 0.852 0.769 0.922 0.608 CB 1.579 52 residues pruned to eliminate duplicates Z: 52 59.097 2.224 0.888 0.771 0.961 0.765 CB 1.614 52 residues pruned to eliminate duplicates Z: 51 55.461 2.213 0.925 0.784 0.940 0.620 CB 1.525 51 residues pruned to eliminate duplicates Z: 51 57.393 2.227 0.830 0.796 0.960 0.540 CB 1.600 51 residues pruned to eliminate duplicates Z: 50 54.301 2.191 0.922 0.797 0.918 0.714 CB 1.547 50 residues pruned to eliminate duplicates Z: 51 62.181 2.235 0.931 0.807 0.980 0.700 CB 1.591 51 residues pruned to eliminate duplicates Z: 51 58.423 2.234 0.897 0.814 0.940 0.680 CB 1.578 51 residues pruned to eliminate duplicates Z: 51 58.859 2.213 0.821 0.815 0.980 0.680 CB 1.602 51 residues pruned to eliminate duplicates Z: 49 62.016 2.273 0.873 0.821 0.979 0.729 CB 1.626 49 residues pruned to eliminate duplicates Z: 51 63.687 2.251 0.948 0.806 0.980 0.640 CB 1.605 52 residues pruned to eliminate duplicates Z: 21 23.527 1.841 0.541 0.822 1.000 0.600 CA 1.402 21 residues pruned to eliminate duplicates Z: 51 62.181 2.235 0.848 0.814 1.000 0.660 CB 1.621 51 residues pruned to eliminate duplicates Z: 49 49.746 2.205 0.658 0.777 0.938 0.708 CB 1.641 49 residues pruned to eliminate duplicates Z: 50 57.694 2.238 0.794 0.810 0.959 0.796 CB 1.634 50 residues pruned to eliminate duplicates Z: 12 8.253 1.625 0.045 0.754 1.000 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 51 56.944 2.233 0.715 0.795 0.980 0.820 CB 1.657 51 residues pruned to eliminate duplicates Z: 49 64.886 2.272 0.854 0.824 1.000 0.812 CB 1.679 49 residues pruned to eliminate duplicates Z: 10 11.961 1.844 0.275 0.886 1.000 0.889 CB 1.223 10 residues pruned to eliminate duplicates Z: 50 54.736 2.239 0.707 0.806 0.959 0.837 CB 1.634 50 residues pruned to eliminate duplicates Z: 51 52.815 2.215 0.726 0.785 0.960 0.780 CB 1.584 51 residues pruned to eliminate duplicates Z: 14 15.944 1.865 0.653 0.702 1.000 0.769 CB 1.194 Z: 15 15.527 1.959 0.344 0.729 0.929 0.714 CB 1.381 11 residues pruned to eliminate duplicates Z: 12 15.072 2.038 0.422 0.739 0.909 0.636 CB 1.392 12 residues pruned to eliminate duplicates Z: 53 27.273 1.874 0.594 0.623 0.904 0.673 CB 1.247 71 residues pruned to eliminate duplicates Z: 21 11.810 1.861 0.599 0.498 0.750 0.650 CB 1.186 Z: 17 18.567 1.952 0.631 0.655 0.875 0.625 CB 1.442 21 residues pruned to eliminate duplicates Z: 14 15.900 1.978 0.518 0.686 0.923 0.769 CB 1.342 14 residues pruned to eliminate duplicates Z: 31 18.452 1.859 0.428 0.641 0.867 0.600 CB 1.283 17 residues pruned to eliminate duplicates Z: 16 15.309 2.015 0.483 0.648 0.800 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 32 20.568 1.847 0.491 0.651 0.903 0.710 CB 1.290 31 residues pruned to eliminate duplicates Z: 11 20.317 2.033 0.824 0.881 0.900 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 20 16.316 1.871 0.721 0.542 0.895 0.737 CB 1.247 20 residues pruned to eliminate duplicates Z: 33 23.667 1.830 0.627 0.655 0.938 0.719 CB 1.298 32 residues pruned to eliminate duplicates Z: 6 11.459 1.809 0.762 0.635 1.000 0.600 CB 1.416 6 residues pruned to eliminate duplicates Z: 31 21.581 1.871 0.522 0.650 0.933 0.733 CB 1.288 31 residues pruned to eliminate duplicates Z: 29 25.776 1.897 0.663 0.680 0.964 0.750 CB 1.357 32 residues pruned to eliminate duplicates Z: 15 15.244 1.778 0.351 0.780 1.000 0.857 CB 1.325 15 residues pruned to eliminate duplicates Z: 32 22.751 1.808 0.644 0.634 0.968 0.548 CB 1.253 32 residues pruned to eliminate duplicates Z: 78 35.918 1.897 0.622 0.694 0.909 0.584 CB 1.225 86 residues pruned to eliminate duplicates Z: 12 15.059 1.712 0.566 0.889 1.000 0.636 CB 1.220 12 residues pruned to eliminate duplicates Z: 31 24.332 1.888 0.604 0.669 0.967 0.633 CB 1.299 31 residues pruned to eliminate duplicates Z: 34 22.660 1.837 0.578 0.655 0.939 0.667 CB 1.254 34 residues pruned to eliminate duplicates Z: 63 41.298 1.897 0.727 0.740 0.984 0.597 CB 1.312 63 residues pruned to eliminate duplicates Z: 64 26.863 1.826 0.653 0.654 0.857 0.476 CB 1.134 64 residues pruned to eliminate duplicates Z: 33 23.213 1.850 0.675 0.671 0.938 0.594 CB 1.207 33 residues pruned to eliminate duplicates Z: 52 37.056 1.937 0.860 0.656 0.961 0.725 CB 1.297 52 residues pruned to eliminate duplicates Z: 49 25.542 1.921 0.528 0.632 0.875 0.417 CB 1.268 49 residues pruned to eliminate duplicates Z: 48 25.393 1.886 0.586 0.592 0.936 0.532 CB 1.211 48 residues pruned to eliminate duplicates Z: 50 28.257 1.935 0.481 0.627 0.980 0.510 CB 1.276 50 residues pruned to eliminate duplicates Z: 100 40.021 1.945 0.524 0.619 0.949 0.576 CB 1.277 100 residues pruned to eliminate duplicates Z: 28 17.098 1.969 0.282 0.661 0.963 0.556 CB 1.165 28 residues pruned to eliminate duplicates Z: 26 18.985 2.017 0.440 0.676 0.920 0.640 CB 1.209 26 residues pruned to eliminate duplicates Z: 60 28.539 1.919 0.532 0.656 0.864 0.593 CB 1.264 60 residues pruned to eliminate duplicates Z: 59 31.618 1.934 0.558 0.653 0.931 0.586 CB 1.284 59 residues pruned to eliminate duplicates Z: 17 13.706 2.047 0.454 0.599 0.875 0.562 CB 1.196 17 residues pruned to eliminate duplicates Z: 50 24.773 1.930 0.457 0.611 0.878 0.571 CB 1.291 50 residues pruned to eliminate duplicates Z: 26 17.197 2.023 0.240 0.714 0.920 0.680 CB 1.227 26 residues pruned to eliminate duplicates Z: 75 29.485 1.924 0.424 0.605 0.932 0.554 CB 1.214 75 residues pruned to eliminate duplicates Z: 18 17.836 2.101 0.429 0.764 0.941 0.765 CB 1.211 18 residues pruned to eliminate duplicates Z: 24 16.931 2.008 0.340 0.613 0.913 0.652 CB 1.291 24 residues pruned to eliminate duplicates Z: 26 17.995 2.016 0.324 0.653 0.920 0.520 CB 1.271 26 residues pruned to eliminate duplicates Z: 41 23.556 1.994 0.411 0.635 0.975 0.625 CB 1.196 41 residues pruned to eliminate duplicates Z: 47 21.868 1.870 0.461 0.562 0.891 0.630 CB 1.246 47 residues pruned to eliminate duplicates Z: 107 38.698 1.885 0.610 0.605 0.943 0.594 CB 1.187 107 residues pruned to eliminate duplicates Z: 66 27.924 1.917 0.466 0.606 0.892 0.508 CB 1.249 66 residues pruned to eliminate duplicates Z: 59 30.416 1.907 0.568 0.658 0.914 0.569 CB 1.262 59 residues pruned to eliminate duplicates Z: 60 31.095 1.918 0.595 0.645 0.932 0.492 CB 1.240 60 residues pruned to eliminate duplicates Z: 78 30.444 1.900 0.476 0.602 0.935 0.597 CB 1.201 78 residues pruned to eliminate duplicates Z: 76 31.840 1.914 0.511 0.619 0.960 0.467 CB 1.184 76 residues pruned to eliminate duplicates Z: 74 32.182 1.927 0.410 0.642 0.973 0.603 CB 1.248 74 residues pruned to eliminate duplicates Z: 27 15.964 1.993 0.288 0.643 0.923 0.500 CB 1.156 27 residues pruned to eliminate duplicates Z: 75 31.302 1.920 0.557 0.610 0.905 0.622 CB 1.211 75 residues pruned to eliminate duplicates Z: 95 38.737 1.960 0.539 0.604 0.947 0.606 CB 1.267 95 residues pruned to eliminate duplicates Z: 50 25.706 1.924 0.500 0.621 0.918 0.510 CB 1.235 50 residues pruned to eliminate duplicates Z: 109 42.439 1.917 0.601 0.682 0.944 0.556 CB 1.192 109 residues pruned to eliminate duplicates Z: 42 22.197 1.964 0.345 0.600 0.976 0.415 CB 1.223 42 residues pruned to eliminate duplicates Z: 42 20.975 1.980 0.348 0.600 0.902 0.561 CB 1.236 42 residues pruned to eliminate duplicates Z: 13 17.919 2.024 0.680 0.696 1.000 0.583 CB 1.272 13 residues pruned to eliminate duplicates Z: 67 30.844 2.007 0.502 0.598 0.939 0.606 CB 1.221 67 residues pruned to eliminate duplicates Z: 74 33.162 1.900 0.511 0.629 0.945 0.589 CB 1.267 74 residues pruned to eliminate duplicates Z: 35 19.039 2.001 0.272 0.612 0.971 0.588 CB 1.188 35 residues pruned to eliminate duplicates Z: 13 12.473 2.061 0.222 0.751 0.917 0.583 CB 1.247 13 residues pruned to eliminate duplicates Z: 29 16.589 1.929 0.252 0.636 0.964 0.571 CB 1.185 29 residues pruned to eliminate duplicates Z: 33 29.075 2.150 0.476 0.676 0.938 0.781 CB 1.470 33 residues pruned to eliminate duplicates Z: 33 28.680 2.129 0.482 0.697 0.969 0.750 CB 1.385 33 residues pruned to eliminate duplicates Z: 47 28.639 2.040 0.388 0.637 0.978 0.739 CB 1.341 47 residues pruned to eliminate duplicates Z: 15 11.163 1.972 0.252 0.680 1.000 0.500 CB 1.024 15 residues pruned to eliminate duplicates Z: 35 26.432 2.171 0.478 0.646 0.912 0.676 CB 1.352 35 residues pruned to eliminate duplicates Z: 36 17.841 2.037 0.258 0.609 0.943 0.543 CB 1.125 36 residues pruned to eliminate duplicates Z: 29 18.551 2.121 0.406 0.564 0.893 0.571 CB 1.238 29 residues pruned to eliminate duplicates Z: 17 15.442 2.062 0.528 0.605 0.938 0.375 CB 1.183 17 residues pruned to eliminate duplicates Z: 29 22.858 2.161 0.620 0.556 0.893 0.607 CB 1.310 29 residues pruned to eliminate duplicates Z: 24 23.148 2.261 0.650 0.605 0.870 0.565 CB 1.346 24 residues pruned to eliminate duplicates Z: 58 29.412 2.094 0.415 0.625 0.947 0.702 CB 1.234 58 residues pruned to eliminate duplicates Z: 37 24.493 2.067 0.439 0.628 0.944 0.639 CB 1.288 37 residues pruned to eliminate duplicates Z: 62 27.428 2.071 0.381 0.585 0.918 0.607 CB 1.232 62 residues pruned to eliminate duplicates Z: 21 21.767 2.103 0.608 0.663 0.850 0.750 CB 1.456 21 residues pruned to eliminate duplicates Z: 20 23.919 2.146 0.819 0.702 0.789 0.737 CB 1.481 20 residues pruned to eliminate duplicates Z: 21 25.788 2.111 0.817 0.646 0.950 0.800 CB 1.381 21 residues pruned to eliminate duplicates Z: 61 29.694 2.036 0.506 0.574 0.933 0.583 CB 1.248 61 residues pruned to eliminate duplicates Z: 33 29.074 2.160 0.617 0.659 0.875 0.719 CB 1.451 33 residues pruned to eliminate duplicates Z: 23 24.892 2.112 0.793 0.569 0.955 0.682 CB 1.373 23 residues pruned to eliminate duplicates Z: 23 26.745 2.125 0.873 0.586 0.955 0.682 CB 1.382 23 residues pruned to eliminate duplicates Z: 37 26.382 2.115 0.746 0.620 0.833 0.556 CB 1.276 37 residues pruned to eliminate duplicates Z: 37 29.195 2.069 0.684 0.646 0.944 0.528 CB 1.290 37 residues pruned to eliminate duplicates Z: 22 25.509 2.140 0.818 0.616 0.952 0.524 CB 1.347 22 residues pruned to eliminate duplicates Z: 37 28.490 2.086 0.817 0.619 0.889 0.472 CB 1.259 37 residues pruned to eliminate duplicates Z: 24 24.119 2.009 0.997 0.587 0.826 0.565 CB 1.396 24 residues pruned to eliminate duplicates Z: 19 30.937 2.174 1.098 0.745 0.889 0.778 CB 1.444 19 residues pruned to eliminate duplicates Z: 20 26.212 2.211 0.933 0.667 0.842 0.684 CB 1.432 20 residues pruned to eliminate duplicates Z: 64 47.884 2.107 0.612 0.746 0.984 0.762 CB 1.449 64 residues pruned to eliminate duplicates Z: 11 12.058 1.773 0.303 0.899 1.000 0.800 CB 1.179 11 residues pruned to eliminate duplicates Z: 67 50.741 2.075 0.741 0.730 0.985 0.712 CB 1.427 66 residues pruned to eliminate duplicates Z: 13 13.381 1.603 0.424 0.892 1.000 0.833 CB 1.215 13 residues pruned to eliminate duplicates Z: 66 44.155 2.080 0.583 0.739 0.985 0.754 CB 1.363 66 residues pruned to eliminate duplicates Z: 62 47.882 2.131 0.787 0.693 0.934 0.705 CB 1.445 64 residues pruned to eliminate duplicates Z: 10 12.705 1.713 0.543 0.866 1.000 0.556 CB 1.173 10 residues pruned to eliminate duplicates Z: 63 43.559 2.117 0.576 0.675 0.968 0.710 CB 1.459 63 residues pruned to eliminate duplicates Z: 64 47.105 2.128 0.634 0.729 0.968 0.810 CB 1.434 64 residues pruned to eliminate duplicates Z: 63 46.967 2.125 0.688 0.698 0.968 0.742 CB 1.435 63 residues pruned to eliminate duplicates Z: 23 40.435 2.328 0.740 0.893 1.000 0.818 CB 1.528 23 residues pruned to eliminate duplicates Z: 65 47.519 2.104 0.678 0.749 0.969 0.797 CB 1.391 65 residues pruned to eliminate duplicates Z: 62 41.090 2.120 0.545 0.688 0.967 0.738 CB 1.398 62 residues pruned to eliminate duplicates Z: 67 41.969 2.067 0.492 0.732 0.970 0.727 CB 1.402 67 residues pruned to eliminate duplicates Z: 87 51.361 2.071 0.649 0.686 0.965 0.547 CB 1.417 152 residues pruned to eliminate duplicates Z: 22 43.755 2.272 1.007 0.952 0.952 0.667 CB 1.514 Z: 22 44.483 2.364 0.969 0.918 0.952 0.619 CB 1.545 22 residues pruned to eliminate duplicates Z: 24 42.780 2.216 0.991 0.898 1.000 0.696 CB 1.446 22 residues pruned to eliminate duplicates Z: 22 51.509 2.371 1.101 0.933 1.000 0.476 CB 1.575 24 residues pruned to eliminate duplicates Z: 23 45.904 2.289 0.950 0.928 1.000 0.545 CB 1.536 22 residues pruned to eliminate duplicates Z: 22 47.267 2.347 1.095 0.940 0.952 0.571 CB 1.529 22 residues pruned to eliminate duplicates Z: 65 51.890 2.103 0.868 0.746 0.938 0.672 CB 1.414 23 residues pruned to eliminate duplicates Z: 22 48.561 2.345 1.189 0.931 0.952 0.571 CB 1.515 22 residues pruned to eliminate duplicates Z: 63 53.916 2.133 0.785 0.744 1.000 0.613 CB 1.446 63 residues pruned to eliminate duplicates Z: 22 47.932 2.366 1.170 0.938 0.952 0.524 CB 1.487 22 residues pruned to eliminate duplicates Z: 63 47.564 2.130 0.723 0.691 0.968 0.677 CB 1.428 63 residues pruned to eliminate duplicates Z: 21 51.071 2.373 1.247 0.938 0.950 0.400 CB 1.568 21 residues pruned to eliminate duplicates Z: 66 52.026 2.095 0.783 0.759 0.969 0.677 CB 1.415 66 residues pruned to eliminate duplicates Z: 23 58.839 2.338 1.357 0.950 1.000 0.500 CB 1.570 23 residues pruned to eliminate duplicates Z: 62 50.451 2.135 0.852 0.696 0.934 0.689 CB 1.462 62 residues pruned to eliminate duplicates Z: 65 52.853 2.108 0.789 0.742 0.984 0.641 CB 1.433 65 residues pruned to eliminate duplicates Z: 68 47.663 2.052 0.703 0.724 0.970 0.627 CB 1.404 68 residues pruned to eliminate duplicates Z: 66 51.981 2.102 0.806 0.750 0.954 0.692 CB 1.424 66 residues pruned to eliminate duplicates Z: 21 22.370 2.141 0.585 0.638 0.950 0.750 CB 1.363 21 residues pruned to eliminate duplicates Z: 63 50.769 2.135 0.787 0.701 0.968 0.629 CB 1.454 63 residues pruned to eliminate duplicates Z: 66 45.546 2.046 0.755 0.661 0.969 0.538 CB 1.398 66 residues pruned to eliminate duplicates Z: 69 50.589 2.049 0.779 0.741 0.971 0.574 CB 1.397 66 residues pruned to eliminate duplicates Z: 13 21.325 2.234 0.512 0.791 0.917 0.750 CB 1.541 13 residues pruned to eliminate duplicates Z: 63 45.531 2.130 0.699 0.689 0.952 0.645 CB 1.413 63 residues pruned to eliminate duplicates Z: 62 51.121 2.140 0.773 0.705 0.984 0.672 CB 1.456 65 residues pruned to eliminate duplicates Z: 18 25.237 2.190 0.600 0.692 0.941 0.647 CB 1.557 18 residues pruned to eliminate duplicates Z: 63 49.958 2.120 0.780 0.690 0.968 0.629 CB 1.461 62 residues pruned to eliminate duplicates Z: 19 24.477 2.159 0.548 0.667 1.000 0.722 CB 1.479 19 residues pruned to eliminate duplicates Z: 60 54.739 2.175 0.826 0.747 0.966 0.644 CB 1.490 60 residues pruned to eliminate duplicates Z: 66 48.523 2.065 0.772 0.679 0.969 0.585 CB 1.439 66 residues pruned to eliminate duplicates Z: 60 50.410 2.172 0.731 0.717 0.983 0.678 CB 1.458 60 residues pruned to eliminate duplicates Z: 68 52.501 2.056 0.821 0.736 0.985 0.612 CB 1.407 68 residues pruned to eliminate duplicates Z: 65 50.908 2.083 0.805 0.696 0.984 0.578 CB 1.437 64 residues pruned to eliminate duplicates Z: 6 4.020 1.854 0.387 0.350 0.600 0.400 CA 1.370 6 residues pruned to eliminate duplicates Z: 66 55.655 2.093 0.858 0.752 0.985 0.631 CB 1.440 67 residues pruned to eliminate duplicates Z: 21 22.782 2.124 0.552 0.642 0.950 0.800 CB 1.424 21 residues pruned to eliminate duplicates Z: 62 51.528 2.133 0.797 0.717 0.984 0.705 CB 1.437 62 residues pruned to eliminate duplicates Z: 58 52.992 2.126 0.834 0.754 1.000 0.544 CB 1.435 58 residues pruned to eliminate duplicates 363 residues left after pruning, divided into chains as follows: A: 183 B: 114 C: 66 CC for partial structure against native data = 40.42 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.509, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.575, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.692, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.700, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.712, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.717, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.722, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.725, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.728, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.730, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1851 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 425 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 63.293 2.491 1.206 0.918 0.950 0.700 CB 1.912 B: 21 64.451 2.533 1.168 0.929 0.950 0.800 CA 1.933 21 residues pruned to eliminate duplicates C: 20 66.826 2.575 1.172 0.907 1.000 0.526 CB 1.948 20 residues pruned to eliminate duplicates D: 21 61.356 2.492 1.087 0.915 1.000 0.350 CA 1.865 21 residues pruned to eliminate duplicates E: 20 63.487 2.571 1.033 0.929 1.000 0.632 CA 1.950 20 residues pruned to eliminate duplicates F: 13 20.356 2.283 0.428 0.767 0.833 0.583 CB 1.707 G: 21 58.812 2.491 1.117 0.905 0.950 0.800 CA 1.869 21 residues pruned to eliminate duplicates H: 20 66.835 2.561 1.209 0.932 1.000 0.579 CA 1.892 20 residues pruned to eliminate duplicates I: 20 57.030 2.547 0.893 0.897 1.000 0.684 CB 1.942 20 residues pruned to eliminate duplicates J: 13 29.336 2.161 0.639 0.914 0.917 0.833 O 1.845 K: 21 55.763 2.472 1.015 0.915 1.000 0.800 CA 1.770 21 residues pruned to eliminate duplicates L: 21 47.620 2.299 0.828 0.915 1.000 0.850 CA 1.790 M: 20 61.965 2.537 1.141 0.950 0.947 0.737 CA 1.905 20 residues pruned to eliminate duplicates N: 19 64.351 2.588 1.078 0.951 1.000 0.722 CA 1.944 19 residues pruned to eliminate duplicates O: 16 25.790 2.070 0.630 0.864 0.933 0.800 CB 1.550 P: 15 24.240 2.041 0.622 0.879 0.929 0.714 CB 1.528 15 residues pruned to eliminate duplicates Q: 15 45.155 2.458 1.239 0.865 1.000 0.786 CA 1.607 R: 21 49.805 2.475 0.922 0.892 0.900 0.700 CA 1.869 21 residues pruned to eliminate duplicates S: 20 63.900 2.586 1.027 0.922 1.000 0.842 CB 1.966 20 residues pruned to eliminate duplicates T: 21 56.540 2.516 1.057 0.901 0.950 0.750 CA 1.836 21 residues pruned to eliminate duplicates U: 14 45.495 2.470 1.211 0.870 1.000 0.846 CA 1.687 14 residues pruned to eliminate duplicates V: 16 33.627 2.312 0.897 0.826 1.000 0.733 CA 1.493 15 residues pruned to eliminate duplicates W: 21 68.243 2.539 1.253 0.936 1.000 0.900 CA 1.857 21 residues pruned to eliminate duplicates X: 15 20.592 2.353 0.310 0.828 0.786 0.643 CB 1.711 12 residues pruned to eliminate duplicates Y: 16 24.733 2.273 0.356 0.901 0.867 0.800 CB 1.707 16 residues pruned to eliminate duplicates Z: 22 54.112 2.412 1.067 0.891 1.000 0.667 CA 1.703 22 residues pruned to eliminate duplicates Z: 18 24.743 2.072 0.324 0.859 1.000 0.706 CB 1.610 18 residues pruned to eliminate duplicates Z: 20 70.343 2.572 1.256 0.916 1.000 0.737 CA 1.965 20 residues pruned to eliminate duplicates Z: 15 40.296 2.337 1.504 0.842 0.857 0.857 CA 1.601 15 residues pruned to eliminate duplicates Z: 14 23.680 2.002 0.558 0.876 0.923 0.846 CA 1.657 14 residues pruned to eliminate duplicates Z: 21 57.035 2.469 1.046 0.877 1.000 0.700 CB 1.833 21 residues pruned to eliminate duplicates Z: 14 28.596 2.160 0.651 0.852 1.000 0.692 CA 1.646 14 residues pruned to eliminate duplicates Z: 23 52.450 2.319 1.075 0.949 1.000 0.636 CB 1.603 Z: 14 19.725 2.095 0.292 0.814 1.000 0.692 CA 1.538 14 residues pruned to eliminate duplicates Z: 22 45.801 2.230 0.903 0.921 1.000 0.667 CA 1.657 21 residues pruned to eliminate duplicates Z: 6 10.204 1.891 0.396 0.744 1.000 0.400 C 1.389 Z: 18 27.453 2.083 0.571 0.786 0.941 0.706 CB 1.682 16 residues pruned to eliminate duplicates Z: 20 58.916 2.413 1.065 0.946 1.000 0.316 CA 1.875 21 residues pruned to eliminate duplicates Z: 13 27.493 2.239 0.555 0.862 1.000 0.667 CA 1.674 14 residues pruned to eliminate duplicates Z: 22 39.859 2.232 0.791 0.891 0.952 0.762 CA 1.643 22 residues pruned to eliminate duplicates Z: 14 47.547 2.511 1.414 0.886 0.923 0.769 CA 1.700 15 residues pruned to eliminate duplicates Z: 20 49.693 2.343 1.100 0.895 0.947 0.579 CA 1.753 20 residues pruned to eliminate duplicates Z: 23 40.159 2.232 1.090 0.902 0.955 0.500 CB 1.372 23 residues pruned to eliminate duplicates Z: 20 77.093 2.591 1.371 0.937 1.000 0.684 CB 2.004 20 residues pruned to eliminate duplicates Z: 15 43.331 2.435 1.361 0.872 0.929 0.857 CA 1.581 15 residues pruned to eliminate duplicates Z: 23 37.597 2.238 1.116 0.914 0.864 0.409 CB 1.387 23 residues pruned to eliminate duplicates Z: 17 31.409 2.208 0.563 0.882 0.938 0.875 CB 1.756 17 residues pruned to eliminate duplicates Z: 13 26.782 2.337 0.448 0.905 1.000 0.833 CB 1.626 Z: 22 41.218 2.329 1.079 0.942 0.857 0.476 CB 1.503 22 residues pruned to eliminate duplicates Z: 21 53.244 2.328 1.160 0.891 0.950 0.750 CA 1.791 21 residues pruned to eliminate duplicates Z: 12 22.607 2.127 0.445 0.859 1.000 0.636 CA 1.631 13 residues pruned to eliminate duplicates Z: 17 29.023 2.202 0.507 0.856 0.938 0.688 CB 1.721 17 residues pruned to eliminate duplicates Z: 14 43.435 2.491 1.074 0.916 1.000 0.846 CA 1.647 14 residues pruned to eliminate duplicates Z: 21 51.251 2.352 0.946 0.949 0.950 0.750 CA 1.820 21 residues pruned to eliminate duplicates Z: 15 32.354 2.207 0.992 0.862 1.000 0.786 CB 1.444 13 residues pruned to eliminate duplicates Z: 20 74.613 2.575 1.339 0.932 1.000 0.684 CA 1.984 20 residues pruned to eliminate duplicates Z: 31 28.245 2.133 0.525 0.638 0.900 0.667 CB 1.548 Z: 19 24.456 2.124 0.702 0.684 0.944 0.556 CB 1.426 19 residues pruned to eliminate duplicates Z: 23 37.310 2.253 1.011 0.876 0.955 0.273 CB 1.337 23 residues pruned to eliminate duplicates Z: 13 28.230 2.250 0.588 0.836 1.000 0.417 CA 1.707 13 residues pruned to eliminate duplicates Z: 9 8.748 1.548 0.312 0.853 1.000 0.875 CB 1.126 Z: 19 77.456 2.597 1.413 0.959 1.000 0.556 CB 1.997 19 residues pruned to eliminate duplicates Z: 15 19.571 2.015 0.337 0.837 0.929 0.714 CB 1.565 15 residues pruned to eliminate duplicates Z: 17 25.605 2.077 0.508 0.828 1.000 0.625 CB 1.539 15 residues pruned to eliminate duplicates Z: 22 41.382 2.256 0.815 0.928 0.905 0.762 CA 1.706 22 residues pruned to eliminate duplicates Z: 21 40.112 2.299 0.694 0.921 0.950 0.700 CA 1.706 21 residues pruned to eliminate duplicates Z: 16 22.066 2.051 0.490 0.842 1.000 0.733 CB 1.390 16 residues pruned to eliminate duplicates Z: 17 34.374 2.207 0.699 0.839 1.000 0.812 CA 1.712 17 residues pruned to eliminate duplicates Z: 16 23.093 2.065 0.532 0.761 1.000 0.800 CB 1.495 16 residues pruned to eliminate duplicates Z: 13 26.865 2.118 0.521 0.880 1.000 0.833 O 1.744 13 residues pruned to eliminate duplicates Z: 23 39.860 2.253 1.054 0.911 0.955 0.545 CB 1.363 23 residues pruned to eliminate duplicates Z: 16 25.927 2.248 0.333 0.885 0.933 0.667 CB 1.728 18 residues pruned to eliminate duplicates Z: 15 25.953 2.198 0.739 0.862 0.929 0.786 CB 1.435 15 residues pruned to eliminate duplicates Z: 19 18.760 2.101 0.472 0.595 0.833 0.611 CB 1.566 19 residues pruned to eliminate duplicates Z: 15 40.762 2.328 1.396 0.857 0.929 0.786 CA 1.550 15 residues pruned to eliminate duplicates Z: 21 47.372 2.316 0.850 0.938 1.000 0.800 CA 1.719 21 residues pruned to eliminate duplicates Z: 13 14.051 2.006 0.171 0.776 0.833 0.583 CB 1.624 13 residues pruned to eliminate duplicates Z: 21 50.840 2.312 1.034 0.925 0.950 0.700 CA 1.785 20 residues pruned to eliminate duplicates Z: 14 20.426 2.021 0.197 0.913 1.000 0.846 CA 1.658 14 residues pruned to eliminate duplicates Z: 15 32.890 2.342 0.574 0.797 1.000 0.786 CA 1.839 15 residues pruned to eliminate duplicates Z: 16 20.069 2.078 0.450 0.882 0.933 0.800 CB 1.333 16 residues pruned to eliminate duplicates Z: 18 23.448 2.204 0.609 0.694 0.882 0.588 CB 1.521 18 residues pruned to eliminate duplicates Z: 19 60.248 2.427 1.205 0.958 1.000 0.667 CB 1.820 20 residues pruned to eliminate duplicates Z: 22 40.268 2.312 0.851 0.934 0.952 0.810 CB 1.503 22 residues pruned to eliminate duplicates Z: 22 33.181 2.175 0.461 0.948 1.000 0.952 CA 1.574 22 residues pruned to eliminate duplicates Z: 11 20.162 2.179 0.452 0.895 0.900 0.800 CA 1.606 11 residues pruned to eliminate duplicates Z: 23 34.038 2.257 0.506 0.927 0.955 0.909 CB 1.568 23 residues pruned to eliminate duplicates Z: 23 42.115 2.248 1.103 0.915 0.955 0.636 CB 1.406 23 residues pruned to eliminate duplicates Z: 12 34.695 2.393 1.283 0.918 0.909 0.909 CB 1.485 15 residues pruned to eliminate duplicates Z: 14 41.619 2.516 0.978 0.896 1.000 0.769 CA 1.661 14 residues pruned to eliminate duplicates Z: 23 44.620 2.197 0.950 0.932 0.955 0.500 CA 1.625 23 residues pruned to eliminate duplicates Z: 11 15.336 1.818 0.558 0.842 0.900 0.700 CB 1.419 Z: 15 16.742 1.952 0.280 0.794 0.929 0.714 CA 1.491 Z: 6 8.462 1.862 0.089 0.867 1.000 0.800 CB 1.366 6 residues pruned to eliminate duplicates Z: 13 32.758 2.235 1.207 0.864 0.917 0.750 CB 1.533 13 residues pruned to eliminate duplicates Z: 21 54.490 2.319 1.016 0.941 1.000 0.600 CB 1.808 21 residues pruned to eliminate duplicates Z: 12 17.508 2.087 0.328 0.844 0.909 0.909 CB 1.558 Z: 17 18.933 2.163 0.284 0.779 0.812 0.625 CB 1.639 17 residues pruned to eliminate duplicates Z: 15 41.673 2.370 1.227 0.894 0.929 0.643 CB 1.630 15 residues pruned to eliminate duplicates Z: 21 50.952 2.356 1.119 0.935 0.900 0.600 CA 1.766 21 residues pruned to eliminate duplicates Z: 13 27.325 2.158 0.896 0.882 1.000 0.833 CB 1.396 13 residues pruned to eliminate duplicates Z: 21 56.082 2.428 1.278 0.859 0.950 0.400 CB 1.755 21 residues pruned to eliminate duplicates Z: 24 28.615 2.164 0.430 0.897 1.000 0.870 CB 1.381 24 residues pruned to eliminate duplicates Z: 21 38.967 2.294 0.712 0.930 0.950 0.800 CA 1.632 21 residues pruned to eliminate duplicates Z: 22 53.310 2.384 1.025 0.889 1.000 0.857 CA 1.734 22 residues pruned to eliminate duplicates Z: 17 29.938 2.133 0.849 0.862 0.875 0.500 CB 1.592 17 residues pruned to eliminate duplicates Z: 23 31.884 2.201 0.630 0.907 0.955 0.818 CB 1.410 23 residues pruned to eliminate duplicates Z: 17 40.495 2.220 1.200 0.832 0.875 0.625 CA 1.779 17 residues pruned to eliminate duplicates Z: 21 25.338 1.988 0.617 0.924 0.900 0.650 CB 1.376 Z: 12 17.010 1.753 0.546 0.913 1.000 1.000 CB 1.339 11 residues pruned to eliminate duplicates Z: 7 14.813 2.039 0.512 0.839 1.000 0.833 CA 1.466 Z: 10 11.669 2.039 0.335 0.699 0.889 0.444 CB 1.341 Z: 9 17.451 2.303 0.456 0.756 0.875 0.250 CB 1.674 9 residues pruned to eliminate duplicates Z: 14 20.672 2.079 0.484 0.856 1.000 0.923 CB 1.370 14 residues pruned to eliminate duplicates Z: 22 37.956 2.314 0.715 0.929 0.952 0.810 CB 1.534 22 residues pruned to eliminate duplicates Z: 18 27.939 2.051 0.715 0.859 0.882 0.588 CB 1.606 16 residues pruned to eliminate duplicates Z: 19 17.677 1.885 0.261 0.845 1.000 0.556 CB 1.304 7 residues pruned to eliminate duplicates Z: 12 14.539 1.874 0.509 0.859 0.909 0.909 CB 1.255 Z: 12 14.917 2.087 0.389 0.785 0.818 0.545 CB 1.476 12 residues pruned to eliminate duplicates Z: 20 73.215 2.596 1.235 0.943 1.000 0.632 CA 2.006 20 residues pruned to eliminate duplicates Z: 13 21.923 2.144 0.428 0.789 1.000 0.750 CB 1.604 12 residues pruned to eliminate duplicates Z: 22 36.805 2.280 0.629 0.913 0.905 0.667 CA 1.691 22 residues pruned to eliminate duplicates Z: 18 19.299 1.956 0.588 0.794 0.824 0.353 CB 1.415 18 residues pruned to eliminate duplicates Z: 14 24.512 2.296 0.433 0.828 0.923 0.769 CB 1.685 14 residues pruned to eliminate duplicates Z: 13 22.260 2.102 0.510 0.789 1.000 0.583 CB 1.571 13 residues pruned to eliminate duplicates Z: 24 36.566 2.180 0.906 0.922 0.913 0.478 CB 1.413 24 residues pruned to eliminate duplicates Z: 13 22.883 2.115 0.652 0.845 0.917 0.417 CB 1.534 13 residues pruned to eliminate duplicates Z: 21 50.351 2.333 1.070 0.902 0.950 0.650 CA 1.750 21 residues pruned to eliminate duplicates Z: 13 13.272 2.006 0.488 0.720 0.833 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 6 7.530 1.847 0.090 0.865 1.000 0.800 CB 1.225 8 residues pruned to eliminate duplicates Z: 18 17.978 1.823 0.699 0.790 0.882 0.529 CB 1.236 10 residues pruned to eliminate duplicates Z: 19 22.235 1.869 0.619 0.808 0.889 0.611 CB 1.489 20 residues pruned to eliminate duplicates Z: 16 18.770 2.241 0.171 0.804 0.867 0.533 CB 1.635 16 residues pruned to eliminate duplicates Z: 67 46.667 2.034 0.709 0.691 0.955 0.591 CB 1.454 68 residues pruned to eliminate duplicates Z: 16 32.452 2.173 0.667 0.913 1.000 0.733 CB 1.638 16 residues pruned to eliminate duplicates Z: 12 17.524 2.115 0.272 0.786 1.000 0.727 CA 1.527 12 residues pruned to eliminate duplicates Z: 12 20.847 2.011 0.660 0.874 0.909 0.818 CB 1.507 13 residues pruned to eliminate duplicates Z: 18 26.803 2.015 0.828 0.841 0.882 0.529 CB 1.492 18 residues pruned to eliminate duplicates Z: 11 16.149 1.794 0.395 0.905 1.000 0.900 CA 1.452 11 residues pruned to eliminate duplicates Z: 62 77.659 2.440 0.937 0.690 0.934 0.607 CB 1.892 60 residues pruned to eliminate duplicates Z: 40 58.685 2.357 0.896 0.798 0.923 0.667 CB 1.755 37 residues pruned to eliminate duplicates Z: 21 25.661 1.917 0.761 0.919 0.950 0.550 CB 1.261 20 residues pruned to eliminate duplicates Z: 60 38.874 2.127 0.554 0.616 0.881 0.593 CB 1.557 50 residues pruned to eliminate duplicates Z: 17 25.133 2.074 0.404 0.836 1.000 0.688 CA 1.614 17 residues pruned to eliminate duplicates Z: 11 19.224 1.827 0.565 0.903 1.000 0.700 CB 1.516 11 residues pruned to eliminate duplicates Z: 13 20.739 1.927 0.588 0.812 1.000 0.583 CB 1.492 12 residues pruned to eliminate duplicates Z: 9 11.761 1.818 0.655 0.723 0.875 0.750 CB 1.291 9 residues pruned to eliminate duplicates Z: 19 38.621 2.310 0.683 0.919 0.944 0.833 CA 1.748 19 residues pruned to eliminate duplicates Z: 12 18.435 2.093 0.273 0.793 1.000 0.727 CA 1.613 12 residues pruned to eliminate duplicates Z: 11 15.563 1.793 0.383 0.920 1.000 0.900 CB 1.397 11 residues pruned to eliminate duplicates Z: 13 12.554 2.019 0.160 0.802 0.917 0.667 CB 1.297 11 residues pruned to eliminate duplicates Z: 12 17.183 2.084 0.239 0.784 1.000 0.455 CB 1.563 12 residues pruned to eliminate duplicates Z: 17 27.196 2.101 0.433 0.866 1.000 0.688 CB 1.653 17 residues pruned to eliminate duplicates Z: 12 13.624 1.642 0.536 0.806 1.000 0.818 CB 1.246 Z: 12 12.272 1.658 0.462 0.911 1.000 0.909 CB 1.082 10 residues pruned to eliminate duplicates Z: 15 30.123 2.216 0.669 0.884 0.929 0.786 CA 1.695 15 residues pruned to eliminate duplicates Z: 16 29.186 2.186 0.434 0.917 1.000 0.867 CA 1.698 16 residues pruned to eliminate duplicates Z: 14 12.865 1.577 0.288 0.911 0.923 0.846 CB 1.349 Z: 16 31.748 2.190 0.772 0.879 0.867 0.533 CA 1.768 16 residues pruned to eliminate duplicates Z: 20 17.355 2.264 0.319 0.627 0.842 0.684 CB 1.405 20 residues pruned to eliminate duplicates Z: 18 21.588 2.023 0.547 0.776 0.882 0.471 CB 1.486 18 residues pruned to eliminate duplicates Z: 13 42.684 2.383 1.488 0.876 0.917 0.500 CA 1.647 13 residues pruned to eliminate duplicates Z: 15 33.773 2.182 1.158 0.872 0.929 0.571 CB 1.504 15 residues pruned to eliminate duplicates Z: 21 45.656 2.318 0.877 0.922 0.950 0.700 CA 1.736 21 residues pruned to eliminate duplicates Z: 11 18.331 1.813 0.511 0.914 1.000 1.000 CA 1.496 11 residues pruned to eliminate duplicates Z: 38 45.923 2.300 0.859 0.681 0.865 0.351 CB 1.729 38 residues pruned to eliminate duplicates Z: 12 10.467 1.677 0.051 0.933 1.000 0.909 CB 1.249 12 residues pruned to eliminate duplicates Z: 12 16.474 1.815 0.502 0.863 1.000 0.818 CB 1.337 13 residues pruned to eliminate duplicates Z: 12 11.296 1.693 0.056 0.935 1.000 1.000 CB 1.327 Z: 13 17.031 2.137 0.137 0.855 0.917 0.917 CB 1.630 13 residues pruned to eliminate duplicates Z: 40 54.093 2.335 0.867 0.785 0.923 0.667 CB 1.675 40 residues pruned to eliminate duplicates Z: 22 27.533 1.953 0.661 0.932 0.952 0.762 CB 1.358 22 residues pruned to eliminate duplicates Z: 15 23.602 2.212 0.378 0.874 1.000 0.929 CB 1.507 15 residues pruned to eliminate duplicates Z: 19 17.951 1.902 0.341 0.768 0.889 0.611 CB 1.472 19 residues pruned to eliminate duplicates Z: 18 21.093 1.949 0.464 0.818 0.941 0.647 CB 1.446 18 residues pruned to eliminate duplicates Z: 16 25.243 2.227 0.627 0.757 0.933 0.733 CB 1.533 16 residues pruned to eliminate duplicates Z: 14 10.393 1.933 0.064 0.739 0.846 0.769 CB 1.337 14 residues pruned to eliminate duplicates Z: 14 29.092 2.183 0.940 0.920 1.000 0.615 CB 1.341 14 residues pruned to eliminate duplicates Z: 13 16.401 2.016 0.523 0.795 0.917 0.583 CB 1.299 13 residues pruned to eliminate duplicates Z: 22 22.704 1.869 0.416 0.932 1.000 0.714 CB 1.308 22 residues pruned to eliminate duplicates Z: 73 59.333 2.188 0.850 0.729 0.944 0.597 CB 1.488 67 residues pruned to eliminate duplicates Z: 25 26.573 2.102 0.371 0.876 1.000 0.917 CB 1.368 25 residues pruned to eliminate duplicates Z: 22 38.357 2.320 0.801 0.897 0.952 0.667 CB 1.506 22 residues pruned to eliminate duplicates Z: 23 38.037 2.227 0.957 0.903 0.955 0.500 CB 1.389 23 residues pruned to eliminate duplicates Z: 63 25.035 1.900 0.337 0.619 0.887 0.613 CB 1.261 55 residues pruned to eliminate duplicates Z: 13 18.019 1.979 0.441 0.761 1.000 0.583 CB 1.446 13 residues pruned to eliminate duplicates Z: 20 41.149 2.273 1.005 0.865 0.895 0.579 CA 1.696 20 residues pruned to eliminate duplicates Z: 17 26.815 2.202 0.427 0.840 0.938 0.750 CB 1.699 17 residues pruned to eliminate duplicates Z: 14 18.785 2.102 0.134 0.833 1.000 0.692 CB 1.639 14 residues pruned to eliminate duplicates Z: 22 23.036 1.944 0.412 0.919 1.000 0.857 CB 1.292 21 residues pruned to eliminate duplicates Z: 13 19.367 2.060 0.588 0.784 1.000 0.500 CB 1.332 14 residues pruned to eliminate duplicates Z: 22 29.098 1.925 0.698 0.946 1.000 0.571 CB 1.344 22 residues pruned to eliminate duplicates Z: 17 25.696 1.941 0.823 0.921 1.000 0.812 CB 1.277 19 residues pruned to eliminate duplicates Z: 22 20.536 1.888 0.377 0.893 1.000 0.857 CB 1.238 20 residues pruned to eliminate duplicates Z: 16 28.360 2.096 0.761 0.864 0.933 0.667 CB 1.557 16 residues pruned to eliminate duplicates Z: 18 12.254 1.903 0.062 0.768 0.941 0.588 CB 1.232 18 residues pruned to eliminate duplicates Z: 17 18.313 2.022 0.444 0.779 0.812 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 17 20.974 2.159 0.452 0.742 0.875 0.750 CB 1.539 17 residues pruned to eliminate duplicates Z: 12 30.521 2.169 0.813 0.906 0.909 0.364 CA 1.831 12 residues pruned to eliminate duplicates Z: 13 17.131 1.953 0.465 0.775 1.000 0.750 CB 1.355 13 residues pruned to eliminate duplicates Z: 22 34.502 1.951 0.967 0.937 1.000 0.667 CB 1.366 23 residues pruned to eliminate duplicates Z: 10 18.000 2.047 0.644 0.906 1.000 0.667 CB 1.269 10 residues pruned to eliminate duplicates Z: 19 14.745 1.978 0.322 0.729 0.833 0.611 CB 1.297 18 residues pruned to eliminate duplicates Z: 26 19.860 2.038 0.500 0.574 0.880 0.680 CB 1.373 26 residues pruned to eliminate duplicates Z: 11 16.133 2.063 0.309 0.794 0.900 0.700 CB 1.622 11 residues pruned to eliminate duplicates Z: 12 20.678 1.790 0.874 0.922 1.000 0.455 CB 1.307 11 residues pruned to eliminate duplicates Z: 12 19.008 1.771 0.815 0.876 0.909 0.636 CB 1.424 12 residues pruned to eliminate duplicates Z: 13 14.511 1.686 0.342 0.906 1.000 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 40 22.344 2.049 0.519 0.566 0.897 0.590 CB 1.201 35 residues pruned to eliminate duplicates Z: 17 18.650 2.008 0.495 0.765 0.875 0.500 CB 1.403 17 residues pruned to eliminate duplicates Z: 18 25.808 2.170 0.536 0.667 1.000 0.647 CB 1.609 18 residues pruned to eliminate duplicates Z: 18 20.436 2.173 0.292 0.734 0.882 0.765 CB 1.622 18 residues pruned to eliminate duplicates Z: 74 60.534 2.195 0.820 0.739 0.932 0.726 CB 1.537 74 residues pruned to eliminate duplicates Z: 10 14.237 1.711 0.554 0.901 1.000 0.778 CB 1.274 11 residues pruned to eliminate duplicates Z: 9 16.661 2.073 0.273 0.904 1.000 0.750 CB 1.591 9 residues pruned to eliminate duplicates Z: 11 12.037 1.753 0.341 0.913 1.000 0.800 CB 1.146 11 residues pruned to eliminate duplicates Z: 11 15.413 1.747 0.671 0.928 1.000 1.000 CB 1.168 11 residues pruned to eliminate duplicates Z: 13 14.636 1.716 0.507 0.903 0.917 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 16 25.417 2.185 0.435 0.805 1.000 0.867 CB 1.602 16 residues pruned to eliminate duplicates Z: 12 20.998 2.122 0.642 0.783 0.909 0.364 CB 1.559 12 residues pruned to eliminate duplicates Z: 19 58.890 2.573 1.004 0.931 0.944 0.556 CA 1.992 19 residues pruned to eliminate duplicates Z: 75 81.864 2.440 0.855 0.700 0.932 0.635 CB 1.879 75 residues pruned to eliminate duplicates Z: 18 18.879 2.101 0.661 0.713 0.824 0.588 CB 1.314 18 residues pruned to eliminate duplicates Z: 13 19.898 2.143 0.204 0.839 1.000 0.917 CA 1.663 13 residues pruned to eliminate duplicates Z: 10 17.370 1.884 0.498 0.862 1.000 0.889 CB 1.507 10 residues pruned to eliminate duplicates Z: 22 25.079 2.191 0.168 0.928 1.000 0.905 CA 1.498 22 residues pruned to eliminate duplicates Z: 18 16.498 2.007 0.358 0.777 0.882 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 11 16.175 1.863 0.444 0.916 0.900 0.600 CB 1.491 11 residues pruned to eliminate duplicates Z: 8 12.175 2.170 0.744 0.698 0.714 0.429 CB 1.421 8 residues pruned to eliminate duplicates Z: 13 9.819 1.874 0.156 0.776 0.917 0.583 CB 1.118 13 residues pruned to eliminate duplicates Z: 23 26.170 1.872 0.677 0.935 0.955 0.455 CB 1.297 23 residues pruned to eliminate duplicates Z: 24 33.348 2.151 0.593 0.911 1.000 0.870 CB 1.438 24 residues pruned to eliminate duplicates Z: 11 21.979 1.857 0.781 0.912 1.000 0.800 CB 1.488 11 residues pruned to eliminate duplicates Z: 13 13.081 1.711 0.226 0.911 1.000 0.833 CB 1.276 13 residues pruned to eliminate duplicates Z: 16 14.975 1.985 0.273 0.735 0.933 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 17 24.892 2.093 0.465 0.838 0.938 0.625 CA 1.619 17 residues pruned to eliminate duplicates Z: 12 12.366 1.712 0.527 0.895 1.000 0.727 CB 1.022 12 residues pruned to eliminate duplicates Z: 22 18.191 1.866 0.179 0.909 0.952 0.810 CA 1.345 22 residues pruned to eliminate duplicates Z: 78 80.949 2.396 0.877 0.687 0.935 0.701 CA 1.848 78 residues pruned to eliminate duplicates Z: 15 26.757 2.112 0.619 0.883 0.929 0.714 CA 1.628 15 residues pruned to eliminate duplicates Z: 22 29.577 1.937 0.848 0.939 0.952 0.619 CB 1.315 22 residues pruned to eliminate duplicates Z: 14 34.064 2.448 0.771 0.891 1.000 0.846 CA 1.566 14 residues pruned to eliminate duplicates Z: 12 13.904 1.912 0.399 0.805 0.818 0.273 CB 1.468 12 residues pruned to eliminate duplicates Z: 12 20.754 2.048 0.576 0.826 1.000 0.636 CB 1.462 12 residues pruned to eliminate duplicates Z: 62 48.244 2.046 0.771 0.727 0.967 0.590 CB 1.437 62 residues pruned to eliminate duplicates Z: 9 11.727 1.949 0.367 0.740 0.875 0.625 CB 1.434 9 residues pruned to eliminate duplicates Z: 22 31.443 1.922 0.838 0.940 1.000 0.571 CB 1.349 22 residues pruned to eliminate duplicates Z: 13 15.767 1.710 0.486 0.888 1.000 0.833 CB 1.291 13 residues pruned to eliminate duplicates Z: 11 14.476 1.779 0.418 0.905 1.000 0.700 CB 1.292 12 residues pruned to eliminate duplicates Z: 14 11.122 1.787 0.195 0.798 0.923 0.769 CB 1.205 14 residues pruned to eliminate duplicates Z: 12 11.499 1.887 0.012 0.885 1.000 0.727 CB 1.311 12 residues pruned to eliminate duplicates Z: 11 8.793 1.857 0.381 0.753 0.800 0.800 CB 1.082 11 residues pruned to eliminate duplicates Z: 13 10.617 1.609 0.401 0.906 1.000 0.750 CB 0.967 13 residues pruned to eliminate duplicates Z: 20 76.865 2.582 1.394 0.947 1.000 0.579 CA 1.971 20 residues pruned to eliminate duplicates Z: 58 53.052 2.183 0.742 0.750 0.965 0.667 CB 1.531 59 residues pruned to eliminate duplicates Z: 59 37.574 2.107 0.509 0.623 0.914 0.655 CB 1.512 59 residues pruned to eliminate duplicates Z: 11 18.885 1.858 0.597 0.902 1.000 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 12 18.779 1.735 0.622 0.877 1.000 0.727 N 1.461 12 residues pruned to eliminate duplicates Z: 14 23.576 2.210 0.417 0.866 0.923 0.692 CA 1.656 14 residues pruned to eliminate duplicates Z: 9 11.654 1.864 0.250 0.839 1.000 0.750 CB 1.320 9 residues pruned to eliminate duplicates Z: 14 14.426 2.010 0.422 0.660 0.923 0.615 CB 1.307 14 residues pruned to eliminate duplicates Z: 18 18.719 1.974 0.367 0.796 1.000 0.765 CB 1.298 19 residues pruned to eliminate duplicates Z: 12 15.433 1.930 0.304 0.798 1.000 0.727 CA 1.424 12 residues pruned to eliminate duplicates Z: 11 18.222 1.768 0.811 0.889 1.000 0.300 CB 1.296 10 residues pruned to eliminate duplicates Z: 14 14.670 1.636 0.297 0.921 1.000 0.769 CB 1.350 13 residues pruned to eliminate duplicates Z: 22 33.701 2.187 0.666 0.879 0.952 0.810 CA 1.537 22 residues pruned to eliminate duplicates Z: 12 17.149 2.036 0.458 0.786 1.000 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 13 13.735 1.686 0.353 0.898 1.000 0.833 CB 1.244 13 residues pruned to eliminate duplicates Z: 18 13.554 1.949 0.052 0.760 1.000 0.647 CB 1.272 18 residues pruned to eliminate duplicates Z: 40 47.686 2.182 0.890 0.752 0.974 0.538 CB 1.518 40 residues pruned to eliminate duplicates Z: 22 26.626 1.885 0.839 0.931 0.952 0.571 CB 1.229 22 residues pruned to eliminate duplicates Z: 42 63.776 2.377 0.913 0.737 0.976 0.634 CB 1.816 42 residues pruned to eliminate duplicates Z: 15 32.715 2.289 0.685 0.844 0.929 0.714 CA 1.817 15 residues pruned to eliminate duplicates Z: 17 19.388 1.992 0.454 0.802 0.875 0.625 CB 1.469 17 residues pruned to eliminate duplicates Z: 12 23.163 2.234 0.191 0.897 1.000 0.818 O 1.879 12 residues pruned to eliminate duplicates Z: 18 25.057 1.891 0.802 0.923 0.941 0.824 CB 1.332 18 residues pruned to eliminate duplicates Z: 11 9.120 1.718 0.482 0.899 0.900 0.700 CB 0.899 11 residues pruned to eliminate duplicates Z: 17 25.649 1.993 0.893 0.941 0.938 0.188 CB 1.259 17 residues pruned to eliminate duplicates Z: 6 9.105 2.036 0.178 0.635 1.000 0.600 O 1.496 6 residues pruned to eliminate duplicates Z: 11 12.196 2.009 0.244 0.804 0.900 0.500 CB 1.315 11 residues pruned to eliminate duplicates Z: 22 44.996 2.241 0.935 0.926 0.952 0.762 CA 1.667 22 residues pruned to eliminate duplicates Z: 23 30.395 2.219 0.392 0.915 1.000 0.909 CB 1.482 23 residues pruned to eliminate duplicates Z: 22 29.871 1.897 0.817 0.920 1.000 0.571 CB 1.331 22 residues pruned to eliminate duplicates Z: 7 10.318 2.183 0.714 0.464 0.833 0.500 CB 1.402 7 residues pruned to eliminate duplicates Z: 6 3.523 1.278 0.373 0.455 1.000 0.800 C 0.940 Z: 13 10.267 1.608 0.076 0.906 1.000 0.750 CB 1.219 13 residues pruned to eliminate duplicates Z: 61 80.111 2.429 1.044 0.670 0.967 0.483 CB 1.841 61 residues pruned to eliminate duplicates Z: 13 16.234 1.740 0.730 0.921 1.000 0.833 CB 1.095 13 residues pruned to eliminate duplicates Z: 18 16.322 1.847 0.423 0.783 0.941 0.588 CB 1.248 17 residues pruned to eliminate duplicates Z: 7 10.681 1.781 0.624 0.650 1.000 0.333 CB 1.311 7 residues pruned to eliminate duplicates Z: 22 36.497 2.235 0.663 0.926 1.000 1.000 CB 1.502 22 residues pruned to eliminate duplicates Z: 13 17.054 1.680 0.818 0.923 1.000 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 14.507 1.693 0.309 0.930 1.000 0.917 CB 1.322 13 residues pruned to eliminate duplicates 7 1.830 1.335 0.372 0.368 1.000 0.500 N 0.470 ? Z: 11 12.432 1.696 0.307 0.919 1.000 0.700 CB 1.250 11 residues pruned to eliminate duplicates Z: 13 14.407 1.666 0.322 0.897 1.000 0.917 CB 1.352 13 residues pruned to eliminate duplicates Z: 12 13.347 1.745 0.498 0.848 0.909 0.727 CB 1.256 12 residues pruned to eliminate duplicates Z: 7 4.609 1.996 0.390 0.423 0.500 0.500 N 1.470 7 residues pruned to eliminate duplicates Z: 11 11.269 1.743 0.276 0.911 1.000 0.700 CB 1.135 11 residues pruned to eliminate duplicates Z: 20 48.233 2.479 0.961 0.884 0.947 0.632 CB 1.735 20 residues pruned to eliminate duplicates Z: 18 23.514 1.882 0.634 0.909 1.000 0.765 CB 1.316 18 residues pruned to eliminate duplicates Z: 10 15.339 1.873 0.558 0.877 1.000 0.889 CA 1.273 10 residues pruned to eliminate duplicates Z: 13 15.169 1.698 0.571 0.903 1.000 0.750 CB 1.170 13 residues pruned to eliminate duplicates Z: 12 14.849 1.751 0.628 0.864 0.909 0.818 CB 1.267 12 residues pruned to eliminate duplicates Z: 23 25.934 1.860 0.749 0.909 0.955 0.682 CB 1.265 23 residues pruned to eliminate duplicates Z: 10 14.647 1.820 0.454 0.906 1.000 1.000 CB 1.312 11 residues pruned to eliminate duplicates Z: 6 3.043 1.835 0.169 0.410 0.800 0.600 CB 0.871 6 residues pruned to eliminate duplicates Z: 17 33.249 2.215 0.744 0.831 1.000 0.688 CB 1.617 17 residues pruned to eliminate duplicates Z: 19 17.374 1.836 0.552 0.766 0.778 0.556 CB 1.459 19 residues pruned to eliminate duplicates Z: 14 15.688 2.043 0.216 0.729 0.923 0.538 CA 1.545 14 residues pruned to eliminate duplicates Z: 7 5.868 1.673 0.234 0.516 1.000 0.667 CB 1.142 Z: 14 11.992 1.465 0.602 0.862 0.923 0.538 CB 1.127 14 residues pruned to eliminate duplicates Z: 11 13.107 1.750 0.644 0.906 1.000 0.700 CB 1.025 11 residues pruned to eliminate duplicates Z: 6 2.123 1.748 0.159 0.301 0.600 0.600 CB 0.975 6 residues pruned to eliminate duplicates Z: 95 73.349 2.305 0.727 0.636 0.957 0.681 CB 1.747 103 residues pruned to eliminate duplicates Z: 16 14.315 1.927 0.403 0.795 0.933 0.667 CB 1.131 20 residues pruned to eliminate duplicates Z: 22 19.772 1.826 0.418 0.886 1.000 0.810 CB 1.202 22 residues pruned to eliminate duplicates Z: 8 8.964 1.802 0.347 0.743 1.000 0.857 CB 1.122 8 residues pruned to eliminate duplicates Z: 55 48.552 2.137 0.712 0.758 0.944 0.556 CB 1.519 55 residues pruned to eliminate duplicates Z: 23 32.632 1.920 0.911 0.925 1.000 0.727 CB 1.331 23 residues pruned to eliminate duplicates Z: 17 19.104 1.917 0.659 0.747 0.875 0.438 CB 1.376 16 residues pruned to eliminate duplicates Z: 49 41.683 2.164 0.741 0.693 0.896 0.646 CB 1.494 49 residues pruned to eliminate duplicates Z: 12 14.984 1.924 0.484 0.833 1.000 0.636 CB 1.187 12 residues pruned to eliminate duplicates Z: 14 16.696 1.763 0.653 0.832 1.000 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 25 24.430 2.111 0.221 0.925 1.000 0.917 CB 1.357 25 residues pruned to eliminate duplicates Z: 13 4.705 1.889 0.187 0.302 0.750 0.417 CB 1.007 13 residues pruned to eliminate duplicates Z: 26 20.550 2.024 0.471 0.504 0.960 0.680 CB 1.433 26 residues pruned to eliminate duplicates Z: 54 45.486 2.101 0.901 0.739 0.906 0.472 CB 1.395 54 residues pruned to eliminate duplicates Z: 24 28.285 1.933 0.704 0.863 1.000 0.783 CB 1.314 24 residues pruned to eliminate duplicates Z: 59 39.415 2.217 0.641 0.547 0.862 0.552 CB 1.576 59 residues pruned to eliminate duplicates Z: 16 20.608 2.113 0.620 0.708 0.867 0.400 CB 1.485 16 residues pruned to eliminate duplicates Z: 13 15.127 1.696 0.600 0.909 0.917 0.833 CB 1.246 13 residues pruned to eliminate duplicates Z: 14 18.656 2.005 0.412 0.748 1.000 0.615 CA 1.465 14 residues pruned to eliminate duplicates Z: 13 15.386 2.026 0.188 0.813 1.000 0.750 CA 1.406 13 residues pruned to eliminate duplicates Z: 11 9.860 2.055 0.710 0.197 0.900 0.400 CA 1.414 11 residues pruned to eliminate duplicates Z: 28 25.201 1.903 0.626 0.770 0.963 0.630 CB 1.281 28 residues pruned to eliminate duplicates Z: 30 28.801 1.976 0.576 0.666 1.000 0.552 CB 1.473 30 residues pruned to eliminate duplicates Z: 17 22.030 1.931 0.669 0.908 0.938 0.688 CB 1.294 17 residues pruned to eliminate duplicates Z: 10 15.484 1.711 0.877 0.933 1.000 1.000 CB 1.122 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 11.131 1.681 0.438 0.882 1.000 0.800 CB 1.053 11 residues pruned to eliminate duplicates Z: 11 13.398 1.710 0.556 0.904 1.000 0.900 CB 1.134 11 residues pruned to eliminate duplicates Z: 32 33.177 1.968 0.618 0.854 1.000 0.806 CB 1.382 32 residues pruned to eliminate duplicates Z: 10 15.679 1.819 0.557 0.911 1.000 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 12 13.445 1.670 0.500 0.881 1.000 0.818 CB 1.172 12 residues pruned to eliminate duplicates Z: 33 31.831 1.947 0.641 0.826 0.969 0.750 CB 1.370 33 residues pruned to eliminate duplicates Z: 13 11.844 1.650 0.449 0.733 0.917 0.667 CB 1.265 12 residues pruned to eliminate duplicates Z: 12 13.437 1.704 0.482 0.858 1.000 0.727 CB 1.181 12 residues pruned to eliminate duplicates Z: 13 13.370 1.789 0.365 0.723 1.000 0.833 CA 1.293 13 residues pruned to eliminate duplicates Z: 34 29.781 1.938 0.528 0.843 0.970 0.788 CB 1.344 34 residues pruned to eliminate duplicates Z: 62 31.693 1.918 0.544 0.714 0.918 0.689 CB 1.229 59 residues pruned to eliminate duplicates Z: 19 23.333 1.966 0.494 0.922 1.000 0.778 CB 1.316 19 residues pruned to eliminate duplicates Z: 33 32.787 1.941 0.632 0.831 1.000 0.781 CB 1.375 33 residues pruned to eliminate duplicates Z: 33 30.411 1.920 0.587 0.824 1.000 0.625 CB 1.332 33 residues pruned to eliminate duplicates Z: 42 26.549 1.897 0.593 0.656 0.927 0.561 CB 1.280 42 residues pruned to eliminate duplicates Z: 32 37.834 1.969 0.853 0.849 1.000 0.613 CB 1.380 32 residues pruned to eliminate duplicates Z: 34 29.926 1.922 0.703 0.812 0.939 0.606 CB 1.292 34 residues pruned to eliminate duplicates Z: 52 33.093 1.931 0.622 0.736 0.941 0.569 CB 1.272 52 residues pruned to eliminate duplicates Z: 34 32.058 1.929 0.769 0.834 0.970 0.576 CB 1.264 34 residues pruned to eliminate duplicates Z: 32 34.563 1.959 0.870 0.854 0.935 0.613 CB 1.337 32 residues pruned to eliminate duplicates Z: 32 36.055 1.978 0.808 0.855 1.000 0.516 CB 1.337 32 residues pruned to eliminate duplicates Z: 32 37.417 1.969 0.924 0.849 0.968 0.581 CB 1.359 33 residues pruned to eliminate duplicates Z: 23 34.780 1.930 1.006 0.940 1.000 0.318 CB 1.330 23 residues pruned to eliminate duplicates Z: 33 32.219 1.897 0.852 0.816 1.000 0.469 CB 1.232 33 residues pruned to eliminate duplicates Z: 33 33.892 1.938 0.867 0.828 0.969 0.375 CB 1.287 33 residues pruned to eliminate duplicates Z: 32 34.146 1.953 0.747 0.859 1.000 0.548 CB 1.323 32 residues pruned to eliminate duplicates Z: 17 29.155 1.947 1.055 0.944 1.000 0.500 CB 1.261 17 residues pruned to eliminate duplicates Z: 48 28.867 1.903 0.684 0.696 0.894 0.511 CB 1.230 48 residues pruned to eliminate duplicates Z: 35 33.135 1.867 0.835 0.818 0.971 0.588 CB 1.296 35 residues pruned to eliminate duplicates Z: 33 25.079 1.894 0.716 0.792 0.938 0.594 CB 1.126 33 residues pruned to eliminate duplicates Z: 47 27.175 1.837 0.573 0.733 0.913 0.652 CB 1.231 47 residues pruned to eliminate duplicates Z: 49 33.036 1.889 0.743 0.758 0.958 0.583 CB 1.201 49 residues pruned to eliminate duplicates Z: 49 33.238 1.917 0.747 0.752 0.938 0.604 CB 1.220 49 residues pruned to eliminate duplicates Z: 17 12.357 1.817 0.277 0.600 0.938 0.750 CB 1.292 17 residues pruned to eliminate duplicates Z: 46 34.438 1.919 0.700 0.797 0.956 0.689 CB 1.270 46 residues pruned to eliminate duplicates Z: 36 26.006 1.902 0.650 0.717 0.914 0.514 CB 1.259 36 residues pruned to eliminate duplicates Z: 63 33.951 1.879 0.623 0.708 0.919 0.581 CB 1.273 63 residues pruned to eliminate duplicates Z: 18 12.324 1.855 0.436 0.565 0.882 0.647 CB 1.194 18 residues pruned to eliminate duplicates Z: 58 33.378 1.929 0.596 0.696 0.930 0.526 CB 1.292 58 residues pruned to eliminate duplicates Z: 55 30.671 1.919 0.525 0.632 0.963 0.537 CB 1.308 55 residues pruned to eliminate duplicates Z: 52 32.915 1.892 0.702 0.697 0.941 0.627 CB 1.271 52 residues pruned to eliminate duplicates Z: 19 14.274 1.877 0.463 0.559 0.889 0.611 CB 1.302 19 residues pruned to eliminate duplicates Z: 63 38.178 1.901 0.674 0.735 0.952 0.581 CB 1.297 63 residues pruned to eliminate duplicates Z: 35 27.112 1.928 0.749 0.722 0.912 0.647 CB 1.237 35 residues pruned to eliminate duplicates Z: 31 22.076 1.868 0.484 0.659 1.000 0.700 CB 1.254 31 residues pruned to eliminate duplicates Z: 61 33.441 1.863 0.668 0.675 0.933 0.500 CB 1.267 61 residues pruned to eliminate duplicates Z: 15 9.513 1.891 0.279 0.413 0.857 0.357 CB 1.342 15 residues pruned to eliminate duplicates Z: 19 17.046 1.880 0.490 0.590 1.000 0.611 CB 1.315 19 residues pruned to eliminate duplicates Z: 17 17.780 1.936 0.376 0.679 1.000 0.750 CB 1.415 17 residues pruned to eliminate duplicates Z: 47 32.586 1.885 0.705 0.742 0.957 0.674 CB 1.259 47 residues pruned to eliminate duplicates Z: 62 36.563 1.903 0.649 0.750 0.934 0.607 CB 1.277 62 residues pruned to eliminate duplicates Z: 16 18.252 1.881 0.556 0.748 1.000 0.933 CB 1.290 16 residues pruned to eliminate duplicates Z: 54 29.278 1.929 0.601 0.616 0.943 0.660 CB 1.237 98 residues pruned to eliminate duplicates Z: 11 9.779 1.738 0.183 0.883 1.000 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 35 19.936 1.809 0.510 0.603 0.941 0.471 CB 1.205 35 residues pruned to eliminate duplicates Z: 54 33.770 1.967 0.616 0.631 0.962 0.623 CB 1.342 54 residues pruned to eliminate duplicates Z: 29 21.073 1.867 0.585 0.669 0.929 0.679 CB 1.240 29 residues pruned to eliminate duplicates Z: 30 24.454 1.853 0.662 0.680 0.966 0.655 CB 1.295 30 residues pruned to eliminate duplicates Z: 62 26.243 1.890 0.345 0.668 0.918 0.492 CB 1.233 62 residues pruned to eliminate duplicates Z: 50 31.591 1.871 0.805 0.742 0.898 0.531 CB 1.199 50 residues pruned to eliminate duplicates Z: 14 15.960 1.837 0.686 0.767 1.000 0.615 CB 1.128 14 residues pruned to eliminate duplicates Z: 59 27.528 1.883 0.427 0.662 0.897 0.621 CB 1.292 59 residues pruned to eliminate duplicates Z: 137 67.452 2.053 0.726 0.719 0.949 0.684 CB 1.411 137 residues pruned to eliminate duplicates Z: 67 36.052 1.860 0.769 0.746 0.909 0.545 CB 1.191 67 residues pruned to eliminate duplicates Z: 75 29.717 1.867 0.524 0.624 0.919 0.514 CB 1.176 75 residues pruned to eliminate duplicates Z: 27 18.192 1.991 0.315 0.672 0.923 0.462 CB 1.260 Z: 6 7.697 1.996 0.106 0.803 1.000 0.400 CB 1.197 8 residues pruned to eliminate duplicates Z: 8 6.677 1.698 0.361 0.755 0.714 0.571 CB 1.218 8 residues pruned to eliminate duplicates Z: 7 11.021 1.900 0.374 0.847 1.000 0.667 CB 1.280 7 residues pruned to eliminate duplicates Z: 27 19.800 1.994 0.402 0.724 0.923 0.500 CB 1.230 25 residues pruned to eliminate duplicates Z: 8 8.816 1.818 0.341 0.874 0.857 0.429 CB 1.161 8 residues pruned to eliminate duplicates Z: 61 29.109 1.901 0.483 0.623 0.917 0.633 CB 1.295 88 residues pruned to eliminate duplicates Z: 83 33.064 1.893 0.607 0.650 0.890 0.476 CB 1.172 83 residues pruned to eliminate duplicates Z: 27 17.020 1.975 0.270 0.689 0.885 0.462 CB 1.265 Z: 12 10.539 1.912 0.493 0.798 0.818 0.364 CB 1.048 12 residues pruned to eliminate duplicates Z: 41 21.735 1.889 0.474 0.633 0.850 0.525 CB 1.281 68 residues pruned to eliminate duplicates Z: 16 11.640 1.909 0.581 0.514 0.800 0.467 CB 1.228 Z: 19 19.675 1.926 0.479 0.723 0.944 0.444 CB 1.409 8 residues pruned to eliminate duplicates Z: 19 20.125 1.980 0.434 0.799 0.944 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 19 19.070 1.964 0.404 0.765 1.000 0.611 CB 1.289 19 residues pruned to eliminate duplicates Z: 12 11.078 1.888 0.090 0.833 1.000 0.818 CB 1.218 12 residues pruned to eliminate duplicates Z: 25 15.287 1.938 0.252 0.617 0.875 0.625 CB 1.315 25 residues pruned to eliminate duplicates Z: 31 15.349 1.913 0.434 0.573 0.867 0.600 CB 1.099 26 residues pruned to eliminate duplicates Z: 13 12.142 1.781 0.199 0.798 1.000 0.750 CB 1.264 18 residues pruned to eliminate duplicates Z: 17 13.380 1.933 0.237 0.800 0.875 0.562 CB 1.230 17 residues pruned to eliminate duplicates Z: 63 24.781 1.873 0.531 0.596 0.855 0.548 CB 1.171 90 residues pruned to eliminate duplicates Z: 28 13.468 1.873 0.220 0.677 0.852 0.667 CB 1.131 Z: 12 14.314 1.899 0.407 0.821 1.000 0.545 CB 1.222 14 residues pruned to eliminate duplicates Z: 13 15.757 1.927 0.292 0.821 1.000 0.667 CB 1.383 12 residues pruned to eliminate duplicates Z: 12 12.762 1.940 0.256 0.768 0.909 0.727 CB 1.370 12 residues pruned to eliminate duplicates Z: 19 19.693 1.989 0.423 0.742 1.000 0.611 CB 1.320 27 residues pruned to eliminate duplicates Z: 14 12.362 1.822 0.461 0.752 0.923 0.846 CB 1.115 13 residues pruned to eliminate duplicates Z: 14 14.841 1.940 0.503 0.774 0.923 0.231 CB 1.200 Z: 12 16.549 2.064 0.530 0.808 0.909 0.091 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 12.800 2.085 0.347 0.768 0.833 0.333 CB 1.245 13 residues pruned to eliminate duplicates Z: 15 12.716 1.879 0.589 0.628 0.857 0.357 CB 1.178 14 residues pruned to eliminate duplicates Z: 13 23.354 2.056 0.638 0.824 1.000 0.417 CB 1.512 15 residues pruned to eliminate duplicates Z: 12 14.937 2.080 0.468 0.794 0.818 0.182 CB 1.393 12 residues pruned to eliminate duplicates Z: 14 17.676 2.048 0.557 0.578 1.000 0.462 CB 1.426 14 residues pruned to eliminate duplicates Z: 69 33.471 1.938 0.523 0.660 0.941 0.559 CB 1.259 102 residues pruned to eliminate duplicates Z: 71 31.294 1.941 0.488 0.646 0.886 0.557 CB 1.276 71 residues pruned to eliminate duplicates Z: 14 10.850 1.981 0.200 0.737 0.923 0.231 CB 1.108 Z: 14 18.573 2.110 0.221 0.796 1.000 0.538 CA 1.542 14 residues pruned to eliminate duplicates Z: 12 16.604 2.110 0.286 0.800 1.000 0.818 CB 1.418 12 residues pruned to eliminate duplicates Z: 14 13.767 2.058 0.358 0.724 0.923 0.538 CB 1.209 14 residues pruned to eliminate duplicates Z: 54 22.396 2.020 0.231 0.610 0.925 0.623 CB 1.206 68 residues pruned to eliminate duplicates Z: 38 23.849 2.115 0.358 0.576 0.973 0.595 CB 1.304 38 residues pruned to eliminate duplicates Z: 32 26.969 2.151 0.588 0.631 0.968 0.645 CB 1.295 32 residues pruned to eliminate duplicates Z: 37 26.099 2.074 0.599 0.634 0.917 0.667 CB 1.262 37 residues pruned to eliminate duplicates Z: 43 25.575 2.048 0.581 0.558 0.905 0.595 CB 1.274 43 residues pruned to eliminate duplicates Z: 22 21.372 2.113 0.614 0.623 0.905 0.667 CB 1.346 22 residues pruned to eliminate duplicates Z: 39 24.429 2.057 0.491 0.605 0.974 0.684 CB 1.201 39 residues pruned to eliminate duplicates Z: 32 29.925 2.123 0.633 0.718 0.935 0.774 CB 1.361 32 residues pruned to eliminate duplicates Z: 18 26.790 2.291 0.609 0.706 0.941 0.824 CB 1.554 18 residues pruned to eliminate duplicates Z: 73 57.437 2.199 0.766 0.681 0.944 0.722 CB 1.563 73 residues pruned to eliminate duplicates Z: 49 30.737 2.016 0.571 0.639 0.938 0.604 CB 1.312 49 residues pruned to eliminate duplicates Z: 67 48.278 2.123 0.776 0.649 0.909 0.636 CB 1.508 67 residues pruned to eliminate duplicates Z: 77 55.488 2.190 0.706 0.708 0.934 0.711 CB 1.510 77 residues pruned to eliminate duplicates Z: 38 26.256 2.119 0.526 0.596 0.919 0.622 CB 1.326 38 residues pruned to eliminate duplicates Z: 20 29.988 2.170 0.921 0.675 0.947 0.789 CB 1.482 20 residues pruned to eliminate duplicates Z: 105 54.827 2.120 0.661 0.674 0.904 0.625 CB 1.439 105 residues pruned to eliminate duplicates Z: 68 30.115 2.037 0.535 0.572 0.910 0.612 CB 1.206 68 residues pruned to eliminate duplicates Z: 37 29.335 2.103 0.511 0.657 0.972 0.722 CB 1.368 37 residues pruned to eliminate duplicates Z: 23 24.187 2.119 0.695 0.604 0.909 0.636 CB 1.431 23 residues pruned to eliminate duplicates Z: 38 30.219 2.129 0.653 0.600 0.919 0.622 CB 1.396 38 residues pruned to eliminate duplicates Z: 74 53.482 2.172 0.685 0.708 0.918 0.712 CB 1.543 74 residues pruned to eliminate duplicates Z: 26 23.336 2.096 0.602 0.626 0.920 0.760 CB 1.342 26 residues pruned to eliminate duplicates Z: 62 50.531 2.183 0.865 0.642 0.934 0.623 CB 1.489 86 residues pruned to eliminate duplicates Z: 13 11.042 1.748 0.362 0.758 0.833 0.583 CB 1.277 13 residues pruned to eliminate duplicates Z: 100 56.140 2.148 0.660 0.685 0.909 0.616 CB 1.469 100 residues pruned to eliminate duplicates Z: 72 55.700 2.200 0.697 0.706 0.930 0.746 CB 1.579 72 residues pruned to eliminate duplicates Z: 77 54.268 2.182 0.654 0.696 0.947 0.750 CB 1.523 77 residues pruned to eliminate duplicates Z: 86 52.937 2.140 0.703 0.669 0.941 0.694 CB 1.433 86 residues pruned to eliminate duplicates Z: 54 50.996 2.223 0.680 0.737 0.943 0.679 CB 1.607 54 residues pruned to eliminate duplicates Z: 12 12.392 1.821 0.429 0.742 0.909 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 17 10.204 1.828 0.395 0.536 0.875 0.375 CB 1.104 17 residues pruned to eliminate duplicates Z: 149 58.733 2.061 0.615 0.651 0.926 0.574 CB 1.361 149 residues pruned to eliminate duplicates Z: 49 26.542 2.034 0.595 0.611 0.896 0.542 CB 1.187 49 residues pruned to eliminate duplicates Z: 56 48.364 2.179 0.646 0.728 0.945 0.636 CB 1.566 56 residues pruned to eliminate duplicates Z: 56 53.772 2.186 0.743 0.742 0.964 0.727 CB 1.590 51 residues pruned to eliminate duplicates Z: 32 39.798 2.174 0.568 0.851 0.968 0.710 CB 1.604 32 residues pruned to eliminate duplicates Z: 86 56.740 2.188 0.748 0.704 0.918 0.671 CB 1.456 86 residues pruned to eliminate duplicates Z: 71 55.552 2.204 0.761 0.674 0.943 0.643 CB 1.545 71 residues pruned to eliminate duplicates Z: 74 58.539 2.199 0.824 0.712 0.918 0.644 CB 1.535 56 residues pruned to eliminate duplicates Z: 20 54.447 2.318 1.176 0.934 0.947 0.632 CA 1.822 20 residues pruned to eliminate duplicates Z: 73 62.030 2.233 0.783 0.738 0.944 0.667 CB 1.570 73 residues pruned to eliminate duplicates Z: 21 47.690 2.330 0.949 0.893 0.950 0.600 CA 1.774 21 residues pruned to eliminate duplicates Z: 89 59.517 2.183 0.731 0.706 0.932 0.693 CB 1.494 89 residues pruned to eliminate duplicates Z: 75 50.942 2.150 0.778 0.671 0.932 0.622 CB 1.419 75 residues pruned to eliminate duplicates Z: 42 42.785 2.178 0.791 0.666 0.951 0.488 CB 1.545 42 residues pruned to eliminate duplicates Z: 75 50.537 2.161 0.693 0.663 0.946 0.622 CB 1.459 60 residues pruned to eliminate duplicates Z: 20 44.135 2.298 0.908 0.896 0.947 0.789 CB 1.747 20 residues pruned to eliminate duplicates Z: 73 63.404 2.213 0.903 0.739 0.931 0.708 CB 1.540 73 residues pruned to eliminate duplicates Z: 54 45.587 2.158 0.801 0.681 0.887 0.509 CB 1.537 54 residues pruned to eliminate duplicates Z: 93 47.919 2.089 0.633 0.626 0.924 0.598 CB 1.408 78 residues pruned to eliminate duplicates Z: 22 52.830 2.274 1.101 0.948 0.952 0.762 CA 1.751 22 residues pruned to eliminate duplicates Z: 54 56.194 2.237 0.836 0.752 0.962 0.660 CB 1.560 54 residues pruned to eliminate duplicates Z: 73 49.760 2.170 0.697 0.659 0.903 0.542 CB 1.522 73 residues pruned to eliminate duplicates Z: 72 57.004 2.172 0.841 0.682 0.930 0.606 CB 1.540 72 residues pruned to eliminate duplicates Z: 37 46.211 2.238 1.029 0.682 0.889 0.417 CB 1.614 37 residues pruned to eliminate duplicates Z: 88 62.057 2.203 0.769 0.707 0.943 0.598 CB 1.500 88 residues pruned to eliminate duplicates Z: 52 56.653 2.218 0.886 0.758 0.941 0.647 CB 1.602 52 residues pruned to eliminate duplicates Z: 77 46.984 2.157 0.670 0.649 0.908 0.632 CB 1.434 77 residues pruned to eliminate duplicates Z: 74 60.193 2.206 0.813 0.709 0.945 0.589 CB 1.541 74 residues pruned to eliminate duplicates Z: 89 60.105 2.179 0.788 0.703 0.920 0.636 CB 1.485 89 residues pruned to eliminate duplicates Z: 73 60.663 2.225 0.767 0.733 0.958 0.694 CB 1.539 73 residues pruned to eliminate duplicates Z: 56 54.315 2.175 0.825 0.741 0.964 0.636 CB 1.543 56 residues pruned to eliminate duplicates Z: 40 60.999 2.344 0.923 0.794 0.974 0.692 CB 1.720 40 residues pruned to eliminate duplicates Z: 55 54.151 2.200 0.878 0.751 0.926 0.722 CB 1.540 55 residues pruned to eliminate duplicates Z: 89 53.750 2.166 0.743 0.662 0.898 0.534 CB 1.455 89 residues pruned to eliminate duplicates Z: 88 58.558 2.213 0.725 0.713 0.908 0.655 CB 1.493 88 residues pruned to eliminate duplicates Z: 44 52.477 2.230 0.956 0.717 0.907 0.651 CB 1.662 44 residues pruned to eliminate duplicates Z: 51 58.150 2.240 0.819 0.808 0.940 0.600 CB 1.641 51 residues pruned to eliminate duplicates Z: 90 62.241 2.166 0.743 0.709 0.978 0.584 CB 1.478 90 residues pruned to eliminate duplicates Z: 95 54.696 2.101 0.740 0.659 0.926 0.606 CB 1.439 95 residues pruned to eliminate duplicates Z: 79 52.307 2.167 0.726 0.678 0.897 0.526 CB 1.498 79 residues pruned to eliminate duplicates Z: 56 52.700 2.195 0.737 0.748 0.964 0.564 CB 1.550 56 residues pruned to eliminate duplicates Z: 41 64.039 2.368 0.856 0.791 1.000 0.650 CB 1.785 41 residues pruned to eliminate duplicates Z: 76 48.067 2.195 0.583 0.601 0.893 0.533 CB 1.625 70 residues pruned to eliminate duplicates Z: 6 3.775 1.719 0.052 0.597 0.600 0.200 CB 1.418 5 residues pruned to eliminate duplicates Z: 23 18.985 1.929 0.527 0.681 0.818 0.455 CB 1.422 23 residues pruned to eliminate duplicates Z: 17 12.347 1.928 0.281 0.512 0.812 0.312 CB 1.521 17 residues pruned to eliminate duplicates Z: 22 17.484 1.978 0.284 0.733 0.857 0.476 CB 1.421 22 residues pruned to eliminate duplicates Z: 14 14.248 2.091 0.343 0.595 0.846 0.538 CB 1.519 14 residues pruned to eliminate duplicates Z: 16 11.813 1.969 0.216 0.512 0.800 0.333 CB 1.573 16 residues pruned to eliminate duplicates Z: 114 77.329 2.306 0.760 0.645 0.903 0.602 CB 1.734 115 residues pruned to eliminate duplicates Z: 19 19.625 1.917 0.440 0.775 0.889 0.611 CB 1.478 23 residues pruned to eliminate duplicates Z: 19 19.191 1.926 0.385 0.747 0.889 0.722 CB 1.530 19 residues pruned to eliminate duplicates Z: 40 20.588 1.996 0.214 0.610 0.872 0.564 CB 1.406 40 residues pruned to eliminate duplicates Z: 76 46.947 2.159 0.702 0.611 0.853 0.587 CB 1.556 76 residues pruned to eliminate duplicates Z: 115 74.157 2.304 0.646 0.644 0.912 0.623 CB 1.755 115 residues pruned to eliminate duplicates Z: 41 24.538 1.971 0.450 0.619 0.900 0.600 CB 1.348 37 residues pruned to eliminate duplicates Z: 17 14.851 1.813 0.439 0.747 0.938 0.562 CB 1.217 17 residues pruned to eliminate duplicates Z: 41 22.899 1.979 0.351 0.609 0.900 0.625 CB 1.357 40 residues pruned to eliminate duplicates Z: 18 21.005 1.954 0.476 0.781 0.941 0.647 CB 1.465 18 residues pruned to eliminate duplicates Z: 66 40.801 2.141 0.557 0.578 0.908 0.538 CB 1.552 66 residues pruned to eliminate duplicates Z: 39 23.478 2.038 0.320 0.626 0.868 0.632 CB 1.448 39 residues pruned to eliminate duplicates Z: 39 23.834 2.029 0.350 0.632 0.868 0.579 CB 1.436 39 residues pruned to eliminate duplicates Z: 40 22.333 2.018 0.337 0.614 0.872 0.564 CB 1.365 40 residues pruned to eliminate duplicates Z: 40 24.298 2.035 0.378 0.615 0.872 0.590 CB 1.427 40 residues pruned to eliminate duplicates Z: 36 22.312 1.988 0.447 0.573 0.886 0.486 CB 1.380 36 residues pruned to eliminate duplicates Z: 42 22.549 1.932 0.318 0.625 0.902 0.634 CB 1.363 42 residues pruned to eliminate duplicates Z: 15 17.062 2.080 0.180 0.677 1.000 0.571 CB 1.578 15 residues pruned to eliminate duplicates Z: 114 77.520 2.306 0.659 0.657 0.929 0.637 CB 1.774 114 residues pruned to eliminate duplicates Z: 114 76.490 2.300 0.683 0.657 0.920 0.708 CB 1.745 114 residues pruned to eliminate duplicates Z: 59 38.909 2.126 0.561 0.622 0.879 0.466 CB 1.560 59 residues pruned to eliminate duplicates Z: 14 19.592 2.065 0.381 0.784 1.000 0.692 CA 1.484 14 residues pruned to eliminate duplicates Z: 114 76.304 2.317 0.703 0.649 0.912 0.549 CB 1.736 114 residues pruned to eliminate duplicates Z: 42 23.439 1.966 0.297 0.640 0.878 0.585 CB 1.435 42 residues pruned to eliminate duplicates Z: 17 14.179 2.068 0.258 0.592 0.875 0.562 CB 1.426 17 residues pruned to eliminate duplicates Z: 40 22.431 2.009 0.273 0.635 0.872 0.667 CB 1.419 40 residues pruned to eliminate duplicates Z: 74 44.504 2.168 0.547 0.585 0.877 0.603 CB 1.633 74 residues pruned to eliminate duplicates Z: 115 73.132 2.302 0.676 0.641 0.895 0.553 CB 1.738 115 residues pruned to eliminate duplicates Z: 115 75.741 2.299 0.697 0.647 0.912 0.570 CB 1.737 115 residues pruned to eliminate duplicates Z: 116 81.047 2.283 0.733 0.669 0.948 0.600 CB 1.725 116 residues pruned to eliminate duplicates Z: 17 29.583 2.156 0.917 0.729 0.938 0.750 CA 1.553 17 residues pruned to eliminate duplicates Z: 77 79.531 2.397 0.896 0.691 0.921 0.671 CB 1.830 77 residues pruned to eliminate duplicates Z: 115 77.441 2.304 0.683 0.655 0.930 0.605 CB 1.742 115 residues pruned to eliminate duplicates Z: 62 73.178 2.448 0.924 0.658 0.934 0.672 CA 1.839 62 residues pruned to eliminate duplicates Z: 116 71.969 2.267 0.667 0.653 0.904 0.591 CB 1.704 116 residues pruned to eliminate duplicates Z: 58 41.286 2.149 0.629 0.619 0.895 0.596 CB 1.560 58 residues pruned to eliminate duplicates Z: 73 82.196 2.484 0.799 0.703 0.931 0.667 CB 1.935 73 residues pruned to eliminate duplicates Z: 75 86.416 2.440 0.861 0.704 0.973 0.676 CA 1.889 75 residues pruned to eliminate duplicates Z: 37 48.679 2.378 0.904 0.612 0.889 0.667 CB 1.813 37 residues pruned to eliminate duplicates Z: 116 75.919 2.284 0.671 0.654 0.930 0.661 CB 1.728 116 residues pruned to eliminate duplicates Z: 75 77.986 2.466 0.752 0.673 0.932 0.689 CB 1.918 75 residues pruned to eliminate duplicates Z: 76 83.689 2.443 0.900 0.675 0.947 0.733 CB 1.871 76 residues pruned to eliminate duplicates Z: 76 81.119 2.443 0.787 0.681 0.960 0.707 CB 1.893 76 residues pruned to eliminate duplicates Z: 77 76.333 2.404 0.844 0.660 0.934 0.645 CB 1.822 77 residues pruned to eliminate duplicates Z: 115 77.934 2.305 0.707 0.650 0.930 0.649 CB 1.734 115 residues pruned to eliminate duplicates Z: 115 75.678 2.294 0.666 0.640 0.930 0.623 CB 1.750 115 residues pruned to eliminate duplicates Z: 108 68.888 2.292 0.643 0.610 0.925 0.617 CB 1.723 108 residues pruned to eliminate duplicates Z: 76 81.436 2.438 0.838 0.675 0.947 0.667 CB 1.886 76 residues pruned to eliminate duplicates Z: 77 51.081 2.193 0.645 0.601 0.895 0.539 CB 1.649 78 residues pruned to eliminate duplicates Z: 13 26.259 2.239 0.668 0.824 0.833 0.667 CB 1.839 13 residues pruned to eliminate duplicates Z: 76 80.913 2.412 0.848 0.684 0.947 0.667 CB 1.870 76 residues pruned to eliminate duplicates Z: 76 74.204 2.429 0.726 0.661 0.933 0.693 CB 1.886 76 residues pruned to eliminate duplicates Z: 53 69.656 2.382 0.834 0.728 0.962 0.635 CB 1.873 53 residues pruned to eliminate duplicates Z: 115 78.418 2.283 0.734 0.665 0.930 0.640 CB 1.713 115 residues pruned to eliminate duplicates Z: 112 70.727 2.277 0.659 0.647 0.910 0.613 CB 1.702 112 residues pruned to eliminate duplicates Z: 93 76.487 2.355 0.845 0.648 0.902 0.609 CB 1.772 93 residues pruned to eliminate duplicates Z: 115 75.914 2.305 0.695 0.662 0.904 0.623 CB 1.733 115 residues pruned to eliminate duplicates Z: 75 85.241 2.446 0.927 0.697 0.932 0.649 CB 1.883 75 residues pruned to eliminate duplicates Z: 75 78.035 2.424 0.819 0.678 0.946 0.635 CB 1.846 75 residues pruned to eliminate duplicates Z: 114 74.926 2.302 0.700 0.642 0.912 0.566 CB 1.731 114 residues pruned to eliminate duplicates Z: 115 81.255 2.299 0.751 0.660 0.939 0.658 CB 1.737 115 residues pruned to eliminate duplicates Z: 51 71.198 2.447 0.803 0.751 0.960 0.720 CB 1.901 51 residues pruned to eliminate duplicates Z: 52 76.391 2.426 0.928 0.768 0.941 0.706 CA 1.917 52 residues pruned to eliminate duplicates Z: 115 69.425 2.247 0.697 0.652 0.877 0.649 CB 1.687 115 residues pruned to eliminate duplicates Z: 114 79.409 2.305 0.678 0.672 0.947 0.575 CB 1.740 114 residues pruned to eliminate duplicates Z: 115 76.272 2.300 0.734 0.645 0.912 0.570 CB 1.715 115 residues pruned to eliminate duplicates Z: 38 56.109 2.399 0.902 0.686 0.919 0.568 CB 1.855 38 residues pruned to eliminate duplicates Z: 112 61.322 2.197 0.701 0.607 0.865 0.505 CB 1.627 112 residues pruned to eliminate duplicates Z: 38 55.150 2.376 1.002 0.687 0.892 0.622 CB 1.801 38 residues pruned to eliminate duplicates Z: 51 77.794 2.425 1.005 0.751 0.960 0.500 CB 1.883 51 residues pruned to eliminate duplicates Z: 40 60.281 2.394 0.964 0.709 0.949 0.692 CB 1.790 33 residues pruned to eliminate duplicates Z: 19 70.346 2.623 1.200 0.948 1.000 0.722 CA 1.984 19 residues pruned to eliminate duplicates Z: 40 63.076 2.469 0.836 0.766 0.923 0.590 CB 1.906 40 residues pruned to eliminate duplicates Z: 36 57.391 2.408 0.855 0.714 0.971 0.657 CB 1.842 36 residues pruned to eliminate duplicates Z: 62 60.559 2.301 0.936 0.649 0.902 0.525 CB 1.681 201 residues pruned to eliminate duplicates Z: 20 74.562 2.582 1.306 0.931 1.000 0.474 CB 2.007 20 residues pruned to eliminate duplicates Z: 113 75.440 2.298 0.697 0.653 0.911 0.545 CB 1.741 113 residues pruned to eliminate duplicates Z: 76 86.460 2.438 0.986 0.674 0.933 0.667 CB 1.881 73 residues pruned to eliminate duplicates Z: 22 55.888 2.439 1.243 0.833 0.952 0.333 CB 1.756 22 residues pruned to eliminate duplicates Z: 115 74.967 2.286 0.669 0.635 0.939 0.553 CB 1.728 115 residues pruned to eliminate duplicates Z: 115 77.088 2.302 0.722 0.643 0.921 0.561 CB 1.731 115 residues pruned to eliminate duplicates Z: 38 55.843 2.380 0.946 0.707 0.919 0.541 CB 1.787 38 residues pruned to eliminate duplicates Z: 75 79.460 2.428 0.851 0.709 0.932 0.581 CB 1.823 75 residues pruned to eliminate duplicates Z: 52 60.779 2.390 0.776 0.738 0.902 0.529 CB 1.796 52 residues pruned to eliminate duplicates Z: 94 79.888 2.355 0.769 0.679 0.946 0.602 CB 1.782 94 residues pruned to eliminate duplicates Z: 16 23.171 2.230 0.383 0.839 0.867 0.733 CB 1.672 16 residues pruned to eliminate duplicates Z: 38 55.473 2.354 0.998 0.685 0.919 0.514 CB 1.780 38 residues pruned to eliminate duplicates Z: 103 78.256 2.334 0.789 0.654 0.922 0.598 CB 1.746 103 residues pruned to eliminate duplicates Z: 34 52.873 2.360 0.969 0.685 0.939 0.667 CB 1.780 34 residues pruned to eliminate duplicates Z: 37 48.219 2.339 0.824 0.675 0.917 0.583 CB 1.748 37 residues pruned to eliminate duplicates Z: 38 52.950 2.342 0.915 0.678 0.973 0.405 CB 1.694 38 residues pruned to eliminate duplicates Z: 51 74.801 2.456 0.949 0.756 0.920 0.460 CB 1.912 51 residues pruned to eliminate duplicates Z: 37 59.493 2.361 1.028 0.699 0.972 0.611 CB 1.777 37 residues pruned to eliminate duplicates Z: 52 70.887 2.429 0.961 0.732 0.922 0.569 CB 1.835 52 residues pruned to eliminate duplicates Z: 114 76.943 2.303 0.683 0.661 0.929 0.575 CB 1.731 114 residues pruned to eliminate duplicates Z: 75 84.064 2.442 0.960 0.689 0.946 0.554 CB 1.815 75 residues pruned to eliminate duplicates Z: 10 15.153 2.247 0.600 0.583 0.889 0.222 CB 1.460 Z: 16 20.780 2.244 0.323 0.781 0.867 0.600 CB 1.628 26 residues pruned to eliminate duplicates Z: 37 54.453 2.426 0.881 0.698 0.944 0.472 CB 1.757 37 residues pruned to eliminate duplicates Z: 68 44.582 2.098 0.536 0.713 0.970 0.731 CB 1.437 68 residues pruned to eliminate duplicates Z: 67 45.364 2.120 0.532 0.718 0.955 0.758 CB 1.479 67 residues pruned to eliminate duplicates Z: 54 48.302 2.182 0.662 0.734 0.981 0.774 CB 1.511 54 residues pruned to eliminate duplicates Z: 69 38.914 2.048 0.516 0.655 0.956 0.662 CB 1.377 69 residues pruned to eliminate duplicates Z: 65 41.753 2.112 0.499 0.672 0.953 0.750 CB 1.476 65 residues pruned to eliminate duplicates Z: 67 47.505 2.116 0.551 0.732 0.970 0.773 CB 1.492 67 residues pruned to eliminate duplicates Z: 67 47.714 2.142 0.547 0.732 0.955 0.727 CB 1.508 67 residues pruned to eliminate duplicates Z: 67 46.877 2.116 0.525 0.733 0.955 0.712 CB 1.520 67 residues pruned to eliminate duplicates Z: 67 53.282 2.144 0.677 0.734 0.970 0.742 CB 1.525 67 residues pruned to eliminate duplicates Z: 40 34.965 2.118 0.560 0.750 0.949 0.795 CB 1.429 40 residues pruned to eliminate duplicates Z: 67 49.154 2.133 0.594 0.735 0.970 0.727 CB 1.486 68 residues pruned to eliminate duplicates Z: 15 14.579 1.693 0.358 0.764 1.000 0.714 CB 1.341 15 residues pruned to eliminate duplicates Z: 36 38.176 2.115 0.522 0.866 1.000 0.743 CB 1.468 36 residues pruned to eliminate duplicates Z: 68 44.291 2.113 0.471 0.732 0.955 0.761 CB 1.479 67 residues pruned to eliminate duplicates Z: 23 31.245 2.218 0.539 0.909 1.000 0.864 CB 1.386 23 residues pruned to eliminate duplicates Z: 65 46.840 2.132 0.697 0.656 0.953 0.672 CB 1.469 65 residues pruned to eliminate duplicates Z: 67 49.663 2.122 0.701 0.722 0.939 0.682 CB 1.475 67 residues pruned to eliminate duplicates Z: 23 33.159 2.208 0.735 0.891 0.955 0.682 CB 1.390 23 residues pruned to eliminate duplicates Z: 69 48.549 2.089 0.627 0.735 0.971 0.750 CB 1.445 69 residues pruned to eliminate duplicates Z: 66 54.598 2.144 0.744 0.745 0.969 0.677 CB 1.502 67 residues pruned to eliminate duplicates Z: 22 41.801 2.351 0.956 0.930 0.905 0.810 CB 1.533 22 residues pruned to eliminate duplicates Z: 66 50.155 2.144 0.657 0.735 0.954 0.677 CB 1.487 66 residues pruned to eliminate duplicates Z: 67 54.130 2.129 0.811 0.721 0.970 0.621 CB 1.459 67 residues pruned to eliminate duplicates Z: 22 40.846 2.332 0.895 0.935 0.952 0.619 CB 1.476 22 residues pruned to eliminate duplicates Z: 68 51.302 2.112 0.748 0.717 0.910 0.657 CB 1.532 68 residues pruned to eliminate duplicates Z: 70 52.494 2.065 0.788 0.747 0.957 0.594 CB 1.435 70 residues pruned to eliminate duplicates Z: 68 48.922 2.120 0.669 0.724 0.940 0.612 CB 1.468 68 residues pruned to eliminate duplicates Z: 66 52.856 2.138 0.739 0.723 0.985 0.646 CB 1.464 66 residues pruned to eliminate duplicates Z: 65 46.616 2.126 0.676 0.666 0.953 0.656 CB 1.471 65 residues pruned to eliminate duplicates Z: 56 57.171 2.199 0.924 0.727 0.982 0.673 CB 1.512 56 residues pruned to eliminate duplicates Z: 22 48.760 2.361 1.185 0.935 0.952 0.333 CB 1.510 22 residues pruned to eliminate duplicates Z: 69 51.195 2.099 0.730 0.734 0.941 0.588 CB 1.473 69 residues pruned to eliminate duplicates Z: 69 49.547 2.088 0.731 0.738 0.912 0.632 CB 1.473 69 residues pruned to eliminate duplicates Z: 65 45.109 2.111 0.644 0.685 0.938 0.594 CB 1.462 65 residues pruned to eliminate duplicates Z: 71 48.255 2.053 0.713 0.711 0.943 0.557 CB 1.436 71 residues pruned to eliminate duplicates Z: 68 48.897 2.105 0.689 0.724 0.925 0.507 CB 1.482 68 residues pruned to eliminate duplicates Z: 68 54.712 2.119 0.734 0.736 0.985 0.672 CB 1.494 68 residues pruned to eliminate duplicates Z: 18 18.394 2.102 0.444 0.565 0.941 0.588 CB 1.467 18 residues pruned to eliminate duplicates Z: 67 48.425 2.115 0.635 0.737 0.955 0.591 CB 1.459 67 residues pruned to eliminate duplicates Z: 67 50.949 2.120 0.683 0.729 0.970 0.712 CB 1.475 67 residues pruned to eliminate duplicates Z: 68 47.555 2.108 0.746 0.724 0.866 0.597 CB 1.490 68 residues pruned to eliminate duplicates Z: 67 51.711 2.128 0.759 0.728 0.939 0.636 CB 1.474 67 residues pruned to eliminate duplicates Z: 69 46.469 2.072 0.631 0.708 0.926 0.544 CB 1.490 69 residues pruned to eliminate duplicates Z: 68 53.279 2.117 0.775 0.717 0.970 0.537 CB 1.467 68 residues pruned to eliminate duplicates Z: 68 49.700 2.103 0.752 0.719 0.925 0.612 CB 1.461 68 residues pruned to eliminate duplicates Z: 67 51.106 2.131 0.756 0.731 0.909 0.606 CB 1.503 67 residues pruned to eliminate duplicates Z: 68 47.255 2.114 0.619 0.726 0.940 0.582 CB 1.462 68 residues pruned to eliminate duplicates Z: 67 52.159 2.128 0.718 0.733 0.955 0.636 CB 1.492 67 residues pruned to eliminate duplicates Z: 67 53.002 2.116 0.742 0.736 0.955 0.561 CB 1.501 67 residues pruned to eliminate duplicates Z: 67 57.552 2.135 0.822 0.750 0.955 0.697 CB 1.526 67 residues pruned to eliminate duplicates Z: 18 24.340 2.165 0.558 0.659 0.941 0.765 CB 1.604 18 residues pruned to eliminate duplicates Z: 69 53.381 2.088 0.784 0.740 0.956 0.647 CB 1.467 69 residues pruned to eliminate duplicates Z: 65 52.937 2.127 0.804 0.694 0.969 0.578 CB 1.491 65 residues pruned to eliminate duplicates Z: 68 50.986 2.108 0.650 0.745 0.955 0.582 CB 1.506 68 residues pruned to eliminate duplicates Z: 67 57.713 2.129 0.787 0.762 0.985 0.682 CB 1.502 67 residues pruned to eliminate duplicates Z: 12 21.605 1.831 0.827 0.823 1.000 0.818 CB 1.472 12 residues pruned to eliminate duplicates Z: 11 18.594 1.823 0.589 0.876 1.000 0.900 CA 1.474 11 residues pruned to eliminate duplicates Z: 82 52.759 2.007 0.715 0.723 0.975 0.543 CB 1.427 82 residues pruned to eliminate duplicates Z: 66 55.455 2.140 0.739 0.769 0.985 0.615 CB 1.480 66 residues pruned to eliminate duplicates Z: 67 58.777 2.119 0.836 0.754 0.970 0.606 CB 1.529 67 residues pruned to eliminate duplicates Z: 67 59.101 2.125 0.846 0.745 0.985 0.515 CB 1.512 67 residues pruned to eliminate duplicates Z: 68 54.791 2.106 0.759 0.760 0.955 0.582 CB 1.502 68 residues pruned to eliminate duplicates Z: 68 53.562 2.101 0.740 0.754 0.955 0.582 CB 1.494 68 residues pruned to eliminate duplicates Z: 68 53.635 2.107 0.737 0.755 0.955 0.582 CB 1.493 68 residues pruned to eliminate duplicates 188 residues left after pruning, divided into chains as follows: A: 7 B: 114 C: 67 CC for partial structure against native data = 22.96 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.544, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.623, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 0.706, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.711, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.719, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.723, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.727, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 0.729, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.731, Connect. = 0.810 for dens.mod. cycle 9 = 0.300, Contrast = 0.731, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1938 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 425 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 64.657 2.495 1.261 0.869 1.000 0.619 CA 1.827 B: 22 61.660 2.458 1.330 0.910 0.952 0.762 CB 1.750 22 residues pruned to eliminate duplicates C: 21 68.382 2.557 1.334 0.920 1.000 0.500 CB 1.804 22 residues pruned to eliminate duplicates D: 20 69.987 2.624 1.195 0.919 1.000 0.789 CA 1.964 20 residues pruned to eliminate duplicates E: 20 76.384 2.626 1.368 0.910 1.000 0.632 CB 1.999 20 residues pruned to eliminate duplicates F: 20 67.334 2.624 1.274 0.891 0.947 0.684 CB 1.965 20 residues pruned to eliminate duplicates G: 21 63.778 2.561 1.030 0.921 1.000 0.700 CA 1.931 21 residues pruned to eliminate duplicates H: 6 11.744 2.148 0.486 0.723 1.000 0.600 CA 1.345 I: 16 26.455 2.334 0.208 0.880 1.000 0.600 CB 1.755 J: 20 61.338 2.590 1.173 0.889 0.947 0.526 CB 1.900 20 residues pruned to eliminate duplicates K: 13 28.966 2.304 0.360 0.863 1.000 0.750 O 1.957 L: 21 63.748 2.543 1.148 0.908 1.000 0.750 CB 1.853 21 residues pruned to eliminate duplicates M: 15 30.916 2.429 0.369 0.852 1.000 0.786 CA 1.838 16 residues pruned to eliminate duplicates N: 14 43.248 2.549 1.052 0.886 0.923 0.769 CA 1.792 O: 15 40.404 2.450 0.998 0.861 1.000 0.857 CA 1.620 14 residues pruned to eliminate duplicates P: 13 33.799 2.360 0.571 0.842 1.000 0.583 CB 1.961 13 residues pruned to eliminate duplicates Q: 20 78.020 2.623 1.408 0.926 1.000 0.684 CB 1.987 20 residues pruned to eliminate duplicates R: 16 43.776 2.355 1.308 0.838 1.000 0.867 CA 1.554 15 residues pruned to eliminate duplicates S: 16 29.954 2.324 0.487 0.870 0.933 0.667 CB 1.750 16 residues pruned to eliminate duplicates T: 20 74.767 2.627 1.315 0.919 1.000 0.737 CB 1.988 20 residues pruned to eliminate duplicates U: 11 26.458 2.444 0.427 0.843 1.000 0.800 CB 1.787 11 residues pruned to eliminate duplicates V: 15 38.812 2.315 1.293 0.865 0.929 0.786 CA 1.542 15 residues pruned to eliminate duplicates W: 20 62.802 2.557 1.061 0.948 1.000 0.737 CB 1.889 20 residues pruned to eliminate duplicates X: 14 25.299 2.297 0.383 0.871 0.923 0.538 CB 1.745 14 residues pruned to eliminate duplicates Y: 21 72.633 2.537 1.517 0.927 0.950 0.650 CB 1.876 21 residues pruned to eliminate duplicates Z: 20 76.755 2.617 1.382 0.926 1.000 0.737 CA 1.981 20 residues pruned to eliminate duplicates Z: 13 28.092 2.306 0.466 0.809 1.000 0.750 CA 1.832 12 residues pruned to eliminate duplicates Z: 12 22.948 2.321 0.407 0.844 0.909 0.636 CA 1.734 12 residues pruned to eliminate duplicates Z: 13 25.800 2.243 0.540 0.848 0.833 0.833 O 1.920 13 residues pruned to eliminate duplicates Z: 18 20.694 2.263 0.447 0.660 0.824 0.706 CB 1.603 Z: 23 41.066 2.327 0.943 0.908 0.955 0.500 CB 1.441 Z: 20 63.707 2.594 1.062 0.894 1.000 0.316 CB 1.960 20 residues pruned to eliminate duplicates Z: 21 54.603 2.484 0.891 0.914 1.000 0.800 CA 1.838 21 residues pruned to eliminate duplicates Z: 12 39.646 2.379 0.817 0.902 1.000 0.545 CB 1.973 14 residues pruned to eliminate duplicates Z: 23 33.329 2.288 0.954 0.890 0.818 0.500 CB 1.398 23 residues pruned to eliminate duplicates Z: 22 57.610 2.547 1.075 0.887 0.952 0.810 CA 1.801 22 residues pruned to eliminate duplicates Z: 21 54.388 2.429 1.107 0.881 0.950 0.450 CB 1.811 21 residues pruned to eliminate duplicates Z: 20 67.401 2.575 1.221 0.941 1.000 0.316 CB 1.876 20 residues pruned to eliminate duplicates Z: 23 37.639 2.375 0.731 0.892 0.955 0.409 CB 1.470 22 residues pruned to eliminate duplicates Z: 11 14.164 2.229 0.549 0.745 0.700 0.300 CB 1.488 11 residues pruned to eliminate duplicates Z: 12 27.360 2.318 0.963 0.818 0.909 0.455 CB 1.512 12 residues pruned to eliminate duplicates Z: 15 33.384 2.440 0.891 0.887 1.000 0.857 CA 1.394 15 residues pruned to eliminate duplicates Z: 18 21.464 2.141 0.516 0.807 0.882 0.706 CB 1.391 Z: 13 29.214 2.214 0.741 0.891 0.833 0.667 O 1.887 13 residues pruned to eliminate duplicates Z: 17 24.765 2.239 0.486 0.730 0.938 0.625 CB 1.613 18 residues pruned to eliminate duplicates Z: 14 35.848 2.418 0.852 0.881 0.923 0.692 CA 1.741 14 residues pruned to eliminate duplicates Z: 18 23.686 2.128 0.398 0.833 0.882 0.588 CB 1.642 16 residues pruned to eliminate duplicates Z: 22 60.628 2.480 1.201 0.880 0.952 0.667 CA 1.845 22 residues pruned to eliminate duplicates Z: 13 20.554 2.111 0.357 0.815 0.833 0.750 CA 1.890 13 residues pruned to eliminate duplicates Z: 15 32.861 2.430 0.657 0.881 0.929 0.929 CA 1.701 15 residues pruned to eliminate duplicates Z: 21 48.433 2.430 1.060 0.932 0.950 0.700 CB 1.590 22 residues pruned to eliminate duplicates Z: 22 41.750 2.384 0.782 0.923 1.000 0.524 CB 1.507 23 residues pruned to eliminate duplicates Z: 13 25.061 2.492 0.211 0.887 0.917 0.750 CA 1.885 13 residues pruned to eliminate duplicates Z: 7 7.235 1.764 0.220 0.851 0.833 0.667 CB 1.219 Z: 15 36.448 2.436 0.932 0.849 1.000 0.786 CA 1.534 15 residues pruned to eliminate duplicates Z: 19 22.023 2.261 0.422 0.603 0.889 0.667 CB 1.647 19 residues pruned to eliminate duplicates Z: 11 35.768 2.529 0.818 0.821 1.000 0.700 CA 1.863 11 residues pruned to eliminate duplicates Z: 24 26.501 2.208 0.277 0.896 1.000 0.783 CB 1.404 24 residues pruned to eliminate duplicates Z: 16 41.050 2.346 1.235 0.869 0.933 0.600 CA 1.581 16 residues pruned to eliminate duplicates Z: 15 24.165 2.374 0.462 0.734 1.000 0.857 CB 1.507 16 residues pruned to eliminate duplicates Z: 23 40.106 2.370 0.710 0.933 0.955 0.682 CB 1.542 23 residues pruned to eliminate duplicates Z: 23 40.805 2.334 1.022 0.899 0.909 0.591 CB 1.449 23 residues pruned to eliminate duplicates Z: 16 24.940 2.283 0.405 0.861 0.867 0.600 CB 1.702 16 residues pruned to eliminate duplicates Z: 10 13.338 2.055 0.379 0.908 1.000 0.889 CB 1.115 Z: 18 25.744 2.126 0.511 0.871 0.882 0.647 CB 1.606 18 residues pruned to eliminate duplicates Z: 14 22.090 2.153 0.393 0.788 1.000 0.615 CB 1.586 Z: 12 18.188 2.199 0.289 0.836 1.000 1.000 CB 1.449 12 residues pruned to eliminate duplicates Z: 6 5.545 1.764 0.107 0.827 0.800 0.800 CB 1.196 6 residues pruned to eliminate duplicates Z: 19 16.517 2.107 0.163 0.756 0.889 0.500 CB 1.423 18 residues pruned to eliminate duplicates Z: 25 32.251 2.184 0.592 0.878 0.958 0.917 CA 1.435 25 residues pruned to eliminate duplicates Z: 15 28.032 2.254 0.559 0.808 0.929 0.643 CA 1.755 15 residues pruned to eliminate duplicates Z: 20 73.599 2.624 1.332 0.921 1.000 0.737 CB 1.942 20 residues pruned to eliminate duplicates Z: 11 12.568 1.771 0.178 0.887 1.000 0.900 CA 1.373 Z: 17 21.610 2.222 0.530 0.698 0.875 0.562 CB 1.515 17 residues pruned to eliminate duplicates Z: 14 13.610 1.799 0.307 0.856 1.000 0.769 CB 1.184 Z: 19 28.342 2.224 0.728 0.724 0.944 0.722 CB 1.504 17 residues pruned to eliminate duplicates Z: 15 22.760 2.275 0.388 0.841 0.929 0.643 CB 1.547 15 residues pruned to eliminate duplicates Z: 54 59.116 2.448 0.754 0.723 0.868 0.415 CB 1.782 52 residues pruned to eliminate duplicates Z: 32 35.888 2.247 0.502 0.667 0.968 0.645 CB 1.691 30 residues pruned to eliminate duplicates Z: 22 33.593 2.353 0.503 0.931 0.952 0.952 CB 1.521 22 residues pruned to eliminate duplicates Z: 21 69.296 2.540 1.446 0.919 0.950 0.650 CB 1.850 21 residues pruned to eliminate duplicates Z: 12 20.995 2.232 0.323 0.777 1.000 0.818 CA 1.680 12 residues pruned to eliminate duplicates Z: 18 21.801 2.150 0.328 0.783 0.941 0.412 CB 1.533 18 residues pruned to eliminate duplicates Z: 13 16.272 2.129 0.316 0.783 0.917 0.833 CB 1.425 13 residues pruned to eliminate duplicates Z: 13 16.705 1.828 0.681 0.846 0.917 0.750 CB 1.272 14 residues pruned to eliminate duplicates Z: 23 42.630 2.278 1.177 0.907 0.955 0.500 CB 1.365 23 residues pruned to eliminate duplicates Z: 18 19.332 2.139 0.374 0.771 0.882 0.529 CB 1.422 19 residues pruned to eliminate duplicates Z: 23 42.425 2.319 1.167 0.901 0.909 0.455 CB 1.413 23 residues pruned to eliminate duplicates Z: 18 25.704 2.310 0.552 0.682 0.882 0.647 CB 1.667 18 residues pruned to eliminate duplicates Z: 22 44.208 2.390 0.947 0.928 0.952 0.476 CB 1.524 22 residues pruned to eliminate duplicates Z: 61 41.633 2.264 0.622 0.606 0.867 0.550 CB 1.528 54 residues pruned to eliminate duplicates Z: 48 63.950 2.453 0.826 0.756 0.915 0.638 CB 1.813 48 residues pruned to eliminate duplicates Z: 21 31.264 2.044 0.936 0.917 0.900 0.750 CA 1.385 Z: 15 36.030 2.439 1.023 0.844 0.929 0.643 CA 1.564 15 residues pruned to eliminate duplicates Z: 16 33.612 2.290 1.266 0.810 0.867 0.667 CA 1.473 16 residues pruned to eliminate duplicates Z: 12 22.891 2.018 0.613 0.921 1.000 0.636 CB 1.492 12 residues pruned to eliminate duplicates Z: 13 30.179 2.254 0.775 0.861 0.917 0.583 CB 1.746 12 residues pruned to eliminate duplicates Z: 12 17.544 1.997 0.321 0.882 0.909 0.727 CB 1.596 12 residues pruned to eliminate duplicates Z: 12 23.248 2.020 0.679 0.927 0.909 0.727 CB 1.593 12 residues pruned to eliminate duplicates Z: 13 19.744 2.121 0.450 0.823 1.000 0.667 CB 1.402 13 residues pruned to eliminate duplicates Z: 13 19.726 2.111 0.485 0.803 1.000 0.750 CB 1.394 13 residues pruned to eliminate duplicates Z: 12 28.163 2.355 0.508 0.838 1.000 0.818 CA 1.787 12 residues pruned to eliminate duplicates Z: 12 22.690 2.235 0.421 0.877 0.909 0.909 CB 1.721 12 residues pruned to eliminate duplicates Z: 13 12.896 1.826 0.324 0.810 0.917 0.833 CB 1.283 13 residues pruned to eliminate duplicates Z: 12 22.970 2.032 0.589 0.910 1.000 0.727 CB 1.522 12 residues pruned to eliminate duplicates Z: 58 41.784 2.278 0.563 0.606 0.912 0.596 CB 1.541 58 residues pruned to eliminate duplicates Z: 14 17.022 1.881 0.435 0.896 1.000 0.692 CB 1.253 13 residues pruned to eliminate duplicates Z: 13 21.668 1.883 0.625 0.841 1.000 0.667 CA 1.524 13 residues pruned to eliminate duplicates Z: 13 21.807 2.155 0.380 0.798 1.000 0.583 CB 1.630 13 residues pruned to eliminate duplicates Z: 12 22.734 2.011 0.439 0.915 1.000 0.636 CA 1.674 12 residues pruned to eliminate duplicates Z: 11 22.798 2.052 0.445 0.893 1.000 0.800 CB 1.746 11 residues pruned to eliminate duplicates Z: 21 48.139 2.496 0.691 0.920 1.000 0.950 CA 1.796 21 residues pruned to eliminate duplicates Z: 13 19.214 2.018 0.470 0.829 0.917 0.750 CB 1.534 13 residues pruned to eliminate duplicates Z: 13 19.019 1.972 0.866 0.912 0.917 0.667 CB 1.153 Z: 22 27.719 2.340 0.308 0.914 0.952 0.810 CB 1.467 22 residues pruned to eliminate duplicates Z: 20 55.023 2.516 0.908 0.931 1.000 0.895 CA 1.838 20 residues pruned to eliminate duplicates Z: 17 20.116 2.203 0.495 0.752 0.812 0.438 CB 1.501 17 residues pruned to eliminate duplicates Z: 13 19.232 1.944 0.399 0.899 1.000 0.917 CA 1.459 13 residues pruned to eliminate duplicates Z: 15 36.649 2.395 0.856 0.868 1.000 0.786 CA 1.611 15 residues pruned to eliminate duplicates Z: 21 25.616 2.002 0.797 0.900 0.850 0.650 CA 1.338 21 residues pruned to eliminate duplicates Z: 21 32.741 2.015 0.968 0.938 0.900 0.650 CA 1.427 21 residues pruned to eliminate duplicates Z: 12 18.044 1.987 0.673 0.878 0.818 0.636 CB 1.451 12 residues pruned to eliminate duplicates Z: 14 23.224 1.996 0.782 0.919 1.000 0.923 CB 1.276 13 residues pruned to eliminate duplicates Z: 19 25.937 2.259 0.423 0.675 0.944 0.778 CB 1.715 19 residues pruned to eliminate duplicates Z: 18 28.754 2.327 0.520 0.743 0.941 0.824 CB 1.686 18 residues pruned to eliminate duplicates Z: 19 24.479 2.231 0.512 0.674 0.889 0.444 CB 1.638 19 residues pruned to eliminate duplicates Z: 40 48.673 2.263 0.886 0.786 1.000 0.538 CB 1.420 40 residues pruned to eliminate duplicates Z: 37 52.368 2.400 0.862 0.661 0.917 0.528 CB 1.836 37 residues pruned to eliminate duplicates Z: 66 64.214 2.280 0.770 0.777 0.969 0.646 CB 1.594 65 residues pruned to eliminate duplicates Z: 8 8.242 2.148 -0.053 0.561 0.857 0.286 CA 1.682 8 residues pruned to eliminate duplicates Z: 21 29.194 2.019 0.715 0.912 1.000 0.850 CA 1.335 21 residues pruned to eliminate duplicates Z: 7 14.273 2.224 0.948 0.809 0.833 0.667 CB 1.233 7 residues pruned to eliminate duplicates Z: 9 9.851 1.748 0.247 0.880 1.000 0.625 CB 1.158 Z: 12 22.914 2.220 0.433 0.790 1.000 0.818 CB 1.684 12 residues pruned to eliminate duplicates Z: 13 22.690 2.013 1.013 0.897 1.000 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 19.541 1.951 0.376 0.864 1.000 0.750 CB 1.541 13 residues pruned to eliminate duplicates Z: 114 79.181 2.433 0.640 0.659 0.912 0.628 CB 1.766 113 residues pruned to eliminate duplicates Z: 21 24.676 1.989 0.588 0.919 0.900 0.850 CA 1.367 21 residues pruned to eliminate duplicates Z: 21 58.490 2.532 1.138 0.866 1.000 0.500 CB 1.768 21 residues pruned to eliminate duplicates Z: 14 14.664 1.762 0.452 0.825 1.000 0.769 CB 1.199 14 residues pruned to eliminate duplicates Z: 22 26.756 1.956 0.700 0.919 0.952 0.857 CA 1.300 22 residues pruned to eliminate duplicates Z: 12 23.669 2.006 0.542 0.847 1.000 0.727 CB 1.713 13 residues pruned to eliminate duplicates Z: 24 36.835 2.254 0.620 0.899 1.000 0.826 CB 1.503 24 residues pruned to eliminate duplicates Z: 75 77.910 2.537 0.703 0.692 0.919 0.676 CB 1.913 75 residues pruned to eliminate duplicates Z: 15 34.769 2.430 0.790 0.888 1.000 0.857 CA 1.539 15 residues pruned to eliminate duplicates Z: 20 34.901 2.067 0.875 0.940 1.000 0.579 CA 1.434 20 residues pruned to eliminate duplicates Z: 13 16.253 1.895 0.441 0.884 1.000 0.833 CB 1.242 13 residues pruned to eliminate duplicates Z: 11 28.173 2.495 0.607 0.842 0.900 0.700 CA 1.840 11 residues pruned to eliminate duplicates Z: 12 24.095 2.297 0.574 0.839 0.909 0.727 CB 1.651 12 residues pruned to eliminate duplicates Z: 11 9.942 1.827 0.114 0.793 1.000 0.600 CB 1.194 Z: 14 10.562 1.731 0.315 0.775 0.846 0.615 CA 1.192 11 residues pruned to eliminate duplicates Z: 24 41.659 2.247 1.050 0.922 0.913 0.261 CB 1.452 24 residues pruned to eliminate duplicates Z: 113 80.983 2.433 0.748 0.658 0.884 0.509 CB 1.757 113 residues pruned to eliminate duplicates Z: 15 38.633 2.388 1.015 0.869 0.929 0.643 CA 1.687 15 residues pruned to eliminate duplicates Z: 12 17.587 1.999 0.499 0.941 1.000 1.000 CB 1.228 12 residues pruned to eliminate duplicates Z: 12 11.180 1.809 0.215 0.806 0.909 0.818 CA 1.292 12 residues pruned to eliminate duplicates Z: 13 21.626 1.983 0.734 0.893 1.000 0.583 CB 1.303 13 residues pruned to eliminate duplicates Z: 16 28.005 1.885 0.967 0.907 1.000 0.667 CA 1.386 10 residues pruned to eliminate duplicates Z: 13 19.129 2.088 0.469 0.758 1.000 0.667 CB 1.431 13 residues pruned to eliminate duplicates Z: 13 17.313 2.233 0.218 0.795 0.917 0.750 CB 1.547 13 residues pruned to eliminate duplicates Z: 13 24.146 2.018 0.845 0.909 1.000 0.833 CB 1.329 13 residues pruned to eliminate duplicates Z: 15 19.762 1.871 0.729 0.869 0.929 0.714 CB 1.285 15 residues pruned to eliminate duplicates Z: 19 35.060 2.078 0.980 0.934 1.000 0.611 CA 1.401 20 residues pruned to eliminate duplicates Z: 60 53.071 2.255 0.821 0.708 0.915 0.542 CB 1.522 60 residues pruned to eliminate duplicates Z: 16 34.953 2.386 0.544 0.844 1.000 0.667 CA 1.823 16 residues pruned to eliminate duplicates Z: 14 27.299 1.938 1.232 0.941 1.000 0.846 CB 1.214 14 residues pruned to eliminate duplicates Z: 14 17.879 1.887 0.566 0.907 1.000 0.692 CB 1.193 14 residues pruned to eliminate duplicates Z: 8 11.064 1.736 0.842 0.789 1.000 0.857 CB 1.015 Z: 78 84.175 2.493 0.830 0.670 0.948 0.623 CB 1.897 78 residues pruned to eliminate duplicates Z: 14 38.419 2.495 0.690 0.873 1.000 0.769 CA 1.841 14 residues pruned to eliminate duplicates Z: 6 10.593 1.801 0.613 0.868 1.000 0.800 CB 1.192 7 residues pruned to eliminate duplicates Z: 23 39.968 2.341 0.893 0.911 0.909 0.591 CB 1.499 23 residues pruned to eliminate duplicates Z: 11 23.441 2.299 0.446 0.888 1.000 0.700 CB 1.606 11 residues pruned to eliminate duplicates Z: 21 25.122 2.000 0.599 0.916 0.950 0.850 CA 1.306 21 residues pruned to eliminate duplicates Z: 20 28.029 2.071 0.559 0.935 1.000 0.947 CA 1.389 21 residues pruned to eliminate duplicates Z: 20 30.430 1.983 0.863 0.923 1.000 0.789 CA 1.328 20 residues pruned to eliminate duplicates Z: 53 73.312 2.538 0.683 0.761 0.962 0.731 CA 1.962 53 residues pruned to eliminate duplicates Z: 12 20.921 1.997 0.693 0.882 0.909 0.455 CB 1.485 12 residues pruned to eliminate duplicates Z: 40 45.751 2.219 0.901 0.795 0.974 0.641 CB 1.376 40 residues pruned to eliminate duplicates Z: 12 14.882 1.787 0.395 0.891 1.000 0.818 CB 1.294 11 residues pruned to eliminate duplicates Z: 114 76.901 2.421 0.596 0.644 0.920 0.602 CB 1.779 115 residues pruned to eliminate duplicates Z: 10 11.805 1.675 0.280 0.902 1.000 1.000 CB 1.309 9 residues pruned to eliminate duplicates Z: 23 31.800 2.236 0.519 0.938 0.955 0.864 CB 1.454 23 residues pruned to eliminate duplicates Z: 14 25.983 1.922 0.978 0.874 1.000 0.769 CB 1.380 14 residues pruned to eliminate duplicates Z: 13 17.107 1.909 0.449 0.904 1.000 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 6 6.604 1.916 0.077 0.448 1.000 1.000 CB 1.510 Z: 114 72.486 2.387 0.748 0.629 0.850 0.522 CB 1.704 114 residues pruned to eliminate duplicates Z: 21 21.020 1.921 0.488 0.896 1.000 0.850 CA 1.178 21 residues pruned to eliminate duplicates Z: 20 15.613 1.667 0.401 0.915 1.000 0.947 CB 1.084 Z: 15 19.010 1.934 0.436 0.897 1.000 0.714 CB 1.309 15 residues pruned to eliminate duplicates Z: 10 4.752 1.591 0.197 0.411 0.889 0.889 CB 1.026 16 residues pruned to eliminate duplicates Z: 12 30.252 2.396 0.689 0.867 0.909 0.727 CB 1.813 12 residues pruned to eliminate duplicates Z: 21 28.373 2.020 0.687 0.937 0.950 0.800 CA 1.364 21 residues pruned to eliminate duplicates Z: 8 8.614 1.710 0.425 0.693 1.000 1.000 CA 1.120 8 residues pruned to eliminate duplicates Z: 34 46.822 2.439 0.746 0.714 0.879 0.606 CB 1.794 17 residues pruned to eliminate duplicates Z: 13 11.469 1.754 0.265 0.812 0.917 0.667 CA 1.241 13 residues pruned to eliminate duplicates Z: 15 17.276 1.912 0.544 0.898 0.857 0.786 CB 1.306 15 residues pruned to eliminate duplicates Z: 13 14.346 1.816 0.685 0.808 0.833 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 24 26.425 2.167 0.292 0.899 1.000 0.913 CB 1.407 24 residues pruned to eliminate duplicates Z: 12 10.763 1.535 0.244 0.872 1.000 0.636 CB 1.238 12 residues pruned to eliminate duplicates Z: 11 10.192 1.525 0.336 0.891 1.000 0.900 CB 1.137 9 residues pruned to eliminate duplicates Z: 12 17.904 2.179 0.424 0.843 1.000 0.818 CB 1.295 12 residues pruned to eliminate duplicates Z: 13 21.149 2.005 0.617 0.937 1.000 0.917 CB 1.310 13 residues pruned to eliminate duplicates Z: 11 21.162 2.074 0.456 0.896 1.000 0.700 CB 1.586 11 residues pruned to eliminate duplicates Z: 12 11.529 1.795 0.268 0.806 0.909 0.636 CA 1.287 14 residues pruned to eliminate duplicates Z: 6 9.373 1.826 0.287 0.820 1.000 0.800 CB 1.351 6 residues pruned to eliminate duplicates Z: 14 11.346 1.796 0.455 0.734 0.846 0.692 CB 1.154 Z: 12 12.471 1.995 0.135 0.776 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 17 23.428 1.823 0.774 0.881 1.000 0.750 CB 1.312 16 residues pruned to eliminate duplicates Z: 21 36.059 1.983 1.036 0.946 0.950 0.750 CA 1.454 19 residues pruned to eliminate duplicates Z: 11 19.811 2.054 0.398 0.911 1.000 0.900 CB 1.546 11 residues pruned to eliminate duplicates Z: 14 21.371 1.891 0.778 0.918 1.000 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 13 19.764 1.914 0.663 0.867 1.000 0.583 CB 1.311 13 residues pruned to eliminate duplicates Z: 14 17.799 2.121 0.362 0.774 0.923 0.692 CB 1.453 14 residues pruned to eliminate duplicates Z: 18 22.193 2.166 0.467 0.806 0.941 0.588 CB 1.378 18 residues pruned to eliminate duplicates Z: 57 36.070 2.206 0.584 0.570 0.893 0.500 CB 1.443 57 residues pruned to eliminate duplicates Z: 12 15.516 1.961 0.605 0.872 0.909 0.727 CB 1.191 12 residues pruned to eliminate duplicates Z: 15 15.278 1.754 0.522 0.823 1.000 0.500 CB 1.156 15 residues pruned to eliminate duplicates Z: 15 19.937 1.956 0.571 0.895 1.000 0.857 CB 1.242 15 residues pruned to eliminate duplicates Z: 21 30.000 2.021 0.777 0.912 0.900 0.500 CB 1.470 21 residues pruned to eliminate duplicates Z: 94 79.177 2.467 0.748 0.638 0.914 0.570 CB 1.831 94 residues pruned to eliminate duplicates Z: 41 68.001 2.514 0.891 0.764 0.925 0.825 CB 1.934 41 residues pruned to eliminate duplicates Z: 22 73.665 2.396 1.567 0.955 1.000 0.571 CB 1.797 22 residues pruned to eliminate duplicates Z: 21 35.166 1.971 1.069 0.938 0.950 0.500 CA 1.411 21 residues pruned to eliminate duplicates Z: 17 17.621 1.704 0.830 0.903 1.000 0.625 CB 1.007 15 residues pruned to eliminate duplicates Z: 17 11.580 1.638 0.570 0.839 0.875 0.625 CB 0.960 8 residues pruned to eliminate duplicates Z: 14 10.476 1.808 0.343 0.676 0.846 0.692 CB 1.203 13 residues pruned to eliminate duplicates Z: 10 10.049 1.838 0.423 0.839 0.778 0.667 CB 1.229 10 residues pruned to eliminate duplicates Z: 20 27.385 2.042 0.616 0.916 1.000 0.684 CA 1.345 20 residues pruned to eliminate duplicates Z: 27 30.262 2.312 0.752 0.517 0.885 0.692 CA 1.629 27 residues pruned to eliminate duplicates Z: 15 18.948 1.787 0.592 0.875 1.000 0.786 CB 1.295 15 residues pruned to eliminate duplicates Z: 13 11.105 1.954 0.150 0.761 0.917 0.333 CB 1.234 13 residues pruned to eliminate duplicates Z: 17 14.667 1.708 0.680 0.919 1.000 0.688 CB 0.901 17 residues pruned to eliminate duplicates Z: 13 21.388 1.984 0.851 0.901 1.000 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 13 10.586 1.672 0.293 0.793 1.000 0.583 CB 1.093 11 residues pruned to eliminate duplicates Z: 23 32.337 2.308 0.420 0.917 1.000 0.909 CB 1.485 23 residues pruned to eliminate duplicates Z: 21 25.536 1.994 0.656 0.916 1.000 0.900 CA 1.221 21 residues pruned to eliminate duplicates Z: 16 17.540 1.687 1.047 0.909 1.000 0.600 CB 0.931 16 residues pruned to eliminate duplicates Z: 9 7.143 1.834 0.541 0.723 0.875 0.625 CB 0.835 9 residues pruned to eliminate duplicates Z: 19 15.761 1.732 0.503 0.881 0.944 0.778 CB 1.094 19 residues pruned to eliminate duplicates Z: 21 22.144 1.746 0.938 0.942 1.000 0.500 CB 1.015 22 residues pruned to eliminate duplicates Z: 13 33.085 2.260 0.849 0.851 0.917 0.667 CB 1.846 13 residues pruned to eliminate duplicates Z: 14 19.562 1.940 0.705 0.838 0.923 0.769 CB 1.328 14 residues pruned to eliminate duplicates Z: 10 24.041 2.499 0.245 0.885 1.000 0.778 CB 1.859 10 residues pruned to eliminate duplicates Z: 21 34.156 2.016 0.973 0.932 0.950 0.700 CA 1.412 21 residues pruned to eliminate duplicates Z: 19 22.515 1.784 0.977 0.907 1.000 0.556 CB 1.069 19 residues pruned to eliminate duplicates Z: 19 17.426 2.193 0.350 0.592 0.889 0.556 CB 1.431 19 residues pruned to eliminate duplicates Z: 9 9.069 1.803 0.316 0.876 1.000 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 14 20.572 1.911 0.825 0.911 1.000 0.538 CB 1.159 14 residues pruned to eliminate duplicates Z: 15 20.905 1.929 0.552 0.895 0.929 0.857 CA 1.440 15 residues pruned to eliminate duplicates Z: 20 30.633 2.004 0.834 0.937 0.947 0.737 CA 1.404 20 residues pruned to eliminate duplicates Z: 14 17.864 2.033 0.504 0.773 0.923 0.615 CB 1.379 14 residues pruned to eliminate duplicates Z: 20 30.573 2.028 0.827 0.926 0.947 0.579 CA 1.402 20 residues pruned to eliminate duplicates Z: 13 17.755 1.906 0.774 0.880 0.917 0.417 CB 1.198 13 residues pruned to eliminate duplicates Z: 12 9.717 1.823 0.074 0.820 0.909 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 10 11.266 1.487 0.657 0.898 1.000 0.667 CB 1.090 Z: 16 18.290 1.720 1.040 0.911 1.000 0.667 CB 0.954 16 residues pruned to eliminate duplicates Z: 107 76.928 2.438 0.603 0.648 0.934 0.642 CB 1.783 107 residues pruned to eliminate duplicates Z: 12 28.726 2.378 0.606 0.901 1.000 1.000 CA 1.619 12 residues pruned to eliminate duplicates Z: 14 10.987 1.748 0.482 0.635 0.923 0.692 CB 1.122 14 residues pruned to eliminate duplicates Z: 30 34.663 2.274 0.758 0.622 0.862 0.586 CB 1.664 30 residues pruned to eliminate duplicates Z: 18 18.653 2.136 0.258 0.799 0.882 0.706 CB 1.470 18 residues pruned to eliminate duplicates Z: 10 9.756 1.572 0.328 0.862 0.889 0.667 CB 1.287 10 residues pruned to eliminate duplicates Z: 15 15.619 1.946 0.275 0.883 0.929 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 14 14.236 1.724 0.742 0.910 1.000 0.615 CB 0.932 14 residues pruned to eliminate duplicates Z: 7 9.915 1.792 0.628 0.835 0.833 0.667 CB 1.247 7 residues pruned to eliminate duplicates Z: 8 19.524 2.188 0.640 0.806 1.000 0.857 CA 1.575 8 residues pruned to eliminate duplicates Z: 18 15.068 2.141 -0.033 0.790 0.941 0.706 CB 1.454 18 residues pruned to eliminate duplicates Z: 40 52.991 2.364 1.007 0.661 0.897 0.641 CB 1.716 19 residues pruned to eliminate duplicates Z: 43 27.166 2.180 0.439 0.601 0.833 0.500 CB 1.456 43 residues pruned to eliminate duplicates Z: 12 14.880 1.763 0.422 0.832 1.000 0.818 CB 1.343 12 residues pruned to eliminate duplicates Z: 22 27.718 1.946 0.682 0.907 1.000 0.762 CA 1.313 21 residues pruned to eliminate duplicates Z: 59 35.686 2.152 0.723 0.557 0.828 0.500 CB 1.444 59 residues pruned to eliminate duplicates Z: 65 45.991 2.302 0.602 0.601 0.891 0.609 CB 1.589 65 residues pruned to eliminate duplicates Z: 15 14.760 1.912 0.290 0.801 0.929 0.714 CB 1.324 15 residues pruned to eliminate duplicates Z: 69 48.864 2.206 0.513 0.729 0.971 0.721 CB 1.489 69 residues pruned to eliminate duplicates Z: 12 21.544 2.052 1.114 0.905 0.909 0.545 CB 1.172 12 residues pruned to eliminate duplicates Z: 19 18.140 1.731 0.916 0.916 0.889 0.611 CB 1.024 19 residues pruned to eliminate duplicates Z: 18 19.245 1.780 0.725 0.933 1.000 0.941 CB 1.061 18 residues pruned to eliminate duplicates Z: 68 48.364 2.237 0.455 0.722 0.970 0.687 CB 1.532 68 residues pruned to eliminate duplicates Z: 9 8.298 1.572 0.910 0.654 0.875 0.250 CB 0.968 8 residues pruned to eliminate duplicates Z: 19 16.520 1.723 0.457 0.907 1.000 0.722 CB 1.103 19 residues pruned to eliminate duplicates Z: 13 12.224 1.805 0.215 0.804 1.000 0.750 CB 1.235 13 residues pruned to eliminate duplicates Z: 13 15.278 1.874 0.413 0.756 0.917 0.833 CB 1.447 13 residues pruned to eliminate duplicates Z: 8 3.235 1.506 0.138 0.319 0.714 0.571 N 1.220 8 residues pruned to eliminate duplicates Z: 21 17.552 1.936 0.401 0.692 0.950 0.650 CB 1.279 21 residues pruned to eliminate duplicates Z: 10 10.692 1.571 0.733 0.927 1.000 0.889 CB 0.918 10 residues pruned to eliminate duplicates Z: 9 8.358 1.488 0.436 0.903 1.000 0.750 CB 0.986 9 residues pruned to eliminate duplicates Z: 14 22.403 2.137 0.495 0.905 1.000 0.769 CB 1.385 14 residues pruned to eliminate duplicates Z: 6 7.328 1.914 -0.037 0.761 1.000 1.000 CB 1.410 6 residues pruned to eliminate duplicates Z: 13 22.673 1.941 0.905 0.893 0.917 0.500 CA 1.386 15 residues pruned to eliminate duplicates Z: 15 20.531 2.160 0.718 0.890 0.786 0.286 CB 1.354 15 residues pruned to eliminate duplicates Z: 53 58.015 2.309 0.849 0.750 0.962 0.635 CB 1.568 53 residues pruned to eliminate duplicates Z: 21 12.944 1.698 0.379 0.633 0.950 0.650 CB 1.149 15 residues pruned to eliminate duplicates Z: 21 31.925 1.940 0.939 0.943 0.950 0.350 CA 1.384 21 residues pruned to eliminate duplicates Z: 8 9.107 1.596 0.494 0.873 1.000 0.571 CB 1.052 Z: 11 6.690 1.550 0.430 0.882 0.900 0.800 CB 0.767 11 residues pruned to eliminate duplicates Z: 23 19.347 2.167 0.546 0.657 0.773 0.455 CB 1.377 23 residues pruned to eliminate duplicates Z: 10 11.107 1.373 0.678 0.908 1.000 0.667 CB 1.142 11 residues pruned to eliminate duplicates Z: 112 75.297 2.410 0.639 0.651 0.892 0.649 CB 1.762 117 residues pruned to eliminate duplicates Z: 14 17.171 1.963 0.582 0.885 0.923 0.538 CB 1.199 14 residues pruned to eliminate duplicates Z: 18 22.533 2.160 0.499 0.815 0.882 0.471 CB 1.455 18 residues pruned to eliminate duplicates Z: 15 22.862 1.899 0.685 0.867 1.000 0.857 CA 1.397 15 residues pruned to eliminate duplicates 6 1.128 1.231 0.092 0.339 0.600 0.400 CB 0.746 ? Z: 20 29.594 1.936 0.823 0.922 1.000 0.737 CA 1.353 20 residues pruned to eliminate duplicates Z: 72 86.093 2.509 0.931 0.688 0.958 0.634 CB 1.853 72 residues pruned to eliminate duplicates Z: 10 9.182 1.521 0.680 0.905 1.000 0.778 CB 0.852 9 residues pruned to eliminate duplicates Z: 12 11.233 1.654 0.463 0.937 1.000 1.000 CB 0.974 11 residues pruned to eliminate duplicates Z: 9 16.760 2.113 0.266 0.861 1.000 0.875 CB 1.628 9 residues pruned to eliminate duplicates Z: 78 78.507 2.554 0.674 0.668 0.922 0.688 CB 1.943 78 residues pruned to eliminate duplicates Z: 16 8.716 1.595 0.306 0.798 0.867 0.600 CB 0.960 16 residues pruned to eliminate duplicates Z: 6 2.407 1.667 0.118 0.307 0.600 0.400 CB 1.192 Z: 75 81.003 2.517 0.814 0.676 0.919 0.622 CB 1.909 75 residues pruned to eliminate duplicates Z: 10 6.775 1.483 0.314 0.911 1.000 0.889 CB 0.821 10 residues pruned to eliminate duplicates Z: 12 3.752 1.568 0.264 0.295 0.727 0.545 CB 0.988 9 residues pruned to eliminate duplicates Z: 7 6.948 2.218 0.108 0.697 0.833 0.500 CB 1.157 7 residues pruned to eliminate duplicates Z: 8 2.605 1.371 0.373 0.418 0.857 0.571 CB 0.664 Z: 76 80.971 2.557 0.768 0.663 0.920 0.640 CB 1.934 76 residues pruned to eliminate duplicates Z: 18 24.774 2.005 0.475 0.697 1.000 0.824 CB 1.697 18 residues pruned to eliminate duplicates Z: 14 20.414 1.944 0.731 0.890 1.000 0.769 CB 1.211 14 residues pruned to eliminate duplicates Z: 10 10.670 1.652 0.358 0.884 1.000 1.000 CB 1.146 11 residues pruned to eliminate duplicates Z: 33 35.483 2.110 0.742 0.776 0.969 0.531 CB 1.381 32 residues pruned to eliminate duplicates Z: 23 28.645 2.309 0.226 0.930 1.000 0.864 CA 1.508 23 residues pruned to eliminate duplicates Z: 9 5.468 1.706 0.137 0.372 1.000 0.875 CB 1.144 9 residues pruned to eliminate duplicates Z: 10 7.693 1.433 0.745 0.833 0.889 0.778 CB 0.866 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.001 1.861 -0.127 0.423 1.000 0.800 CB 1.492 6 residues pruned to eliminate duplicates Z: 15 4.729 1.657 0.014 0.266 0.857 0.357 CB 1.145 12 residues pruned to eliminate duplicates Z: 6 5.349 1.772 0.249 0.728 0.800 0.600 CB 1.100 5 residues pruned to eliminate duplicates Z: 7 4.856 1.833 0.192 0.472 0.833 0.500 CB 1.120 7 residues pruned to eliminate duplicates Z: 40 28.005 2.167 0.386 0.633 0.974 0.641 CB 1.353 40 residues pruned to eliminate duplicates Z: 20 19.918 2.158 0.377 0.723 0.895 0.632 CB 1.405 20 residues pruned to eliminate duplicates Z: 39 24.816 2.137 0.335 0.613 0.895 0.579 CB 1.418 39 residues pruned to eliminate duplicates Z: 33 23.753 2.190 0.333 0.626 0.938 0.500 CB 1.363 33 residues pruned to eliminate duplicates Z: 43 23.708 2.106 0.319 0.577 0.905 0.500 CB 1.352 43 residues pruned to eliminate duplicates Z: 113 69.840 2.390 0.558 0.617 0.893 0.607 CB 1.777 113 residues pruned to eliminate duplicates Z: 39 28.412 2.153 0.477 0.638 0.947 0.579 CB 1.344 39 residues pruned to eliminate duplicates Z: 78 50.802 2.322 0.571 0.593 0.896 0.610 CB 1.621 78 residues pruned to eliminate duplicates Z: 41 22.345 2.128 0.311 0.590 0.875 0.575 CB 1.329 41 residues pruned to eliminate duplicates Z: 115 75.363 2.407 0.608 0.649 0.912 0.579 CB 1.740 115 residues pruned to eliminate duplicates Z: 39 26.628 2.155 0.387 0.618 0.921 0.474 CB 1.403 39 residues pruned to eliminate duplicates Z: 114 83.009 2.441 0.696 0.661 0.912 0.584 CB 1.783 114 residues pruned to eliminate duplicates Z: 19 23.790 2.139 0.415 0.784 0.944 0.500 CB 1.528 19 residues pruned to eliminate duplicates Z: 114 78.724 2.427 0.663 0.650 0.912 0.540 CB 1.751 113 residues pruned to eliminate duplicates Z: 15 18.710 2.140 0.318 0.769 0.929 0.643 CB 1.505 15 residues pruned to eliminate duplicates Z: 44 25.930 2.148 0.428 0.568 0.860 0.558 CB 1.403 44 residues pruned to eliminate duplicates Z: 41 26.442 2.161 0.310 0.625 0.950 0.575 CB 1.382 41 residues pruned to eliminate duplicates Z: 115 79.812 2.431 0.638 0.649 0.930 0.632 CB 1.757 115 residues pruned to eliminate duplicates Z: 39 26.249 2.174 0.377 0.615 0.921 0.605 CB 1.386 39 residues pruned to eliminate duplicates Z: 37 22.468 2.117 0.455 0.588 0.833 0.528 CB 1.341 37 residues pruned to eliminate duplicates Z: 39 26.103 2.163 0.391 0.630 0.895 0.579 CB 1.392 39 residues pruned to eliminate duplicates Z: 41 25.320 2.159 0.421 0.607 0.875 0.550 CB 1.347 41 residues pruned to eliminate duplicates Z: 114 79.866 2.428 0.618 0.655 0.947 0.619 CB 1.748 114 residues pruned to eliminate duplicates Z: 114 82.779 2.429 0.703 0.661 0.920 0.611 CB 1.762 114 residues pruned to eliminate duplicates Z: 115 79.154 2.428 0.601 0.655 0.930 0.588 CB 1.776 115 residues pruned to eliminate duplicates Z: 113 80.289 2.440 0.658 0.648 0.929 0.670 CB 1.759 114 residues pruned to eliminate duplicates Z: 13 20.881 2.165 0.444 0.772 0.917 0.500 CB 1.653 13 residues pruned to eliminate duplicates Z: 40 27.767 2.167 0.424 0.619 0.897 0.462 CB 1.435 40 residues pruned to eliminate duplicates Z: 115 82.869 2.442 0.672 0.651 0.930 0.561 CB 1.776 115 residues pruned to eliminate duplicates Z: 113 76.575 2.445 0.592 0.651 0.902 0.571 CB 1.792 114 residues pruned to eliminate duplicates Z: 13 18.274 2.122 0.322 0.790 1.000 0.667 CA 1.457 13 residues pruned to eliminate duplicates Z: 113 78.336 2.449 0.608 0.650 0.911 0.580 CB 1.794 113 residues pruned to eliminate duplicates Z: 17 13.622 2.202 0.305 0.505 0.812 0.438 CB 1.451 17 residues pruned to eliminate duplicates Z: 42 24.491 2.127 0.288 0.603 0.902 0.415 CB 1.403 41 residues pruned to eliminate duplicates Z: 15 23.083 2.172 0.584 0.747 0.929 0.500 CB 1.548 15 residues pruned to eliminate duplicates Z: 65 47.108 2.308 0.661 0.583 0.875 0.562 CB 1.622 65 residues pruned to eliminate duplicates Z: 115 83.537 2.427 0.748 0.635 0.921 0.596 CB 1.764 115 residues pruned to eliminate duplicates Z: 6 5.714 2.052 0.207 0.305 1.000 0.600 CA 1.282 6 residues pruned to eliminate duplicates Z: 115 78.856 2.417 0.649 0.650 0.912 0.588 CB 1.766 115 residues pruned to eliminate duplicates Z: 116 79.456 2.402 0.651 0.644 0.930 0.557 CB 1.755 116 residues pruned to eliminate duplicates Z: 76 80.632 2.516 0.884 0.677 0.893 0.627 CB 1.869 76 residues pruned to eliminate duplicates Z: 64 45.729 2.342 0.598 0.572 0.873 0.492 CB 1.645 65 residues pruned to eliminate duplicates Z: 16 37.206 2.421 0.917 0.842 0.933 0.667 CA 1.653 16 residues pruned to eliminate duplicates Z: 114 81.304 2.430 0.665 0.644 0.938 0.540 CB 1.762 114 residues pruned to eliminate duplicates Z: 115 79.198 2.424 0.651 0.647 0.895 0.596 CB 1.806 115 residues pruned to eliminate duplicates Z: 77 57.155 2.331 0.703 0.615 0.882 0.553 CB 1.680 76 residues pruned to eliminate duplicates Z: 15 41.869 2.470 1.266 0.849 0.929 0.500 CA 1.596 15 residues pruned to eliminate duplicates Z: 74 89.502 2.563 0.912 0.699 0.932 0.685 CB 1.914 74 residues pruned to eliminate duplicates Z: 16 40.447 2.389 1.214 0.750 0.933 0.600 CA 1.693 16 residues pruned to eliminate duplicates Z: 102 73.514 2.408 0.661 0.636 0.911 0.594 CB 1.766 102 residues pruned to eliminate duplicates Z: 104 77.510 2.433 0.752 0.646 0.883 0.650 CB 1.770 104 residues pruned to eliminate duplicates Z: 111 79.779 2.444 0.679 0.650 0.909 0.618 CB 1.773 111 residues pruned to eliminate duplicates Z: 74 86.211 2.569 0.830 0.692 0.932 0.644 CB 1.933 74 residues pruned to eliminate duplicates Z: 113 82.274 2.445 0.702 0.653 0.911 0.536 CB 1.780 113 residues pruned to eliminate duplicates Z: 115 81.828 2.432 0.631 0.664 0.930 0.640 CB 1.785 115 residues pruned to eliminate duplicates Z: 103 69.594 2.405 0.643 0.630 0.892 0.657 CB 1.730 103 residues pruned to eliminate duplicates Z: 115 77.838 2.407 0.608 0.657 0.930 0.579 CB 1.752 115 residues pruned to eliminate duplicates Z: 111 77.426 2.412 0.664 0.639 0.909 0.627 CB 1.777 111 residues pruned to eliminate duplicates Z: 115 82.873 2.441 0.650 0.658 0.930 0.623 CB 1.790 115 residues pruned to eliminate duplicates Z: 115 78.895 2.413 0.689 0.650 0.904 0.632 CB 1.746 115 residues pruned to eliminate duplicates Z: 114 78.400 2.432 0.685 0.656 0.867 0.584 CB 1.795 114 residues pruned to eliminate duplicates Z: 82 79.634 2.535 0.716 0.651 0.938 0.630 CB 1.884 82 residues pruned to eliminate duplicates Z: 116 80.080 2.391 0.652 0.661 0.939 0.591 CB 1.735 114 residues pruned to eliminate duplicates Z: 12 33.145 2.499 0.474 0.836 1.000 0.636 CB 2.030 12 residues pruned to eliminate duplicates Z: 115 81.574 2.417 0.749 0.644 0.895 0.579 CB 1.766 115 residues pruned to eliminate duplicates Z: 60 60.182 2.415 0.695 0.646 0.915 0.593 CB 1.825 60 residues pruned to eliminate duplicates Z: 116 76.286 2.406 0.562 0.649 0.939 0.635 CB 1.754 116 residues pruned to eliminate duplicates Z: 114 78.281 2.419 0.650 0.653 0.912 0.619 CB 1.755 114 residues pruned to eliminate duplicates Z: 51 71.880 2.544 0.826 0.753 0.920 0.720 CB 1.899 51 residues pruned to eliminate duplicates Z: 115 80.952 2.428 0.624 0.657 0.939 0.649 CB 1.770 115 residues pruned to eliminate duplicates Z: 115 79.751 2.428 0.726 0.645 0.886 0.596 CB 1.757 115 residues pruned to eliminate duplicates Z: 114 81.547 2.441 0.703 0.643 0.903 0.575 CB 1.788 114 residues pruned to eliminate duplicates Z: 114 82.638 2.436 0.655 0.661 0.929 0.611 CB 1.788 114 residues pruned to eliminate duplicates Z: 116 79.160 2.419 0.693 0.644 0.887 0.617 CB 1.777 116 residues pruned to eliminate duplicates Z: 114 79.089 2.436 0.646 0.654 0.903 0.602 CB 1.780 114 residues pruned to eliminate duplicates Z: 37 53.868 2.450 0.834 0.686 0.917 0.694 CB 1.838 37 residues pruned to eliminate duplicates Z: 38 59.455 2.451 0.894 0.723 0.919 0.676 CB 1.875 38 residues pruned to eliminate duplicates Z: 109 80.617 2.417 0.724 0.652 0.935 0.593 CB 1.728 109 residues pruned to eliminate duplicates Z: 39 40.476 2.408 0.685 0.669 0.789 0.605 CB 1.753 39 residues pruned to eliminate duplicates Z: 74 66.612 2.426 0.904 0.624 0.836 0.479 CB 1.797 74 residues pruned to eliminate duplicates Z: 74 76.565 2.517 0.744 0.689 0.932 0.671 CB 1.843 74 residues pruned to eliminate duplicates Z: 37 51.913 2.467 0.744 0.703 0.917 0.611 CB 1.824 37 residues pruned to eliminate duplicates Z: 39 45.714 2.383 0.735 0.653 0.868 0.684 CB 1.792 28 residues pruned to eliminate duplicates Z: 20 74.664 2.589 1.324 0.944 1.000 0.421 CB 1.971 15 residues pruned to eliminate duplicates Z: 19 73.968 2.653 1.251 0.947 1.000 0.500 CB 2.018 19 residues pruned to eliminate duplicates Z: 19 71.316 2.667 1.258 0.942 0.944 0.722 CB 2.050 19 residues pruned to eliminate duplicates Z: 104 67.358 2.329 0.733 0.593 0.883 0.505 CB 1.703 82 residues pruned to eliminate duplicates Z: 20 71.242 2.610 1.367 0.915 0.947 0.368 CB 1.973 20 residues pruned to eliminate duplicates Z: 76 82.574 2.498 0.796 0.674 0.933 0.533 CB 1.940 76 residues pruned to eliminate duplicates Z: 77 83.350 2.513 0.857 0.671 0.934 0.605 CB 1.873 77 residues pruned to eliminate duplicates Z: 116 75.124 2.402 0.657 0.637 0.896 0.565 CB 1.728 116 residues pruned to eliminate duplicates Z: 22 17.355 2.312 0.160 0.605 0.762 0.476 CB 1.678 22 residues pruned to eliminate duplicates Z: 37 49.133 2.464 0.728 0.682 0.889 0.389 CB 1.831 37 residues pruned to eliminate duplicates Z: 113 79.273 2.414 0.647 0.655 0.929 0.562 CB 1.756 113 residues pruned to eliminate duplicates Z: 50 80.902 2.573 0.887 0.769 0.959 0.694 CB 1.956 53 residues pruned to eliminate duplicates Z: 17 25.865 2.190 0.466 0.868 0.875 0.688 CA 1.682 17 residues pruned to eliminate duplicates Z: 33 38.816 2.312 0.787 0.550 0.938 0.438 CB 1.686 33 residues pruned to eliminate duplicates Z: 114 77.401 2.423 0.663 0.648 0.903 0.487 CB 1.744 114 residues pruned to eliminate duplicates Z: 37 51.708 2.457 0.858 0.626 0.917 0.583 CB 1.829 37 residues pruned to eliminate duplicates Z: 58 69.198 2.539 0.777 0.675 0.877 0.474 CB 1.971 58 residues pruned to eliminate duplicates Z: 12 14.986 2.277 0.460 0.670 0.727 0.364 CB 1.597 12 residues pruned to eliminate duplicates Z: 11 22.497 2.561 0.526 0.721 0.800 0.500 CB 1.864 Z: 12 19.683 2.374 0.348 0.668 0.909 0.545 CB 1.747 12 residues pruned to eliminate duplicates Z: 115 82.552 2.407 0.677 0.675 0.921 0.526 CB 1.769 126 residues pruned to eliminate duplicates Z: 12 24.612 2.367 0.389 0.814 1.000 0.455 CB 1.719 Z: 16 26.355 2.326 0.422 0.826 0.867 0.467 CA 1.790 26 residues pruned to eliminate duplicates Z: 18 28.261 2.169 0.593 0.797 0.941 0.588 CB 1.626 18 residues pruned to eliminate duplicates Z: 38 45.169 2.410 0.658 0.645 0.892 0.541 CB 1.820 38 residues pruned to eliminate duplicates Z: 67 54.001 2.277 0.528 0.727 0.970 0.727 CB 1.607 67 residues pruned to eliminate duplicates Z: 53 47.437 2.300 0.530 0.733 0.981 0.769 CB 1.545 53 residues pruned to eliminate duplicates Z: 68 51.632 2.268 0.503 0.753 0.955 0.746 CB 1.546 68 residues pruned to eliminate duplicates Z: 22 22.087 2.075 0.449 0.703 0.952 0.667 CB 1.400 22 residues pruned to eliminate duplicates Z: 68 52.698 2.265 0.548 0.734 0.955 0.821 CB 1.558 68 residues pruned to eliminate duplicates Z: 67 52.899 2.282 0.518 0.719 0.970 0.712 CB 1.590 67 residues pruned to eliminate duplicates Z: 68 57.179 2.267 0.588 0.743 0.985 0.761 CB 1.585 68 residues pruned to eliminate duplicates Z: 66 54.347 2.277 0.587 0.747 0.969 0.769 CB 1.543 66 residues pruned to eliminate duplicates Z: 70 55.821 2.223 0.676 0.720 0.971 0.710 CB 1.523 70 residues pruned to eliminate duplicates Z: 68 55.457 2.270 0.588 0.746 0.970 0.746 CB 1.554 68 residues pruned to eliminate duplicates Z: 25 26.958 2.097 0.573 0.660 1.000 0.875 CB 1.438 25 residues pruned to eliminate duplicates Z: 67 57.619 2.274 0.598 0.752 0.985 0.727 CB 1.583 67 residues pruned to eliminate duplicates Z: 68 57.438 2.268 0.633 0.749 0.970 0.731 CB 1.564 68 residues pruned to eliminate duplicates Z: 68 54.697 2.260 0.576 0.734 0.970 0.761 CB 1.568 68 residues pruned to eliminate duplicates Z: 36 39.495 2.239 0.557 0.824 1.000 0.771 CB 1.446 36 residues pruned to eliminate duplicates Z: 69 49.346 2.230 0.440 0.706 0.985 0.662 CB 1.568 69 residues pruned to eliminate duplicates Z: 67 55.071 2.261 0.640 0.735 0.955 0.758 CB 1.550 67 residues pruned to eliminate duplicates Z: 53 49.057 2.319 0.628 0.728 0.962 0.712 CB 1.525 53 residues pruned to eliminate duplicates Z: 65 49.805 2.259 0.639 0.665 0.922 0.625 CB 1.565 65 residues pruned to eliminate duplicates Z: 67 53.998 2.284 0.552 0.730 0.970 0.682 CB 1.572 67 residues pruned to eliminate duplicates Z: 68 52.703 2.256 0.595 0.744 0.940 0.701 CB 1.530 68 residues pruned to eliminate duplicates Z: 67 60.588 2.296 0.681 0.745 0.970 0.682 CB 1.600 67 residues pruned to eliminate duplicates Z: 68 59.390 2.273 0.732 0.735 0.970 0.627 CB 1.538 68 residues pruned to eliminate duplicates Z: 67 62.106 2.281 0.727 0.734 1.000 0.667 CB 1.572 67 residues pruned to eliminate duplicates Z: 67 56.163 2.269 0.681 0.741 0.924 0.576 CB 1.581 67 residues pruned to eliminate duplicates Z: 69 56.386 2.231 0.794 0.734 0.941 0.603 CB 1.470 69 residues pruned to eliminate duplicates Z: 68 58.628 2.278 0.663 0.747 0.970 0.687 CB 1.562 68 residues pruned to eliminate duplicates Z: 56 54.595 2.301 0.824 0.725 0.964 0.545 CB 1.486 56 residues pruned to eliminate duplicates Z: 68 58.481 2.261 0.735 0.734 0.955 0.642 CB 1.546 68 residues pruned to eliminate duplicates Z: 68 55.613 2.258 0.716 0.731 0.910 0.507 CB 1.564 68 residues pruned to eliminate duplicates Z: 67 63.730 2.286 0.791 0.743 0.955 0.576 CB 1.615 67 residues pruned to eliminate duplicates Z: 67 55.956 2.273 0.723 0.723 0.909 0.606 CB 1.582 67 residues pruned to eliminate duplicates Z: 67 59.032 2.266 0.759 0.730 0.970 0.545 CB 1.529 67 residues pruned to eliminate duplicates Z: 52 48.880 2.295 0.710 0.721 0.902 0.608 CB 1.584 52 residues pruned to eliminate duplicates Z: 68 59.620 2.276 0.750 0.729 0.940 0.597 CB 1.582 68 residues pruned to eliminate duplicates Z: 69 55.986 2.224 0.758 0.712 0.926 0.603 CB 1.545 69 residues pruned to eliminate duplicates Z: 68 58.449 2.280 0.715 0.738 0.955 0.687 CB 1.545 68 residues pruned to eliminate duplicates Z: 67 62.251 2.278 0.738 0.760 0.985 0.591 CB 1.559 67 residues pruned to eliminate duplicates Z: 66 64.507 2.301 0.786 0.754 0.969 0.600 CB 1.602 66 residues pruned to eliminate duplicates Z: 69 61.684 2.256 0.760 0.751 0.971 0.647 CB 1.553 69 residues pruned to eliminate duplicates Z: 67 63.078 2.287 0.764 0.748 0.970 0.697 CB 1.591 67 residues pruned to eliminate duplicates Z: 68 60.504 2.270 0.708 0.737 0.970 0.612 CB 1.589 68 residues pruned to eliminate duplicates Z: 67 63.963 2.271 0.809 0.752 0.970 0.576 CB 1.579 67 residues pruned to eliminate duplicates Z: 68 58.559 2.265 0.717 0.741 0.940 0.642 CB 1.576 68 residues pruned to eliminate duplicates Z: 33 39.919 2.270 0.652 0.665 0.969 0.750 CB 1.667 33 residues pruned to eliminate duplicates Z: 68 55.559 2.270 0.664 0.729 0.910 0.642 CB 1.606 68 residues pruned to eliminate duplicates Z: 68 61.923 2.263 0.732 0.736 0.970 0.597 CB 1.609 68 residues pruned to eliminate duplicates Z: 67 59.243 2.287 0.677 0.743 0.955 0.621 CB 1.602 67 residues pruned to eliminate duplicates Z: 68 60.019 2.270 0.723 0.728 0.970 0.597 CB 1.573 68 residues pruned to eliminate duplicates Z: 68 60.751 2.263 0.669 0.756 0.985 0.582 CB 1.589 68 residues pruned to eliminate duplicates Z: 82 58.343 2.178 0.721 0.721 0.963 0.481 CB 1.470 82 residues pruned to eliminate duplicates Z: 68 61.869 2.275 0.786 0.729 0.955 0.627 CB 1.585 68 residues pruned to eliminate duplicates Z: 68 67.240 2.276 0.820 0.751 1.000 0.582 CB 1.586 68 residues pruned to eliminate duplicates Z: 68 62.702 2.274 0.732 0.770 0.970 0.701 CB 1.579 68 residues pruned to eliminate duplicates Z: 67 68.297 2.289 0.767 0.763 1.000 0.576 CB 1.644 67 residues pruned to eliminate duplicates Z: 68 59.288 2.258 0.745 0.751 0.955 0.657 CB 1.538 68 residues pruned to eliminate duplicates Z: 68 60.657 2.274 0.689 0.751 0.985 0.672 CB 1.566 68 residues pruned to eliminate duplicates Z: 68 63.402 2.261 0.759 0.764 0.985 0.672 CB 1.565 68 residues pruned to eliminate duplicates Z: 67 62.237 2.280 0.775 0.763 0.955 0.591 CB 1.570 67 residues pruned to eliminate duplicates Z: 68 63.665 2.272 0.725 0.759 0.985 0.642 CB 1.600 68 residues pruned to eliminate duplicates Z: 67 62.136 2.283 0.711 0.745 0.985 0.621 CB 1.597 67 residues pruned to eliminate duplicates Z: 67 64.719 2.299 0.726 0.758 0.985 0.667 CB 1.621 67 residues pruned to eliminate duplicates Z: 68 60.422 2.244 0.806 0.734 0.970 0.493 CB 1.522 68 residues pruned to eliminate duplicates Z: 70 60.007 2.224 0.763 0.732 0.971 0.638 CB 1.540 70 residues pruned to eliminate duplicates Z: 67 65.294 2.273 0.893 0.770 0.955 0.530 CB 1.541 67 residues pruned to eliminate duplicates 338 residues left after pruning, divided into chains as follows: A: 14 B: 18 C: 14 D: 20 E: 21 F: 22 G: 18 H: 11 I: 68 J: 9 K: 9 L: 114 CC for partial structure against native data = 38.31 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.521, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.585, Connect. = 0.778 for dens.mod. cycle 2 = 0.300, Contrast = 0.700, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.707, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.718, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 0.722, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.727, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.729, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.732, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.733, Connect. = 0.813 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.03 - 3.19 - 2.78 - 2.52 - 2.34 - 2.20 - 2.09 - 2.00 - 1.92 - 1.85 0.702 0.708 0.672 0.703 0.698 0.639 0.591 0.554 0.544 0.512 0.855 0.879 0.832 0.850 0.840 0.768 0.715 0.670 0.655 0.618 N 3750 3763 3788 3831 3744 3809 3788 3690 3906 3390 Estimated mean FOM = 0.633 Pseudo-free CC = 65.82 % Best trace (cycle 2 with CC 40.42%) was saved as ./2ogi-1.9-parrot-hancs/2ogi-1.9-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 2.7 - FFTs and peak-searches 14.1 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 819.2 - Tripeptide search 7662.6 - Chain tracing 0.0 - NCS analysis 16.1 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 17:37:17 Total time: 8515.61 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 142.64 Used memory is bytes: 15506224