++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:30:10 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: ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.ins Phases from ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.phi Native data from ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.hkl Listing output to ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.lst Phases output to ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.phs Poly-Ala trace output to ./2prv-1.3-parrot-hancs/2prv-1.3-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 Allowed origin shift code: 1 69437 Reflections read from file ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.phi 69437 Reflections read from file ./2prv-1.3-parrot-hancs/2prv-1.3-parrot-hancs.hkl 69437 Unique data, highest resolution = 1.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000317h^2 -0.000139k^2 +0.000250l^2 -0.000155kl +0.000334hl +0.000360hk 2101 Reflections with d > 1.500 and 0 in range 1.500 > d > 1.300 added Density sharpening factor set to 1.80 Fourier grid = 128 x 128 x 109 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 48 Extra Fourier layers will be generated <|E^2-1|> = 0.672 = 0.299, Contrast = 0.207, Connect. = 0.718 for dens.mod. cycle 1 = 0.299, Contrast = 0.249, Connect. = 0.692 for dens.mod. cycle 2 = 0.300, Contrast = 0.330, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.379, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.417, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.451, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.479, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.502, Connect. = 0.791 for dens.mod. cycle 8 = 0.300, Contrast = 0.520, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.536, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2811 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 391 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 26.694 2.051 0.903 0.892 1.000 0.818 CB 1.481 B: 13 26.711 1.996 0.902 0.909 1.000 0.917 CB 1.441 12 residues pruned to eliminate duplicates C: 13 19.027 1.901 0.874 0.836 0.917 0.667 CB 1.258 13 residues pruned to eliminate duplicates D: 14 31.817 1.978 1.173 0.916 1.000 0.923 CA 1.450 E: 15 25.575 2.027 0.590 0.883 1.000 0.857 CB 1.534 F: 10 21.880 1.995 0.580 0.886 1.000 0.889 C 1.669 G: 12 29.230 2.040 1.087 0.909 1.000 0.818 CB 1.469 12 residues pruned to eliminate duplicates H: 14 28.283 2.087 0.895 0.897 0.923 0.923 CA 1.539 15 residues pruned to eliminate duplicates I: 14 36.696 2.182 1.063 0.902 1.000 0.769 C 1.612 14 residues pruned to eliminate duplicates J: 13 32.560 2.134 1.060 0.858 1.000 0.917 CA 1.574 14 residues pruned to eliminate duplicates K: 13 19.938 1.929 0.921 0.830 0.917 0.750 CB 1.274 13 residues pruned to eliminate duplicates L: 11 23.741 1.927 0.810 0.898 1.000 0.900 CA 1.540 10 residues pruned to eliminate duplicates M: 16 30.906 1.992 1.056 0.862 0.933 0.867 C 1.533 15 residues pruned to eliminate duplicates N: 12 35.495 2.228 1.068 0.927 1.000 0.909 CA 1.628 12 residues pruned to eliminate duplicates O: 13 28.548 2.003 1.289 0.883 0.917 0.583 CB 1.418 P: 8 12.586 1.945 1.263 0.544 0.857 0.571 CA 1.207 Q: 13 29.390 2.131 1.102 0.928 0.917 0.833 CA 1.447 13 residues pruned to eliminate duplicates R: 10 14.007 1.879 0.267 0.822 1.000 0.778 C 1.484 10 residues pruned to eliminate duplicates S: 12 27.411 2.021 0.944 0.901 1.000 0.818 CB 1.501 12 residues pruned to eliminate duplicates T: 10 19.583 1.981 0.459 0.876 1.000 0.889 C 1.641 10 residues pruned to eliminate duplicates U: 14 33.988 2.148 1.146 0.918 0.923 0.769 CA 1.562 15 residues pruned to eliminate duplicates V: 15 29.619 2.032 0.904 0.948 1.000 1.000 CA 1.413 W: 15 30.915 2.032 1.072 0.910 0.929 0.857 CA 1.498 15 residues pruned to eliminate duplicates X: 14 25.818 1.760 1.255 0.930 1.000 0.769 CB 1.262 14 residues pruned to eliminate duplicates Y: 12 23.250 1.887 0.668 0.899 1.000 0.818 CA 1.592 12 residues pruned to eliminate duplicates Z: 25 26.960 1.995 0.915 0.615 0.875 0.625 CB 1.476 25 residues pruned to eliminate duplicates Z: 16 26.659 1.955 0.615 0.905 1.000 0.800 CA 1.552 Z: 13 25.208 2.118 0.766 0.918 0.917 0.917 CA 1.498 13 residues pruned to eliminate duplicates Z: 14 29.294 2.015 1.038 0.858 1.000 0.769 CA 1.457 14 residues pruned to eliminate duplicates Z: 15 21.287 1.974 0.594 0.895 0.929 0.857 CA 1.395 15 residues pruned to eliminate duplicates Z: 13 31.357 2.060 0.963 0.905 1.000 0.583 C 1.593 13 residues pruned to eliminate duplicates Z: 7 15.642 1.942 1.530 0.750 0.833 0.833 C 1.248 8 residues pruned to eliminate duplicates Z: 13 10.566 1.973 0.914 0.482 0.917 0.750 CB 0.898 Z: 14 28.677 2.053 1.378 0.917 0.923 0.692 CB 1.246 Z: 13 20.771 1.762 1.125 0.874 0.917 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 11 36.694 2.294 1.002 0.929 1.000 0.600 CA 1.768 11 residues pruned to eliminate duplicates Z: 6 6.940 2.030 1.080 0.413 0.600 0.400 CA 1.341 5 residues pruned to eliminate duplicates Z: 12 19.258 1.867 0.555 0.896 1.000 0.909 CA 1.433 12 residues pruned to eliminate duplicates Z: 14 33.090 2.130 0.964 0.901 1.000 0.769 C 1.565 14 residues pruned to eliminate duplicates Z: 14 24.155 2.057 1.136 0.926 1.000 0.769 CB 1.069 14 residues pruned to eliminate duplicates Z: 14 15.678 1.816 0.957 0.849 0.923 0.692 CB 0.983 14 residues pruned to eliminate duplicates Z: 14 30.058 2.095 0.941 0.886 0.923 0.846 CA 1.603 14 residues pruned to eliminate duplicates Z: 7 9.563 1.900 1.184 0.577 0.833 0.667 C 1.048 7 residues pruned to eliminate duplicates Z: 11 7.912 1.604 1.068 0.328 0.700 0.500 CB 1.301 Z: 13 23.827 2.110 1.039 0.932 1.000 0.917 CB 1.116 13 residues pruned to eliminate duplicates Z: 11 16.260 1.908 0.205 0.898 1.000 0.800 CB 1.599 11 residues pruned to eliminate duplicates Z: 14 16.782 1.943 0.719 0.888 0.923 0.846 CB 1.088 14 residues pruned to eliminate duplicates Z: 8 6.726 1.832 0.531 0.410 0.714 0.429 CB 1.395 Z: 14 16.327 1.752 1.130 0.892 0.923 0.538 CB 0.945 14 residues pruned to eliminate duplicates Z: 14 16.896 1.984 0.608 0.890 1.000 0.846 CB 1.057 14 residues pruned to eliminate duplicates Z: 11 15.993 1.924 0.810 0.559 0.900 0.600 CB 1.525 Z: 17 12.611 1.655 0.743 0.447 0.875 0.438 CB 1.319 15 residues pruned to eliminate duplicates Z: 14 31.875 2.093 1.008 0.945 1.000 0.923 CA 1.456 15 residues pruned to eliminate duplicates Z: 15 12.672 1.941 0.757 0.498 0.786 0.571 CB 1.267 13 residues pruned to eliminate duplicates Z: 14 28.799 1.940 1.497 0.927 1.000 0.615 CB 1.156 14 residues pruned to eliminate duplicates Z: 13 23.112 1.886 1.059 0.915 1.000 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 16 27.570 1.982 0.804 0.907 0.933 0.600 C 1.516 16 residues pruned to eliminate duplicates Z: 14 34.585 2.164 1.128 0.906 0.923 0.923 C 1.605 14 residues pruned to eliminate duplicates Z: 13 21.994 1.962 0.628 0.927 1.000 0.833 CB 1.393 13 residues pruned to eliminate duplicates Z: 18 31.068 1.930 0.899 0.931 1.000 0.882 CA 1.437 16 residues pruned to eliminate duplicates Z: 13 22.728 1.842 0.988 0.850 0.917 0.750 CB 1.447 13 residues pruned to eliminate duplicates Z: 17 26.322 1.938 0.715 0.931 1.000 0.938 CB 1.384 18 residues pruned to eliminate duplicates Z: 15 24.798 1.960 0.707 0.935 1.000 1.000 CA 1.380 15 residues pruned to eliminate duplicates Z: 16 25.983 1.946 0.618 0.922 1.000 1.000 CA 1.498 16 residues pruned to eliminate duplicates Z: 7 8.177 1.652 0.167 0.902 1.000 1.000 CA 1.236 Z: 14 25.225 2.060 0.791 0.935 0.923 0.923 CA 1.432 14 residues pruned to eliminate duplicates Z: 8 12.906 1.680 0.599 0.872 1.000 0.714 CB 1.323 8 residues pruned to eliminate duplicates Z: 16 29.264 2.014 0.698 0.948 1.000 1.000 CA 1.526 16 residues pruned to eliminate duplicates Z: 12 37.293 2.162 1.221 0.923 1.000 1.000 CB 1.646 12 residues pruned to eliminate duplicates Z: 9 7.993 1.814 0.555 0.397 0.875 0.500 CA 1.277 Z: 10 14.597 2.056 1.148 0.587 0.889 0.667 CB 1.141 Z: 13 35.062 2.174 0.959 0.934 1.000 1.000 CA 1.658 13 residues pruned to eliminate duplicates Z: 18 25.587 1.856 0.745 0.933 1.000 0.941 CA 1.337 18 residues pruned to eliminate duplicates Z: 13 23.425 1.877 1.056 0.879 1.000 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 16 27.552 1.904 0.761 0.914 1.000 0.933 C 1.500 16 residues pruned to eliminate duplicates Z: 14 25.003 2.058 1.342 0.915 0.923 0.769 CB 1.102 14 residues pruned to eliminate duplicates 6 1.936 1.610 -0.092 0.526 0.800 0.600 CB 0.721 ? Z: 13 38.197 2.185 1.198 0.878 1.000 0.833 CA 1.666 13 residues pruned to eliminate duplicates Z: 17 21.270 1.877 0.523 0.937 0.938 0.812 CA 1.380 17 residues pruned to eliminate duplicates Z: 18 29.362 1.897 0.935 0.951 1.000 0.824 CB 1.336 17 residues pruned to eliminate duplicates Z: 11 14.514 1.793 1.136 0.638 1.000 0.700 CB 1.053 10 residues pruned to eliminate duplicates Z: 11 20.139 1.770 0.701 0.837 1.000 0.700 CB 1.582 10 residues pruned to eliminate duplicates Z: 14 23.897 2.078 1.118 0.901 1.000 0.923 CB 1.075 14 residues pruned to eliminate duplicates Z: 13 22.103 1.882 0.845 0.903 1.000 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 17 9.835 1.827 0.863 0.421 0.812 0.500 CB 0.965 17 residues pruned to eliminate duplicates Z: 14 12.864 1.908 1.041 0.476 0.923 0.462 CB 1.017 11 residues pruned to eliminate duplicates Z: 8 6.617 1.602 0.668 0.391 1.000 0.571 CB 1.050 Z: 13 30.543 2.118 0.991 0.920 0.917 0.917 CA 1.607 13 residues pruned to eliminate duplicates Z: 7 9.276 1.656 0.399 0.868 1.000 1.000 CB 1.195 7 residues pruned to eliminate duplicates Z: 12 23.586 1.989 0.682 0.906 1.000 0.909 CB 1.512 12 residues pruned to eliminate duplicates Z: 6 7.757 1.350 0.801 0.768 1.000 0.600 N 1.125 Z: 6 17.486 2.230 0.781 0.877 1.000 0.800 CB 1.429 6 residues pruned to eliminate duplicates Z: 9 11.045 1.787 0.368 0.898 1.000 0.750 CA 1.143 Z: 18 11.794 1.546 0.688 0.796 0.824 0.706 CB 1.027 7 residues pruned to eliminate duplicates Z: 9 5.725 1.863 0.638 0.549 0.625 0.500 CB 1.012 9 residues pruned to eliminate duplicates Z: 11 5.838 1.392 0.745 0.420 0.900 0.800 C 0.918 11 residues pruned to eliminate duplicates Z: 13 32.356 2.161 0.852 0.903 1.000 0.667 CA 1.663 13 residues pruned to eliminate duplicates Z: 9 10.158 1.675 0.546 0.885 1.000 0.875 CA 1.002 9 residues pruned to eliminate duplicates Z: 9 11.401 1.690 0.731 0.915 1.000 0.750 CA 0.974 9 residues pruned to eliminate duplicates Z: 13 7.161 1.630 0.582 0.469 0.917 0.500 CB 0.902 14 residues pruned to eliminate duplicates Z: 12 26.670 2.015 0.967 0.921 1.000 1.000 CB 1.428 12 residues pruned to eliminate duplicates Z: 9 6.576 1.564 0.533 0.424 0.875 0.625 CA 1.199 10 residues pruned to eliminate duplicates Z: 13 22.085 2.103 1.285 0.899 0.917 0.750 CB 1.035 13 residues pruned to eliminate duplicates Z: 7 11.491 1.946 0.704 0.424 1.000 0.667 C 1.532 7 residues pruned to eliminate duplicates Z: 8 9.571 1.737 0.378 0.874 1.000 1.000 CA 1.100 8 residues pruned to eliminate duplicates Z: 12 16.765 1.871 0.653 0.755 1.000 0.727 CB 1.303 11 residues pruned to eliminate duplicates Z: 17 20.847 1.911 0.469 0.919 0.938 0.875 CB 1.395 17 residues pruned to eliminate duplicates Z: 6 8.493 1.628 0.693 0.690 1.000 0.600 CA 1.158 5 residues pruned to eliminate duplicates Z: 7 10.217 1.789 0.547 0.764 1.000 0.667 CB 1.192 7 residues pruned to eliminate duplicates Z: 14 30.625 2.095 0.954 0.890 0.923 0.846 C 1.617 14 residues pruned to eliminate duplicates Z: 10 19.745 2.170 0.987 0.648 1.000 0.667 CB 1.329 12 residues pruned to eliminate duplicates Z: 14 17.788 1.851 0.637 0.814 0.923 0.692 CB 1.342 14 residues pruned to eliminate duplicates Z: 19 15.685 1.525 0.773 0.850 1.000 0.778 CB 1.012 18 residues pruned to eliminate duplicates Z: 10 9.153 1.782 0.272 0.665 1.000 0.889 CB 1.156 9 residues pruned to eliminate duplicates Z: 11 11.727 1.829 0.683 0.529 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 16 28.378 1.964 1.017 0.956 1.000 1.000 CA 1.271 16 residues pruned to eliminate duplicates Z: 7 7.742 1.890 0.405 0.362 1.000 0.500 CA 1.382 7 residues pruned to eliminate duplicates Z: 16 21.576 1.963 0.379 0.934 1.000 1.000 CB 1.435 16 residues pruned to eliminate duplicates Z: 12 21.013 1.942 0.830 0.864 1.000 0.909 CB 1.307 12 residues pruned to eliminate duplicates Z: 27 19.527 1.998 0.715 0.524 0.923 0.731 CB 1.182 20 residues pruned to eliminate duplicates Z: 12 26.557 2.012 0.963 0.925 1.000 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 19 36.037 2.092 1.117 0.719 1.000 0.722 CB 1.572 18 residues pruned to eliminate duplicates Z: 10 12.551 1.749 0.599 0.889 1.000 0.889 CA 1.078 9 residues pruned to eliminate duplicates Z: 17 30.701 1.921 1.169 0.925 1.000 0.875 CA 1.293 14 residues pruned to eliminate duplicates Z: 16 26.625 1.985 0.814 0.948 1.000 0.933 CA 1.319 16 residues pruned to eliminate duplicates Z: 13 26.309 1.946 0.983 0.874 0.917 0.750 CA 1.563 13 residues pruned to eliminate duplicates Z: 15 27.500 1.971 0.719 0.930 1.000 0.929 CA 1.517 15 residues pruned to eliminate duplicates Z: 10 15.140 2.073 1.396 0.615 0.889 0.778 CB 1.026 10 residues pruned to eliminate duplicates Z: 8 16.766 2.100 1.125 0.573 1.000 0.571 CB 1.324 10 residues pruned to eliminate duplicates Z: 18 19.042 1.874 0.284 0.934 1.000 1.000 CA 1.339 18 residues pruned to eliminate duplicates Z: 6 3.393 1.779 0.881 0.535 0.600 0.400 CB 0.730 6 residues pruned to eliminate duplicates Z: 6 3.889 1.544 0.210 0.426 1.000 0.800 CB 1.006 Z: 16 26.916 1.961 0.989 0.933 1.000 0.933 CA 1.244 16 residues pruned to eliminate duplicates Z: 16 27.196 1.941 1.081 0.925 0.933 0.733 CA 1.307 16 residues pruned to eliminate duplicates Z: 12 23.899 2.007 0.772 0.899 1.000 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 13 3.290 1.786 0.403 0.316 0.667 0.583 CB 0.696 13 residues pruned to eliminate duplicates Z: 17 23.120 1.918 0.662 0.944 1.000 1.000 CA 1.255 17 residues pruned to eliminate duplicates Z: 36 26.438 1.788 0.978 0.651 0.914 0.657 CB 1.201 33 residues pruned to eliminate duplicates Z: 6 11.080 1.641 0.802 0.889 1.000 1.000 CB 1.207 7 residues pruned to eliminate duplicates Z: 8 10.669 1.648 0.377 0.897 1.000 0.857 C 1.272 8 residues pruned to eliminate duplicates Z: 10 12.957 1.979 0.253 0.617 1.000 1.000 CB 1.559 9 residues pruned to eliminate duplicates Z: 16 26.012 2.028 0.529 0.943 1.000 1.000 CA 1.501 16 residues pruned to eliminate duplicates Z: 15 14.418 1.913 0.991 0.571 0.929 0.500 CB 1.018 13 residues pruned to eliminate duplicates Z: 17 15.458 1.629 0.625 0.876 0.938 0.938 CB 1.131 17 residues pruned to eliminate duplicates Z: 11 11.280 1.987 0.552 0.486 0.800 0.500 CB 1.466 8 residues pruned to eliminate duplicates Z: 20 26.229 2.015 0.867 0.598 0.947 0.579 CA 1.538 20 residues pruned to eliminate duplicates Z: 7 6.136 1.886 0.807 0.354 0.833 0.500 N 1.033 7 residues pruned to eliminate duplicates Z: 18 29.554 1.927 0.794 0.936 1.000 0.882 CA 1.443 18 residues pruned to eliminate duplicates Z: 14 8.097 1.619 0.685 0.349 0.923 0.692 CB 1.051 14 residues pruned to eliminate duplicates Z: 13 19.551 1.851 0.783 0.893 1.000 0.917 CB 1.227 12 residues pruned to eliminate duplicates Z: 16 8.492 1.496 0.088 0.848 0.933 0.867 CB 1.071 16 residues pruned to eliminate duplicates Z: 7 3.526 1.514 0.304 0.250 0.833 0.500 C 1.167 6 residues pruned to eliminate duplicates Z: 12 8.966 1.467 0.489 0.824 1.000 0.818 C 0.935 12 residues pruned to eliminate duplicates Z: 6 2.774 1.544 0.121 0.433 0.800 0.600 CB 0.961 6 residues pruned to eliminate duplicates Z: 17 23.450 1.920 0.728 0.678 0.938 0.812 C 1.601 16 residues pruned to eliminate duplicates Z: 14 25.671 2.048 0.881 0.926 0.923 0.923 CA 1.404 14 residues pruned to eliminate duplicates Z: 7 19.094 2.071 1.391 0.865 1.000 0.500 CB 1.153 7 residues pruned to eliminate duplicates Z: 9 6.403 2.029 0.099 0.307 0.875 0.375 CB 1.439 7 residues pruned to eliminate duplicates Z: 12 10.843 1.926 0.448 0.560 0.909 0.727 CB 1.216 12 residues pruned to eliminate duplicates Z: 7 11.996 1.951 0.673 0.554 0.833 0.833 CA 1.707 5 residues pruned to eliminate duplicates Z: 6 4.454 1.430 0.628 0.782 0.800 0.800 CB 0.834 6 residues pruned to eliminate duplicates Z: 11 23.768 2.014 0.842 0.905 1.000 0.300 CA 1.442 11 residues pruned to eliminate duplicates Z: 6 7.731 1.603 0.281 0.878 1.000 1.000 CA 1.222 6 residues pruned to eliminate duplicates Z: 10 6.706 1.612 0.292 0.840 0.889 0.444 CA 0.901 10 residues pruned to eliminate duplicates Z: 6 10.609 1.634 0.818 0.863 1.000 1.000 CB 1.172 6 residues pruned to eliminate duplicates Z: 17 10.552 1.645 0.534 0.510 0.875 0.562 CB 1.183 18 residues pruned to eliminate duplicates Z: 13 40.353 2.175 1.170 0.924 1.000 0.917 CA 1.733 15 residues pruned to eliminate duplicates Z: 14 31.889 1.981 1.570 0.942 1.000 0.615 CB 1.205 14 residues pruned to eliminate duplicates Z: 9 2.710 1.269 0.073 0.393 0.875 0.750 CB 0.901 7 1.468 1.306 0.212 0.292 0.667 0.500 N 0.717 ? Z: 18 14.896 1.504 0.797 0.777 1.000 0.647 CA 1.046 18 residues pruned to eliminate duplicates Z: 13 18.214 1.952 0.766 0.861 0.917 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 17 23.207 1.989 0.501 0.935 1.000 1.000 CB 1.355 17 residues pruned to eliminate duplicates 6 1.585 1.519 -0.068 0.380 1.000 0.600 CB 0.569 ? Z: 7 3.365 1.694 0.519 0.248 0.667 0.667 CA 1.071 7 residues pruned to eliminate duplicates 7 1.527 1.144 0.881 0.083 0.667 0.333 N 0.745 ? Z: 13 5.334 1.705 0.533 0.197 0.833 0.500 CB 1.014 13 residues pruned to eliminate duplicates Z: 7 11.125 1.829 0.587 0.874 1.000 1.000 CA 1.139 7 residues pruned to eliminate duplicates Z: 10 12.477 1.807 0.581 0.918 1.000 1.000 CA 1.027 11 residues pruned to eliminate duplicates Z: 15 10.437 1.732 0.682 0.392 0.857 0.500 CB 1.253 8 residues pruned to eliminate duplicates Z: 9 8.105 1.664 0.510 0.540 0.875 0.625 CB 1.253 9 residues pruned to eliminate duplicates Z: 10 4.904 1.626 0.528 0.565 1.000 0.444 CB 0.618 Z: 6 2.192 1.413 0.598 0.437 0.600 0.400 N 0.772 5 residues pruned to eliminate duplicates Z: 7 10.463 1.742 1.380 0.533 0.833 0.500 CA 1.196 7 residues pruned to eliminate duplicates Z: 10 5.389 1.551 0.227 0.478 0.778 0.667 C 1.240 10 residues pruned to eliminate duplicates Z: 14 9.588 2.045 0.429 0.463 0.769 0.462 CB 1.229 14 residues pruned to eliminate duplicates Z: 9 3.700 1.416 0.605 0.278 0.750 0.375 CA 0.986 9 residues pruned to eliminate duplicates Z: 11 8.708 1.554 0.371 0.781 0.900 0.600 CA 1.121 11 residues pruned to eliminate duplicates Z: 6 3.752 1.482 0.660 0.767 0.800 0.600 CB 0.673 6 residues pruned to eliminate duplicates Z: 15 27.521 1.904 1.175 0.881 0.929 0.786 CA 1.386 15 residues pruned to eliminate duplicates Z: 11 26.723 1.944 1.140 0.933 1.000 1.000 CB 1.417 11 residues pruned to eliminate duplicates Z: 10 11.788 2.127 0.803 0.390 0.778 0.556 C 1.480 10 residues pruned to eliminate duplicates Z: 18 32.512 1.924 1.006 0.941 1.000 0.941 CA 1.417 18 residues pruned to eliminate duplicates Z: 10 10.959 1.899 1.024 0.465 0.889 0.556 CB 1.109 10 residues pruned to eliminate duplicates Z: 38 33.396 1.882 0.775 0.691 0.973 0.676 CB 1.418 56 residues pruned to eliminate duplicates Z: 11 6.971 1.872 0.293 0.288 0.800 0.200 CB 1.444 9 residues pruned to eliminate duplicates Z: 13 25.056 1.948 0.794 0.895 1.000 0.917 CB 1.483 14 residues pruned to eliminate duplicates Z: 11 20.143 1.862 1.157 0.880 0.900 0.500 CB 1.277 11 residues pruned to eliminate duplicates Z: 9 11.584 1.757 0.647 0.876 0.875 0.875 CA 1.175 9 residues pruned to eliminate duplicates Z: 9 6.950 1.758 1.106 0.224 0.875 0.375 CB 1.047 9 residues pruned to eliminate duplicates Z: 15 25.948 1.837 0.973 0.886 1.000 0.714 CA 1.381 15 residues pruned to eliminate duplicates Z: 10 4.151 1.342 0.439 0.321 0.778 0.556 CB 1.122 8 residues pruned to eliminate duplicates Z: 12 18.508 1.723 1.423 0.836 1.000 0.727 CB 1.000 12 residues pruned to eliminate duplicates Z: 13 17.496 1.886 0.842 0.821 0.917 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 20 11.449 1.531 0.657 0.699 0.947 0.684 CB 0.911 20 residues pruned to eliminate duplicates Z: 12 20.235 2.045 0.723 0.729 1.000 0.909 CA 1.409 12 residues pruned to eliminate duplicates 6 1.961 1.421 0.129 0.613 0.800 0.600 CA 0.614 ? Z: 17 27.802 1.908 0.741 0.928 1.000 1.000 CA 1.465 Z: 7 4.074 1.944 0.145 0.150 1.000 0.833 CB 1.150 7 residues pruned to eliminate duplicates Z: 6 2.692 1.312 0.786 0.295 0.800 0.600 CB 0.809 Z: 12 21.940 2.075 0.743 0.905 0.909 0.545 CA 1.432 12 residues pruned to eliminate duplicates Z: 13 4.342 1.611 0.460 0.309 0.667 0.500 CA 0.988 13 residues pruned to eliminate duplicates Z: 7 2.208 1.246 0.418 0.287 0.833 0.333 N 0.778 6 1.001 1.157 0.171 0.297 0.600 0.400 CB 0.691 ? 229 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 12 D: 23 E: 25 F: 35 G: 10 H: 6 I: 36 J: 15 K: 14 L: 17 M: 13 N: 8 CC for partial structure against native data = 27.70 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.394, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.556, Connect. = 0.818 for dens.mod. cycle 3 = 0.300, Contrast = 0.570, Connect. = 0.824 for dens.mod. cycle 4 = 0.300, Contrast = 0.584, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 0.592, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.599, Connect. = 0.837 for dens.mod. cycle 7 = 0.300, Contrast = 0.604, Connect. = 0.839 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.841 for dens.mod. cycle 9 = 0.300, Contrast = 0.611, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2155 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 430 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 48.326 2.465 0.868 0.843 1.000 0.786 C 2.089 B: 14 45.148 2.498 0.639 0.924 1.000 0.923 C 2.148 14 residues pruned to eliminate duplicates C: 14 49.755 2.550 0.865 0.925 1.000 1.000 CA 2.036 15 residues pruned to eliminate duplicates D: 14 56.906 2.578 1.247 0.919 0.923 0.923 C 2.080 15 residues pruned to eliminate duplicates E: 15 43.824 2.391 0.906 0.905 0.929 0.929 CB 1.970 15 residues pruned to eliminate duplicates F: 15 43.425 2.441 0.997 0.895 0.857 0.857 CA 1.991 G: 14 41.994 2.463 0.817 0.934 0.923 0.846 C 1.967 14 residues pruned to eliminate duplicates H: 14 43.342 2.445 0.673 0.925 1.000 1.000 CA 2.063 14 residues pruned to eliminate duplicates I: 14 44.223 2.469 1.028 0.896 0.923 0.769 C 1.902 14 residues pruned to eliminate duplicates J: 14 50.532 2.458 0.940 0.905 1.000 0.846 C 2.092 14 residues pruned to eliminate duplicates K: 14 47.958 2.586 0.887 0.905 0.923 0.846 C 2.102 14 residues pruned to eliminate duplicates L: 18 46.262 2.514 0.590 0.941 1.000 0.882 CA 1.948 M: 14 30.218 2.313 0.595 0.939 1.000 1.000 CB 1.579 N: 16 43.462 2.323 0.986 0.833 0.933 0.867 C 1.954 16 residues pruned to eliminate duplicates O: 15 43.779 2.345 0.773 0.925 1.000 1.000 CA 1.974 15 residues pruned to eliminate duplicates P: 14 44.244 2.470 1.292 0.937 0.923 0.692 CB 1.634 Q: 10 16.787 2.289 1.435 0.416 0.889 0.667 CB 1.232 R: 14 39.942 2.492 1.148 0.927 0.923 0.692 CB 1.572 14 residues pruned to eliminate duplicates S: 17 44.434 2.449 0.764 0.941 1.000 0.938 CA 1.785 17 residues pruned to eliminate duplicates T: 15 41.496 2.352 0.837 0.897 0.929 0.714 CA 1.979 15 residues pruned to eliminate duplicates U: 10 8.468 2.043 0.834 0.397 0.778 0.556 CB 1.079 V: 13 38.508 2.430 0.853 0.930 1.000 0.917 CB 1.726 14 residues pruned to eliminate duplicates W: 14 59.169 2.478 1.234 0.934 1.000 0.846 CA 2.067 15 residues pruned to eliminate duplicates X: 13 35.250 2.410 0.702 0.930 1.000 1.000 CB 1.736 13 residues pruned to eliminate duplicates Y: 13 54.860 2.608 1.352 0.939 1.000 0.917 CB 1.794 13 residues pruned to eliminate duplicates Z: 15 54.190 2.441 1.107 0.903 1.000 0.786 C 2.007 15 residues pruned to eliminate duplicates Z: 13 38.483 2.471 0.753 0.923 1.000 0.750 CB 1.802 13 residues pruned to eliminate duplicates Z: 17 44.343 2.298 1.019 0.847 0.938 0.750 CA 1.892 16 residues pruned to eliminate duplicates Z: 45 41.499 2.430 0.803 0.432 0.886 0.545 CB 1.729 26 residues pruned to eliminate duplicates Z: 15 51.908 2.364 1.360 0.914 0.929 0.857 CB 1.893 15 residues pruned to eliminate duplicates Z: 15 57.260 2.536 1.151 0.922 0.929 0.714 CA 2.124 15 residues pruned to eliminate duplicates Z: 16 58.603 2.398 1.293 0.828 1.000 0.867 C 2.073 16 residues pruned to eliminate duplicates Z: 15 52.893 2.506 1.030 0.933 0.929 0.857 CA 2.089 15 residues pruned to eliminate duplicates Z: 13 34.892 2.508 0.887 0.918 0.917 0.833 CB 1.637 13 residues pruned to eliminate duplicates Z: 16 45.603 2.323 0.997 0.912 0.933 0.600 CA 1.926 16 residues pruned to eliminate duplicates Z: 15 50.704 2.393 1.104 0.919 1.000 0.929 CB 1.897 15 residues pruned to eliminate duplicates Z: 14 45.808 2.466 1.167 0.931 1.000 0.846 CB 1.661 14 residues pruned to eliminate duplicates Z: 19 44.027 2.420 0.728 0.892 1.000 0.722 CA 1.782 19 residues pruned to eliminate duplicates Z: 18 57.368 2.548 0.886 0.954 1.000 0.941 CA 1.991 18 residues pruned to eliminate duplicates Z: 18 46.736 2.514 0.600 0.953 1.000 0.824 CA 1.939 18 residues pruned to eliminate duplicates Z: 14 35.669 2.476 0.752 0.923 1.000 0.923 CB 1.602 14 residues pruned to eliminate duplicates Z: 11 22.226 2.365 0.254 0.875 0.900 0.900 CB 1.916 Z: 14 37.682 2.470 0.930 0.940 1.000 1.000 CB 1.523 14 residues pruned to eliminate duplicates Z: 16 50.219 2.458 0.982 0.906 0.933 0.733 C 2.027 16 residues pruned to eliminate duplicates Z: 13 41.764 2.463 0.927 0.918 1.000 0.750 CB 1.791 13 residues pruned to eliminate duplicates Z: 12 30.340 2.338 0.485 0.878 1.000 0.818 CB 1.912 11 residues pruned to eliminate duplicates Z: 12 31.113 2.238 0.683 0.864 1.000 0.727 CA 1.825 13 residues pruned to eliminate duplicates Z: 14 51.214 2.600 1.009 0.902 0.923 0.923 C 2.102 14 residues pruned to eliminate duplicates Z: 17 37.956 2.488 0.365 0.949 1.000 1.000 CB 1.928 Z: 19 46.376 2.401 0.898 0.910 0.944 0.722 CA 1.801 19 residues pruned to eliminate duplicates Z: 17 31.555 2.189 0.892 0.826 0.875 0.750 CB 1.642 Z: 18 47.009 2.414 0.710 0.936 1.000 1.000 CB 1.923 17 residues pruned to eliminate duplicates Z: 18 41.922 2.419 0.577 0.948 1.000 1.000 CB 1.841 18 residues pruned to eliminate duplicates Z: 17 56.529 2.525 0.982 0.950 1.000 0.938 CB 1.947 17 residues pruned to eliminate duplicates Z: 18 46.099 2.428 0.671 0.941 1.000 0.941 CB 1.913 18 residues pruned to eliminate duplicates Z: 15 64.134 2.550 1.364 0.929 0.929 0.643 CA 2.143 15 residues pruned to eliminate duplicates Z: 17 51.148 2.525 0.766 0.939 1.000 0.938 CB 1.994 17 residues pruned to eliminate duplicates Z: 18 49.751 2.417 0.857 0.944 1.000 0.882 CB 1.862 18 residues pruned to eliminate duplicates Z: 11 32.881 2.390 0.576 0.929 1.000 0.700 C 1.932 11 residues pruned to eliminate duplicates Z: 18 48.038 2.386 0.750 0.949 1.000 1.000 CB 1.926 18 residues pruned to eliminate duplicates Z: 15 31.953 2.118 0.841 0.932 1.000 0.929 CB 1.530 15 residues pruned to eliminate duplicates Z: 12 23.369 2.210 0.571 0.880 1.000 0.545 CA 1.471 Z: 10 13.222 2.319 1.090 0.422 0.667 0.444 CB 1.479 10 residues pruned to eliminate duplicates Z: 18 42.751 2.392 0.582 0.926 1.000 0.882 CB 1.921 18 residues pruned to eliminate duplicates Z: 18 45.237 2.423 0.638 0.938 1.000 0.882 CB 1.922 18 residues pruned to eliminate duplicates Z: 11 12.841 1.816 0.555 0.746 1.000 0.800 CB 1.155 11 residues pruned to eliminate duplicates Z: 14 52.204 2.479 1.459 0.938 1.000 0.385 CB 1.652 14 residues pruned to eliminate duplicates Z: 38 43.785 2.502 1.044 0.453 0.838 0.486 CB 1.763 36 residues pruned to eliminate duplicates Z: 19 45.594 2.248 0.856 0.929 1.000 0.667 CB 1.803 19 residues pruned to eliminate duplicates Z: 14 40.151 2.336 0.921 0.904 1.000 0.692 CB 1.767 17 residues pruned to eliminate duplicates Z: 14 57.113 2.526 1.354 0.907 1.000 0.692 C 1.894 14 residues pruned to eliminate duplicates Z: 13 32.483 2.259 0.607 0.888 1.000 0.833 C 1.862 13 residues pruned to eliminate duplicates Z: 14 33.266 2.469 0.623 0.938 1.000 1.000 CB 1.601 14 residues pruned to eliminate duplicates Z: 31 26.013 2.022 0.805 0.503 1.000 0.633 CB 1.297 7 residues pruned to eliminate duplicates Z: 18 47.994 2.418 0.711 0.952 1.000 0.882 CB 1.938 18 residues pruned to eliminate duplicates Z: 14 42.574 2.477 1.157 0.931 1.000 0.846 CB 1.544 14 residues pruned to eliminate duplicates Z: 13 24.957 2.219 0.522 0.851 0.917 0.833 C 1.722 13 residues pruned to eliminate duplicates Z: 15 52.936 2.373 1.218 0.903 1.000 0.643 CB 1.915 15 residues pruned to eliminate duplicates Z: 13 34.339 2.452 0.623 0.927 1.000 0.917 CB 1.747 13 residues pruned to eliminate duplicates Z: 19 49.679 2.481 0.775 0.904 1.000 0.778 CA 1.895 19 residues pruned to eliminate duplicates Z: 12 26.881 2.252 0.506 0.909 1.000 1.000 CA 1.697 11 residues pruned to eliminate duplicates Z: 18 48.096 2.444 0.693 0.943 1.000 0.765 CB 1.953 18 residues pruned to eliminate duplicates Z: 14 33.211 2.453 0.645 0.929 1.000 1.000 CB 1.598 14 residues pruned to eliminate duplicates Z: 18 47.653 2.429 0.714 0.927 1.000 0.941 CB 1.946 18 residues pruned to eliminate duplicates Z: 12 25.542 2.266 0.371 0.875 1.000 0.727 CB 1.803 12 residues pruned to eliminate duplicates Z: 18 43.650 2.428 0.734 0.922 0.941 0.765 CB 1.878 18 residues pruned to eliminate duplicates Z: 16 44.369 2.371 1.081 0.888 0.867 0.867 C 1.930 16 residues pruned to eliminate duplicates Z: 52 58.097 2.333 0.733 0.704 0.941 0.706 CB 1.775 25 residues pruned to eliminate duplicates Z: 31 48.596 2.650 0.796 0.565 0.900 0.667 CB 1.945 31 residues pruned to eliminate duplicates Z: 18 46.074 2.507 0.600 0.943 1.000 0.882 CB 1.931 18 residues pruned to eliminate duplicates Z: 14 35.865 2.462 0.712 0.931 1.000 0.923 CB 1.650 14 residues pruned to eliminate duplicates Z: 13 26.253 2.404 0.284 0.925 1.000 1.000 CB 1.722 13 residues pruned to eliminate duplicates Z: 13 39.525 2.450 0.827 0.910 1.000 0.667 CB 1.808 13 residues pruned to eliminate duplicates Z: 19 54.763 2.472 0.934 0.941 1.000 0.889 CA 1.873 19 residues pruned to eliminate duplicates Z: 15 20.463 2.335 0.829 0.505 0.786 0.571 CB 1.622 15 residues pruned to eliminate duplicates Z: 20 42.315 2.351 0.702 0.920 1.000 0.895 CA 1.708 20 residues pruned to eliminate duplicates Z: 18 40.788 2.371 0.520 0.938 1.000 0.941 CB 1.908 18 residues pruned to eliminate duplicates Z: 14 47.212 2.502 1.053 0.910 0.923 0.769 CA 1.960 14 residues pruned to eliminate duplicates Z: 15 49.596 2.427 1.132 0.884 0.929 0.857 CA 1.993 15 residues pruned to eliminate duplicates Z: 12 28.941 2.297 0.813 0.607 1.000 0.636 C 1.893 Z: 17 42.103 2.475 0.645 0.948 1.000 1.000 CA 1.785 17 residues pruned to eliminate duplicates Z: 17 13.216 2.064 0.659 0.402 0.750 0.500 CB 1.427 Z: 19 40.125 2.390 0.548 0.889 1.000 0.889 CA 1.840 19 residues pruned to eliminate duplicates Z: 19 39.791 2.272 1.014 0.784 0.889 0.722 CA 1.795 15 residues pruned to eliminate duplicates Z: 18 44.308 2.444 0.557 0.942 1.000 1.000 CB 1.959 18 residues pruned to eliminate duplicates Z: 18 39.507 2.382 0.676 0.940 0.941 0.941 CB 1.771 18 residues pruned to eliminate duplicates Z: 12 24.190 2.028 0.708 0.864 1.000 0.909 CA 1.543 12 residues pruned to eliminate duplicates Z: 17 44.438 2.514 0.624 0.936 1.000 0.812 CB 1.894 17 residues pruned to eliminate duplicates Z: 42 32.125 2.119 0.743 0.411 0.927 0.610 CB 1.608 29 residues pruned to eliminate duplicates Z: 17 55.961 2.498 0.998 0.943 1.000 0.812 CB 1.942 17 residues pruned to eliminate duplicates Z: 13 27.116 2.143 1.033 0.580 0.917 0.750 CB 1.815 13 residues pruned to eliminate duplicates Z: 19 52.026 2.460 0.917 0.929 1.000 0.889 CA 1.819 18 residues pruned to eliminate duplicates Z: 17 29.909 2.064 0.680 0.833 1.000 0.688 CB 1.618 17 residues pruned to eliminate duplicates Z: 52 70.943 2.515 0.862 0.677 0.961 0.706 CB 1.875 46 residues pruned to eliminate duplicates Z: 32 29.884 2.160 0.740 0.479 0.935 0.581 CB 1.559 32 residues pruned to eliminate duplicates Z: 19 48.296 2.269 0.891 0.932 1.000 0.722 CB 1.853 19 residues pruned to eliminate duplicates Z: 12 18.408 2.054 0.390 0.907 0.909 0.818 CA 1.519 12 residues pruned to eliminate duplicates Z: 14 28.600 2.077 0.666 0.946 1.000 0.923 CB 1.585 14 residues pruned to eliminate duplicates Z: 14 33.641 2.474 0.656 0.937 1.000 0.923 CB 1.585 14 residues pruned to eliminate duplicates Z: 12 26.939 2.263 0.876 0.593 0.909 0.636 C 1.925 12 residues pruned to eliminate duplicates Z: 40 24.477 2.161 0.733 0.334 0.846 0.462 CB 1.483 40 residues pruned to eliminate duplicates Z: 12 20.041 1.994 0.569 0.858 0.909 0.909 CA 1.564 12 residues pruned to eliminate duplicates Z: 10 30.576 2.393 0.793 0.811 1.000 1.000 CA 1.812 10 residues pruned to eliminate duplicates Z: 12 29.969 2.350 0.465 0.883 1.000 0.818 CA 1.898 12 residues pruned to eliminate duplicates Z: 18 32.205 2.126 0.762 0.852 0.941 0.824 CA 1.639 18 residues pruned to eliminate duplicates Z: 11 34.110 2.412 0.557 0.935 1.000 1.000 CB 2.002 11 residues pruned to eliminate duplicates Z: 17 44.053 2.464 0.606 0.939 1.000 1.000 CB 1.935 17 residues pruned to eliminate duplicates Z: 26 26.037 2.143 0.711 0.476 0.920 0.520 CB 1.582 26 residues pruned to eliminate duplicates Z: 30 22.771 2.071 0.789 0.470 0.828 0.552 CB 1.422 30 residues pruned to eliminate duplicates Z: 16 33.925 2.038 0.797 0.896 1.000 0.867 CB 1.713 16 residues pruned to eliminate duplicates Z: 12 33.557 2.243 0.902 0.883 1.000 0.818 CA 1.715 12 residues pruned to eliminate duplicates Z: 33 35.508 2.178 0.648 0.584 0.938 0.750 CB 1.720 25 residues pruned to eliminate duplicates Z: 12 37.462 2.513 0.782 0.906 1.000 0.909 CB 1.793 12 residues pruned to eliminate duplicates Z: 17 33.532 2.499 0.212 0.955 1.000 0.938 CB 1.901 17 residues pruned to eliminate duplicates Z: 23 32.032 2.109 0.673 0.722 0.909 0.818 CA 1.742 23 residues pruned to eliminate duplicates Z: 10 19.362 2.319 0.857 0.618 0.889 0.889 CB 1.508 10 residues pruned to eliminate duplicates Z: 14 34.580 2.296 0.984 0.944 1.000 0.846 CB 1.458 14 residues pruned to eliminate duplicates Z: 14 13.917 2.398 0.815 0.403 0.692 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 9 10.450 2.178 0.298 0.424 0.875 0.625 CB 1.618 3 residues pruned to eliminate duplicates Z: 11 25.845 2.186 0.487 0.906 1.000 0.900 CA 1.789 11 residues pruned to eliminate duplicates Z: 11 23.430 2.198 0.470 0.929 1.000 0.800 CA 1.605 11 residues pruned to eliminate duplicates Z: 12 22.840 2.168 0.690 0.842 1.000 0.727 CA 1.401 13 residues pruned to eliminate duplicates Z: 15 32.399 2.145 0.822 0.848 1.000 0.786 CB 1.643 15 residues pruned to eliminate duplicates Z: 17 60.049 2.543 1.035 0.959 1.000 1.000 CA 1.988 25 residues pruned to eliminate duplicates Z: 14 35.462 2.294 0.852 0.918 1.000 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 17 53.594 2.488 0.937 0.949 1.000 0.938 CB 1.920 17 residues pruned to eliminate duplicates Z: 17 38.587 2.349 0.792 0.826 1.000 0.812 CB 1.728 16 residues pruned to eliminate duplicates Z: 14 62.306 2.594 1.348 0.917 0.923 0.769 C 2.170 14 residues pruned to eliminate duplicates Z: 19 41.994 2.289 0.887 0.803 1.000 0.778 CA 1.758 18 residues pruned to eliminate duplicates Z: 11 26.887 2.219 0.399 0.890 1.000 0.900 CA 1.971 11 residues pruned to eliminate duplicates Z: 23 12.074 1.926 0.535 0.327 0.818 0.500 CB 1.286 23 residues pruned to eliminate duplicates Z: 13 27.550 2.118 0.991 0.912 1.000 0.667 CB 1.336 13 residues pruned to eliminate duplicates Z: 12 38.210 2.570 0.708 0.919 1.000 0.818 CB 1.850 12 residues pruned to eliminate duplicates Z: 30 41.493 2.436 0.867 0.573 0.897 0.586 CB 1.761 27 residues pruned to eliminate duplicates Z: 7 10.800 2.081 1.096 0.515 0.667 0.500 C 1.494 7 residues pruned to eliminate duplicates Z: 17 39.638 2.439 0.485 0.944 0.938 0.938 CB 2.022 17 residues pruned to eliminate duplicates Z: 18 48.572 2.391 0.831 0.934 1.000 0.706 CA 1.876 18 residues pruned to eliminate duplicates Z: 7 14.864 2.023 0.361 0.763 1.000 0.667 CA 1.744 7 residues pruned to eliminate duplicates Z: 16 34.848 2.216 0.797 0.869 0.933 0.800 CB 1.769 16 residues pruned to eliminate duplicates Z: 13 23.947 1.916 0.826 0.927 1.000 0.917 C 1.384 13 residues pruned to eliminate duplicates Z: 15 47.765 2.527 0.951 0.897 0.929 0.714 C 1.995 15 residues pruned to eliminate duplicates Z: 6 9.241 1.895 0.637 0.698 0.800 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 19 41.297 2.377 0.660 0.895 1.000 0.778 CA 1.768 19 residues pruned to eliminate duplicates Z: 15 19.311 2.031 1.017 0.487 0.857 0.714 C 1.490 15 residues pruned to eliminate duplicates Z: 13 29.883 2.480 0.487 0.918 1.000 0.917 CB 1.648 13 residues pruned to eliminate duplicates Z: 15 11.234 1.993 0.537 0.308 0.714 0.429 CB 1.698 15 residues pruned to eliminate duplicates Z: 18 32.674 2.101 0.678 0.866 1.000 0.588 CB 1.646 18 residues pruned to eliminate duplicates Z: 20 34.255 2.174 0.851 0.768 0.895 0.684 CB 1.722 20 residues pruned to eliminate duplicates Z: 12 37.335 2.549 0.689 0.917 1.000 1.000 CB 1.844 12 residues pruned to eliminate duplicates Z: 12 35.995 2.237 1.031 0.861 1.000 0.909 C 1.755 12 residues pruned to eliminate duplicates Z: 15 29.700 2.176 0.720 0.890 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 15 29.360 2.193 0.524 0.873 1.000 0.857 CB 1.710 15 residues pruned to eliminate duplicates Z: 13 41.854 2.456 0.863 0.941 1.000 0.917 CB 1.833 13 residues pruned to eliminate duplicates Z: 11 26.627 2.169 0.570 0.941 1.000 1.000 CA 1.716 11 residues pruned to eliminate duplicates Z: 11 36.536 2.176 1.162 0.924 1.000 0.700 C 1.725 11 residues pruned to eliminate duplicates Z: 17 34.711 2.455 0.344 0.929 1.000 0.875 CB 1.840 17 residues pruned to eliminate duplicates Z: 67 50.927 2.371 0.858 0.511 0.879 0.636 CB 1.601 67 residues pruned to eliminate duplicates Z: 13 37.090 2.466 0.675 0.927 1.000 1.000 CB 1.817 13 residues pruned to eliminate duplicates Z: 13 28.985 2.440 0.390 0.935 1.000 0.917 CB 1.720 13 residues pruned to eliminate duplicates Z: 21 38.165 2.442 0.797 0.668 0.900 0.650 CB 1.850 21 residues pruned to eliminate duplicates Z: 18 40.150 2.372 0.726 0.797 1.000 0.824 CA 1.833 19 residues pruned to eliminate duplicates Z: 18 53.144 2.391 1.005 0.940 1.000 0.765 CA 1.867 18 residues pruned to eliminate duplicates Z: 19 42.935 2.381 0.748 0.897 1.000 0.722 CB 1.740 19 residues pruned to eliminate duplicates Z: 14 19.733 2.118 0.738 0.506 0.923 0.692 C 1.601 14 residues pruned to eliminate duplicates Z: 13 37.321 2.458 0.645 0.929 1.000 0.917 CB 1.865 13 residues pruned to eliminate duplicates Z: 18 30.936 2.168 0.637 0.811 0.941 0.824 CA 1.713 18 residues pruned to eliminate duplicates Z: 32 42.355 2.244 0.783 0.593 0.968 0.677 CA 1.798 32 residues pruned to eliminate duplicates Z: 15 11.879 1.866 0.930 0.371 0.786 0.571 CB 1.288 15 residues pruned to eliminate duplicates Z: 19 29.830 2.080 0.642 0.842 0.944 0.778 CB 1.624 19 residues pruned to eliminate duplicates Z: 11 24.845 2.409 0.288 0.877 1.000 0.900 CA 1.838 11 residues pruned to eliminate duplicates Z: 38 42.391 2.517 0.830 0.499 0.838 0.568 CB 1.809 38 residues pruned to eliminate duplicates Z: 14 57.122 2.590 1.170 0.911 1.000 0.846 CB 1.998 14 residues pruned to eliminate duplicates Z: 16 28.273 2.069 0.660 0.864 0.933 0.867 CB 1.670 16 residues pruned to eliminate duplicates Z: 15 50.784 2.391 1.025 0.890 1.000 0.714 CA 2.017 15 residues pruned to eliminate duplicates Z: 13 33.217 2.514 0.912 0.603 0.917 0.667 CB 1.972 13 residues pruned to eliminate duplicates Z: 19 29.245 2.087 0.579 0.859 0.944 0.889 CA 1.629 19 residues pruned to eliminate duplicates Z: 24 32.444 2.067 0.743 0.686 1.000 0.652 CB 1.584 24 residues pruned to eliminate duplicates Z: 16 21.242 1.994 0.405 0.869 0.933 0.867 CB 1.533 16 residues pruned to eliminate duplicates Z: 18 43.266 2.455 0.559 0.929 1.000 0.882 CB 1.919 18 residues pruned to eliminate duplicates Z: 18 24.372 2.085 0.477 0.805 0.882 0.824 CB 1.667 18 residues pruned to eliminate duplicates Z: 10 9.824 2.032 0.431 0.344 0.889 0.556 CA 1.502 10 residues pruned to eliminate duplicates Z: 13 47.448 2.485 1.271 0.926 1.000 0.417 CB 1.702 13 residues pruned to eliminate duplicates Z: 41 71.773 2.527 1.064 0.684 0.975 0.725 CB 1.885 41 residues pruned to eliminate duplicates Z: 30 41.374 2.546 0.819 0.551 0.931 0.621 CB 1.695 30 residues pruned to eliminate duplicates Z: 15 30.525 2.093 0.676 0.878 1.000 0.786 CB 1.687 15 residues pruned to eliminate duplicates Z: 11 31.056 2.279 0.799 0.853 1.000 0.700 CA 1.770 11 residues pruned to eliminate duplicates Z: 6 11.946 2.054 0.761 0.422 1.000 0.200 CB 1.602 6 residues pruned to eliminate duplicates Z: 6 18.405 2.105 0.940 0.738 1.000 0.800 CB 1.629 6 residues pruned to eliminate duplicates Z: 15 31.721 2.063 0.850 0.879 1.000 0.714 CA 1.611 15 residues pruned to eliminate duplicates Z: 14 9.633 1.831 0.600 0.463 0.769 0.538 CB 1.231 14 residues pruned to eliminate duplicates Z: 30 26.453 1.994 0.567 0.478 0.966 0.517 CB 1.666 30 residues pruned to eliminate duplicates Z: 28 19.995 1.912 0.964 0.398 0.852 0.556 CB 1.340 28 residues pruned to eliminate duplicates Z: 14 28.946 2.411 0.500 0.932 1.000 0.846 CB 1.549 14 residues pruned to eliminate duplicates Z: 28 36.105 2.221 0.853 0.516 1.000 0.630 CB 1.662 30 residues pruned to eliminate duplicates Z: 18 25.056 2.259 0.411 0.678 1.000 0.706 CB 1.619 18 residues pruned to eliminate duplicates Z: 12 9.097 2.178 0.464 0.230 0.727 0.455 CB 1.621 12 residues pruned to eliminate duplicates Z: 28 48.773 2.376 0.744 0.698 1.000 0.889 CB 1.890 28 residues pruned to eliminate duplicates Z: 10 16.937 2.535 0.839 0.207 0.889 0.667 CB 1.929 10 residues pruned to eliminate duplicates Z: 14 56.891 2.625 1.132 0.934 0.923 0.846 CA 2.130 14 residues pruned to eliminate duplicates Z: 20 18.908 2.271 0.845 0.350 0.737 0.474 CB 1.654 20 residues pruned to eliminate duplicates Z: 7 20.147 2.156 0.974 0.729 1.000 0.833 CB 1.572 7 residues pruned to eliminate duplicates Z: 19 39.443 2.302 0.721 0.920 0.944 0.500 CA 1.749 19 residues pruned to eliminate duplicates Z: 6 4.030 1.268 0.513 0.783 1.000 0.800 CB 0.732 Z: 38 31.863 2.187 0.768 0.473 0.865 0.541 CB 1.611 38 residues pruned to eliminate duplicates Z: 15 26.740 2.085 0.468 0.901 1.000 0.929 CB 1.666 15 residues pruned to eliminate duplicates Z: 7 13.351 2.081 1.143 0.498 0.833 0.500 CB 1.470 7 residues pruned to eliminate duplicates Z: 52 57.531 2.352 0.809 0.686 0.922 0.706 CB 1.733 52 residues pruned to eliminate duplicates Z: 9 5.747 1.576 0.764 0.311 0.875 0.750 CB 1.030 7 residues pruned to eliminate duplicates Z: 51 60.849 2.288 0.766 0.748 1.000 0.820 CB 1.707 51 residues pruned to eliminate duplicates Z: 8 5.135 1.852 0.195 0.262 0.857 0.429 C 1.343 8 residues pruned to eliminate duplicates Z: 13 43.548 2.458 1.127 0.930 1.000 0.583 CB 1.681 13 residues pruned to eliminate duplicates Z: 29 50.743 2.558 0.953 0.594 0.893 0.679 CB 1.965 29 residues pruned to eliminate duplicates Z: 18 33.048 2.156 0.648 0.810 1.000 0.765 CA 1.722 18 residues pruned to eliminate duplicates Z: 18 33.726 2.117 0.752 0.883 0.941 0.765 CB 1.695 18 residues pruned to eliminate duplicates Z: 9 18.763 2.091 1.217 0.460 1.000 0.500 CB 1.491 9 residues pruned to eliminate duplicates Z: 14 23.883 2.321 0.686 0.881 1.000 0.769 CB 1.225 14 residues pruned to eliminate duplicates Z: 25 14.641 2.232 0.320 0.391 0.750 0.292 CB 1.519 25 residues pruned to eliminate duplicates Z: 14 55.505 2.484 1.514 0.953 1.000 0.769 CB 1.696 14 residues pruned to eliminate duplicates Z: 18 27.046 2.120 0.519 0.838 0.941 0.765 CA 1.618 18 residues pruned to eliminate duplicates Z: 28 33.447 2.179 0.776 0.626 0.926 0.593 CB 1.596 28 residues pruned to eliminate duplicates Z: 51 60.151 2.339 0.739 0.727 0.960 0.760 CB 1.776 51 residues pruned to eliminate duplicates Z: 16 15.778 2.159 0.549 0.308 0.867 0.533 CB 1.739 16 residues pruned to eliminate duplicates Z: 13 16.483 2.352 0.550 0.498 0.833 0.583 CB 1.569 13 residues pruned to eliminate duplicates Z: 8 7.439 2.263 0.212 0.239 0.857 0.429 CA 1.618 8 residues pruned to eliminate duplicates Z: 17 34.916 2.185 0.712 0.860 1.000 0.875 CB 1.716 17 residues pruned to eliminate duplicates Z: 13 37.682 2.470 0.702 0.929 1.000 0.833 CB 1.810 13 residues pruned to eliminate duplicates Z: 13 32.138 2.178 0.939 0.877 0.917 0.750 C 1.740 13 residues pruned to eliminate duplicates Z: 9 17.042 2.249 0.346 0.906 1.000 0.875 CA 1.415 9 residues pruned to eliminate duplicates Z: 45 32.168 2.205 0.858 0.432 0.841 0.545 CB 1.510 45 residues pruned to eliminate duplicates Z: 32 56.902 2.453 0.833 0.712 1.000 0.871 CB 1.876 32 residues pruned to eliminate duplicates Z: 10 11.351 2.054 0.679 0.297 0.889 0.556 CB 1.550 10 residues pruned to eliminate duplicates Z: 24 32.522 2.274 0.986 0.522 0.913 0.609 CB 1.609 24 residues pruned to eliminate duplicates Z: 19 31.526 2.058 0.783 0.863 1.000 0.667 CB 1.485 19 residues pruned to eliminate duplicates Z: 7 5.773 1.959 0.426 0.505 0.500 0.500 O 1.679 7 residues pruned to eliminate duplicates Z: 30 45.993 2.466 0.871 0.567 0.931 0.586 CB 1.864 35 residues pruned to eliminate duplicates Z: 19 19.202 2.354 0.739 0.361 0.833 0.556 CB 1.541 19 residues pruned to eliminate duplicates Z: 15 32.751 2.033 0.938 0.914 1.000 0.643 CB 1.571 15 residues pruned to eliminate duplicates Z: 12 36.262 2.535 0.641 0.920 1.000 0.909 CB 1.850 12 residues pruned to eliminate duplicates Z: 51 61.093 2.327 0.817 0.721 0.940 0.740 CB 1.781 51 residues pruned to eliminate duplicates Z: 20 41.832 2.504 0.906 0.607 0.895 0.737 CB 2.031 20 residues pruned to eliminate duplicates Z: 18 41.253 2.620 0.686 0.703 0.882 0.765 CA 2.134 18 residues pruned to eliminate duplicates Z: 14 9.179 2.084 0.135 0.343 0.846 0.308 CB 1.508 14 residues pruned to eliminate duplicates Z: 31 42.678 2.261 0.797 0.692 0.967 0.800 CB 1.664 33 residues pruned to eliminate duplicates Z: 32 46.867 2.404 0.821 0.648 0.968 0.677 CB 1.731 32 residues pruned to eliminate duplicates Z: 8 8.258 1.994 0.006 0.822 0.857 0.857 CB 1.373 8 residues pruned to eliminate duplicates Z: 13 35.960 2.437 0.728 0.930 1.000 0.750 CB 1.725 13 residues pruned to eliminate duplicates Z: 12 19.826 2.143 0.673 0.575 1.000 0.545 CA 1.552 12 residues pruned to eliminate duplicates Z: 37 55.510 2.495 0.847 0.655 0.917 0.722 CB 1.896 35 residues pruned to eliminate duplicates Z: 26 29.134 1.897 0.752 0.641 1.000 0.760 CA 1.536 26 residues pruned to eliminate duplicates Z: 6 19.984 2.346 0.832 0.694 1.000 0.800 CA 1.741 6 residues pruned to eliminate duplicates Z: 15 24.405 2.030 0.753 0.888 1.000 0.857 CB 1.321 14 residues pruned to eliminate duplicates Z: 12 22.589 2.074 0.780 0.658 1.000 0.727 CB 1.593 12 residues pruned to eliminate duplicates Z: 19 34.044 2.104 0.815 0.838 0.944 0.833 CA 1.663 19 residues pruned to eliminate duplicates Z: 14 59.462 2.535 1.513 0.935 0.923 0.923 C 1.954 14 residues pruned to eliminate duplicates Z: 20 35.289 2.346 0.792 0.685 0.947 0.684 CB 1.715 20 residues pruned to eliminate duplicates Z: 7 3.380 1.615 0.264 0.435 0.667 0.667 CA 1.084 7 residues pruned to eliminate duplicates Z: 11 10.267 1.718 0.428 0.606 0.900 0.700 CA 1.330 11 residues pruned to eliminate duplicates Z: 18 54.464 2.469 0.928 0.923 1.000 0.765 CA 1.949 18 residues pruned to eliminate duplicates Z: 19 47.863 2.654 0.764 0.655 0.944 0.778 CB 2.208 19 residues pruned to eliminate duplicates Z: 26 35.771 2.182 0.949 0.584 0.960 0.840 CB 1.616 20 residues pruned to eliminate duplicates Z: 6 3.072 1.400 0.320 0.535 1.000 0.400 CA 0.719 6 residues pruned to eliminate duplicates Z: 11 9.149 1.935 0.695 0.412 0.800 0.400 CB 1.210 11 residues pruned to eliminate duplicates Z: 23 20.224 1.947 0.705 0.472 0.909 0.591 CB 1.469 23 residues pruned to eliminate duplicates Z: 10 23.619 2.153 1.100 0.930 1.000 0.778 CB 1.218 10 residues pruned to eliminate duplicates Z: 13 65.490 2.497 1.529 0.891 1.000 0.833 CA 2.151 13 residues pruned to eliminate duplicates Z: 53 70.664 2.434 0.972 0.683 0.923 0.712 CB 1.870 53 residues pruned to eliminate duplicates Z: 34 43.642 2.272 0.906 0.671 0.879 0.727 CB 1.706 34 residues pruned to eliminate duplicates Z: 11 29.360 2.209 0.934 0.934 1.000 0.800 CA 1.516 11 residues pruned to eliminate duplicates Z: 52 43.415 2.242 0.870 0.446 0.882 0.647 CB 1.736 52 residues pruned to eliminate duplicates Z: 9 13.694 2.055 0.804 0.257 1.000 0.625 C 1.725 9 residues pruned to eliminate duplicates Z: 12 26.237 2.241 0.955 0.601 0.909 0.636 CB 1.804 12 residues pruned to eliminate duplicates Z: 13 15.639 2.323 0.594 0.492 0.750 0.500 CB 1.640 13 residues pruned to eliminate duplicates Z: 7 4.959 1.455 0.012 0.775 1.000 0.833 O 1.078 7 residues pruned to eliminate duplicates Z: 38 31.023 2.197 0.786 0.434 0.892 0.541 CB 1.560 38 residues pruned to eliminate duplicates Z: 17 13.140 2.129 0.294 0.528 0.750 0.500 CB 1.547 17 residues pruned to eliminate duplicates Z: 8 8.518 2.094 0.387 0.324 0.857 0.571 CB 1.570 8 residues pruned to eliminate duplicates Z: 42 45.545 2.255 0.723 0.650 0.927 0.732 CB 1.719 42 residues pruned to eliminate duplicates Z: 54 43.592 2.316 0.768 0.470 0.925 0.509 CB 1.631 54 residues pruned to eliminate duplicates Z: 15 24.204 2.050 0.709 0.872 0.929 0.500 CB 1.449 15 residues pruned to eliminate duplicates Z: 10 9.582 1.847 0.581 0.425 0.889 0.889 C 1.330 10 residues pruned to eliminate duplicates Z: 27 43.673 2.427 1.059 0.649 0.808 0.692 CB 1.847 28 residues pruned to eliminate duplicates Z: 10 6.173 1.918 0.546 0.274 0.667 0.444 CB 1.345 10 residues pruned to eliminate duplicates Z: 12 33.022 2.240 0.965 0.849 1.000 1.000 CA 1.676 14 residues pruned to eliminate duplicates Z: 6 11.985 1.958 0.687 0.770 1.000 0.600 CA 1.278 6 residues pruned to eliminate duplicates Z: 18 44.817 2.393 0.658 0.940 1.000 0.941 CB 1.903 18 residues pruned to eliminate duplicates Z: 24 27.205 2.198 0.601 0.599 0.913 0.739 CB 1.606 24 residues pruned to eliminate duplicates Z: 7 5.036 1.703 0.415 0.373 0.833 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 7 6.676 1.720 0.965 0.575 0.833 0.833 CB 0.900 7 residues pruned to eliminate duplicates Z: 25 44.903 2.495 0.888 0.648 0.917 0.708 CB 1.848 25 residues pruned to eliminate duplicates Z: 8 17.667 2.418 0.869 0.559 0.857 0.429 CB 1.629 8 residues pruned to eliminate duplicates Z: 7 9.359 2.362 0.851 0.443 0.500 0.333 C 1.854 7 residues pruned to eliminate duplicates Z: 30 42.340 2.285 0.775 0.636 0.966 0.759 CB 1.767 28 residues pruned to eliminate duplicates Z: 11 29.202 2.276 1.182 0.562 1.000 0.600 CB 1.752 11 residues pruned to eliminate duplicates Z: 13 74.993 2.687 1.634 0.924 1.000 0.917 CA 2.148 13 residues pruned to eliminate duplicates Z: 15 31.711 2.119 0.692 0.874 1.000 0.714 CB 1.720 15 residues pruned to eliminate duplicates Z: 27 39.206 2.276 0.859 0.625 0.923 0.654 CB 1.750 27 residues pruned to eliminate duplicates Z: 15 28.883 2.256 0.988 0.489 1.000 0.571 CB 1.740 15 residues pruned to eliminate duplicates Z: 45 72.358 2.472 1.028 0.686 0.977 0.773 CB 1.877 45 residues pruned to eliminate duplicates Z: 20 45.099 2.476 0.818 0.678 1.000 0.737 CB 1.952 20 residues pruned to eliminate duplicates Z: 15 28.156 2.000 0.856 0.761 1.000 0.857 CA 1.608 15 residues pruned to eliminate duplicates Z: 62 55.340 2.288 0.725 0.660 0.918 0.754 CB 1.687 62 residues pruned to eliminate duplicates Z: 10 5.414 1.713 0.612 0.366 0.778 0.556 CB 0.970 10 residues pruned to eliminate duplicates Z: 21 36.146 2.313 0.801 0.701 0.950 0.800 CA 1.700 21 residues pruned to eliminate duplicates Z: 25 44.724 2.389 0.586 0.785 1.000 0.875 CA 1.875 25 residues pruned to eliminate duplicates Z: 16 9.796 2.086 0.300 0.220 0.800 0.467 CB 1.618 16 residues pruned to eliminate duplicates Z: 22 36.863 2.368 0.921 0.694 0.905 0.667 CB 1.636 22 residues pruned to eliminate duplicates Z: 10 9.846 2.210 0.202 0.249 1.000 0.778 CB 1.650 10 residues pruned to eliminate duplicates Z: 7 10.810 1.967 1.351 0.487 0.833 0.500 CB 1.160 7 residues pruned to eliminate duplicates Z: 26 42.861 2.360 0.963 0.638 0.920 0.720 CB 1.767 26 residues pruned to eliminate duplicates Z: 17 24.734 1.993 0.662 0.739 0.938 0.750 CA 1.607 17 residues pruned to eliminate duplicates Z: 34 42.392 2.322 0.959 0.544 0.879 0.636 CB 1.769 34 residues pruned to eliminate duplicates Z: 14 22.318 2.129 1.281 0.533 0.846 0.615 CB 1.459 14 residues pruned to eliminate duplicates Z: 11 8.759 2.165 -0.011 0.340 0.900 0.700 CA 1.710 11 residues pruned to eliminate duplicates Z: 18 33.744 2.084 1.060 0.804 0.941 0.647 CA 1.553 18 residues pruned to eliminate duplicates Z: 14 11.597 1.732 0.782 0.428 0.846 0.462 CB 1.327 14 residues pruned to eliminate duplicates Z: 17 35.481 2.341 0.747 0.741 0.938 0.750 CB 1.864 17 residues pruned to eliminate duplicates Z: 7 6.922 1.876 -0.244 0.872 1.000 1.000 CB 1.453 7 residues pruned to eliminate duplicates Z: 13 28.941 2.075 0.973 0.786 1.000 0.917 CB 1.587 13 residues pruned to eliminate duplicates Z: 6 6.852 1.925 0.346 0.297 1.000 0.600 CA 1.484 Z: 7 3.310 1.261 0.597 0.473 1.000 0.667 CB 0.689 Z: 10 33.125 2.235 1.113 0.930 1.000 0.667 CA 1.635 11 residues pruned to eliminate duplicates Z: 17 27.177 2.039 0.662 0.800 1.000 0.750 CB 1.542 17 residues pruned to eliminate duplicates Z: 10 24.306 2.197 0.451 0.873 1.000 0.778 CA 1.851 10 residues pruned to eliminate duplicates Z: 14 37.121 2.478 1.390 0.542 0.923 0.692 CA 1.806 14 residues pruned to eliminate duplicates Z: 32 40.424 2.370 0.475 0.717 0.935 0.839 CB 1.824 32 residues pruned to eliminate duplicates Z: 50 43.911 2.194 0.925 0.545 0.857 0.592 CB 1.659 51 residues pruned to eliminate duplicates Z: 26 36.442 2.414 0.736 0.602 0.880 0.680 CB 1.792 26 residues pruned to eliminate duplicates Z: 11 20.600 1.975 0.721 0.828 1.000 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 14 55.987 2.501 1.323 0.914 0.923 0.692 C 2.048 14 residues pruned to eliminate duplicates Z: 19 37.283 2.373 0.527 0.848 0.944 0.944 CB 1.905 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 28 29.081 2.187 0.714 0.452 0.926 0.556 CB 1.694 28 residues pruned to eliminate duplicates Z: 14 20.004 2.187 0.888 0.522 0.769 0.692 C 1.709 14 residues pruned to eliminate duplicates Z: 12 31.036 2.361 0.920 0.671 0.909 0.636 C 1.940 12 residues pruned to eliminate duplicates Z: 29 26.243 2.109 0.779 0.439 0.929 0.536 CB 1.516 29 residues pruned to eliminate duplicates Z: 13 20.246 2.091 0.907 0.552 0.833 0.500 C 1.672 13 residues pruned to eliminate duplicates Z: 39 28.498 2.216 0.686 0.389 0.895 0.526 CB 1.554 39 residues pruned to eliminate duplicates Z: 13 26.499 2.100 1.051 0.594 0.917 0.500 CB 1.771 13 residues pruned to eliminate duplicates Z: 7 9.456 2.096 0.964 0.544 0.833 0.667 CB 1.077 7 residues pruned to eliminate duplicates Z: 9 9.257 2.085 0.913 0.397 0.750 0.500 CB 1.220 9 residues pruned to eliminate duplicates Z: 9 9.055 2.200 0.578 0.396 0.875 0.500 CB 1.177 7 residues pruned to eliminate duplicates Z: 7 5.581 1.633 0.280 0.508 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 16 24.093 2.305 0.791 0.577 0.933 0.733 CB 1.499 16 residues pruned to eliminate duplicates Z: 13 29.453 2.487 0.873 0.648 0.917 0.750 CB 1.734 13 residues pruned to eliminate duplicates Z: 34 39.946 2.330 0.711 0.609 0.879 0.667 CB 1.789 34 residues pruned to eliminate duplicates Z: 15 12.503 2.156 0.665 0.401 0.786 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 10 27.641 2.480 1.243 0.586 0.889 0.556 CB 1.717 10 residues pruned to eliminate duplicates Z: 13 17.439 2.309 0.695 0.464 0.833 0.500 CB 1.601 13 residues pruned to eliminate duplicates Z: 14 19.404 2.292 0.721 0.474 0.769 0.385 C 1.821 14 residues pruned to eliminate duplicates Z: 46 39.164 2.288 0.613 0.550 0.867 0.667 CB 1.740 46 residues pruned to eliminate duplicates Z: 28 24.951 2.163 0.711 0.472 0.926 0.481 CB 1.442 28 residues pruned to eliminate duplicates Z: 25 50.842 2.365 0.834 0.772 0.958 0.792 CA 1.962 25 residues pruned to eliminate duplicates Z: 35 39.702 2.243 0.884 0.533 0.853 0.706 C 1.829 35 residues pruned to eliminate duplicates Z: 35 39.742 2.165 0.811 0.595 0.912 0.706 CA 1.742 44 residues pruned to eliminate duplicates Z: 18 51.443 2.450 0.911 0.934 1.000 0.882 CA 1.858 18 residues pruned to eliminate duplicates Z: 28 49.627 2.377 0.767 0.705 1.000 0.889 CA 1.887 28 residues pruned to eliminate duplicates Z: 29 50.101 2.358 1.014 0.646 0.929 0.821 CB 1.874 29 residues pruned to eliminate duplicates Z: 29 49.219 2.353 0.822 0.675 1.000 0.821 CA 1.846 29 residues pruned to eliminate duplicates Z: 29 47.553 2.313 0.938 0.640 0.929 0.750 CB 1.893 29 residues pruned to eliminate duplicates Z: 21 51.215 2.458 1.151 0.710 0.950 0.850 CB 1.884 21 residues pruned to eliminate duplicates Z: 26 53.235 2.482 0.774 0.719 1.000 0.800 CA 1.984 26 residues pruned to eliminate duplicates Z: 34 46.840 2.312 0.728 0.636 0.939 0.667 CB 1.913 34 residues pruned to eliminate duplicates Z: 22 45.188 2.354 0.869 0.712 1.000 0.857 CB 1.849 22 residues pruned to eliminate duplicates Z: 29 44.844 2.333 0.829 0.654 0.929 0.750 CA 1.853 29 residues pruned to eliminate duplicates Z: 30 43.266 2.314 0.747 0.639 0.966 0.759 CB 1.808 30 residues pruned to eliminate duplicates Z: 31 39.521 2.282 0.845 0.593 0.900 0.733 CA 1.743 31 residues pruned to eliminate duplicates Z: 32 47.318 2.224 0.970 0.636 0.968 0.774 CA 1.765 32 residues pruned to eliminate duplicates Z: 21 41.937 2.377 0.723 0.817 0.950 0.700 CA 1.830 21 residues pruned to eliminate duplicates Z: 29 47.615 2.311 0.985 0.631 1.000 0.643 CA 1.734 29 residues pruned to eliminate duplicates Z: 33 40.124 2.281 0.661 0.598 0.938 0.781 CB 1.819 33 residues pruned to eliminate duplicates Z: 29 41.956 2.301 0.791 0.664 0.929 0.786 CA 1.780 29 residues pruned to eliminate duplicates Z: 33 49.948 2.267 0.829 0.693 0.969 0.812 CA 1.842 33 residues pruned to eliminate duplicates Z: 20 47.031 2.542 0.967 0.615 0.947 0.684 C 2.042 20 residues pruned to eliminate duplicates Z: 18 48.138 2.720 0.834 0.620 0.941 0.706 C 2.221 18 residues pruned to eliminate duplicates Z: 26 38.220 2.472 0.794 0.548 0.920 0.560 CB 1.788 26 residues pruned to eliminate duplicates Z: 23 35.269 2.394 0.857 0.533 0.864 0.591 CB 1.896 23 residues pruned to eliminate duplicates Z: 20 40.163 2.588 0.802 0.602 0.842 0.526 CB 2.130 20 residues pruned to eliminate duplicates Z: 21 35.163 2.539 0.696 0.570 0.900 0.600 CB 1.896 21 residues pruned to eliminate duplicates Z: 20 42.728 2.490 0.992 0.632 0.842 0.737 CB 2.073 20 residues pruned to eliminate duplicates Z: 20 44.029 2.585 0.988 0.596 0.895 0.579 CB 2.004 20 residues pruned to eliminate duplicates Z: 21 46.418 2.548 0.976 0.577 0.950 0.700 CB 2.015 21 residues pruned to eliminate duplicates Z: 33 45.726 2.581 0.896 0.518 0.875 0.688 CB 1.855 33 residues pruned to eliminate duplicates Z: 32 43.009 2.491 0.760 0.535 0.903 0.645 CB 1.886 32 residues pruned to eliminate duplicates Z: 24 32.546 2.463 0.620 0.568 0.826 0.522 CB 1.928 24 residues pruned to eliminate duplicates Z: 32 43.040 2.477 1.121 0.462 0.839 0.516 CB 1.824 32 residues pruned to eliminate duplicates Z: 40 42.351 2.498 0.835 0.498 0.872 0.564 CB 1.701 40 residues pruned to eliminate duplicates Z: 26 34.664 2.435 0.988 0.465 0.840 0.560 CB 1.766 26 residues pruned to eliminate duplicates Z: 41 42.066 2.486 0.903 0.474 0.825 0.600 CB 1.750 41 residues pruned to eliminate duplicates Z: 33 37.118 2.552 0.726 0.505 0.812 0.531 CB 1.825 33 residues pruned to eliminate duplicates Z: 19 14.022 2.317 0.572 0.331 0.722 0.500 CB 1.512 19 residues pruned to eliminate duplicates Z: 38 44.967 2.493 0.833 0.480 0.892 0.649 CB 1.850 38 residues pruned to eliminate duplicates Z: 31 45.677 2.548 0.858 0.561 0.867 0.600 CB 1.917 31 residues pruned to eliminate duplicates Z: 15 14.213 2.348 0.581 0.384 0.857 0.429 CB 1.350 15 residues pruned to eliminate duplicates Z: 20 15.720 2.116 0.640 0.378 0.842 0.526 CB 1.406 20 residues pruned to eliminate duplicates Z: 12 20.388 2.560 0.803 0.448 0.818 0.636 CB 1.717 12 residues pruned to eliminate duplicates Z: 30 33.588 2.264 0.811 0.531 0.862 0.586 CB 1.711 30 residues pruned to eliminate duplicates Z: 51 68.929 2.518 0.731 0.682 0.960 0.700 CB 1.970 51 residues pruned to eliminate duplicates Z: 53 63.379 2.447 0.680 0.685 0.962 0.769 CB 1.875 53 residues pruned to eliminate duplicates Z: 51 78.386 2.537 0.941 0.676 0.980 0.660 CB 1.954 52 residues pruned to eliminate duplicates Z: 19 43.670 2.265 1.106 0.780 0.944 0.389 CA 1.785 19 residues pruned to eliminate duplicates Z: 52 69.150 2.457 0.793 0.695 0.961 0.784 CB 1.914 52 residues pruned to eliminate duplicates Z: 51 77.947 2.542 0.887 0.705 0.980 0.780 CB 1.945 51 residues pruned to eliminate duplicates Z: 17 34.312 2.253 0.906 0.851 0.938 0.875 CB 1.577 17 residues pruned to eliminate duplicates Z: 52 77.594 2.558 0.898 0.706 0.941 0.765 CB 1.972 51 residues pruned to eliminate duplicates Z: 18 40.260 2.402 0.817 0.784 0.941 0.706 CA 1.852 17 residues pruned to eliminate duplicates Z: 18 43.563 2.361 0.870 0.800 1.000 0.765 CA 1.841 18 residues pruned to eliminate duplicates Z: 8 9.891 1.961 0.438 0.438 0.857 0.143 C 1.649 8 residues pruned to eliminate duplicates Z: 53 64.097 2.466 0.773 0.678 0.942 0.731 CB 1.832 53 residues pruned to eliminate duplicates Z: 54 67.949 2.446 0.839 0.671 0.962 0.755 CB 1.842 54 residues pruned to eliminate duplicates Z: 54 61.500 2.459 0.683 0.667 0.943 0.717 CB 1.854 54 residues pruned to eliminate duplicates Z: 8 4.912 1.718 0.282 0.343 0.714 0.429 N 1.401 8 residues pruned to eliminate duplicates Z: 52 69.227 2.501 0.729 0.693 0.980 0.765 CB 1.917 52 residues pruned to eliminate duplicates Z: 52 65.278 2.505 0.647 0.680 0.980 0.765 CB 1.916 52 residues pruned to eliminate duplicates Z: 36 48.805 2.460 0.738 0.634 0.886 0.771 CB 1.922 36 residues pruned to eliminate duplicates Z: 37 56.495 2.506 0.840 0.683 0.944 0.750 CB 1.827 37 residues pruned to eliminate duplicates Z: 53 65.761 2.443 0.752 0.667 0.923 0.769 CB 1.977 53 residues pruned to eliminate duplicates Z: 52 69.186 2.499 0.759 0.686 0.980 0.784 CB 1.895 52 residues pruned to eliminate duplicates Z: 54 69.707 2.473 0.776 0.682 0.981 0.755 CB 1.879 54 residues pruned to eliminate duplicates Z: 52 67.966 2.489 0.777 0.697 0.980 0.745 CB 1.835 52 residues pruned to eliminate duplicates Z: 50 82.442 2.575 0.911 0.715 0.980 0.735 CB 2.011 51 residues pruned to eliminate duplicates Z: 14 44.716 2.458 1.083 0.939 1.000 0.692 CB 1.683 14 residues pruned to eliminate duplicates Z: 38 50.283 2.400 0.899 0.638 0.892 0.784 CB 1.786 38 residues pruned to eliminate duplicates Z: 55 72.198 2.486 0.881 0.674 0.944 0.759 CB 1.894 55 residues pruned to eliminate duplicates Z: 56 68.308 2.424 0.880 0.667 0.927 0.709 CB 1.868 56 residues pruned to eliminate duplicates Z: 57 64.284 2.370 0.881 0.650 0.946 0.732 CB 1.771 57 residues pruned to eliminate duplicates Z: 51 78.420 2.531 0.917 0.705 0.960 0.760 CB 1.975 51 residues pruned to eliminate duplicates Z: 53 72.936 2.526 0.950 0.678 0.923 0.750 CB 1.889 53 residues pruned to eliminate duplicates Z: 37 66.517 2.514 1.109 0.711 0.944 0.667 CB 1.828 37 residues pruned to eliminate duplicates Z: 12 19.218 1.978 0.506 0.761 1.000 0.727 CA 1.542 12 residues pruned to eliminate duplicates Z: 50 59.468 2.356 0.795 0.705 0.939 0.735 CB 1.777 50 residues pruned to eliminate duplicates Z: 51 65.429 2.357 0.850 0.716 0.960 0.740 CB 1.819 50 residues pruned to eliminate duplicates Z: 12 26.040 2.267 0.523 0.903 1.000 0.818 CA 1.622 11 residues pruned to eliminate duplicates Z: 11 26.697 2.237 0.653 0.899 1.000 0.900 CA 1.632 11 residues pruned to eliminate duplicates Z: 30 33.478 2.209 0.914 0.540 0.862 0.586 CA 1.640 30 residues pruned to eliminate duplicates Z: 54 61.345 2.302 0.988 0.686 0.887 0.679 CB 1.751 54 residues pruned to eliminate duplicates Z: 50 64.502 2.377 0.812 0.730 0.959 0.816 CB 1.814 52 residues pruned to eliminate duplicates Z: 6 8.152 1.717 0.666 0.467 1.000 1.000 C 1.319 6 residues pruned to eliminate duplicates Z: 27 37.924 2.371 0.970 0.523 0.885 0.615 CB 1.759 27 residues pruned to eliminate duplicates Z: 63 52.229 2.367 0.880 0.499 0.871 0.597 CB 1.712 63 residues pruned to eliminate duplicates Z: 53 62.715 2.367 0.784 0.693 0.942 0.788 CB 1.832 53 residues pruned to eliminate duplicates Z: 51 54.268 2.324 0.625 0.696 0.960 0.760 CB 1.769 51 residues pruned to eliminate duplicates Z: 53 59.128 2.374 0.698 0.697 0.942 0.846 CB 1.803 53 residues pruned to eliminate duplicates Z: 52 59.633 2.343 0.720 0.684 0.980 0.745 CB 1.784 52 residues pruned to eliminate duplicates Z: 52 58.606 2.296 0.752 0.712 0.961 0.725 CB 1.751 52 residues pruned to eliminate duplicates Z: 23 36.230 2.213 0.920 0.667 0.909 0.636 CB 1.712 23 residues pruned to eliminate duplicates Z: 52 63.539 2.344 0.808 0.710 0.980 0.745 CB 1.770 52 residues pruned to eliminate duplicates Z: 18 38.136 2.168 0.995 0.835 0.941 0.647 CA 1.703 18 residues pruned to eliminate duplicates Z: 52 59.203 2.331 0.768 0.704 0.941 0.706 CB 1.775 52 residues pruned to eliminate duplicates Z: 51 64.090 2.354 0.786 0.707 0.980 0.740 CB 1.823 51 residues pruned to eliminate duplicates Z: 52 61.014 2.323 0.781 0.696 0.980 0.667 CB 1.761 52 residues pruned to eliminate duplicates Z: 51 61.149 2.347 0.731 0.694 0.980 0.740 CB 1.819 51 residues pruned to eliminate duplicates Z: 23 37.027 2.144 0.872 0.677 1.000 0.636 CB 1.671 23 residues pruned to eliminate duplicates Z: 18 37.363 2.198 0.869 0.815 1.000 0.706 CA 1.677 18 residues pruned to eliminate duplicates Z: 52 59.464 2.322 0.755 0.719 0.941 0.745 CB 1.780 52 residues pruned to eliminate duplicates Z: 54 58.827 2.347 0.815 0.690 0.925 0.679 CB 1.725 54 residues pruned to eliminate duplicates Z: 55 56.287 2.297 0.713 0.690 0.944 0.741 CB 1.733 55 residues pruned to eliminate duplicates Z: 51 59.931 2.344 0.761 0.719 0.940 0.800 CB 1.792 51 residues pruned to eliminate duplicates Z: 51 58.331 2.369 0.670 0.717 0.940 0.720 CB 1.823 51 residues pruned to eliminate duplicates Z: 51 59.365 2.367 0.651 0.716 0.960 0.820 CB 1.840 51 residues pruned to eliminate duplicates Z: 51 63.319 2.352 0.780 0.732 0.980 0.780 CB 1.772 50 residues pruned to eliminate duplicates Z: 15 30.949 2.433 0.401 0.779 1.000 0.929 CB 1.896 15 residues pruned to eliminate duplicates Z: 51 62.766 2.357 0.775 0.720 0.960 0.720 CB 1.812 51 residues pruned to eliminate duplicates Z: 55 52.064 2.247 0.667 0.655 0.944 0.759 CB 1.734 55 residues pruned to eliminate duplicates Z: 52 60.002 2.363 0.755 0.718 0.941 0.745 CB 1.766 52 residues pruned to eliminate duplicates Z: 13 30.420 2.446 0.432 0.909 1.000 1.000 CB 1.779 13 residues pruned to eliminate duplicates Z: 52 55.642 2.359 0.686 0.716 0.941 0.765 CB 1.711 52 residues pruned to eliminate duplicates Z: 35 51.086 2.407 0.755 0.698 0.941 0.794 CB 1.840 35 residues pruned to eliminate duplicates Z: 51 58.778 2.339 0.781 0.701 0.940 0.720 CB 1.768 51 residues pruned to eliminate duplicates Z: 53 59.277 2.319 0.750 0.689 0.962 0.769 CB 1.772 53 residues pruned to eliminate duplicates Z: 51 59.850 2.363 0.717 0.715 0.940 0.820 CB 1.826 51 residues pruned to eliminate duplicates Z: 53 64.550 2.364 0.889 0.691 0.923 0.731 CB 1.824 51 residues pruned to eliminate duplicates Z: 14 31.400 2.302 0.824 0.825 0.923 0.462 CB 1.696 14 residues pruned to eliminate duplicates Z: 29 36.213 2.387 0.681 0.527 0.893 0.571 CB 1.860 29 residues pruned to eliminate duplicates Z: 18 55.681 2.552 1.023 0.714 1.000 0.824 CB 2.155 18 residues pruned to eliminate duplicates Z: 18 53.398 2.541 0.959 0.726 1.000 0.824 CA 2.123 18 residues pruned to eliminate duplicates Z: 19 50.667 2.476 1.092 0.650 1.000 0.778 CA 2.005 19 residues pruned to eliminate duplicates Z: 21 47.237 2.478 1.018 0.644 0.950 0.700 CB 1.943 21 residues pruned to eliminate duplicates Z: 20 46.702 2.502 1.013 0.660 0.895 0.789 CB 2.049 20 residues pruned to eliminate duplicates Z: 32 39.278 2.443 0.879 0.502 0.839 0.645 CB 1.828 32 residues pruned to eliminate duplicates Z: 21 52.744 2.406 1.313 0.655 0.900 0.800 CB 2.039 21 residues pruned to eliminate duplicates Z: 19 57.952 2.472 1.400 0.652 1.000 0.611 CB 1.999 19 residues pruned to eliminate duplicates Z: 18 59.230 2.534 1.263 0.692 1.000 0.647 CB 2.102 18 residues pruned to eliminate duplicates Z: 44 39.436 2.327 0.741 0.470 0.884 0.581 CB 1.733 44 residues pruned to eliminate duplicates Z: 19 45.233 2.414 1.134 0.673 0.944 0.667 CA 1.868 19 residues pruned to eliminate duplicates Z: 21 45.158 2.437 1.186 0.619 0.900 0.650 CB 1.884 21 residues pruned to eliminate duplicates Z: 35 53.738 2.497 0.969 0.653 0.912 0.794 CB 1.783 35 residues pruned to eliminate duplicates Z: 42 47.290 2.334 0.687 0.587 0.951 0.756 CB 1.814 42 residues pruned to eliminate duplicates Z: 54 71.378 2.445 0.969 0.667 0.943 0.755 CB 1.850 54 residues pruned to eliminate duplicates Z: 51 77.003 2.536 0.898 0.699 0.980 0.780 CB 1.925 51 residues pruned to eliminate duplicates Z: 52 72.401 2.538 0.870 0.678 0.961 0.765 CB 1.888 52 residues pruned to eliminate duplicates Z: 57 66.282 2.391 0.897 0.622 0.982 0.643 CB 1.773 57 residues pruned to eliminate duplicates Z: 55 66.806 2.424 0.950 0.631 0.963 0.741 CB 1.766 55 residues pruned to eliminate duplicates Z: 57 64.438 2.398 0.829 0.630 0.946 0.679 CB 1.835 57 residues pruned to eliminate duplicates Z: 52 81.791 2.530 1.021 0.673 0.980 0.765 CB 1.949 52 residues pruned to eliminate duplicates Z: 51 80.454 2.520 1.035 0.683 0.960 0.760 CB 1.954 51 residues pruned to eliminate duplicates Z: 51 73.465 2.525 0.902 0.697 0.940 0.760 CB 1.923 51 residues pruned to eliminate duplicates Z: 52 78.326 2.498 1.041 0.675 0.961 0.725 CB 1.906 52 residues pruned to eliminate duplicates Z: 23 37.573 2.375 0.491 0.684 1.000 0.955 CB 1.911 23 residues pruned to eliminate duplicates Z: 16 36.804 2.392 0.644 0.817 0.933 0.867 CB 1.966 16 residues pruned to eliminate duplicates Z: 25 35.192 2.311 0.547 0.612 0.958 0.833 CB 1.885 25 residues pruned to eliminate duplicates Z: 26 39.788 2.313 0.776 0.656 0.920 0.640 CB 1.821 26 residues pruned to eliminate duplicates Z: 24 40.227 2.269 0.739 0.637 1.000 0.826 CB 1.870 24 residues pruned to eliminate duplicates Z: 23 47.706 2.357 0.913 0.702 1.000 0.818 CB 1.877 23 residues pruned to eliminate duplicates Z: 24 42.855 2.350 0.712 0.684 1.000 0.739 CB 1.876 24 residues pruned to eliminate duplicates Z: 24 43.529 2.337 0.766 0.695 1.000 0.826 CB 1.841 24 residues pruned to eliminate duplicates Z: 23 43.778 2.399 0.718 0.680 1.000 0.864 CB 1.920 23 residues pruned to eliminate duplicates Z: 36 47.428 2.392 0.882 0.579 0.914 0.771 CB 1.805 36 residues pruned to eliminate duplicates Z: 25 36.047 2.301 0.573 0.662 0.958 0.792 CB 1.826 25 residues pruned to eliminate duplicates Z: 23 40.992 2.372 0.595 0.691 1.000 0.864 CB 1.940 23 residues pruned to eliminate duplicates Z: 22 40.904 2.478 0.534 0.716 1.000 0.857 CB 1.931 22 residues pruned to eliminate duplicates Z: 23 40.880 2.391 0.566 0.718 1.000 0.818 CB 1.912 23 residues pruned to eliminate duplicates Z: 24 43.909 2.384 0.765 0.709 0.957 0.783 CB 1.881 24 residues pruned to eliminate duplicates Z: 12 11.909 2.414 0.395 0.333 0.818 0.273 CB 1.564 12 residues pruned to eliminate duplicates Z: 13 9.333 2.383 0.260 0.280 0.750 0.417 CB 1.535 13 residues pruned to eliminate duplicates Z: 13 8.930 2.345 0.266 0.261 0.750 0.417 CB 1.522 13 residues pruned to eliminate duplicates Z: 60 42.695 2.241 0.775 0.477 0.898 0.475 CB 1.592 60 residues pruned to eliminate duplicates Z: 27 30.021 2.379 0.877 0.365 0.846 0.462 CB 1.801 27 residues pruned to eliminate duplicates Z: 33 40.386 2.375 0.827 0.555 0.906 0.719 CB 1.721 33 residues pruned to eliminate duplicates Z: 32 40.249 2.433 0.957 0.545 0.839 0.581 CB 1.733 32 residues pruned to eliminate duplicates Z: 30 41.182 2.401 0.962 0.596 0.862 0.690 CB 1.717 30 residues pruned to eliminate duplicates Z: 37 29.835 2.202 0.707 0.471 0.833 0.528 CB 1.634 37 residues pruned to eliminate duplicates Z: 23 12.401 1.935 0.496 0.309 0.818 0.409 CB 1.380 23 residues pruned to eliminate duplicates Z: 34 40.689 2.300 0.960 0.527 0.879 0.545 CB 1.741 34 residues pruned to eliminate duplicates Z: 27 31.608 2.214 0.944 0.434 0.923 0.577 CB 1.670 27 residues pruned to eliminate duplicates Z: 38 30.857 2.363 0.854 0.360 0.784 0.514 CB 1.717 38 residues pruned to eliminate duplicates Z: 19 15.984 2.292 0.456 0.320 0.833 0.389 CB 1.653 19 residues pruned to eliminate duplicates Z: 30 26.079 2.134 0.728 0.443 0.828 0.414 CB 1.684 30 residues pruned to eliminate duplicates Z: 12 13.604 2.313 0.326 0.379 0.818 0.364 CB 1.859 12 residues pruned to eliminate duplicates Z: 42 39.817 2.406 0.664 0.475 0.902 0.537 CB 1.766 42 residues pruned to eliminate duplicates 284 residues left after pruning, divided into chains as follows: A: 91 B: 88 C: 52 D: 53 CC for partial structure against native data = 37.53 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.408, Connect. = 0.783 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.803 for dens.mod. cycle 2 = 0.300, Contrast = 0.560, Connect. = 0.832 for dens.mod. cycle 3 = 0.300, Contrast = 0.570, Connect. = 0.836 for dens.mod. cycle 4 = 0.300, Contrast = 0.582, Connect. = 0.838 for dens.mod. cycle 5 = 0.300, Contrast = 0.588, Connect. = 0.841 for dens.mod. cycle 6 = 0.300, Contrast = 0.595, Connect. = 0.842 for dens.mod. cycle 7 = 0.300, Contrast = 0.599, Connect. = 0.844 for dens.mod. cycle 8 = 0.300, Contrast = 0.603, Connect. = 0.845 for dens.mod. cycle 9 = 0.300, Contrast = 0.606, Connect. = 0.845 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2112 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 428 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 39.881 2.406 0.806 0.813 0.929 0.857 C 2.012 B: 14 38.651 2.382 0.842 0.831 0.923 0.923 C 1.988 15 residues pruned to eliminate duplicates C: 15 46.911 2.440 0.804 0.905 1.000 0.929 CA 2.028 14 residues pruned to eliminate duplicates D: 13 54.426 2.555 1.099 0.915 1.000 0.917 CB 2.071 15 residues pruned to eliminate duplicates E: 15 43.412 2.380 0.888 0.904 0.929 0.857 C 1.980 15 residues pruned to eliminate duplicates F: 11 66.308 2.852 1.173 0.933 1.000 1.000 CB 2.362 12 residues pruned to eliminate duplicates G: 13 48.586 2.522 0.817 0.923 1.000 1.000 CA 2.150 12 residues pruned to eliminate duplicates H: 15 56.821 2.430 1.163 0.923 1.000 0.929 CB 2.030 I: 14 48.395 2.494 0.785 0.918 1.000 1.000 CB 2.126 14 residues pruned to eliminate duplicates J: 15 49.388 2.423 1.018 0.889 1.000 0.857 CA 1.945 16 residues pruned to eliminate duplicates K: 13 40.035 2.482 0.906 0.884 0.917 0.833 CB 1.925 13 residues pruned to eliminate duplicates L: 9 13.720 2.331 1.688 0.472 0.625 0.500 CB 1.274 M: 14 45.242 2.421 0.925 0.912 1.000 0.769 C 1.906 14 residues pruned to eliminate duplicates N: 18 40.089 2.318 0.624 0.950 1.000 0.941 CB 1.781 O: 12 10.845 2.008 0.726 0.360 0.727 0.636 CB 1.508 P: 14 50.870 2.544 1.187 0.867 0.923 0.923 CA 2.010 14 residues pruned to eliminate duplicates Q: 14 36.443 2.402 0.877 0.938 1.000 0.615 CB 1.559 R: 15 55.429 2.398 1.256 0.921 1.000 0.857 CA 1.927 15 residues pruned to eliminate duplicates S: 15 40.620 2.308 0.723 0.922 1.000 0.714 C 1.919 15 residues pruned to eliminate duplicates T: 16 58.841 2.483 1.334 0.830 0.933 0.667 CB 2.112 15 residues pruned to eliminate duplicates U: 14 56.187 2.531 1.107 0.938 1.000 1.000 CA 2.032 15 residues pruned to eliminate duplicates V: 38 48.267 2.581 0.832 0.492 0.865 0.595 CB 1.957 13 residues pruned to eliminate duplicates W: 19 44.107 2.372 0.698 0.915 1.000 0.833 CB 1.823 18 residues pruned to eliminate duplicates X: 11 35.577 2.447 0.782 0.886 1.000 0.800 CA 1.861 Y: 20 47.698 2.348 0.804 0.918 1.000 0.789 CB 1.823 19 residues pruned to eliminate duplicates Z: 14 44.776 2.360 1.185 0.930 1.000 0.769 CB 1.685 14 residues pruned to eliminate duplicates Z: 14 37.957 2.414 1.177 0.895 0.923 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 8 9.613 2.155 0.915 0.463 0.857 0.571 CB 1.067 8 residues pruned to eliminate duplicates Z: 13 39.169 2.426 0.787 0.928 1.000 0.833 CB 1.827 Z: 14 40.262 2.362 0.984 0.933 1.000 1.000 CB 1.663 14 residues pruned to eliminate duplicates Z: 19 51.101 2.447 0.877 0.917 1.000 0.889 CA 1.851 19 residues pruned to eliminate duplicates Z: 15 57.782 2.532 1.280 0.892 0.929 0.786 CA 2.069 15 residues pruned to eliminate duplicates Z: 18 43.547 2.488 0.535 0.941 1.000 0.941 CA 1.919 18 residues pruned to eliminate duplicates Z: 13 29.734 2.245 0.685 0.810 0.917 0.750 CA 1.889 13 residues pruned to eliminate duplicates Z: 19 45.905 2.421 0.851 0.920 0.944 0.833 CA 1.799 19 residues pruned to eliminate duplicates Z: 19 39.765 2.363 0.575 0.909 1.000 0.889 CB 1.788 19 residues pruned to eliminate duplicates Z: 14 28.505 2.161 0.908 0.908 1.000 0.615 CB 1.361 14 residues pruned to eliminate duplicates Z: 13 37.288 2.334 0.971 0.903 0.917 0.833 CB 1.820 13 residues pruned to eliminate duplicates Z: 19 50.414 2.367 0.884 0.928 1.000 0.833 CB 1.865 Z: 15 39.345 2.362 0.645 0.915 1.000 0.857 CA 1.913 15 residues pruned to eliminate duplicates Z: 14 44.654 2.446 1.373 0.923 1.000 0.615 CB 1.499 14 residues pruned to eliminate duplicates Z: 19 48.987 2.442 0.769 0.938 1.000 0.833 CA 1.859 19 residues pruned to eliminate duplicates Z: 15 52.932 2.409 1.322 0.889 0.929 0.786 CB 1.961 15 residues pruned to eliminate duplicates Z: 19 46.416 2.330 0.826 0.913 1.000 0.778 CB 1.820 19 residues pruned to eliminate duplicates Z: 18 47.210 2.429 0.704 0.939 1.000 1.000 CB 1.922 18 residues pruned to eliminate duplicates Z: 35 54.699 2.439 0.895 0.671 0.912 0.765 CB 1.901 13 residues pruned to eliminate duplicates Z: 12 25.253 2.309 0.463 0.896 0.909 0.909 CA 1.775 12 residues pruned to eliminate duplicates Z: 14 28.601 2.107 0.692 0.886 0.923 0.846 CB 1.740 14 residues pruned to eliminate duplicates Z: 13 43.896 2.545 0.721 0.890 1.000 0.750 CA 2.082 13 residues pruned to eliminate duplicates Z: 60 50.606 2.440 0.714 0.487 0.881 0.525 CB 1.811 38 residues pruned to eliminate duplicates Z: 12 30.768 2.278 0.649 0.874 1.000 0.818 CA 1.797 12 residues pruned to eliminate duplicates Z: 19 36.057 2.288 0.847 0.744 0.944 0.611 CB 1.712 Z: 18 54.775 2.418 1.005 0.950 1.000 0.882 CB 1.890 19 residues pruned to eliminate duplicates Z: 15 44.557 2.305 0.932 0.933 1.000 0.857 CB 1.865 19 residues pruned to eliminate duplicates Z: 18 56.226 2.517 0.916 0.951 1.000 0.941 CA 1.948 20 residues pruned to eliminate duplicates Z: 17 56.574 2.504 1.033 0.946 1.000 0.875 CB 1.922 18 residues pruned to eliminate duplicates Z: 16 51.028 2.375 1.156 0.919 1.000 0.800 CA 1.813 16 residues pruned to eliminate duplicates Z: 17 50.090 2.488 0.837 0.937 1.000 0.812 CB 1.906 17 residues pruned to eliminate duplicates Z: 12 35.433 2.361 0.666 0.888 1.000 0.636 C 1.958 12 residues pruned to eliminate duplicates Z: 11 28.136 2.454 0.375 0.896 1.000 0.900 CA 1.890 11 residues pruned to eliminate duplicates Z: 14 54.091 2.501 1.412 0.911 0.923 0.769 C 1.910 14 residues pruned to eliminate duplicates Z: 14 37.240 2.447 0.844 0.918 1.000 0.846 CB 1.614 14 residues pruned to eliminate duplicates Z: 19 48.765 2.351 0.869 0.940 1.000 0.833 CB 1.816 19 residues pruned to eliminate duplicates Z: 13 39.675 2.373 0.835 0.912 1.000 0.667 CB 1.863 13 residues pruned to eliminate duplicates Z: 17 51.493 2.498 0.910 0.945 1.000 0.875 CB 1.867 17 residues pruned to eliminate duplicates Z: 18 48.766 2.423 0.741 0.920 1.000 0.765 CB 1.974 18 residues pruned to eliminate duplicates Z: 17 44.908 2.471 0.626 0.942 1.000 1.000 CB 1.939 17 residues pruned to eliminate duplicates Z: 14 47.911 2.519 1.024 0.918 0.923 0.692 CA 1.991 14 residues pruned to eliminate duplicates Z: 18 46.990 2.399 0.773 0.916 1.000 0.765 CB 1.893 18 residues pruned to eliminate duplicates Z: 41 24.022 2.328 0.572 0.361 0.825 0.400 CB 1.461 41 residues pruned to eliminate duplicates Z: 25 53.467 2.622 1.185 0.601 0.875 0.750 CB 1.977 21 residues pruned to eliminate duplicates Z: 13 41.236 2.433 0.885 0.939 1.000 0.917 CB 1.803 13 residues pruned to eliminate duplicates Z: 18 49.891 2.460 0.749 0.940 1.000 0.824 CB 1.952 18 residues pruned to eliminate duplicates Z: 14 49.302 2.394 1.448 0.936 1.000 0.846 CB 1.625 14 residues pruned to eliminate duplicates Z: 38 47.347 2.559 0.792 0.490 0.892 0.541 CB 1.922 38 residues pruned to eliminate duplicates Z: 11 26.229 2.344 0.720 0.894 0.900 0.600 CA 1.640 11 residues pruned to eliminate duplicates Z: 14 46.802 2.446 1.091 0.866 1.000 0.769 CA 1.858 14 residues pruned to eliminate duplicates Z: 19 44.707 2.310 0.810 0.933 1.000 0.722 CB 1.759 19 residues pruned to eliminate duplicates Z: 19 50.864 2.452 0.826 0.939 1.000 0.778 CA 1.861 17 residues pruned to eliminate duplicates Z: 16 51.001 2.495 0.796 0.930 1.000 0.867 CB 2.056 16 residues pruned to eliminate duplicates Z: 17 51.534 2.519 0.769 0.940 1.000 0.938 CB 2.009 17 residues pruned to eliminate duplicates Z: 17 44.160 2.282 0.913 0.869 0.938 0.688 CA 1.971 17 residues pruned to eliminate duplicates Z: 12 28.728 2.128 0.857 0.815 1.000 0.636 CB 1.667 12 residues pruned to eliminate duplicates Z: 15 35.229 2.272 0.739 0.884 1.000 0.929 CB 1.721 15 residues pruned to eliminate duplicates Z: 26 33.800 2.324 0.801 0.526 0.920 0.640 CB 1.712 26 residues pruned to eliminate duplicates Z: 18 45.069 2.468 0.580 0.948 1.000 0.941 CB 1.936 18 residues pruned to eliminate duplicates Z: 20 47.235 2.358 0.789 0.915 1.000 0.895 CB 1.816 19 residues pruned to eliminate duplicates Z: 11 26.131 2.296 0.529 0.907 1.000 0.900 CA 1.672 11 residues pruned to eliminate duplicates Z: 13 13.036 2.106 0.674 0.443 0.750 0.333 CB 1.509 9 residues pruned to eliminate duplicates Z: 18 49.713 2.471 0.759 0.948 1.000 0.824 CA 1.916 18 residues pruned to eliminate duplicates Z: 17 43.333 2.462 0.639 0.941 1.000 1.000 CB 1.863 17 residues pruned to eliminate duplicates Z: 19 43.714 2.425 0.667 0.914 1.000 0.889 CA 1.803 19 residues pruned to eliminate duplicates Z: 15 35.179 2.439 0.662 0.869 0.857 0.643 CB 1.976 15 residues pruned to eliminate duplicates Z: 17 44.460 2.478 0.645 0.942 1.000 1.000 CB 1.891 17 residues pruned to eliminate duplicates Z: 15 37.336 2.308 0.974 0.803 0.929 0.643 CA 1.811 15 residues pruned to eliminate duplicates Z: 18 52.492 2.460 0.888 0.932 1.000 0.824 CB 1.914 18 residues pruned to eliminate duplicates Z: 19 10.769 1.924 0.577 0.272 0.778 0.389 CB 1.392 20 residues pruned to eliminate duplicates Z: 13 29.148 2.100 0.805 0.857 1.000 0.583 C 1.636 13 residues pruned to eliminate duplicates Z: 14 29.245 2.371 0.487 0.933 1.000 0.923 CB 1.604 14 residues pruned to eliminate duplicates Z: 14 32.422 2.180 0.791 0.928 1.000 1.000 CB 1.614 14 residues pruned to eliminate duplicates Z: 55 69.297 2.480 0.927 0.647 0.926 0.759 CB 1.857 45 residues pruned to eliminate duplicates Z: 19 46.815 2.418 0.773 0.922 1.000 0.833 CA 1.810 19 residues pruned to eliminate duplicates Z: 17 34.203 2.311 0.713 0.826 1.000 0.625 CB 1.629 17 residues pruned to eliminate duplicates Z: 11 21.533 2.134 0.660 0.860 1.000 0.700 CA 1.413 11 residues pruned to eliminate duplicates Z: 14 33.898 2.270 0.823 0.925 1.000 0.846 CB 1.594 14 residues pruned to eliminate duplicates Z: 12 18.334 2.602 0.582 0.470 0.818 0.545 CB 1.692 12 residues pruned to eliminate duplicates Z: 14 28.800 2.394 0.532 0.902 1.000 0.923 CB 1.553 14 residues pruned to eliminate duplicates Z: 11 26.077 2.185 0.687 0.901 0.900 0.800 C 1.774 11 residues pruned to eliminate duplicates Z: 18 41.424 2.341 0.634 0.921 1.000 1.000 CB 1.848 18 residues pruned to eliminate duplicates Z: 40 29.599 2.199 0.823 0.459 0.872 0.487 CB 1.414 Z: 16 51.930 2.518 0.849 0.959 1.000 0.933 CB 1.974 16 residues pruned to eliminate duplicates Z: 15 36.384 2.108 1.166 0.945 0.929 0.929 CA 1.588 15 residues pruned to eliminate duplicates Z: 13 22.497 2.003 0.869 0.833 0.833 0.583 CB 1.561 Z: 14 62.955 2.556 1.333 0.928 1.000 0.769 CA 2.050 14 residues pruned to eliminate duplicates Z: 12 24.772 2.214 0.373 0.900 1.000 0.909 C 1.755 12 residues pruned to eliminate duplicates Z: 16 47.258 2.507 0.641 0.926 1.000 0.867 CB 2.080 16 residues pruned to eliminate duplicates Z: 13 31.164 2.346 0.666 0.915 1.000 0.917 CB 1.626 13 residues pruned to eliminate duplicates Z: 17 50.232 2.442 0.890 0.939 1.000 0.812 CB 1.891 17 residues pruned to eliminate duplicates Z: 18 46.019 2.444 0.701 0.925 1.000 0.941 CB 1.884 18 residues pruned to eliminate duplicates Z: 23 31.486 2.134 0.732 0.711 0.909 0.773 CB 1.649 13 residues pruned to eliminate duplicates Z: 18 31.330 2.216 0.750 0.792 0.882 0.765 CB 1.719 18 residues pruned to eliminate duplicates Z: 8 14.444 2.195 0.693 0.492 0.857 0.714 CB 1.728 Z: 13 30.737 2.030 1.094 0.910 1.000 0.750 C 1.480 12 residues pruned to eliminate duplicates Z: 18 49.232 2.447 0.850 0.929 1.000 0.824 CB 1.846 18 residues pruned to eliminate duplicates Z: 52 76.881 2.497 0.970 0.695 0.941 0.706 CB 1.947 51 residues pruned to eliminate duplicates Z: 29 43.449 2.477 0.865 0.552 0.893 0.643 CB 1.892 32 residues pruned to eliminate duplicates Z: 19 55.957 2.453 1.063 0.939 1.000 0.889 CA 1.811 19 residues pruned to eliminate duplicates Z: 12 40.017 2.501 1.159 0.922 1.000 0.818 CB 1.572 12 residues pruned to eliminate duplicates Z: 11 34.683 2.263 0.876 0.912 1.000 0.800 C 1.829 11 residues pruned to eliminate duplicates Z: 31 48.181 2.345 0.849 0.642 0.967 0.733 CB 1.838 29 residues pruned to eliminate duplicates Z: 14 21.250 1.935 0.773 0.564 1.000 0.692 CB 1.615 14 residues pruned to eliminate duplicates Z: 18 46.705 2.472 0.645 0.955 1.000 0.941 CB 1.915 18 residues pruned to eliminate duplicates Z: 16 28.813 2.282 0.540 0.862 0.933 0.867 CB 1.666 16 residues pruned to eliminate duplicates Z: 15 46.191 2.193 1.305 0.939 1.000 1.000 CB 1.697 16 residues pruned to eliminate duplicates Z: 18 47.591 2.519 0.667 0.910 1.000 0.824 CB 1.949 18 residues pruned to eliminate duplicates Z: 36 56.778 2.404 0.885 0.679 0.971 0.800 CB 1.850 40 residues pruned to eliminate duplicates Z: 13 44.309 2.415 1.006 0.935 1.000 0.750 CB 1.841 13 residues pruned to eliminate duplicates Z: 14 56.887 2.489 1.438 0.934 0.923 0.846 CA 1.964 14 residues pruned to eliminate duplicates Z: 8 14.293 2.352 0.236 0.495 1.000 0.714 CA 1.866 8 residues pruned to eliminate duplicates Z: 19 35.873 2.244 0.717 0.743 1.000 0.667 CA 1.766 19 residues pruned to eliminate duplicates Z: 14 28.543 2.075 0.757 0.863 1.000 0.846 CB 1.593 14 residues pruned to eliminate duplicates Z: 14 42.647 2.247 1.144 0.937 1.000 0.846 CB 1.709 14 residues pruned to eliminate duplicates Z: 52 61.259 2.357 0.770 0.699 0.941 0.667 CB 1.822 52 residues pruned to eliminate duplicates Z: 52 67.479 2.527 0.769 0.689 0.922 0.804 CB 1.929 52 residues pruned to eliminate duplicates Z: 18 27.234 2.288 0.387 0.785 0.882 0.765 CA 1.835 18 residues pruned to eliminate duplicates Z: 50 35.755 2.276 0.541 0.472 0.898 0.612 CB 1.668 58 residues pruned to eliminate duplicates Z: 14 26.352 2.252 0.503 0.911 1.000 0.846 CB 1.531 14 residues pruned to eliminate duplicates Z: 15 28.129 2.174 0.696 0.866 0.929 0.857 CB 1.607 15 residues pruned to eliminate duplicates Z: 12 25.518 2.114 0.610 0.873 1.000 1.000 CA 1.646 12 residues pruned to eliminate duplicates Z: 43 39.977 2.347 0.820 0.434 0.929 0.595 CB 1.665 43 residues pruned to eliminate duplicates Z: 11 30.149 2.221 1.093 0.873 1.000 0.700 CA 1.494 11 residues pruned to eliminate duplicates Z: 12 22.338 2.085 0.850 0.562 1.000 0.727 CA 1.644 12 residues pruned to eliminate duplicates Z: 14 36.302 2.494 0.696 0.851 0.923 0.923 CB 1.909 14 residues pruned to eliminate duplicates Z: 17 49.614 2.522 0.741 0.948 1.000 0.812 CB 1.951 17 residues pruned to eliminate duplicates Z: 51 67.667 2.530 0.734 0.704 0.940 0.720 CB 1.928 51 residues pruned to eliminate duplicates Z: 12 8.322 2.180 0.512 0.222 0.727 0.455 CB 1.450 12 residues pruned to eliminate duplicates Z: 16 63.854 2.506 1.554 0.816 0.933 0.800 C 2.096 16 residues pruned to eliminate duplicates Z: 14 27.695 2.257 0.512 0.927 1.000 0.846 CB 1.578 14 residues pruned to eliminate duplicates Z: 17 53.203 2.421 0.964 0.915 1.000 0.812 CB 1.977 23 residues pruned to eliminate duplicates Z: 12 23.202 2.125 0.925 0.581 0.909 0.727 C 1.739 14 residues pruned to eliminate duplicates Z: 15 30.540 2.293 0.626 0.851 0.929 0.714 CB 1.745 15 residues pruned to eliminate duplicates Z: 15 35.581 2.242 0.772 0.895 1.000 0.929 CB 1.716 15 residues pruned to eliminate duplicates Z: 18 48.519 2.355 0.868 0.920 1.000 0.882 CB 1.884 18 residues pruned to eliminate duplicates Z: 41 25.663 2.102 0.625 0.409 0.900 0.550 CB 1.452 41 residues pruned to eliminate duplicates Z: 12 23.210 2.033 0.553 0.885 1.000 0.818 C 1.600 12 residues pruned to eliminate duplicates Z: 37 42.314 2.466 0.835 0.485 0.861 0.556 CB 1.838 37 residues pruned to eliminate duplicates Z: 13 19.999 2.091 1.260 0.441 0.833 0.750 CB 1.559 11 residues pruned to eliminate duplicates Z: 8 4.842 1.948 0.117 0.490 0.714 0.286 CB 1.190 8 residues pruned to eliminate duplicates Z: 27 45.947 2.543 0.960 0.606 0.846 0.692 CB 1.931 27 residues pruned to eliminate duplicates Z: 18 51.202 2.388 0.945 0.931 1.000 0.882 CB 1.869 18 residues pruned to eliminate duplicates Z: 17 44.857 2.468 0.780 0.926 1.000 0.812 CB 1.791 17 residues pruned to eliminate duplicates Z: 18 38.213 2.197 0.834 0.840 1.000 0.824 CB 1.717 18 residues pruned to eliminate duplicates Z: 13 37.388 2.459 0.825 0.902 1.000 0.917 CB 1.714 13 residues pruned to eliminate duplicates Z: 18 35.168 2.168 0.841 0.831 0.941 0.529 CA 1.706 18 residues pruned to eliminate duplicates Z: 10 13.581 2.024 0.724 0.415 0.889 0.667 CB 1.596 10 residues pruned to eliminate duplicates Z: 18 23.546 2.107 0.393 0.837 0.882 0.824 CB 1.650 18 residues pruned to eliminate duplicates Z: 17 18.527 2.237 0.687 0.438 0.812 0.438 CB 1.610 17 residues pruned to eliminate duplicates Z: 15 11.039 2.017 0.524 0.393 0.857 0.500 CB 1.254 13 residues pruned to eliminate duplicates Z: 18 27.010 2.180 0.590 0.831 0.824 0.765 CB 1.724 18 residues pruned to eliminate duplicates Z: 18 14.665 2.038 0.734 0.419 0.765 0.471 CB 1.433 18 residues pruned to eliminate duplicates Z: 14 39.179 2.376 0.698 0.911 1.000 0.846 CB 1.909 14 residues pruned to eliminate duplicates Z: 16 52.147 2.438 1.315 0.834 0.933 0.800 CB 1.916 16 residues pruned to eliminate duplicates Z: 13 12.866 2.346 0.334 0.416 0.833 0.583 CB 1.555 13 residues pruned to eliminate duplicates Z: 13 37.101 2.289 0.762 0.895 1.000 0.917 C 1.903 13 residues pruned to eliminate duplicates Z: 16 23.908 2.015 0.442 0.923 1.000 0.933 CB 1.493 16 residues pruned to eliminate duplicates Z: 29 27.720 2.254 0.685 0.493 0.821 0.536 CB 1.692 29 residues pruned to eliminate duplicates Z: 24 23.284 2.075 0.848 0.462 0.870 0.565 CB 1.514 25 residues pruned to eliminate duplicates Z: 8 13.637 2.469 0.407 0.421 0.857 0.571 CB 1.879 8 residues pruned to eliminate duplicates Z: 12 13.142 1.882 1.095 0.436 0.727 0.636 C 1.476 12 residues pruned to eliminate duplicates Z: 18 49.719 2.400 0.935 0.930 1.000 0.941 CB 1.816 18 residues pruned to eliminate duplicates Z: 18 37.851 2.190 0.802 0.848 1.000 0.882 CB 1.726 18 residues pruned to eliminate duplicates Z: 52 50.977 2.367 0.861 0.528 0.843 0.588 CB 1.870 52 residues pruned to eliminate duplicates Z: 16 34.291 2.380 0.702 0.796 0.933 0.667 CB 1.808 16 residues pruned to eliminate duplicates Z: 18 27.913 2.104 0.644 0.822 0.882 0.824 CA 1.678 18 residues pruned to eliminate duplicates Z: 44 35.313 2.299 0.780 0.437 0.767 0.558 CB 1.829 44 residues pruned to eliminate duplicates Z: 18 31.661 2.196 0.646 0.813 0.941 0.706 CA 1.719 18 residues pruned to eliminate duplicates Z: 16 32.607 2.192 0.926 0.831 0.867 0.533 CB 1.729 16 residues pruned to eliminate duplicates Z: 22 43.158 2.324 0.776 0.755 1.000 0.714 CB 1.819 21 residues pruned to eliminate duplicates Z: 13 42.564 2.295 1.110 0.926 1.000 0.833 CB 1.779 13 residues pruned to eliminate duplicates Z: 17 35.762 2.431 0.452 0.899 1.000 0.812 CB 1.810 17 residues pruned to eliminate duplicates Z: 15 30.670 2.216 0.604 0.932 1.000 0.857 CB 1.610 15 residues pruned to eliminate duplicates Z: 18 27.725 2.105 0.581 0.828 0.941 0.765 CB 1.617 18 residues pruned to eliminate duplicates Z: 53 69.211 2.497 0.778 0.684 0.962 0.769 CB 1.899 53 residues pruned to eliminate duplicates Z: 8 13.774 1.836 1.037 0.529 1.000 0.714 C 1.353 8 residues pruned to eliminate duplicates Z: 40 41.789 2.374 0.815 0.494 0.872 0.615 CB 1.792 43 residues pruned to eliminate duplicates Z: 12 20.738 2.009 0.774 0.551 1.000 0.727 CB 1.670 12 residues pruned to eliminate duplicates Z: 16 25.372 1.910 0.785 0.834 1.000 0.467 CA 1.440 16 residues pruned to eliminate duplicates Z: 19 53.617 2.432 1.059 0.919 1.000 0.778 CA 1.779 19 residues pruned to eliminate duplicates Z: 19 41.942 2.287 0.720 0.922 1.000 0.833 CB 1.767 19 residues pruned to eliminate duplicates Z: 30 40.591 2.301 0.957 0.544 0.862 0.724 CB 1.860 26 residues pruned to eliminate duplicates Z: 10 5.095 1.811 0.599 0.261 0.667 0.444 CB 1.155 10 residues pruned to eliminate duplicates Z: 18 20.371 2.207 0.780 0.467 0.882 0.529 CB 1.474 18 residues pruned to eliminate duplicates Z: 6 7.452 1.816 0.302 0.597 1.000 0.600 CA 1.284 6 residues pruned to eliminate duplicates Z: 18 34.815 2.155 0.815 0.864 0.941 0.941 CA 1.682 18 residues pruned to eliminate duplicates Z: 51 40.095 2.289 0.650 0.469 0.880 0.480 CB 1.761 51 residues pruned to eliminate duplicates Z: 51 78.602 2.534 0.943 0.710 0.960 0.720 CB 1.944 51 residues pruned to eliminate duplicates Z: 11 12.941 2.336 0.664 0.538 0.800 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 49 79.390 2.555 0.917 0.707 0.979 0.708 CB 1.980 49 residues pruned to eliminate duplicates Z: 14 16.109 2.290 0.713 0.341 0.846 0.615 CB 1.601 Z: 18 33.677 2.178 0.698 0.804 1.000 0.706 CA 1.694 18 residues pruned to eliminate duplicates Z: 37 43.483 2.450 0.772 0.501 0.917 0.639 CB 1.819 37 residues pruned to eliminate duplicates Z: 23 25.084 2.162 0.752 0.427 0.955 0.500 CB 1.596 23 residues pruned to eliminate duplicates Z: 14 27.708 2.073 0.624 0.945 1.000 0.923 CB 1.580 14 residues pruned to eliminate duplicates Z: 29 28.119 2.108 0.928 0.422 0.857 0.571 CB 1.655 29 residues pruned to eliminate duplicates Z: 13 32.366 2.381 0.539 0.900 1.000 0.833 CB 1.822 13 residues pruned to eliminate duplicates Z: 17 31.953 2.240 0.726 0.703 1.000 0.750 CB 1.717 17 residues pruned to eliminate duplicates Z: 18 61.874 2.493 1.142 0.950 1.000 0.882 CA 1.939 22 residues pruned to eliminate duplicates Z: 9 3.635 1.632 0.322 0.228 0.750 0.500 C 1.091 9 residues pruned to eliminate duplicates Z: 18 36.745 2.335 0.702 0.776 1.000 0.647 CB 1.757 19 residues pruned to eliminate duplicates Z: 7 9.495 1.864 0.918 0.476 0.833 0.833 CA 1.333 7 residues pruned to eliminate duplicates Z: 20 19.492 2.114 0.614 0.492 0.895 0.684 CB 1.476 20 residues pruned to eliminate duplicates Z: 14 32.798 2.318 0.723 0.903 1.000 0.692 CB 1.623 14 residues pruned to eliminate duplicates Z: 10 8.532 2.241 0.478 0.182 0.667 0.333 CB 1.888 10 residues pruned to eliminate duplicates Z: 27 41.229 2.571 0.845 0.557 0.846 0.615 CB 1.905 27 residues pruned to eliminate duplicates Z: 26 34.304 2.297 0.726 0.659 0.880 0.720 CB 1.696 26 residues pruned to eliminate duplicates Z: 11 26.643 2.219 0.841 0.854 1.000 0.800 CA 1.523 11 residues pruned to eliminate duplicates Z: 6 18.567 2.339 0.774 0.723 1.000 0.800 CA 1.636 6 residues pruned to eliminate duplicates Z: 29 50.187 2.387 0.898 0.659 0.964 0.750 CB 1.873 25 residues pruned to eliminate duplicates Z: 18 28.952 2.094 0.662 0.822 0.941 0.765 CB 1.621 18 residues pruned to eliminate duplicates Z: 20 34.215 2.231 0.712 0.772 0.947 0.684 CB 1.706 20 residues pruned to eliminate duplicates Z: 14 36.233 2.268 0.976 0.927 1.000 0.769 CB 1.571 14 residues pruned to eliminate duplicates Z: 23 16.484 2.115 0.628 0.377 0.818 0.455 CB 1.423 23 residues pruned to eliminate duplicates Z: 6 12.131 1.992 0.571 0.564 1.000 0.800 C 1.630 6 residues pruned to eliminate duplicates Z: 58 52.850 2.355 0.798 0.505 0.877 0.561 CB 1.875 59 residues pruned to eliminate duplicates Z: 26 28.597 2.229 0.831 0.505 0.880 0.640 CB 1.585 26 residues pruned to eliminate duplicates Z: 16 10.089 2.158 0.256 0.271 0.867 0.533 CB 1.438 16 residues pruned to eliminate duplicates Z: 8 14.714 1.893 0.715 0.558 1.000 0.857 C 1.619 7 residues pruned to eliminate duplicates Z: 17 54.865 2.503 0.861 0.945 1.000 0.875 CB 2.037 17 residues pruned to eliminate duplicates Z: 18 35.658 2.119 0.817 0.860 1.000 0.824 CB 1.652 18 residues pruned to eliminate duplicates Z: 6 9.331 1.430 0.879 0.797 1.000 1.000 N 1.198 6 residues pruned to eliminate duplicates Z: 18 25.861 2.163 0.367 0.828 0.941 0.706 CA 1.697 18 residues pruned to eliminate duplicates Z: 13 37.070 2.416 0.689 0.930 1.000 0.917 CB 1.835 13 residues pruned to eliminate duplicates Z: 15 39.752 2.350 0.778 0.891 1.000 1.000 CA 1.828 15 residues pruned to eliminate duplicates Z: 27 51.227 2.427 0.826 0.744 0.962 0.885 CB 1.895 27 residues pruned to eliminate duplicates Z: 12 37.218 2.474 0.976 0.936 1.000 0.818 CB 1.598 12 residues pruned to eliminate duplicates Z: 17 32.413 2.187 0.879 0.862 0.875 0.750 CB 1.655 17 residues pruned to eliminate duplicates Z: 9 8.901 2.056 0.693 0.285 0.750 0.500 CB 1.536 9 residues pruned to eliminate duplicates Z: 13 36.206 2.442 0.771 0.914 1.000 0.833 CB 1.709 13 residues pruned to eliminate duplicates Z: 25 29.861 2.302 0.777 0.498 0.958 0.583 CB 1.558 39 residues pruned to eliminate duplicates Z: 10 17.276 2.154 0.946 0.649 0.889 0.556 CB 1.345 8 residues pruned to eliminate duplicates Z: 9 13.004 2.249 0.536 0.366 0.875 0.625 CA 1.756 9 residues pruned to eliminate duplicates Z: 12 38.590 2.298 0.886 0.908 1.000 1.000 CA 1.907 12 residues pruned to eliminate duplicates Z: 14 39.394 2.448 1.028 0.903 1.000 0.923 CB 1.569 14 residues pruned to eliminate duplicates Z: 45 57.614 2.377 0.913 0.679 0.955 0.773 CB 1.698 45 residues pruned to eliminate duplicates Z: 11 5.822 1.669 0.412 0.301 0.800 0.200 CB 1.218 11 residues pruned to eliminate duplicates Z: 6 6.020 2.063 0.081 0.471 0.800 0.400 CB 1.553 6 residues pruned to eliminate duplicates Z: 47 64.280 2.382 0.914 0.702 0.935 0.761 CB 1.851 47 residues pruned to eliminate duplicates Z: 8 6.113 2.274 0.753 0.334 0.714 0.429 CB 0.973 8 residues pruned to eliminate duplicates Z: 15 21.550 1.939 0.560 0.847 0.929 0.429 CA 1.522 15 residues pruned to eliminate duplicates Z: 10 21.527 2.032 0.952 0.604 1.000 0.889 CB 1.639 10 residues pruned to eliminate duplicates Z: 11 12.915 2.014 0.958 0.530 0.800 0.500 CB 1.257 11 residues pruned to eliminate duplicates Z: 15 23.418 2.137 0.598 0.846 0.929 0.929 CB 1.466 15 residues pruned to eliminate duplicates Z: 15 37.070 2.268 0.626 0.889 1.000 0.929 C 1.935 15 residues pruned to eliminate duplicates Z: 14 55.186 2.471 1.366 0.910 0.923 0.846 CA 2.012 14 residues pruned to eliminate duplicates Z: 15 31.776 2.029 0.883 0.926 1.000 0.571 CB 1.558 15 residues pruned to eliminate duplicates Z: 10 8.590 2.232 0.297 0.261 0.778 0.444 CB 1.671 10 residues pruned to eliminate duplicates Z: 13 19.734 1.895 1.003 0.605 0.917 0.583 CB 1.482 13 residues pruned to eliminate duplicates Z: 15 29.425 2.210 0.669 0.831 1.000 0.857 CB 1.601 15 residues pruned to eliminate duplicates Z: 14 25.964 2.254 0.601 0.858 0.923 0.923 CB 1.591 14 residues pruned to eliminate duplicates Z: 17 19.718 2.160 0.485 0.463 0.875 0.750 CB 1.824 24 residues pruned to eliminate duplicates Z: 66 70.239 2.336 0.980 0.616 0.954 0.677 CB 1.770 78 residues pruned to eliminate duplicates Z: 8 4.553 1.796 0.196 0.269 0.857 0.429 CB 1.216 8 residues pruned to eliminate duplicates Z: 14 31.191 2.288 0.742 0.880 1.000 0.769 CB 1.574 14 residues pruned to eliminate duplicates Z: 15 54.531 2.380 1.219 0.929 1.000 0.857 CA 1.931 15 residues pruned to eliminate duplicates Z: 13 6.372 1.920 0.751 0.245 0.583 0.417 CB 1.259 Z: 43 61.635 2.477 0.922 0.646 0.952 0.667 CB 1.830 43 residues pruned to eliminate duplicates Z: 15 9.759 1.817 0.538 0.547 0.929 0.357 CB 0.960 15 residues pruned to eliminate duplicates Z: 10 22.406 2.250 0.453 0.894 0.889 0.778 C 1.844 10 residues pruned to eliminate duplicates Z: 11 58.967 2.616 1.372 0.906 1.000 0.900 CB 2.137 11 residues pruned to eliminate duplicates Z: 12 11.781 2.144 0.662 0.353 0.818 0.364 CB 1.429 13 residues pruned to eliminate duplicates Z: 33 52.599 2.329 0.906 0.703 0.969 0.656 CB 1.797 33 residues pruned to eliminate duplicates Z: 14 44.313 2.520 0.920 0.820 0.923 0.846 CB 2.084 14 residues pruned to eliminate duplicates Z: 6 15.421 1.924 1.628 0.623 0.800 0.600 C 1.519 6 residues pruned to eliminate duplicates Z: 15 26.323 2.097 0.482 0.901 1.000 1.000 CB 1.616 15 residues pruned to eliminate duplicates Z: 31 24.635 2.069 0.828 0.339 0.833 0.500 CB 1.701 31 residues pruned to eliminate duplicates Z: 18 33.858 2.370 0.712 0.630 0.941 0.882 CB 1.902 18 residues pruned to eliminate duplicates Z: 32 36.447 2.357 0.518 0.566 0.935 0.613 CB 1.834 32 residues pruned to eliminate duplicates Z: 14 50.505 2.386 1.499 0.951 1.000 0.923 CB 1.618 14 residues pruned to eliminate duplicates Z: 55 76.200 2.405 1.073 0.685 0.981 0.722 CB 1.789 55 residues pruned to eliminate duplicates Z: 17 38.300 2.363 0.707 0.920 0.938 0.812 CA 1.783 17 residues pruned to eliminate duplicates Z: 38 40.575 2.229 0.655 0.629 0.919 0.757 CB 1.744 38 residues pruned to eliminate duplicates Z: 14 32.865 2.363 0.723 0.931 1.000 0.846 CB 1.565 14 residues pruned to eliminate duplicates Z: 51 62.722 2.405 0.935 0.637 0.940 0.680 CB 1.782 51 residues pruned to eliminate duplicates Z: 18 19.555 2.007 0.538 0.514 0.941 0.647 CB 1.609 18 residues pruned to eliminate duplicates Z: 17 33.759 2.290 0.545 0.919 1.000 0.875 CB 1.681 17 residues pruned to eliminate duplicates Z: 39 40.670 2.467 0.859 0.484 0.842 0.526 CB 1.736 39 residues pruned to eliminate duplicates Z: 8 4.455 1.597 0.203 0.320 0.857 0.571 C 1.246 8 residues pruned to eliminate duplicates Z: 27 22.307 1.795 0.736 0.598 0.962 0.654 CB 1.330 27 residues pruned to eliminate duplicates Z: 7 4.871 1.478 0.107 0.780 0.833 0.667 CB 1.140 7 residues pruned to eliminate duplicates Z: 9 12.811 2.176 0.572 0.351 0.875 0.500 C 1.778 9 residues pruned to eliminate duplicates Z: 15 29.839 2.067 0.873 0.771 1.000 0.786 CA 1.621 15 residues pruned to eliminate duplicates Z: 18 53.918 2.438 1.024 0.919 1.000 0.824 CB 1.868 18 residues pruned to eliminate duplicates Z: 15 37.618 2.152 1.030 0.912 1.000 0.857 CB 1.630 15 residues pruned to eliminate duplicates Z: 12 26.015 2.095 0.910 0.916 1.000 0.727 CA 1.385 12 residues pruned to eliminate duplicates Z: 18 29.545 2.050 0.781 0.871 0.882 0.647 CB 1.622 18 residues pruned to eliminate duplicates Z: 19 30.427 2.165 0.661 0.886 0.944 0.667 CB 1.523 19 residues pruned to eliminate duplicates Z: 7 3.305 1.571 0.213 0.586 0.667 0.500 CA 0.978 Z: 60 43.223 2.300 0.721 0.478 0.864 0.542 CB 1.682 60 residues pruned to eliminate duplicates Z: 14 42.711 2.773 1.236 0.448 0.923 0.615 CA 2.183 14 residues pruned to eliminate duplicates Z: 6 8.320 1.892 0.371 0.743 1.000 0.600 CA 1.154 6 residues pruned to eliminate duplicates Z: 15 41.264 2.452 1.062 0.544 1.000 0.643 CA 2.089 15 residues pruned to eliminate duplicates Z: 34 56.629 2.476 1.011 0.636 0.970 0.667 CB 1.797 34 residues pruned to eliminate duplicates Z: 15 32.171 2.121 0.873 0.911 1.000 0.857 CB 1.535 15 residues pruned to eliminate duplicates Z: 7 11.998 1.933 0.534 0.724 1.000 0.833 CB 1.349 Z: 56 69.124 2.450 0.923 0.661 0.945 0.727 CB 1.802 56 residues pruned to eliminate duplicates Z: 41 42.447 2.243 0.638 0.613 0.900 0.750 CB 1.824 41 residues pruned to eliminate duplicates Z: 16 30.320 2.111 0.879 0.732 1.000 0.800 CB 1.602 16 residues pruned to eliminate duplicates Z: 26 47.788 2.370 0.642 0.783 1.000 0.800 CA 1.913 26 residues pruned to eliminate duplicates Z: 38 54.163 2.500 0.737 0.644 0.946 0.784 CB 1.894 38 residues pruned to eliminate duplicates Z: 7 12.661 2.468 1.384 0.513 0.667 0.500 CB 1.300 7 residues pruned to eliminate duplicates Z: 27 43.202 2.402 1.164 0.550 0.885 0.577 CB 1.754 27 residues pruned to eliminate duplicates Z: 12 22.194 2.073 0.903 0.617 0.909 0.727 C 1.671 12 residues pruned to eliminate duplicates Z: 38 51.711 2.415 0.653 0.666 0.946 0.811 CB 1.930 38 residues pruned to eliminate duplicates Z: 6 6.803 1.836 0.658 0.440 0.800 0.400 CB 1.330 6 residues pruned to eliminate duplicates Z: 60 49.455 2.530 0.656 0.480 0.864 0.644 CB 1.814 60 residues pruned to eliminate duplicates 7 1.959 1.744 0.170 0.257 0.667 0.500 CB 0.777 ? Z: 12 12.846 1.911 0.610 0.449 0.909 0.636 CB 1.459 12 residues pruned to eliminate duplicates Z: 13 16.480 2.179 0.589 0.390 1.000 0.667 CB 1.544 13 residues pruned to eliminate duplicates Z: 10 27.528 2.362 1.064 0.609 0.889 0.889 CA 1.909 10 residues pruned to eliminate duplicates Z: 44 71.229 2.490 1.037 0.676 0.977 0.814 CB 1.865 44 residues pruned to eliminate duplicates Z: 27 22.822 2.411 0.500 0.349 0.885 0.500 CB 1.647 27 residues pruned to eliminate duplicates Z: 45 60.879 2.425 0.939 0.649 0.955 0.727 CB 1.780 45 residues pruned to eliminate duplicates Z: 24 40.081 2.240 0.790 0.653 1.000 0.783 CB 1.807 24 residues pruned to eliminate duplicates Z: 18 47.036 2.493 0.568 0.884 1.000 0.882 CA 2.110 Z: 6 12.129 2.103 0.426 0.514 1.000 0.600 CA 1.784 6 residues pruned to eliminate duplicates Z: 14 21.380 2.055 0.789 0.720 0.923 0.923 CA 1.432 14 residues pruned to eliminate duplicates Z: 30 46.291 2.352 0.866 0.634 0.966 0.690 CB 1.789 30 residues pruned to eliminate duplicates Z: 12 22.209 2.193 0.463 0.828 1.000 0.727 CA 1.572 12 residues pruned to eliminate duplicates Z: 19 26.585 2.359 0.833 0.332 0.944 0.611 CB 1.845 19 residues pruned to eliminate duplicates Z: 16 4.231 1.559 0.337 0.233 0.600 0.400 CB 1.192 16 residues pruned to eliminate duplicates Z: 7 6.978 1.525 0.649 0.550 0.833 0.667 CB 1.295 Z: 6 3.916 1.648 0.662 0.411 0.600 0.400 C 1.170 6 residues pruned to eliminate duplicates Z: 10 20.865 2.080 0.693 0.798 1.000 1.000 CB 1.522 10 residues pruned to eliminate duplicates Z: 6 15.611 2.263 0.945 0.501 1.000 0.800 CB 1.585 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 12.846 2.135 0.780 0.389 0.818 0.455 CB 1.401 12 residues pruned to eliminate duplicates Z: 12 16.831 2.390 0.980 0.376 0.727 0.545 CB 1.683 12 residues pruned to eliminate duplicates Z: 10 12.751 2.108 0.918 0.391 0.778 0.444 CB 1.518 10 residues pruned to eliminate duplicates Z: 29 39.464 2.433 0.846 0.542 0.893 0.714 CB 1.785 29 residues pruned to eliminate duplicates Z: 25 52.034 2.664 1.070 0.584 0.875 0.708 CB 2.031 25 residues pruned to eliminate duplicates Z: 10 14.033 2.005 1.140 0.464 0.778 0.556 CB 1.454 10 residues pruned to eliminate duplicates Z: 13 18.494 2.251 1.242 0.355 0.750 0.500 CB 1.650 13 residues pruned to eliminate duplicates Z: 25 50.999 2.599 1.000 0.578 0.917 0.750 CB 2.026 25 residues pruned to eliminate duplicates Z: 20 52.107 2.705 0.904 0.617 0.947 0.632 CB 2.194 20 residues pruned to eliminate duplicates Z: 27 36.664 2.518 0.735 0.492 0.846 0.615 CB 1.961 27 residues pruned to eliminate duplicates Z: 19 41.110 2.688 0.755 0.585 0.889 0.722 CB 2.130 19 residues pruned to eliminate duplicates Z: 20 46.120 2.638 0.870 0.609 0.895 0.579 CB 2.162 20 residues pruned to eliminate duplicates Z: 20 44.463 2.564 0.973 0.542 0.895 0.632 CB 2.162 20 residues pruned to eliminate duplicates Z: 30 38.900 2.364 0.834 0.510 0.897 0.552 CB 1.841 30 residues pruned to eliminate duplicates Z: 20 44.106 2.683 0.739 0.597 0.947 0.632 CB 2.087 20 residues pruned to eliminate duplicates Z: 18 49.843 2.672 1.070 0.660 0.882 0.765 CB 2.135 18 residues pruned to eliminate duplicates Z: 21 40.368 2.556 0.973 0.570 0.850 0.600 CB 1.967 21 residues pruned to eliminate duplicates Z: 20 42.594 2.563 0.882 0.596 0.895 0.579 CA 2.065 20 residues pruned to eliminate duplicates Z: 27 42.469 2.487 0.811 0.566 0.885 0.731 CB 1.960 27 residues pruned to eliminate duplicates Z: 59 50.251 2.444 0.762 0.504 0.845 0.517 CB 1.807 59 residues pruned to eliminate duplicates Z: 26 42.799 2.647 0.847 0.513 0.840 0.640 CB 2.057 26 residues pruned to eliminate duplicates Z: 20 47.597 2.648 0.899 0.606 0.895 0.684 CB 2.194 20 residues pruned to eliminate duplicates Z: 26 34.657 2.526 0.666 0.519 0.840 0.600 CB 1.924 26 residues pruned to eliminate duplicates Z: 19 50.426 2.669 0.881 0.628 0.944 0.556 CA 2.223 19 residues pruned to eliminate duplicates Z: 36 33.936 2.418 0.578 0.465 0.857 0.571 CB 1.818 36 residues pruned to eliminate duplicates Z: 46 36.519 2.427 0.681 0.430 0.844 0.578 CB 1.699 46 residues pruned to eliminate duplicates Z: 33 43.735 2.549 0.758 0.514 0.875 0.562 CB 1.946 33 residues pruned to eliminate duplicates Z: 34 38.938 2.532 0.678 0.512 0.848 0.606 CB 1.859 34 residues pruned to eliminate duplicates Z: 30 43.244 2.525 0.989 0.458 0.897 0.517 CB 1.862 30 residues pruned to eliminate duplicates Z: 21 17.187 2.316 0.468 0.350 0.850 0.350 CB 1.565 21 residues pruned to eliminate duplicates Z: 48 41.015 2.486 0.775 0.393 0.851 0.511 CB 1.785 48 residues pruned to eliminate duplicates Z: 32 41.540 2.613 0.896 0.434 0.839 0.516 CB 1.922 32 residues pruned to eliminate duplicates Z: 16 15.109 2.211 0.479 0.402 0.867 0.600 CB 1.527 16 residues pruned to eliminate duplicates Z: 19 22.192 2.379 0.669 0.353 0.889 0.500 CB 1.738 19 residues pruned to eliminate duplicates Z: 9 14.399 2.357 0.421 0.329 1.000 0.500 CB 1.833 9 residues pruned to eliminate duplicates Z: 43 38.776 2.450 0.746 0.435 0.857 0.548 CB 1.746 43 residues pruned to eliminate duplicates Z: 39 45.376 2.563 0.950 0.490 0.816 0.526 CB 1.824 39 residues pruned to eliminate duplicates Z: 20 17.999 2.429 0.513 0.310 0.789 0.421 CB 1.757 20 residues pruned to eliminate duplicates Z: 12 9.664 2.020 0.560 0.277 0.727 0.364 C 1.636 12 residues pruned to eliminate duplicates Z: 69 43.711 2.410 0.623 0.425 0.853 0.529 CB 1.718 69 residues pruned to eliminate duplicates Z: 37 32.879 2.363 0.754 0.385 0.833 0.417 CB 1.794 37 residues pruned to eliminate duplicates Z: 21 16.901 2.388 0.363 0.277 0.850 0.400 CB 1.759 21 residues pruned to eliminate duplicates Z: 47 35.792 2.436 0.714 0.412 0.804 0.413 CB 1.723 47 residues pruned to eliminate duplicates Z: 38 45.606 2.575 0.708 0.476 0.892 0.595 CB 1.959 38 residues pruned to eliminate duplicates Z: 48 47.683 2.367 0.770 0.535 0.872 0.596 CB 1.839 78 residues pruned to eliminate duplicates Z: 58 63.248 2.573 0.903 0.489 0.912 0.596 CB 1.896 58 residues pruned to eliminate duplicates Z: 25 19.994 2.099 0.697 0.372 0.875 0.500 CB 1.501 25 residues pruned to eliminate duplicates Z: 60 57.385 2.578 0.765 0.481 0.881 0.542 CB 1.899 60 residues pruned to eliminate duplicates Z: 17 16.381 2.185 0.728 0.402 0.812 0.438 CB 1.480 17 residues pruned to eliminate duplicates Z: 69 47.107 2.386 0.708 0.452 0.897 0.529 CB 1.641 69 residues pruned to eliminate duplicates Z: 61 36.829 2.265 0.705 0.419 0.833 0.533 CB 1.607 61 residues pruned to eliminate duplicates Z: 26 26.518 2.349 0.823 0.452 0.800 0.480 CB 1.626 26 residues pruned to eliminate duplicates Z: 50 50.131 2.330 0.896 0.532 0.898 0.551 CB 1.749 50 residues pruned to eliminate duplicates Z: 30 33.541 2.394 0.763 0.431 0.931 0.552 CB 1.702 30 residues pruned to eliminate duplicates Z: 49 50.474 2.395 0.769 0.543 0.917 0.667 CB 1.799 49 residues pruned to eliminate duplicates Z: 70 58.105 2.468 0.811 0.462 0.899 0.580 CB 1.810 70 residues pruned to eliminate duplicates Z: 29 23.136 2.243 0.782 0.361 0.750 0.429 CB 1.693 29 residues pruned to eliminate duplicates Z: 26 30.262 2.380 0.816 0.462 0.880 0.560 CB 1.654 26 residues pruned to eliminate duplicates Z: 34 20.325 2.327 0.637 0.317 0.697 0.394 CB 1.632 34 residues pruned to eliminate duplicates Z: 28 32.567 2.252 0.810 0.479 0.926 0.556 CB 1.697 28 residues pruned to eliminate duplicates Z: 27 35.207 2.380 0.750 0.525 0.923 0.692 CB 1.751 27 residues pruned to eliminate duplicates Z: 17 16.552 2.037 0.866 0.351 0.812 0.438 C 1.575 Z: 7 11.257 1.737 0.719 0.707 1.000 0.500 CB 1.275 7 residues pruned to eliminate duplicates Z: 25 34.565 2.335 0.832 0.519 0.917 0.708 CB 1.765 42 residues pruned to eliminate duplicates Z: 15 16.601 2.191 0.554 0.391 0.857 0.500 CB 1.708 4 residues pruned to eliminate duplicates Z: 17 14.142 1.967 0.684 0.345 0.875 0.500 CB 1.443 17 residues pruned to eliminate duplicates Z: 47 49.141 2.404 0.646 0.581 0.870 0.696 CB 1.948 65 residues pruned to eliminate duplicates Z: 37 46.508 2.369 0.874 0.562 0.861 0.667 CB 1.909 37 residues pruned to eliminate duplicates Z: 15 21.013 2.350 1.028 0.355 0.857 0.500 CB 1.607 15 residues pruned to eliminate duplicates Z: 37 43.193 2.377 0.923 0.545 0.833 0.611 CB 1.808 37 residues pruned to eliminate duplicates Z: 27 35.073 2.344 0.755 0.557 0.846 0.769 CB 1.870 34 residues pruned to eliminate duplicates Z: 20 53.843 2.465 0.965 0.793 0.947 0.737 CB 2.082 20 residues pruned to eliminate duplicates Z: 24 45.205 2.364 0.904 0.652 0.957 0.826 CB 1.901 24 residues pruned to eliminate duplicates Z: 23 51.294 2.407 0.995 0.668 1.000 0.636 CB 1.949 23 residues pruned to eliminate duplicates Z: 22 53.473 2.468 0.973 0.715 1.000 0.810 CB 1.972 22 residues pruned to eliminate duplicates Z: 24 48.975 2.387 0.883 0.639 1.000 0.783 CB 1.994 24 residues pruned to eliminate duplicates Z: 23 52.452 2.356 1.077 0.698 1.000 0.773 CA 1.908 23 residues pruned to eliminate duplicates Z: 24 47.230 2.390 0.935 0.647 0.957 0.870 CB 1.941 24 residues pruned to eliminate duplicates Z: 24 47.323 2.351 0.985 0.698 0.957 0.870 CB 1.845 24 residues pruned to eliminate duplicates Z: 23 49.620 2.439 0.860 0.686 1.000 0.864 CB 1.967 23 residues pruned to eliminate duplicates Z: 23 44.801 2.375 0.899 0.649 0.955 0.909 CA 1.931 23 residues pruned to eliminate duplicates Z: 25 50.753 2.309 0.980 0.690 1.000 0.792 C 1.903 25 residues pruned to eliminate duplicates Z: 23 51.321 2.467 0.774 0.730 1.000 0.773 CB 2.032 23 residues pruned to eliminate duplicates Z: 23 47.551 2.373 0.890 0.715 0.955 0.864 CB 1.949 23 residues pruned to eliminate duplicates Z: 26 44.909 2.323 0.817 0.653 0.960 0.840 CB 1.923 26 residues pruned to eliminate duplicates Z: 51 54.307 2.445 0.761 0.552 0.940 0.700 CB 1.804 51 residues pruned to eliminate duplicates Z: 24 43.141 2.359 0.837 0.643 0.957 0.783 CB 1.898 24 residues pruned to eliminate duplicates Z: 24 48.145 2.420 0.754 0.695 1.000 0.957 CB 1.981 24 residues pruned to eliminate duplicates Z: 23 49.911 2.401 0.837 0.714 1.000 0.818 CA 1.987 23 residues pruned to eliminate duplicates Z: 10 17.747 2.343 1.384 0.425 0.778 0.556 CB 1.472 11 residues pruned to eliminate duplicates Z: 6 2.542 1.718 0.451 0.172 0.800 0.600 CB 0.848 6 residues pruned to eliminate duplicates Z: 8 21.987 2.383 1.365 0.530 0.857 0.571 CB 1.671 8 residues pruned to eliminate duplicates Z: 26 47.751 2.494 1.157 0.601 0.800 0.640 CB 2.015 26 residues pruned to eliminate duplicates Z: 39 42.619 2.506 0.776 0.507 0.842 0.605 CB 1.832 39 residues pruned to eliminate duplicates Z: 12 12.797 2.332 1.144 0.369 0.636 0.455 CB 1.396 12 residues pruned to eliminate duplicates Z: 29 45.971 2.485 1.122 0.596 0.821 0.643 CB 1.831 29 residues pruned to eliminate duplicates Z: 39 41.666 2.440 0.840 0.515 0.816 0.447 CB 1.817 39 residues pruned to eliminate duplicates Z: 22 41.155 2.347 0.884 0.654 0.952 0.619 CB 1.847 22 residues pruned to eliminate duplicates Z: 20 43.800 2.487 0.772 0.695 0.895 0.737 CB 2.131 20 residues pruned to eliminate duplicates Z: 21 43.889 2.451 0.805 0.656 0.950 0.650 CB 2.020 21 residues pruned to eliminate duplicates Z: 19 48.138 2.362 1.102 0.733 0.944 0.667 CB 1.962 19 residues pruned to eliminate duplicates Z: 28 37.364 2.362 0.984 0.552 0.852 0.667 CB 1.711 28 residues pruned to eliminate duplicates Z: 28 43.326 2.502 0.998 0.565 0.852 0.667 CB 1.839 28 residues pruned to eliminate duplicates Z: 19 53.085 2.559 0.983 0.661 1.000 0.778 CB 2.124 19 residues pruned to eliminate duplicates Z: 20 46.208 2.510 0.977 0.623 0.947 0.737 CB 2.008 20 residues pruned to eliminate duplicates Z: 41 46.562 2.452 0.870 0.509 0.875 0.650 CB 1.818 40 residues pruned to eliminate duplicates Z: 15 59.569 2.496 1.173 0.917 1.000 0.857 CA 2.071 15 residues pruned to eliminate duplicates Z: 21 49.044 2.517 1.014 0.616 0.950 0.750 CB 2.041 21 residues pruned to eliminate duplicates Z: 19 43.372 2.437 0.996 0.669 0.889 0.667 CB 2.022 19 residues pruned to eliminate duplicates Z: 58 46.593 2.335 0.698 0.495 0.895 0.596 CB 1.749 58 residues pruned to eliminate duplicates Z: 17 51.640 2.657 0.972 0.720 0.938 0.812 CA 2.154 17 residues pruned to eliminate duplicates Z: 21 39.632 2.507 0.904 0.570 0.900 0.650 CB 1.928 21 residues pruned to eliminate duplicates Z: 18 48.802 2.565 0.959 0.687 0.941 0.706 CA 2.108 18 residues pruned to eliminate duplicates Z: 32 41.328 2.421 0.623 0.564 0.968 0.613 CB 1.834 32 residues pruned to eliminate duplicates Z: 31 41.969 2.477 0.736 0.548 0.933 0.567 CB 1.823 31 residues pruned to eliminate duplicates Z: 37 32.562 2.341 0.586 0.446 0.833 0.500 CB 1.853 37 residues pruned to eliminate duplicates Z: 39 29.637 2.234 0.730 0.402 0.868 0.526 CB 1.588 39 residues pruned to eliminate duplicates Z: 38 36.653 2.419 0.900 0.422 0.838 0.486 CB 1.697 38 residues pruned to eliminate duplicates Z: 16 12.556 2.132 0.652 0.333 0.733 0.467 CB 1.507 16 residues pruned to eliminate duplicates Z: 39 28.657 2.237 0.654 0.456 0.816 0.553 CB 1.611 39 residues pruned to eliminate duplicates Z: 12 16.768 2.440 0.280 0.439 0.909 0.545 CB 1.897 12 residues pruned to eliminate duplicates Z: 14 11.365 2.187 0.489 0.392 0.692 0.462 CB 1.567 14 residues pruned to eliminate duplicates Z: 11 8.997 2.107 0.592 0.281 0.700 0.600 CB 1.552 11 residues pruned to eliminate duplicates Z: 11 6.264 1.796 0.283 0.379 0.800 0.400 CB 1.223 11 residues pruned to eliminate duplicates 6 1.423 1.844 -0.329 0.237 0.600 0.200 C 1.164 ? Z: 7 2.810 1.962 -0.015 0.086 0.667 0.333 C 1.519 7 residues pruned to eliminate duplicates Z: 27 29.071 2.250 0.700 0.429 0.923 0.538 CB 1.737 27 residues pruned to eliminate duplicates Z: 13 7.119 2.066 0.361 0.158 0.750 0.417 CB 1.482 13 residues pruned to eliminate duplicates Z: 11 8.944 2.203 0.283 0.182 0.800 0.400 CB 1.834 11 residues pruned to eliminate duplicates Z: 20 16.290 2.165 0.628 0.400 0.842 0.526 CB 1.400 20 residues pruned to eliminate duplicates Z: 28 21.905 2.214 0.463 0.394 0.889 0.519 CB 1.638 28 residues pruned to eliminate duplicates Z: 26 22.792 2.111 0.732 0.448 0.880 0.520 CB 1.494 26 residues pruned to eliminate duplicates Z: 24 33.685 2.270 1.004 0.449 0.957 0.478 CB 1.701 24 residues pruned to eliminate duplicates Z: 24 33.001 2.264 0.895 0.510 0.957 0.609 CB 1.659 24 residues pruned to eliminate duplicates Z: 28 21.782 2.021 0.739 0.416 0.815 0.519 CB 1.598 28 residues pruned to eliminate duplicates Z: 24 17.228 1.996 0.703 0.379 0.870 0.565 CB 1.382 24 residues pruned to eliminate duplicates Z: 24 28.487 2.180 0.751 0.490 0.957 0.696 CB 1.643 24 residues pruned to eliminate duplicates Z: 28 29.028 2.220 0.818 0.465 0.926 0.630 CB 1.549 28 residues pruned to eliminate duplicates Z: 12 14.754 2.104 0.715 0.392 0.909 0.636 CB 1.520 12 residues pruned to eliminate duplicates Z: 22 32.794 2.229 0.990 0.478 0.905 0.619 CB 1.824 22 residues pruned to eliminate duplicates Z: 30 23.102 2.188 0.621 0.368 0.862 0.621 CB 1.617 30 residues pruned to eliminate duplicates Z: 28 30.211 2.223 0.714 0.438 0.963 0.519 CB 1.690 28 residues pruned to eliminate duplicates Z: 39 32.079 2.259 0.549 0.427 0.947 0.579 CB 1.694 39 residues pruned to eliminate duplicates Z: 25 33.664 2.254 0.764 0.511 0.958 0.667 CB 1.784 25 residues pruned to eliminate duplicates Z: 31 28.123 2.154 0.780 0.440 0.867 0.633 CB 1.644 31 residues pruned to eliminate duplicates Z: 35 50.491 2.326 0.810 0.651 0.941 0.706 CB 1.898 35 residues pruned to eliminate duplicates Z: 35 46.998 2.307 0.685 0.657 0.941 0.765 CB 1.903 35 residues pruned to eliminate duplicates Z: 50 48.430 2.324 0.667 0.586 0.918 0.633 CB 1.791 50 residues pruned to eliminate duplicates Z: 28 52.194 2.442 0.750 0.695 1.000 0.815 CA 1.966 28 residues pruned to eliminate duplicates Z: 28 51.718 2.427 0.900 0.658 0.963 0.815 CB 1.936 28 residues pruned to eliminate duplicates Z: 30 48.485 2.333 0.753 0.671 1.000 0.793 CA 1.880 30 residues pruned to eliminate duplicates Z: 51 46.588 2.258 0.731 0.554 0.920 0.720 CB 1.738 51 residues pruned to eliminate duplicates Z: 29 52.905 2.348 0.965 0.684 0.964 0.821 CB 1.898 29 residues pruned to eliminate duplicates Z: 32 43.509 2.255 0.829 0.620 0.968 0.645 CB 1.748 32 residues pruned to eliminate duplicates Z: 29 49.906 2.408 0.874 0.661 0.929 0.857 CB 1.939 29 residues pruned to eliminate duplicates Z: 29 54.279 2.433 0.879 0.681 0.964 0.714 CB 1.971 29 residues pruned to eliminate duplicates Z: 29 51.053 2.405 0.846 0.653 0.964 0.679 CB 1.955 29 residues pruned to eliminate duplicates Z: 29 53.414 2.392 0.893 0.679 0.964 0.857 CB 1.960 29 residues pruned to eliminate duplicates Z: 29 50.106 2.392 0.820 0.666 0.964 0.821 CA 1.935 29 residues pruned to eliminate duplicates Z: 30 44.908 2.350 0.838 0.617 0.931 0.724 CA 1.857 30 residues pruned to eliminate duplicates Z: 30 51.579 2.349 0.839 0.669 1.000 0.828 CB 1.895 30 residues pruned to eliminate duplicates Z: 52 50.993 2.300 0.776 0.509 0.941 0.686 CB 1.840 52 residues pruned to eliminate duplicates Z: 35 51.066 2.310 0.811 0.629 0.941 0.676 C 1.971 35 residues pruned to eliminate duplicates Z: 52 48.354 2.279 0.877 0.501 0.902 0.667 CB 1.753 52 residues pruned to eliminate duplicates Z: 29 55.517 2.383 0.943 0.690 0.964 0.821 CA 1.975 28 residues pruned to eliminate duplicates Z: 18 62.770 2.517 1.104 0.944 1.000 0.765 CA 1.990 18 residues pruned to eliminate duplicates Z: 30 55.316 2.364 0.944 0.671 1.000 0.793 CB 1.909 30 residues pruned to eliminate duplicates Z: 29 54.962 2.403 0.881 0.676 1.000 0.679 CB 1.954 29 residues pruned to eliminate duplicates Z: 9 12.551 2.237 0.410 0.416 0.875 0.500 CB 1.756 9 residues pruned to eliminate duplicates Z: 29 45.191 2.388 0.750 0.645 0.929 0.786 CB 1.922 29 residues pruned to eliminate duplicates Z: 36 49.080 2.233 0.831 0.618 0.971 0.629 CA 1.869 36 residues pruned to eliminate duplicates Z: 30 45.666 2.329 0.836 0.626 0.931 0.724 CA 1.892 30 residues pruned to eliminate duplicates Z: 30 45.690 2.357 0.867 0.617 0.931 0.759 CB 1.853 30 residues pruned to eliminate duplicates Z: 9 16.973 2.159 0.608 0.534 1.000 0.875 CA 1.672 9 residues pruned to eliminate duplicates Z: 51 75.949 2.578 0.833 0.697 0.960 0.740 CB 1.979 51 residues pruned to eliminate duplicates Z: 52 77.337 2.541 0.871 0.696 0.980 0.824 CB 1.943 52 residues pruned to eliminate duplicates Z: 25 39.990 2.322 0.956 0.579 0.958 0.667 CB 1.739 25 residues pruned to eliminate duplicates Z: 55 70.234 2.477 0.863 0.663 0.944 0.759 CB 1.886 55 residues pruned to eliminate duplicates Z: 54 73.285 2.470 0.910 0.670 0.962 0.698 CB 1.895 54 residues pruned to eliminate duplicates Z: 66 77.428 2.494 0.852 0.674 0.923 0.738 CB 1.919 80 residues pruned to eliminate duplicates Z: 18 35.165 2.268 0.887 0.773 0.882 0.647 CB 1.774 18 residues pruned to eliminate duplicates Z: 55 71.750 2.466 0.816 0.668 0.981 0.741 CB 1.902 55 residues pruned to eliminate duplicates Z: 53 74.108 2.545 0.853 0.684 0.962 0.750 CB 1.914 53 residues pruned to eliminate duplicates Z: 51 73.642 2.554 0.820 0.704 0.940 0.800 CB 1.980 51 residues pruned to eliminate duplicates Z: 51 71.926 2.562 0.734 0.704 0.980 0.840 CB 1.940 51 residues pruned to eliminate duplicates Z: 53 75.575 2.522 0.831 0.699 0.981 0.731 CB 1.930 53 residues pruned to eliminate duplicates Z: 51 76.434 2.516 0.858 0.716 0.980 0.700 CB 1.940 51 residues pruned to eliminate duplicates Z: 51 77.846 2.551 0.883 0.713 0.960 0.740 CB 1.968 51 residues pruned to eliminate duplicates Z: 57 62.653 2.421 0.675 0.675 0.982 0.732 CB 1.789 57 residues pruned to eliminate duplicates Z: 65 67.106 2.410 0.829 0.604 0.953 0.719 CB 1.809 65 residues pruned to eliminate duplicates Z: 53 76.077 2.539 0.841 0.711 0.981 0.769 CB 1.901 53 residues pruned to eliminate duplicates Z: 52 71.238 2.513 0.790 0.690 0.961 0.784 CB 1.940 52 residues pruned to eliminate duplicates Z: 53 69.647 2.489 0.784 0.699 0.962 0.788 CB 1.887 53 residues pruned to eliminate duplicates Z: 53 71.566 2.508 0.834 0.676 0.962 0.788 CB 1.908 53 residues pruned to eliminate duplicates Z: 53 70.424 2.472 0.794 0.685 0.962 0.750 CB 1.932 53 residues pruned to eliminate duplicates Z: 37 50.898 2.434 0.748 0.644 0.944 0.750 CB 1.845 37 residues pruned to eliminate duplicates Z: 55 67.544 2.482 0.775 0.678 0.944 0.796 CB 1.875 55 residues pruned to eliminate duplicates Z: 52 72.296 2.514 0.828 0.679 0.961 0.804 CB 1.944 52 residues pruned to eliminate duplicates Z: 59 69.461 2.551 0.845 0.606 0.897 0.655 CB 1.954 59 residues pruned to eliminate duplicates Z: 76 83.477 2.498 0.949 0.635 0.933 0.720 CB 1.869 76 residues pruned to eliminate duplicates Z: 54 77.280 2.509 0.951 0.669 0.962 0.736 CB 1.928 54 residues pruned to eliminate duplicates Z: 53 74.315 2.540 0.869 0.689 0.962 0.769 CB 1.899 53 residues pruned to eliminate duplicates Z: 56 70.152 2.460 0.937 0.667 0.909 0.691 CB 1.871 56 residues pruned to eliminate duplicates Z: 65 77.117 2.471 0.875 0.674 0.953 0.734 CB 1.860 65 residues pruned to eliminate duplicates Z: 54 75.958 2.529 1.000 0.678 0.925 0.679 CB 1.894 54 residues pruned to eliminate duplicates Z: 35 52.280 2.462 0.966 0.647 0.941 0.647 CB 1.716 35 residues pruned to eliminate duplicates Z: 51 80.291 2.542 0.961 0.696 0.960 0.740 CB 1.985 51 residues pruned to eliminate duplicates Z: 54 73.777 2.488 0.921 0.674 0.962 0.755 CB 1.877 54 residues pruned to eliminate duplicates Z: 53 76.489 2.530 0.875 0.687 0.981 0.692 CB 1.921 53 residues pruned to eliminate duplicates Z: 53 75.468 2.538 0.881 0.685 0.962 0.731 CB 1.923 53 residues pruned to eliminate duplicates Z: 55 72.032 2.468 0.896 0.671 0.944 0.648 CB 1.894 55 residues pruned to eliminate duplicates Z: 57 74.008 2.434 0.943 0.655 0.964 0.714 CB 1.879 57 residues pruned to eliminate duplicates Z: 53 76.288 2.528 1.063 0.628 0.923 0.788 CB 1.948 53 residues pruned to eliminate duplicates Z: 52 81.318 2.528 1.028 0.670 0.980 0.745 CB 1.937 52 residues pruned to eliminate duplicates Z: 69 78.499 2.422 0.972 0.651 0.926 0.691 CB 1.869 69 residues pruned to eliminate duplicates Z: 53 73.209 2.517 0.894 0.706 0.942 0.731 CB 1.873 53 residues pruned to eliminate duplicates Z: 51 80.052 2.553 0.950 0.686 0.960 0.780 CB 1.997 51 residues pruned to eliminate duplicates Z: 54 81.286 2.471 1.097 0.679 0.962 0.755 CB 1.900 54 residues pruned to eliminate duplicates Z: 52 79.588 2.551 0.978 0.682 0.980 0.745 CB 1.907 52 residues pruned to eliminate duplicates Z: 18 35.590 2.355 0.709 0.664 1.000 0.824 C 1.842 18 residues pruned to eliminate duplicates Z: 53 78.762 2.507 0.986 0.678 0.962 0.750 CB 1.936 53 residues pruned to eliminate duplicates Z: 54 79.553 2.505 1.039 0.682 0.943 0.774 CB 1.918 54 residues pruned to eliminate duplicates Z: 36 55.615 2.477 1.041 0.669 0.886 0.686 CB 1.797 36 residues pruned to eliminate duplicates Z: 38 56.503 2.356 1.018 0.645 0.946 0.622 CB 1.804 38 residues pruned to eliminate duplicates Z: 58 52.062 2.237 0.705 0.644 0.912 0.649 CB 1.733 58 residues pruned to eliminate duplicates Z: 52 67.551 2.351 0.822 0.713 0.980 0.745 CB 1.857 52 residues pruned to eliminate duplicates Z: 22 31.526 2.206 0.653 0.688 0.905 0.762 CA 1.755 22 residues pruned to eliminate duplicates Z: 56 59.410 2.269 0.792 0.632 0.945 0.673 CB 1.841 56 residues pruned to eliminate duplicates Z: 51 70.231 2.389 0.840 0.708 0.980 0.740 CB 1.909 51 residues pruned to eliminate duplicates Z: 51 71.001 2.394 0.887 0.717 0.960 0.720 CB 1.903 51 residues pruned to eliminate duplicates Z: 51 66.617 2.398 0.764 0.707 0.980 0.740 CB 1.882 51 residues pruned to eliminate duplicates Z: 15 35.115 2.168 0.921 0.836 1.000 0.857 CB 1.686 15 residues pruned to eliminate duplicates Z: 51 64.892 2.361 0.783 0.702 0.960 0.700 CB 1.888 51 residues pruned to eliminate duplicates Z: 51 67.885 2.395 0.781 0.717 0.980 0.760 CB 1.887 51 residues pruned to eliminate duplicates Z: 53 72.034 2.403 0.948 0.695 0.942 0.750 CB 1.896 53 residues pruned to eliminate duplicates Z: 18 42.331 2.192 0.994 0.857 1.000 0.588 CA 1.731 18 residues pruned to eliminate duplicates Z: 18 35.304 2.217 0.710 0.831 1.000 0.706 CA 1.696 18 residues pruned to eliminate duplicates Z: 50 71.870 2.416 0.846 0.731 0.980 0.816 CB 1.908 50 residues pruned to eliminate duplicates Z: 51 62.653 2.377 0.707 0.697 0.960 0.780 CB 1.901 51 residues pruned to eliminate duplicates Z: 58 56.257 2.340 0.699 0.651 0.912 0.684 CB 1.785 58 residues pruned to eliminate duplicates Z: 51 62.546 2.367 0.756 0.716 0.940 0.740 CB 1.863 51 residues pruned to eliminate duplicates Z: 53 60.512 2.332 0.764 0.688 0.942 0.712 CB 1.823 53 residues pruned to eliminate duplicates Z: 53 55.756 2.331 0.751 0.662 0.923 0.692 CB 1.766 53 residues pruned to eliminate duplicates Z: 64 56.542 2.296 0.698 0.625 0.921 0.635 CB 1.765 64 residues pruned to eliminate duplicates Z: 51 67.118 2.402 0.786 0.714 0.960 0.760 CB 1.898 51 residues pruned to eliminate duplicates Z: 38 53.508 2.438 0.768 0.664 0.946 0.784 CB 1.854 38 residues pruned to eliminate duplicates Z: 54 61.501 2.318 0.833 0.679 0.943 0.755 CB 1.787 54 residues pruned to eliminate duplicates Z: 51 66.546 2.385 0.844 0.721 0.940 0.760 CB 1.865 51 residues pruned to eliminate duplicates Z: 33 53.173 2.360 0.833 0.711 0.969 0.750 CB 1.852 33 residues pruned to eliminate duplicates Z: 55 58.460 2.335 0.775 0.666 0.944 0.685 CB 1.742 55 residues pruned to eliminate duplicates Z: 52 61.859 2.372 0.770 0.706 0.961 0.784 CB 1.780 52 residues pruned to eliminate duplicates Z: 44 53.059 2.302 0.808 0.683 0.930 0.767 CB 1.766 44 residues pruned to eliminate duplicates Z: 53 56.965 2.340 0.695 0.689 0.942 0.673 CB 1.777 53 residues pruned to eliminate duplicates Z: 31 54.675 2.412 0.753 0.738 1.000 0.733 CB 1.908 31 residues pruned to eliminate duplicates Z: 31 53.731 2.419 0.711 0.745 1.000 0.800 CA 1.903 31 residues pruned to eliminate duplicates Z: 49 70.280 2.458 0.734 0.696 0.979 0.729 C 2.033 49 residues pruned to eliminate duplicates Z: 51 64.650 2.384 0.794 0.721 0.940 0.760 CB 1.863 51 residues pruned to eliminate duplicates Z: 28 54.375 2.485 0.761 0.736 0.963 0.889 CB 2.009 28 residues pruned to eliminate duplicates Z: 34 55.574 2.449 0.920 0.679 0.939 0.727 CB 1.858 34 residues pruned to eliminate duplicates Z: 50 67.252 2.414 0.825 0.717 0.939 0.694 CB 1.909 50 residues pruned to eliminate duplicates Z: 51 70.989 2.389 0.886 0.723 0.960 0.740 CB 1.898 51 residues pruned to eliminate duplicates Z: 51 69.159 2.366 0.943 0.705 0.940 0.700 CB 1.878 51 residues pruned to eliminate duplicates Z: 51 66.603 2.387 0.839 0.708 0.940 0.720 CB 1.890 51 residues pruned to eliminate duplicates Z: 51 67.313 2.367 0.867 0.704 0.960 0.780 CB 1.864 51 residues pruned to eliminate duplicates Z: 52 65.067 2.348 0.823 0.702 0.961 0.745 CB 1.844 52 residues pruned to eliminate duplicates Z: 54 64.229 2.324 0.876 0.680 0.943 0.698 CB 1.818 54 residues pruned to eliminate duplicates Z: 12 22.360 2.186 0.575 0.857 1.000 0.727 CA 1.442 12 residues pruned to eliminate duplicates Z: 51 67.447 2.390 0.821 0.711 0.960 0.740 CB 1.885 51 residues pruned to eliminate duplicates Z: 51 70.921 2.392 0.918 0.716 0.960 0.760 CB 1.873 51 residues pruned to eliminate duplicates Z: 17 35.967 2.377 0.872 0.656 0.938 0.625 CA 1.865 17 residues pruned to eliminate duplicates Z: 20 30.703 2.395 0.756 0.644 0.842 0.632 CB 1.738 20 residues pruned to eliminate duplicates Z: 52 64.129 2.357 0.853 0.700 0.941 0.667 CB 1.820 52 residues pruned to eliminate duplicates Z: 23 33.642 2.209 1.022 0.605 0.864 0.500 CB 1.682 23 residues pruned to eliminate duplicates Z: 53 68.972 2.401 0.890 0.705 0.942 0.731 CB 1.857 53 residues pruned to eliminate duplicates Z: 15 25.766 2.166 0.790 0.684 0.857 0.500 CB 1.750 15 residues pruned to eliminate duplicates 250 residues left after pruning, divided into chains as follows: A: 250 CC for partial structure against native data = 30.66 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.404, Connect. = 0.772 for dens.mod. cycle 1 = 0.300, Contrast = 0.463, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.552, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 0.562, Connect. = 0.831 for dens.mod. cycle 4 = 0.300, Contrast = 0.574, Connect. = 0.835 for dens.mod. cycle 5 = 0.300, Contrast = 0.582, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.589, Connect. = 0.841 for dens.mod. cycle 7 = 0.300, Contrast = 0.594, Connect. = 0.842 for dens.mod. cycle 8 = 0.300, Contrast = 0.598, Connect. = 0.843 for dens.mod. cycle 9 = 0.300, Contrast = 0.601, Connect. = 0.844 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2117 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 426 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 45.534 2.458 0.939 0.909 0.923 0.923 C 2.037 B: 14 48.486 2.413 1.007 0.861 1.000 0.846 C 2.040 14 residues pruned to eliminate duplicates C: 13 46.588 2.539 1.012 0.921 0.917 0.833 CA 2.022 13 residues pruned to eliminate duplicates D: 13 44.877 2.538 0.934 0.910 0.917 0.917 CA 2.042 13 residues pruned to eliminate duplicates E: 14 45.668 2.639 0.699 0.928 0.923 0.846 C 2.144 14 residues pruned to eliminate duplicates F: 13 41.304 2.571 0.879 0.792 0.917 0.750 CA 2.084 13 residues pruned to eliminate duplicates G: 15 50.681 2.436 0.976 0.870 1.000 0.929 CB 2.055 14 residues pruned to eliminate duplicates H: 16 46.519 2.313 1.015 0.869 1.000 0.667 C 1.884 17 residues pruned to eliminate duplicates I: 14 48.859 2.563 1.007 0.820 0.923 0.923 CB 2.162 14 residues pruned to eliminate duplicates J: 13 51.179 2.559 0.952 0.873 1.000 0.833 C 2.154 13 residues pruned to eliminate duplicates K: 15 36.486 2.347 0.932 0.867 0.857 0.857 CB 1.835 15 residues pruned to eliminate duplicates L: 19 41.194 2.392 0.556 0.907 1.000 0.778 CB 1.854 M: 14 46.306 2.438 0.939 0.893 1.000 0.923 C 1.951 14 residues pruned to eliminate duplicates N: 14 30.900 2.285 0.804 0.905 0.923 0.692 CB 1.603 O: 12 42.551 2.478 0.839 0.896 1.000 0.909 CA 2.017 P: 13 32.910 2.333 0.818 0.852 0.917 0.917 CB 1.807 14 residues pruned to eliminate duplicates Q: 14 49.820 2.480 1.262 0.927 1.000 0.846 CB 1.727 R: 15 44.651 2.362 1.203 0.937 1.000 0.643 CB 1.596 15 residues pruned to eliminate duplicates S: 15 46.210 2.398 0.963 0.871 1.000 0.786 CA 1.913 13 residues pruned to eliminate duplicates T: 78 68.155 2.385 0.842 0.597 0.883 0.714 CB 1.826 27 residues pruned to eliminate duplicates U: 46 48.554 2.516 0.833 0.441 0.867 0.622 CB 1.925 27 residues pruned to eliminate duplicates V: 13 36.339 2.325 0.989 0.879 0.917 0.583 CB 1.794 13 residues pruned to eliminate duplicates W: 14 42.040 2.352 1.083 0.853 0.923 0.923 CB 1.905 14 residues pruned to eliminate duplicates X: 14 42.017 2.488 1.278 0.934 0.923 0.769 CB 1.553 14 residues pruned to eliminate duplicates Y: 14 49.476 2.491 1.452 0.940 1.000 0.923 CB 1.560 14 residues pruned to eliminate duplicates Z: 14 55.615 2.516 1.150 0.916 1.000 0.923 CA 2.013 15 residues pruned to eliminate duplicates Z: 14 41.365 2.456 1.154 0.932 1.000 0.923 CB 1.515 14 residues pruned to eliminate duplicates Z: 13 29.779 2.192 0.678 0.830 1.000 0.750 C 1.757 Z: 14 49.143 2.472 1.434 0.938 1.000 0.923 CB 1.576 14 residues pruned to eliminate duplicates Z: 12 25.001 2.205 0.388 0.927 1.000 0.909 CA 1.726 12 residues pruned to eliminate duplicates Z: 18 51.939 2.525 0.743 0.939 1.000 0.882 CA 1.990 19 residues pruned to eliminate duplicates Z: 19 53.801 2.454 0.935 0.928 1.000 0.833 CA 1.871 18 residues pruned to eliminate duplicates Z: 13 62.212 2.607 1.384 0.913 1.000 0.917 CA 2.045 13 residues pruned to eliminate duplicates Z: 14 36.330 2.271 0.865 0.924 1.000 0.615 CB 1.670 14 residues pruned to eliminate duplicates Z: 16 43.181 2.361 0.927 0.901 1.000 0.867 CB 1.749 16 residues pruned to eliminate duplicates Z: 14 41.170 2.464 1.152 0.926 1.000 0.769 CB 1.511 14 residues pruned to eliminate duplicates Z: 15 52.168 2.451 0.947 0.915 1.000 0.929 CA 2.065 15 residues pruned to eliminate duplicates Z: 19 44.217 2.449 0.597 0.930 1.000 0.833 CA 1.863 19 residues pruned to eliminate duplicates Z: 16 32.088 2.242 0.652 0.938 1.000 0.800 CB 1.556 Z: 13 50.398 2.530 1.346 0.928 0.917 0.833 CA 1.872 13 residues pruned to eliminate duplicates Z: 15 40.920 2.325 1.101 0.924 1.000 0.643 CB 1.572 15 residues pruned to eliminate duplicates Z: 20 41.737 2.336 0.676 0.913 1.000 0.842 CA 1.730 19 residues pruned to eliminate duplicates Z: 14 40.815 2.458 0.972 0.927 1.000 0.769 CB 1.636 14 residues pruned to eliminate duplicates Z: 17 58.147 2.520 1.069 0.938 1.000 0.812 CB 1.939 20 residues pruned to eliminate duplicates Z: 15 44.041 2.350 1.097 0.917 0.929 0.929 CB 1.816 15 residues pruned to eliminate duplicates Z: 18 47.916 2.514 0.678 0.906 1.000 0.941 CA 1.958 19 residues pruned to eliminate duplicates Z: 13 36.061 2.444 0.723 0.916 1.000 0.917 CB 1.746 13 residues pruned to eliminate duplicates Z: 13 35.920 2.573 0.705 0.906 1.000 0.750 CB 1.680 13 residues pruned to eliminate duplicates Z: 11 13.213 1.904 0.357 0.750 1.000 0.600 CB 1.294 10 residues pruned to eliminate duplicates Z: 15 57.864 2.399 1.308 0.914 1.000 0.857 CA 1.976 15 residues pruned to eliminate duplicates Z: 12 30.752 2.281 0.673 0.880 1.000 0.909 CA 1.760 12 residues pruned to eliminate duplicates Z: 12 57.495 2.746 0.939 0.926 1.000 1.000 CA 2.283 12 residues pruned to eliminate duplicates Z: 22 15.621 1.891 0.824 0.307 0.857 0.524 CA 1.430 22 residues pruned to eliminate duplicates Z: 51 65.909 2.398 0.739 0.703 0.980 0.760 CB 1.896 52 residues pruned to eliminate duplicates Z: 15 40.264 2.348 1.253 0.859 0.929 0.857 CB 1.612 15 residues pruned to eliminate duplicates Z: 16 31.961 2.257 0.568 0.877 1.000 0.800 CB 1.693 17 residues pruned to eliminate duplicates Z: 19 47.622 2.289 0.941 0.906 1.000 0.722 CB 1.797 19 residues pruned to eliminate duplicates Z: 13 44.345 2.551 1.082 0.945 1.000 0.750 CB 1.668 13 residues pruned to eliminate duplicates Z: 15 40.058 2.244 1.048 0.920 1.000 0.929 CB 1.640 14 residues pruned to eliminate duplicates Z: 11 30.259 2.332 0.579 0.881 1.000 0.800 CA 1.882 11 residues pruned to eliminate duplicates Z: 19 49.554 2.448 0.824 0.905 1.000 0.833 CA 1.862 19 residues pruned to eliminate duplicates Z: 14 31.368 2.254 0.675 0.895 0.923 0.923 CB 1.789 14 residues pruned to eliminate duplicates Z: 19 51.916 2.393 1.068 0.902 0.944 0.722 CA 1.868 19 residues pruned to eliminate duplicates Z: 14 33.691 2.297 0.895 0.928 0.923 0.615 CB 1.629 14 residues pruned to eliminate duplicates Z: 18 44.271 2.394 0.780 0.942 0.941 0.941 CB 1.856 18 residues pruned to eliminate duplicates Z: 14 31.672 2.421 0.604 0.914 1.000 0.923 CB 1.599 14 residues pruned to eliminate duplicates Z: 7 12.252 1.960 1.450 0.493 0.667 0.500 C 1.574 Z: 17 45.569 2.508 0.678 0.938 1.000 0.938 CB 1.883 17 residues pruned to eliminate duplicates Z: 19 38.673 2.428 0.498 0.915 1.000 0.889 CB 1.772 18 residues pruned to eliminate duplicates Z: 14 47.755 2.419 1.018 0.917 0.923 0.846 CB 2.074 14 residues pruned to eliminate duplicates Z: 15 35.298 2.346 0.743 0.914 0.929 0.857 CA 1.758 15 residues pruned to eliminate duplicates Z: 18 52.234 2.523 0.765 0.932 1.000 0.824 CA 1.987 17 residues pruned to eliminate duplicates Z: 18 41.032 2.360 0.631 0.946 1.000 0.882 CB 1.788 17 residues pruned to eliminate duplicates Z: 12 34.712 2.343 0.741 0.907 1.000 0.818 C 1.823 13 residues pruned to eliminate duplicates Z: 14 49.110 2.442 1.475 0.940 1.000 0.769 CB 1.565 14 residues pruned to eliminate duplicates Z: 16 47.050 2.507 0.693 0.945 1.000 0.933 CA 1.980 17 residues pruned to eliminate duplicates Z: 19 41.143 2.382 0.487 0.933 1.000 0.944 CB 1.910 18 residues pruned to eliminate duplicates Z: 11 24.185 2.358 0.376 0.903 0.900 0.900 C 1.866 11 residues pruned to eliminate duplicates Z: 17 49.175 2.467 0.795 0.945 1.000 0.812 CB 1.920 17 residues pruned to eliminate duplicates Z: 18 59.109 2.528 0.999 0.931 1.000 0.882 CB 1.982 18 residues pruned to eliminate duplicates Z: 14 57.416 2.436 1.454 0.912 1.000 0.846 C 1.887 14 residues pruned to eliminate duplicates Z: 10 23.220 2.302 0.511 0.894 1.000 0.667 CA 1.595 10 residues pruned to eliminate duplicates Z: 12 23.554 2.157 0.473 0.846 1.000 1.000 CA 1.660 12 residues pruned to eliminate duplicates Z: 14 59.376 2.536 1.308 0.891 1.000 0.769 C 2.022 14 residues pruned to eliminate duplicates Z: 16 45.283 2.309 0.906 0.924 1.000 1.000 CA 1.867 15 residues pruned to eliminate duplicates Z: 13 62.619 2.565 1.352 0.925 1.000 0.917 CB 2.103 13 residues pruned to eliminate duplicates Z: 14 53.871 2.485 1.167 0.890 1.000 0.846 C 1.996 14 residues pruned to eliminate duplicates Z: 14 36.284 2.481 0.558 0.912 1.000 0.846 CB 1.843 14 residues pruned to eliminate duplicates Z: 18 53.709 2.527 0.778 0.948 1.000 0.824 CA 2.002 18 residues pruned to eliminate duplicates Z: 12 25.256 2.130 0.635 0.877 1.000 0.636 CA 1.588 12 residues pruned to eliminate duplicates Z: 13 42.771 2.451 0.824 0.934 1.000 1.000 CA 1.926 13 residues pruned to eliminate duplicates Z: 16 30.112 2.252 0.564 0.866 0.933 0.867 C 1.731 16 residues pruned to eliminate duplicates Z: 19 43.884 2.333 0.875 0.881 0.944 0.778 CA 1.813 19 residues pruned to eliminate duplicates Z: 13 45.543 2.590 0.896 0.912 0.917 0.667 CA 2.069 13 residues pruned to eliminate duplicates Z: 31 43.915 2.310 0.823 0.618 0.900 0.733 CA 1.893 19 residues pruned to eliminate duplicates Z: 38 37.114 2.381 0.720 0.487 0.865 0.568 CB 1.744 26 residues pruned to eliminate duplicates Z: 14 12.222 2.052 0.983 0.371 0.846 0.615 CB 1.130 7 residues pruned to eliminate duplicates Z: 14 35.640 2.291 0.740 0.940 1.000 1.000 CB 1.722 14 residues pruned to eliminate duplicates Z: 19 51.613 2.437 0.953 0.895 1.000 0.889 CA 1.833 19 residues pruned to eliminate duplicates Z: 56 74.657 2.483 0.948 0.675 0.945 0.709 CB 1.874 44 residues pruned to eliminate duplicates Z: 14 36.868 2.391 0.752 0.928 1.000 0.846 CB 1.710 14 residues pruned to eliminate duplicates Z: 51 66.842 2.407 0.812 0.719 0.940 0.800 CB 1.891 51 residues pruned to eliminate duplicates Z: 12 21.364 2.226 0.388 0.906 1.000 0.909 CA 1.483 12 residues pruned to eliminate duplicates Z: 13 46.789 2.453 1.090 0.930 1.000 0.750 CB 1.843 13 residues pruned to eliminate duplicates Z: 18 31.612 2.251 0.665 0.805 0.941 0.765 CB 1.665 18 residues pruned to eliminate duplicates Z: 20 43.163 2.247 0.799 0.895 1.000 0.895 CB 1.756 20 residues pruned to eliminate duplicates Z: 59 54.914 2.436 0.867 0.478 0.862 0.603 CB 1.880 39 residues pruned to eliminate duplicates Z: 53 68.950 2.435 0.825 0.710 0.942 0.731 CB 1.887 53 residues pruned to eliminate duplicates Z: 13 28.475 2.159 0.725 0.863 1.000 0.750 CA 1.620 13 residues pruned to eliminate duplicates Z: 12 18.538 2.070 0.378 0.885 0.909 0.909 CB 1.557 12 residues pruned to eliminate duplicates Z: 8 22.895 1.969 1.294 0.810 1.000 1.000 CB 1.463 11 residues pruned to eliminate duplicates Z: 33 45.638 2.304 0.858 0.598 0.906 0.781 CB 1.894 31 residues pruned to eliminate duplicates Z: 18 39.164 2.230 0.814 0.848 1.000 0.765 CA 1.741 18 residues pruned to eliminate duplicates Z: 17 36.715 2.243 0.779 0.939 1.000 0.938 CB 1.599 Z: 14 27.709 2.296 0.569 0.931 0.923 0.769 CB 1.614 14 residues pruned to eliminate duplicates Z: 13 31.479 2.404 0.558 0.907 1.000 0.833 CB 1.725 13 residues pruned to eliminate duplicates Z: 17 58.666 2.515 1.058 0.950 1.000 0.750 CA 1.954 24 residues pruned to eliminate duplicates Z: 18 30.723 2.132 0.607 0.927 1.000 0.941 CB 1.524 17 residues pruned to eliminate duplicates Z: 15 32.675 2.242 0.726 0.930 1.000 0.786 CB 1.578 15 residues pruned to eliminate duplicates Z: 10 10.842 2.206 1.106 0.360 0.667 0.444 CB 1.356 10 residues pruned to eliminate duplicates Z: 16 29.569 2.275 0.394 0.932 1.000 1.000 CB 1.681 16 residues pruned to eliminate duplicates Z: 18 33.703 2.172 0.669 0.933 1.000 0.941 CB 1.573 19 residues pruned to eliminate duplicates Z: 14 33.864 2.436 0.653 0.920 1.000 0.846 CB 1.643 14 residues pruned to eliminate duplicates Z: 16 38.234 2.100 0.879 0.949 1.000 0.867 CB 1.726 16 residues pruned to eliminate duplicates Z: 14 58.386 2.421 1.408 0.917 1.000 0.692 CA 1.960 14 residues pruned to eliminate duplicates Z: 14 19.195 2.242 0.821 0.414 0.846 0.615 CB 1.687 14 residues pruned to eliminate duplicates Z: 9 22.012 2.040 0.979 0.605 1.000 0.750 CA 1.745 9 residues pruned to eliminate duplicates Z: 12 22.909 2.180 0.924 0.616 0.909 0.636 CB 1.623 Z: 14 32.101 2.097 0.814 0.937 1.000 0.615 CB 1.628 14 residues pruned to eliminate duplicates Z: 18 34.284 2.174 0.648 0.946 1.000 0.941 CB 1.605 17 residues pruned to eliminate duplicates Z: 9 10.464 1.759 0.906 0.379 1.000 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 18 31.767 2.230 0.626 0.829 0.941 0.765 CA 1.699 18 residues pruned to eliminate duplicates Z: 68 79.774 2.508 0.819 0.694 0.925 0.791 CB 1.934 67 residues pruned to eliminate duplicates Z: 16 35.826 2.532 0.410 0.748 1.000 0.867 C 2.076 16 residues pruned to eliminate duplicates Z: 12 24.418 2.145 0.848 0.859 1.000 0.727 CA 1.366 12 residues pruned to eliminate duplicates Z: 19 31.414 2.064 0.687 0.831 1.000 0.611 CB 1.598 18 residues pruned to eliminate duplicates Z: 15 14.710 2.207 0.472 0.492 0.786 0.571 CB 1.553 15 residues pruned to eliminate duplicates Z: 18 36.519 2.199 0.762 0.936 1.000 0.941 CB 1.592 18 residues pruned to eliminate duplicates Z: 14 55.208 2.370 1.388 0.921 1.000 0.923 CA 1.904 14 residues pruned to eliminate duplicates Z: 21 34.749 2.458 0.565 0.723 0.900 0.800 CB 1.836 21 residues pruned to eliminate duplicates Z: 16 35.830 2.330 0.616 0.925 1.000 0.867 CB 1.724 16 residues pruned to eliminate duplicates Z: 16 31.000 2.246 0.678 0.876 0.933 0.733 CB 1.653 16 residues pruned to eliminate duplicates Z: 18 40.449 2.201 0.864 0.944 1.000 0.824 CB 1.656 18 residues pruned to eliminate duplicates Z: 55 76.575 2.508 0.876 0.679 0.981 0.722 CB 1.913 55 residues pruned to eliminate duplicates Z: 11 11.138 2.213 0.515 0.338 0.800 0.600 CB 1.568 11 residues pruned to eliminate duplicates Z: 19 32.710 2.099 0.777 0.830 0.944 0.611 CB 1.646 19 residues pruned to eliminate duplicates Z: 16 36.001 2.311 0.543 0.947 1.000 0.933 CB 1.802 16 residues pruned to eliminate duplicates Z: 6 6.116 1.738 0.281 0.494 1.000 0.600 CA 1.237 Z: 9 15.133 2.089 0.474 0.535 1.000 0.750 CB 1.680 9 residues pruned to eliminate duplicates Z: 52 64.395 2.383 0.770 0.715 0.961 0.765 CB 1.832 52 residues pruned to eliminate duplicates Z: 19 8.328 1.864 0.238 0.340 0.778 0.389 CB 1.302 19 residues pruned to eliminate duplicates Z: 13 21.506 1.975 0.915 0.619 0.917 0.833 CB 1.600 13 residues pruned to eliminate duplicates Z: 18 41.393 2.181 0.997 0.936 1.000 0.765 CB 1.605 18 residues pruned to eliminate duplicates Z: 17 27.512 2.138 0.480 0.827 1.000 0.750 CB 1.638 17 residues pruned to eliminate duplicates Z: 18 38.403 2.188 0.840 0.930 1.000 0.882 CB 1.618 18 residues pruned to eliminate duplicates Z: 18 32.885 2.226 0.630 0.841 0.941 0.824 CB 1.741 18 residues pruned to eliminate duplicates Z: 25 31.765 2.253 0.979 0.438 0.917 0.583 CB 1.691 18 residues pruned to eliminate duplicates Z: 41 43.690 2.468 0.895 0.449 0.850 0.600 CB 1.831 41 residues pruned to eliminate duplicates Z: 17 38.868 2.288 0.810 0.933 1.000 0.812 CB 1.637 17 residues pruned to eliminate duplicates Z: 18 37.826 2.132 0.889 0.916 1.000 0.765 CB 1.609 18 residues pruned to eliminate duplicates Z: 31 38.600 2.476 0.620 0.551 0.867 0.633 CB 1.930 31 residues pruned to eliminate duplicates Z: 18 39.701 2.467 0.621 0.787 0.941 0.824 CA 1.989 18 residues pruned to eliminate duplicates Z: 17 33.717 2.168 0.667 0.947 1.000 1.000 CB 1.611 17 residues pruned to eliminate duplicates Z: 6 6.614 1.870 0.414 0.531 0.800 0.400 CA 1.357 6 residues pruned to eliminate duplicates Z: 12 20.737 2.050 0.966 0.535 0.909 0.636 CA 1.649 12 residues pruned to eliminate duplicates Z: 18 36.812 2.174 0.925 0.916 1.000 0.882 CB 1.507 18 residues pruned to eliminate duplicates Z: 50 79.547 2.571 0.960 0.709 0.980 0.796 CB 1.905 50 residues pruned to eliminate duplicates Z: 59 59.901 2.507 0.780 0.530 0.897 0.672 CB 1.909 59 residues pruned to eliminate duplicates Z: 18 40.848 2.178 0.955 0.939 1.000 0.765 CB 1.618 18 residues pruned to eliminate duplicates Z: 19 16.772 2.210 0.584 0.344 0.778 0.444 CB 1.721 19 residues pruned to eliminate duplicates Z: 18 34.774 2.187 0.697 0.847 1.000 0.824 CA 1.687 18 residues pruned to eliminate duplicates Z: 62 55.833 2.434 0.793 0.504 0.918 0.672 CB 1.777 58 residues pruned to eliminate duplicates Z: 40 29.340 2.295 0.788 0.392 0.846 0.564 CB 1.517 40 residues pruned to eliminate duplicates Z: 12 11.271 2.002 0.729 0.333 0.727 0.455 C 1.621 12 residues pruned to eliminate duplicates Z: 19 30.897 2.074 0.750 0.840 0.944 0.722 CA 1.584 19 residues pruned to eliminate duplicates Z: 15 40.983 2.407 0.768 0.917 0.929 0.857 CB 1.957 15 residues pruned to eliminate duplicates Z: 36 32.036 2.255 0.859 0.411 0.829 0.600 CB 1.711 36 residues pruned to eliminate duplicates Z: 31 20.523 2.085 0.758 0.354 0.833 0.600 CB 1.436 31 residues pruned to eliminate duplicates Z: 19 24.710 2.101 0.532 0.818 0.833 0.667 CA 1.648 19 residues pruned to eliminate duplicates Z: 14 21.758 2.126 0.824 0.549 0.846 0.615 CB 1.753 14 residues pruned to eliminate duplicates Z: 12 33.848 2.303 0.834 0.863 1.000 0.636 CA 1.773 12 residues pruned to eliminate duplicates Z: 53 64.327 2.337 0.784 0.703 0.962 0.731 CB 1.849 53 residues pruned to eliminate duplicates Z: 17 38.774 2.287 0.768 0.957 1.000 0.875 CB 1.645 17 residues pruned to eliminate duplicates Z: 17 32.876 2.239 0.570 0.949 1.000 0.938 CB 1.613 17 residues pruned to eliminate duplicates Z: 18 38.235 2.194 0.851 0.926 1.000 0.941 CB 1.602 18 residues pruned to eliminate duplicates Z: 18 30.702 2.125 0.577 0.927 1.000 0.882 CB 1.557 18 residues pruned to eliminate duplicates Z: 18 34.550 2.107 0.820 0.950 1.000 0.882 CB 1.506 18 residues pruned to eliminate duplicates Z: 19 26.189 2.038 0.660 0.808 0.889 0.778 CB 1.570 19 residues pruned to eliminate duplicates Z: 17 36.907 2.417 0.595 0.907 0.938 0.688 CB 1.814 17 residues pruned to eliminate duplicates Z: 18 35.888 2.176 0.756 0.931 1.000 0.824 CB 1.591 18 residues pruned to eliminate duplicates Z: 18 28.775 2.205 0.417 0.811 1.000 0.706 CB 1.704 18 residues pruned to eliminate duplicates Z: 20 21.707 2.196 0.742 0.416 0.947 0.526 CB 1.499 20 residues pruned to eliminate duplicates Z: 39 31.198 2.358 0.706 0.439 0.737 0.474 CB 1.819 39 residues pruned to eliminate duplicates Z: 13 20.002 2.179 0.922 0.524 0.917 0.583 CB 1.469 13 residues pruned to eliminate duplicates Z: 12 26.578 2.217 0.626 0.854 1.000 0.727 CA 1.642 12 residues pruned to eliminate duplicates Z: 37 33.717 2.281 0.726 0.410 0.889 0.611 CB 1.766 36 residues pruned to eliminate duplicates Z: 18 37.948 2.196 0.770 0.939 1.000 0.941 CB 1.645 18 residues pruned to eliminate duplicates Z: 6 6.653 1.761 0.328 0.804 1.000 0.400 CA 0.976 6 residues pruned to eliminate duplicates Z: 18 28.931 2.141 0.484 0.934 1.000 1.000 CB 1.540 18 residues pruned to eliminate duplicates Z: 23 31.789 2.194 0.984 0.510 0.955 0.591 CB 1.614 24 residues pruned to eliminate duplicates Z: 13 27.529 2.219 0.636 0.908 1.000 0.917 CB 1.554 13 residues pruned to eliminate duplicates Z: 14 35.454 2.285 0.710 0.930 1.000 0.846 CB 1.759 14 residues pruned to eliminate duplicates Z: 16 47.409 2.449 0.764 0.900 1.000 0.800 CB 2.025 16 residues pruned to eliminate duplicates Z: 56 58.255 2.264 0.812 0.688 0.945 0.673 CB 1.705 56 residues pruned to eliminate duplicates Z: 13 32.533 2.173 0.807 0.928 1.000 0.583 CB 1.675 13 residues pruned to eliminate duplicates Z: 12 22.383 1.969 1.346 0.586 0.909 0.636 C 1.480 12 residues pruned to eliminate duplicates Z: 14 36.676 2.289 0.784 0.904 1.000 0.923 CB 1.774 14 residues pruned to eliminate duplicates Z: 16 29.038 2.059 0.694 0.856 1.000 0.733 CB 1.585 16 residues pruned to eliminate duplicates Z: 11 9.425 2.023 0.510 0.279 0.900 0.300 CB 1.392 11 residues pruned to eliminate duplicates Z: 15 48.539 2.386 0.986 0.897 1.000 0.929 C 1.959 15 residues pruned to eliminate duplicates Z: 18 18.645 2.152 0.686 0.449 0.882 0.588 CB 1.487 18 residues pruned to eliminate duplicates Z: 21 43.465 2.361 0.993 0.710 0.900 0.650 CB 1.897 21 residues pruned to eliminate duplicates Z: 14 38.119 2.247 0.937 0.919 1.000 0.538 CB 1.711 14 residues pruned to eliminate duplicates Z: 6 17.114 2.448 0.475 0.602 1.000 0.800 CB 1.924 6 residues pruned to eliminate duplicates Z: 6 12.191 2.317 0.709 0.458 0.800 0.600 CB 1.797 6 residues pruned to eliminate duplicates Z: 10 5.550 1.957 0.339 0.340 0.778 0.444 CB 1.081 10 residues pruned to eliminate duplicates Z: 32 55.279 2.306 1.050 0.628 0.968 0.806 CA 1.924 32 residues pruned to eliminate duplicates Z: 52 59.671 2.397 0.636 0.701 0.941 0.745 CB 1.885 52 residues pruned to eliminate duplicates Z: 9 13.036 1.892 0.936 0.645 0.875 0.625 CB 1.256 9 residues pruned to eliminate duplicates Z: 18 38.372 2.145 0.907 0.941 1.000 0.824 CB 1.579 18 residues pruned to eliminate duplicates Z: 37 29.316 2.210 0.845 0.396 0.833 0.500 CB 1.606 37 residues pruned to eliminate duplicates Z: 19 33.300 2.401 0.496 0.642 1.000 0.722 C 1.913 19 residues pruned to eliminate duplicates Z: 45 63.446 2.455 0.958 0.668 0.955 0.773 CB 1.785 45 residues pruned to eliminate duplicates Z: 45 48.031 2.345 0.926 0.567 0.841 0.659 CB 1.786 45 residues pruned to eliminate duplicates Z: 55 65.080 2.492 0.875 0.648 0.889 0.722 CB 1.857 55 residues pruned to eliminate duplicates Z: 8 8.765 2.035 0.738 0.382 0.714 0.571 CB 1.486 8 residues pruned to eliminate duplicates Z: 8 18.566 2.085 0.643 0.802 1.000 0.714 CB 1.574 8 residues pruned to eliminate duplicates Z: 19 16.875 2.087 0.582 0.504 0.944 0.556 CB 1.270 19 residues pruned to eliminate duplicates Z: 6 10.108 1.881 0.473 0.733 0.800 0.800 N 1.654 6 residues pruned to eliminate duplicates Z: 63 52.349 2.467 0.686 0.512 0.871 0.581 CB 1.814 63 residues pruned to eliminate duplicates Z: 18 37.499 2.199 0.795 0.818 1.000 0.824 CA 1.747 18 residues pruned to eliminate duplicates Z: 53 59.157 2.345 0.723 0.700 0.942 0.731 CB 1.795 53 residues pruned to eliminate duplicates Z: 37 43.612 2.422 0.870 0.517 0.861 0.639 CB 1.833 37 residues pruned to eliminate duplicates Z: 18 52.362 2.401 1.006 0.919 1.000 0.824 CA 1.858 18 residues pruned to eliminate duplicates Z: 18 28.190 2.191 0.617 0.803 0.882 0.588 CA 1.678 18 residues pruned to eliminate duplicates Z: 34 37.557 2.351 0.784 0.511 0.818 0.485 CB 1.884 34 residues pruned to eliminate duplicates Z: 9 13.267 1.986 0.900 0.470 0.750 0.750 C 1.708 11 residues pruned to eliminate duplicates Z: 36 23.846 2.225 0.659 0.351 0.829 0.514 CB 1.548 36 residues pruned to eliminate duplicates Z: 12 20.629 1.989 0.432 0.887 1.000 0.909 C 1.575 12 residues pruned to eliminate duplicates Z: 15 19.338 2.237 0.784 0.343 0.857 0.786 CA 1.793 15 residues pruned to eliminate duplicates Z: 18 57.503 2.506 1.122 0.938 0.941 0.824 CA 1.939 18 residues pruned to eliminate duplicates Z: 36 41.071 2.165 0.790 0.567 0.943 0.657 CA 1.781 36 residues pruned to eliminate duplicates Z: 6 9.132 1.819 0.256 0.870 1.000 0.800 CA 1.306 6 residues pruned to eliminate duplicates Z: 18 26.390 2.178 0.497 0.824 0.882 0.882 CB 1.681 18 residues pruned to eliminate duplicates Z: 9 12.781 2.372 0.832 0.257 0.875 0.375 CA 1.570 9 residues pruned to eliminate duplicates Z: 12 11.225 2.250 0.355 0.382 0.818 0.636 CB 1.538 12 residues pruned to eliminate duplicates Z: 38 54.729 2.564 1.023 0.506 0.865 0.649 CB 1.994 38 residues pruned to eliminate duplicates Z: 14 30.988 2.090 0.843 0.840 1.000 0.769 CB 1.665 14 residues pruned to eliminate duplicates Z: 18 29.407 2.051 0.633 0.855 1.000 0.765 CA 1.571 18 residues pruned to eliminate duplicates Z: 14 34.539 2.453 0.912 0.911 1.000 0.846 CB 1.447 14 residues pruned to eliminate duplicates Z: 18 31.166 2.202 0.552 0.826 1.000 0.706 CB 1.668 18 residues pruned to eliminate duplicates Z: 10 11.527 1.945 1.088 0.468 0.667 0.556 CB 1.466 10 residues pruned to eliminate duplicates Z: 27 23.265 2.134 0.731 0.428 0.846 0.538 CB 1.575 27 residues pruned to eliminate duplicates Z: 22 10.900 1.860 0.587 0.367 0.810 0.429 CB 1.147 17 residues pruned to eliminate duplicates Z: 52 43.445 2.212 0.758 0.545 0.941 0.667 CB 1.590 54 residues pruned to eliminate duplicates Z: 18 31.074 2.136 0.663 0.916 1.000 0.824 CB 1.498 17 residues pruned to eliminate duplicates Z: 11 10.930 2.168 0.698 0.282 0.800 0.600 CB 1.502 11 residues pruned to eliminate duplicates Z: 25 19.400 2.273 0.581 0.417 0.792 0.417 CB 1.517 25 residues pruned to eliminate duplicates Z: 14 37.885 2.291 1.003 0.930 1.000 0.769 CB 1.601 14 residues pruned to eliminate duplicates Z: 10 35.425 2.270 1.200 0.793 1.000 1.000 CA 1.829 10 residues pruned to eliminate duplicates Z: 31 47.699 2.345 0.865 0.625 0.967 0.667 CB 1.830 31 residues pruned to eliminate duplicates Z: 15 30.891 2.041 0.903 0.886 0.929 0.786 CB 1.651 15 residues pruned to eliminate duplicates Z: 42 29.454 2.222 0.646 0.401 0.878 0.561 CB 1.591 42 residues pruned to eliminate duplicates Z: 18 29.694 2.169 0.662 0.814 0.941 0.706 CA 1.616 18 residues pruned to eliminate duplicates Z: 42 48.507 2.560 0.799 0.478 0.854 0.610 CB 1.970 42 residues pruned to eliminate duplicates Z: 12 42.758 2.366 1.046 0.930 1.000 0.727 CA 1.862 12 residues pruned to eliminate duplicates Z: 17 26.382 2.097 0.372 0.877 1.000 0.938 CB 1.664 17 residues pruned to eliminate duplicates Z: 19 40.123 2.552 1.173 0.481 0.833 0.667 CA 2.086 19 residues pruned to eliminate duplicates Z: 10 6.294 2.010 0.968 0.262 0.556 0.444 CB 1.252 10 residues pruned to eliminate duplicates Z: 12 8.136 1.792 0.265 0.397 0.818 0.545 CB 1.475 12 residues pruned to eliminate duplicates Z: 6 2.685 1.339 0.163 0.343 0.800 0.600 C 1.144 Z: 16 11.633 2.164 0.454 0.299 0.867 0.467 CB 1.378 16 residues pruned to eliminate duplicates Z: 18 33.540 2.087 0.857 0.861 1.000 0.882 CB 1.543 18 residues pruned to eliminate duplicates Z: 48 68.807 2.460 0.965 0.679 0.979 0.766 CB 1.800 48 residues pruned to eliminate duplicates Z: 11 13.023 2.136 0.377 0.328 1.000 0.800 CA 1.690 11 residues pruned to eliminate duplicates Z: 13 59.924 2.579 1.354 0.928 1.000 0.833 CA 1.996 13 residues pruned to eliminate duplicates Z: 48 61.824 2.366 0.867 0.676 0.936 0.681 CB 1.854 48 residues pruned to eliminate duplicates Z: 41 31.992 2.143 0.841 0.482 0.825 0.525 CB 1.582 41 residues pruned to eliminate duplicates Z: 8 4.433 1.547 0.477 0.324 0.857 0.571 CB 1.039 3 residues pruned to eliminate duplicates Z: 28 38.818 2.334 1.101 0.592 0.815 0.593 CB 1.711 28 residues pruned to eliminate duplicates Z: 13 20.374 2.273 0.628 0.466 0.917 0.833 CA 1.796 9 residues pruned to eliminate duplicates Z: 12 37.118 2.288 0.944 0.889 1.000 1.000 C 1.811 12 residues pruned to eliminate duplicates Z: 25 32.252 2.185 0.750 0.576 0.917 0.708 CB 1.746 38 residues pruned to eliminate duplicates Z: 9 14.008 2.258 0.551 0.387 0.875 0.750 C 1.822 9 residues pruned to eliminate duplicates Z: 21 50.747 2.392 0.984 0.666 1.000 0.750 CB 2.051 21 residues pruned to eliminate duplicates Z: 31 41.455 2.477 0.892 0.537 0.867 0.600 CB 1.797 31 residues pruned to eliminate duplicates Z: 64 63.101 2.297 0.827 0.660 0.921 0.698 CB 1.774 64 residues pruned to eliminate duplicates Z: 16 32.658 2.298 0.561 0.855 1.000 0.867 CB 1.735 16 residues pruned to eliminate duplicates Z: 29 50.343 2.529 1.110 0.582 0.929 0.714 CB 1.775 29 residues pruned to eliminate duplicates Z: 9 21.903 2.157 1.071 0.556 0.875 0.750 CA 1.876 9 residues pruned to eliminate duplicates Z: 12 28.498 2.121 0.865 0.884 1.000 0.818 CA 1.570 12 residues pruned to eliminate duplicates Z: 18 29.015 2.107 0.698 0.784 0.941 0.706 CA 1.628 18 residues pruned to eliminate duplicates Z: 28 33.691 2.271 0.756 0.490 0.926 0.630 CB 1.775 28 residues pruned to eliminate duplicates Z: 27 30.160 2.230 0.775 0.456 0.962 0.577 CB 1.626 27 residues pruned to eliminate duplicates Z: 9 21.749 2.208 0.803 0.817 0.875 0.500 CB 1.676 9 residues pruned to eliminate duplicates Z: 6 2.834 1.619 -0.023 0.379 1.000 0.600 CB 0.911 Z: 61 66.972 2.471 0.793 0.632 0.917 0.717 CB 1.881 61 residues pruned to eliminate duplicates Z: 7 2.509 1.550 -0.205 0.407 0.833 0.667 CA 1.100 Z: 12 14.816 2.005 0.543 0.462 1.000 0.545 CB 1.500 12 residues pruned to eliminate duplicates Z: 16 51.202 2.420 1.099 0.930 1.000 0.867 CB 1.819 16 residues pruned to eliminate duplicates Z: 13 38.251 2.387 0.854 0.919 1.000 0.833 CB 1.759 13 residues pruned to eliminate duplicates Z: 12 19.500 2.078 0.397 0.793 1.000 0.727 CB 1.566 12 residues pruned to eliminate duplicates Z: 19 50.391 2.416 1.007 0.913 0.944 0.833 CA 1.835 19 residues pruned to eliminate duplicates Z: 13 13.648 2.220 0.859 0.353 0.750 0.583 CB 1.492 13 residues pruned to eliminate duplicates Z: 15 29.458 2.127 0.697 0.853 1.000 0.929 CB 1.612 15 residues pruned to eliminate duplicates Z: 6 2.929 1.215 0.025 0.678 1.000 0.400 CA 0.893 5 residues pruned to eliminate duplicates Z: 6 15.165 2.171 1.702 0.655 0.800 0.800 CB 1.252 6 residues pruned to eliminate duplicates Z: 6 5.905 1.546 0.655 0.511 1.000 0.600 C 1.021 6 residues pruned to eliminate duplicates Z: 21 12.632 2.127 0.486 0.305 0.750 0.450 CB 1.479 21 residues pruned to eliminate duplicates Z: 14 21.644 2.022 1.180 0.603 0.846 0.692 C 1.460 14 residues pruned to eliminate duplicates Z: 14 27.428 2.035 0.703 0.919 1.000 0.769 CB 1.546 14 residues pruned to eliminate duplicates Z: 6 3.729 1.394 0.488 0.737 0.800 0.800 CA 0.813 6 residues pruned to eliminate duplicates Z: 6 5.711 1.802 0.516 0.543 0.800 0.600 CA 1.120 6 residues pruned to eliminate duplicates Z: 39 57.522 2.485 0.801 0.652 0.947 0.763 CB 1.910 39 residues pruned to eliminate duplicates Z: 15 10.606 2.165 0.155 0.346 0.857 0.500 CB 1.563 15 residues pruned to eliminate duplicates Z: 32 65.866 2.507 1.020 0.768 0.968 0.742 CB 1.904 32 residues pruned to eliminate duplicates Z: 25 43.814 2.344 0.918 0.669 0.917 0.542 CB 1.856 26 residues pruned to eliminate duplicates Z: 14 23.096 2.323 0.823 0.383 0.923 0.538 CA 1.856 14 residues pruned to eliminate duplicates Z: 14 42.984 2.325 1.123 0.899 1.000 0.846 CB 1.727 14 residues pruned to eliminate duplicates Z: 19 32.292 2.144 0.532 0.839 1.000 1.000 CA 1.731 19 residues pruned to eliminate duplicates Z: 8 3.166 1.473 0.380 0.439 0.857 0.571 CB 0.731 Z: 26 25.894 2.304 0.619 0.424 0.920 0.640 CB 1.634 26 residues pruned to eliminate duplicates Z: 12 28.016 2.144 0.893 0.894 1.000 0.818 CA 1.493 12 residues pruned to eliminate duplicates Z: 30 48.588 2.338 0.973 0.594 0.931 0.793 CB 1.921 30 residues pruned to eliminate duplicates Z: 31 50.522 2.356 0.851 0.616 1.000 0.767 CB 1.895 32 residues pruned to eliminate duplicates Z: 30 23.133 2.175 0.582 0.327 0.862 0.448 CB 1.752 37 residues pruned to eliminate duplicates Z: 64 69.427 2.404 0.884 0.610 0.937 0.714 CB 1.858 64 residues pruned to eliminate duplicates Z: 44 51.526 2.396 0.873 0.568 0.953 0.674 CB 1.719 44 residues pruned to eliminate duplicates Z: 25 42.874 2.524 0.775 0.589 0.875 0.792 CB 2.049 25 residues pruned to eliminate duplicates Z: 33 46.470 2.384 0.772 0.640 0.938 0.812 CB 1.819 33 residues pruned to eliminate duplicates Z: 18 29.494 2.062 0.880 0.905 0.882 0.529 CB 1.488 18 residues pruned to eliminate duplicates Z: 27 44.860 2.345 0.565 0.761 1.000 0.846 CA 1.901 27 residues pruned to eliminate duplicates Z: 7 21.050 2.019 1.791 0.719 0.833 0.667 C 1.501 14 residues pruned to eliminate duplicates Z: 18 27.358 2.586 1.103 0.303 0.765 0.529 CB 1.988 18 residues pruned to eliminate duplicates Z: 12 68.749 2.726 1.433 0.912 1.000 0.818 CA 2.214 12 residues pruned to eliminate duplicates Z: 15 7.245 1.639 0.451 0.262 0.857 0.357 CB 1.247 Z: 23 21.767 2.174 0.608 0.427 0.955 0.591 CB 1.500 23 residues pruned to eliminate duplicates Z: 6 4.997 1.595 0.564 0.636 0.800 0.600 CA 0.985 6 residues pruned to eliminate duplicates Z: 11 18.720 1.979 0.598 0.804 1.000 0.700 CB 1.436 11 residues pruned to eliminate duplicates Z: 31 40.647 2.383 0.774 0.586 0.900 0.700 CB 1.797 31 residues pruned to eliminate duplicates Z: 23 18.869 2.312 0.507 0.354 0.773 0.545 CB 1.750 23 residues pruned to eliminate duplicates Z: 13 34.399 2.381 0.880 0.691 1.000 0.917 CA 1.863 13 residues pruned to eliminate duplicates Z: 14 42.218 2.285 1.058 0.949 1.000 0.923 CA 1.718 14 residues pruned to eliminate duplicates Z: 27 32.536 2.295 0.850 0.519 0.885 0.615 CB 1.666 27 residues pruned to eliminate duplicates Z: 15 45.293 2.666 1.347 0.495 0.929 0.786 CA 2.094 15 residues pruned to eliminate duplicates Z: 27 39.178 2.325 0.728 0.627 0.923 0.692 CB 1.838 27 residues pruned to eliminate duplicates Z: 49 59.921 2.372 0.932 0.550 0.938 0.625 CB 1.918 49 residues pruned to eliminate duplicates Z: 31 52.882 2.413 0.652 0.764 0.967 0.833 C 1.982 31 residues pruned to eliminate duplicates Z: 10 28.277 2.465 0.350 0.911 1.000 0.778 C 2.007 10 residues pruned to eliminate duplicates Z: 22 35.917 2.297 0.735 0.705 0.905 0.762 CB 1.805 22 residues pruned to eliminate duplicates Z: 15 31.436 2.233 0.692 0.794 1.000 0.786 CB 1.719 15 residues pruned to eliminate duplicates Z: 34 51.429 2.354 0.836 0.685 0.939 0.636 CB 1.860 34 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 23 28.698 2.129 0.628 0.679 0.909 0.591 CB 1.647 23 residues pruned to eliminate duplicates Z: 52 60.963 2.397 0.679 0.686 0.941 0.706 CB 1.901 51 residues pruned to eliminate duplicates Z: 15 28.027 2.072 0.790 0.860 0.929 0.643 CA 1.600 15 residues pruned to eliminate duplicates Z: 53 61.580 2.395 0.762 0.690 0.904 0.712 CB 1.882 53 residues pruned to eliminate duplicates Z: 53 60.289 2.381 0.715 0.665 0.942 0.731 CB 1.865 53 residues pruned to eliminate duplicates Z: 51 72.237 2.410 0.860 0.718 0.960 0.660 CB 1.949 51 residues pruned to eliminate duplicates Z: 18 37.283 2.226 0.873 0.830 0.941 0.647 CA 1.734 18 residues pruned to eliminate duplicates Z: 15 31.905 2.131 0.728 0.887 1.000 0.857 CB 1.669 15 residues pruned to eliminate duplicates Z: 51 69.470 2.414 0.756 0.713 0.980 0.740 CB 1.949 51 residues pruned to eliminate duplicates Z: 18 36.067 2.199 0.773 0.828 1.000 0.765 CA 1.690 18 residues pruned to eliminate duplicates Z: 53 66.304 2.390 0.804 0.669 0.962 0.808 CB 1.897 53 residues pruned to eliminate duplicates Z: 51 64.617 2.398 0.814 0.697 0.940 0.720 CB 1.867 52 residues pruned to eliminate duplicates Z: 19 29.607 2.096 0.721 0.781 0.944 0.778 CB 1.600 19 residues pruned to eliminate duplicates Z: 55 64.055 2.380 0.797 0.682 0.907 0.667 CB 1.900 55 residues pruned to eliminate duplicates Z: 52 62.959 2.351 0.804 0.673 0.961 0.686 CB 1.844 52 residues pruned to eliminate duplicates Z: 52 65.825 2.387 0.708 0.719 0.980 0.725 CB 1.893 52 residues pruned to eliminate duplicates Z: 51 66.445 2.414 0.710 0.706 0.980 0.720 CB 1.926 50 residues pruned to eliminate duplicates Z: 6 4.906 1.808 0.539 0.287 0.800 0.200 C 1.251 6 residues pruned to eliminate duplicates Z: 52 65.608 2.368 0.769 0.711 0.961 0.725 CB 1.885 52 residues pruned to eliminate duplicates Z: 51 65.394 2.399 0.763 0.705 0.960 0.740 CB 1.890 51 residues pruned to eliminate duplicates Z: 51 64.556 2.399 0.709 0.691 0.980 0.720 CB 1.909 51 residues pruned to eliminate duplicates Z: 51 65.060 2.419 0.703 0.718 0.960 0.800 CB 1.911 51 residues pruned to eliminate duplicates Z: 52 63.028 2.370 0.729 0.702 0.961 0.706 CB 1.864 52 residues pruned to eliminate duplicates Z: 52 64.053 2.365 0.783 0.702 0.961 0.765 CB 1.842 52 residues pruned to eliminate duplicates Z: 52 62.269 2.383 0.654 0.724 0.961 0.784 CB 1.881 52 residues pruned to eliminate duplicates Z: 55 62.243 2.349 0.773 0.663 0.963 0.630 CB 1.815 55 residues pruned to eliminate duplicates Z: 13 40.811 2.351 0.996 0.929 1.000 0.667 CB 1.757 13 residues pruned to eliminate duplicates Z: 51 70.761 2.406 0.830 0.717 0.960 0.760 CB 1.945 51 residues pruned to eliminate duplicates Z: 51 71.344 2.410 0.815 0.727 0.980 0.740 CB 1.919 51 residues pruned to eliminate duplicates Z: 53 63.857 2.363 0.757 0.704 0.962 0.673 CB 1.843 53 residues pruned to eliminate duplicates Z: 56 58.433 2.273 0.835 0.656 0.909 0.655 CB 1.797 56 residues pruned to eliminate duplicates Z: 55 61.078 2.329 0.787 0.663 0.926 0.667 CB 1.854 55 residues pruned to eliminate duplicates Z: 51 74.487 2.426 0.928 0.730 0.940 0.740 CB 1.948 51 residues pruned to eliminate duplicates Z: 14 32.902 2.287 0.961 0.880 0.846 0.615 CA 1.743 14 residues pruned to eliminate duplicates Z: 55 64.616 2.312 0.844 0.686 0.963 0.685 CB 1.806 55 residues pruned to eliminate duplicates Z: 53 71.068 2.402 0.940 0.697 0.923 0.673 CB 1.913 53 residues pruned to eliminate duplicates Z: 6 3.915 1.520 0.284 0.337 1.000 0.800 CB 1.072 6 residues pruned to eliminate duplicates Z: 50 67.865 2.398 0.804 0.714 0.959 0.592 CB 1.925 50 residues pruned to eliminate duplicates Z: 52 65.660 2.346 0.833 0.719 0.941 0.784 CB 1.864 52 residues pruned to eliminate duplicates Z: 53 61.598 2.359 0.802 0.672 0.942 0.788 CB 1.820 53 residues pruned to eliminate duplicates Z: 55 66.202 2.351 0.814 0.706 0.944 0.704 CB 1.854 55 residues pruned to eliminate duplicates Z: 51 69.247 2.425 0.814 0.709 0.940 0.780 CB 1.958 51 residues pruned to eliminate duplicates Z: 37 50.181 2.355 0.916 0.637 0.889 0.750 CB 1.834 37 residues pruned to eliminate duplicates Z: 52 64.338 2.400 0.749 0.706 0.922 0.706 CB 1.931 52 residues pruned to eliminate duplicates Z: 52 66.742 2.403 0.768 0.703 0.961 0.765 CB 1.904 52 residues pruned to eliminate duplicates Z: 53 67.171 2.348 0.898 0.704 0.962 0.654 CB 1.806 53 residues pruned to eliminate duplicates Z: 35 52.020 2.366 0.889 0.633 0.941 0.588 CB 1.871 35 residues pruned to eliminate duplicates Z: 51 69.861 2.403 0.878 0.709 0.940 0.700 CB 1.927 51 residues pruned to eliminate duplicates Z: 52 67.236 2.393 0.849 0.696 0.941 0.686 CB 1.890 53 residues pruned to eliminate duplicates Z: 13 31.161 2.220 0.885 0.736 1.000 0.667 CA 1.739 13 residues pruned to eliminate duplicates Z: 61 74.177 2.492 0.948 0.635 0.900 0.650 CB 1.931 61 residues pruned to eliminate duplicates Z: 64 54.888 2.301 0.732 0.606 0.905 0.683 CB 1.735 64 residues pruned to eliminate duplicates Z: 25 45.331 2.440 1.136 0.622 0.833 0.625 CB 1.899 25 residues pruned to eliminate duplicates Z: 70 61.965 2.308 0.865 0.597 0.899 0.594 CB 1.759 70 residues pruned to eliminate duplicates Z: 24 42.466 2.487 1.003 0.608 0.783 0.652 CB 2.049 24 residues pruned to eliminate duplicates Z: 11 11.417 2.151 0.874 0.432 0.700 0.500 CB 1.373 11 residues pruned to eliminate duplicates Z: 9 13.249 2.301 0.894 0.430 0.750 0.625 CB 1.541 9 residues pruned to eliminate duplicates Z: 77 75.029 2.415 0.847 0.678 0.908 0.645 CB 1.804 77 residues pruned to eliminate duplicates Z: 10 10.093 2.057 0.833 0.390 0.778 0.444 CB 1.289 10 residues pruned to eliminate duplicates Z: 30 46.087 2.517 0.927 0.550 0.862 0.621 CB 1.950 30 residues pruned to eliminate duplicates Z: 40 42.130 2.277 0.671 0.579 0.923 0.718 CB 1.781 40 residues pruned to eliminate duplicates Z: 12 12.268 2.222 0.795 0.370 0.727 0.545 CB 1.466 12 residues pruned to eliminate duplicates Z: 21 46.205 2.621 1.000 0.601 0.850 0.700 CA 2.106 21 residues pruned to eliminate duplicates Z: 29 37.160 2.530 0.702 0.510 0.821 0.643 CB 1.966 29 residues pruned to eliminate duplicates Z: 21 42.722 2.603 0.912 0.593 0.850 0.750 CB 2.066 21 residues pruned to eliminate duplicates Z: 29 27.142 2.322 0.630 0.475 0.786 0.750 CB 1.768 29 residues pruned to eliminate duplicates Z: 31 36.398 2.470 0.702 0.517 0.833 0.600 CB 1.866 31 residues pruned to eliminate duplicates Z: 27 46.975 2.606 0.831 0.536 0.885 0.654 CB 2.106 27 residues pruned to eliminate duplicates Z: 29 47.509 2.581 0.916 0.552 0.857 0.429 CB 2.014 29 residues pruned to eliminate duplicates Z: 27 44.446 2.612 0.833 0.531 0.846 0.577 CB 2.087 27 residues pruned to eliminate duplicates Z: 42 46.237 2.498 0.846 0.442 0.829 0.561 CB 2.005 42 residues pruned to eliminate duplicates Z: 20 50.788 2.687 0.899 0.591 0.947 0.684 CB 2.210 20 residues pruned to eliminate duplicates Z: 51 48.475 2.338 0.908 0.571 0.840 0.680 CB 1.708 51 residues pruned to eliminate duplicates Z: 69 51.144 2.289 0.739 0.541 0.882 0.603 CB 1.697 69 residues pruned to eliminate duplicates Z: 47 57.695 2.410 0.952 0.593 0.891 0.609 CB 1.855 47 residues pruned to eliminate duplicates Z: 28 42.710 2.512 0.870 0.521 0.889 0.593 CB 1.929 28 residues pruned to eliminate duplicates Z: 22 43.563 2.500 0.996 0.548 0.857 0.667 CA 2.121 22 residues pruned to eliminate duplicates Z: 19 54.925 2.746 0.942 0.623 0.944 0.667 CA 2.289 19 residues pruned to eliminate duplicates Z: 18 45.694 2.692 0.839 0.661 0.941 0.706 CA 2.048 18 residues pruned to eliminate duplicates Z: 46 47.577 2.525 0.778 0.481 0.844 0.533 CB 1.908 46 residues pruned to eliminate duplicates Z: 38 43.826 2.541 0.789 0.515 0.811 0.541 CB 1.926 38 residues pruned to eliminate duplicates Z: 83 58.022 2.413 0.765 0.496 0.854 0.585 CB 1.769 83 residues pruned to eliminate duplicates Z: 65 44.529 2.310 0.733 0.473 0.859 0.516 CB 1.663 65 residues pruned to eliminate duplicates Z: 31 47.599 2.543 0.884 0.559 0.900 0.567 CB 1.902 31 residues pruned to eliminate duplicates Z: 39 49.675 2.593 0.839 0.467 0.895 0.474 CB 1.954 39 residues pruned to eliminate duplicates Z: 42 37.681 2.498 0.682 0.461 0.829 0.634 CB 1.757 42 residues pruned to eliminate duplicates Z: 33 26.773 2.376 0.723 0.420 0.781 0.469 CB 1.609 33 residues pruned to eliminate duplicates Z: 19 16.333 2.151 0.723 0.326 0.833 0.444 CB 1.509 19 residues pruned to eliminate duplicates Z: 54 43.546 2.385 0.752 0.513 0.849 0.547 CB 1.665 54 residues pruned to eliminate duplicates Z: 10 16.950 2.143 0.877 0.472 0.889 0.556 CB 1.626 10 residues pruned to eliminate duplicates Z: 10 13.008 2.169 0.505 0.439 0.889 0.444 C 1.592 10 residues pruned to eliminate duplicates Z: 59 47.513 2.448 0.717 0.471 0.862 0.552 CB 1.774 59 residues pruned to eliminate duplicates Z: 67 48.107 2.439 0.764 0.409 0.848 0.500 CB 1.785 67 residues pruned to eliminate duplicates Z: 46 42.808 2.442 0.762 0.447 0.867 0.578 CB 1.806 46 residues pruned to eliminate duplicates Z: 41 27.145 2.369 0.544 0.400 0.850 0.500 CB 1.534 41 residues pruned to eliminate duplicates Z: 31 28.463 2.306 0.771 0.436 0.800 0.567 CB 1.698 31 residues pruned to eliminate duplicates Z: 58 56.832 2.481 0.823 0.483 0.912 0.544 CB 1.855 58 residues pruned to eliminate duplicates Z: 48 40.422 2.297 0.748 0.512 0.872 0.638 CB 1.663 48 residues pruned to eliminate duplicates Z: 22 16.375 2.227 0.595 0.361 0.762 0.429 CB 1.534 22 residues pruned to eliminate duplicates Z: 18 19.518 2.273 0.791 0.457 0.765 0.529 CB 1.589 18 residues pruned to eliminate duplicates Z: 19 16.930 2.125 0.666 0.413 0.778 0.444 CB 1.587 19 residues pruned to eliminate duplicates Z: 24 32.202 2.279 0.894 0.472 0.913 0.478 CB 1.753 24 residues pruned to eliminate duplicates Z: 12 15.679 2.279 0.488 0.402 0.909 0.636 CB 1.701 12 residues pruned to eliminate duplicates Z: 26 30.322 2.295 0.763 0.463 0.920 0.520 CB 1.692 26 residues pruned to eliminate duplicates Z: 21 23.137 2.170 0.727 0.416 0.950 0.600 CB 1.587 21 residues pruned to eliminate duplicates Z: 18 21.139 2.272 0.765 0.373 0.882 0.471 CB 1.660 18 residues pruned to eliminate duplicates Z: 31 31.620 2.284 0.661 0.508 0.967 0.567 CB 1.563 31 residues pruned to eliminate duplicates Z: 25 19.999 2.231 0.533 0.353 0.875 0.500 CB 1.599 25 residues pruned to eliminate duplicates Z: 19 20.200 2.129 0.811 0.425 0.778 0.500 CA 1.717 19 residues pruned to eliminate duplicates Z: 17 24.657 2.275 0.655 0.477 1.000 0.688 CB 1.676 17 residues pruned to eliminate duplicates Z: 17 25.979 2.236 1.000 0.513 0.875 0.562 CB 1.637 17 residues pruned to eliminate duplicates Z: 21 17.944 2.230 0.779 0.405 0.800 0.400 CB 1.398 21 residues pruned to eliminate duplicates Z: 20 18.953 2.199 0.492 0.462 0.895 0.474 CB 1.539 20 residues pruned to eliminate duplicates Z: 41 38.667 2.241 0.773 0.532 0.950 0.675 CB 1.569 41 residues pruned to eliminate duplicates Z: 21 38.184 2.283 0.651 0.748 1.000 0.850 CB 1.816 21 residues pruned to eliminate duplicates Z: 22 34.882 2.210 0.677 0.707 1.000 0.857 CB 1.702 22 residues pruned to eliminate duplicates Z: 28 29.804 2.077 0.581 0.613 0.963 0.778 CB 1.630 28 residues pruned to eliminate duplicates Z: 23 34.136 2.210 0.663 0.719 1.000 0.818 CB 1.625 23 residues pruned to eliminate duplicates Z: 23 34.923 2.241 0.751 0.655 0.955 0.864 CB 1.721 23 residues pruned to eliminate duplicates Z: 24 34.743 2.142 0.929 0.670 0.913 0.783 CB 1.641 24 residues pruned to eliminate duplicates Z: 10 10.351 2.135 0.669 0.224 0.778 0.444 CB 1.720 10 residues pruned to eliminate duplicates Z: 64 72.162 2.500 0.772 0.628 0.952 0.714 CB 1.909 64 residues pruned to eliminate duplicates Z: 65 65.607 2.458 0.724 0.608 0.938 0.734 CB 1.863 65 residues pruned to eliminate duplicates Z: 54 74.722 2.564 0.820 0.685 0.962 0.792 CB 1.929 54 residues pruned to eliminate duplicates Z: 67 84.425 2.530 0.819 0.686 0.955 0.758 CB 1.994 67 residues pruned to eliminate duplicates Z: 54 69.235 2.542 0.736 0.658 0.943 0.736 CB 1.973 54 residues pruned to eliminate duplicates Z: 15 33.293 2.371 0.554 0.834 1.000 0.786 CB 1.810 15 residues pruned to eliminate duplicates Z: 89 54.242 2.300 0.720 0.473 0.898 0.568 CB 1.674 89 residues pruned to eliminate duplicates Z: 56 75.509 2.491 0.856 0.679 0.964 0.782 CB 1.937 56 residues pruned to eliminate duplicates Z: 54 75.171 2.527 0.844 0.665 0.962 0.811 CB 1.976 54 residues pruned to eliminate duplicates Z: 79 83.677 2.509 0.857 0.644 0.923 0.692 CB 1.927 79 residues pruned to eliminate duplicates Z: 69 69.037 2.385 0.818 0.588 0.971 0.735 CB 1.828 69 residues pruned to eliminate duplicates Z: 16 29.807 2.080 0.855 0.799 1.000 0.733 CB 1.535 16 residues pruned to eliminate duplicates Z: 55 68.540 2.510 0.756 0.701 0.926 0.722 CB 1.903 55 residues pruned to eliminate duplicates Z: 54 80.081 2.549 0.889 0.683 0.981 0.868 CB 1.968 54 residues pruned to eliminate duplicates Z: 82 74.559 2.455 0.752 0.623 0.914 0.704 CB 1.876 82 residues pruned to eliminate duplicates Z: 56 69.913 2.486 0.810 0.666 0.945 0.727 CB 1.901 56 residues pruned to eliminate duplicates Z: 54 73.393 2.529 0.864 0.681 0.943 0.717 CB 1.919 54 residues pruned to eliminate duplicates Z: 55 73.651 2.530 0.844 0.677 0.926 0.741 CB 1.972 55 residues pruned to eliminate duplicates Z: 54 72.963 2.551 0.785 0.703 0.962 0.736 CB 1.901 54 residues pruned to eliminate duplicates Z: 63 72.459 2.470 0.802 0.628 0.968 0.677 CB 1.894 63 residues pruned to eliminate duplicates Z: 54 76.535 2.550 0.822 0.680 0.981 0.774 CB 1.955 54 residues pruned to eliminate duplicates Z: 55 68.270 2.530 0.755 0.656 0.944 0.685 CB 1.918 55 residues pruned to eliminate duplicates Z: 53 71.200 2.560 0.805 0.643 0.942 0.769 CB 1.984 53 residues pruned to eliminate duplicates Z: 52 75.763 2.601 0.793 0.699 0.961 0.824 CB 1.976 52 residues pruned to eliminate duplicates Z: 58 74.389 2.473 0.861 0.672 0.982 0.702 CB 1.859 58 residues pruned to eliminate duplicates Z: 55 74.937 2.526 0.838 0.688 0.963 0.722 CB 1.920 55 residues pruned to eliminate duplicates Z: 53 69.818 2.540 0.745 0.692 0.942 0.750 CB 1.945 53 residues pruned to eliminate duplicates Z: 55 72.355 2.522 0.804 0.679 0.963 0.741 CB 1.906 55 residues pruned to eliminate duplicates Z: 54 73.155 2.537 0.808 0.680 0.962 0.811 CB 1.929 54 residues pruned to eliminate duplicates Z: 59 70.041 2.450 0.734 0.681 0.966 0.759 CB 1.898 59 residues pruned to eliminate duplicates Z: 55 78.437 2.529 0.884 0.695 0.981 0.778 CB 1.910 55 residues pruned to eliminate duplicates Z: 39 60.516 2.562 0.812 0.609 0.974 0.632 CB 1.959 39 residues pruned to eliminate duplicates Z: 64 73.754 2.467 0.819 0.644 0.968 0.698 CB 1.869 64 residues pruned to eliminate duplicates Z: 70 76.795 2.460 0.815 0.695 0.942 0.681 CB 1.838 70 residues pruned to eliminate duplicates Z: 53 77.610 2.515 0.975 0.673 0.962 0.635 CB 1.920 53 residues pruned to eliminate duplicates Z: 54 71.371 2.503 0.863 0.654 0.981 0.604 CB 1.857 54 residues pruned to eliminate duplicates Z: 53 78.934 2.559 0.883 0.696 0.981 0.731 CB 1.937 53 residues pruned to eliminate duplicates Z: 67 68.527 2.410 0.851 0.603 0.939 0.682 CB 1.825 67 residues pruned to eliminate duplicates Z: 55 76.019 2.513 0.903 0.699 0.944 0.759 CB 1.911 55 residues pruned to eliminate duplicates Z: 39 49.157 2.304 0.910 0.615 0.921 0.684 CB 1.764 39 residues pruned to eliminate duplicates Z: 54 85.718 2.553 1.019 0.686 0.981 0.736 CB 1.963 54 residues pruned to eliminate duplicates Z: 54 79.745 2.554 0.908 0.687 0.962 0.792 CB 1.969 54 residues pruned to eliminate duplicates Z: 39 65.524 2.599 1.022 0.599 0.947 0.737 CB 1.943 39 residues pruned to eliminate duplicates Z: 53 76.311 2.559 0.867 0.699 0.962 0.769 CB 1.922 53 residues pruned to eliminate duplicates Z: 54 67.361 2.475 0.818 0.708 0.906 0.736 CB 1.879 54 residues pruned to eliminate duplicates Z: 19 30.691 2.386 0.670 0.599 0.944 0.778 C 1.749 19 residues pruned to eliminate duplicates Z: 55 77.959 2.524 0.891 0.689 0.981 0.759 CB 1.905 55 residues pruned to eliminate duplicates Z: 76 81.291 2.499 0.845 0.633 0.947 0.760 CB 1.897 76 residues pruned to eliminate duplicates Z: 67 85.242 2.524 0.933 0.704 0.939 0.803 CB 1.901 67 residues pruned to eliminate duplicates Z: 54 84.122 2.562 0.980 0.688 0.981 0.774 CB 1.954 54 residues pruned to eliminate duplicates Z: 55 75.860 2.519 1.000 0.664 0.926 0.759 CB 1.901 55 residues pruned to eliminate duplicates Z: 58 68.904 2.495 0.888 0.659 0.895 0.754 CB 1.869 58 residues pruned to eliminate duplicates Z: 54 78.991 2.548 0.916 0.689 0.981 0.736 CB 1.906 54 residues pruned to eliminate duplicates Z: 64 75.984 2.496 0.934 0.619 0.952 0.714 CB 1.861 64 residues pruned to eliminate duplicates Z: 67 90.777 2.539 0.945 0.690 0.955 0.773 CB 1.993 67 residues pruned to eliminate duplicates Z: 90 78.128 2.458 0.870 0.597 0.899 0.742 CB 1.828 90 residues pruned to eliminate duplicates Z: 30 23.566 2.337 0.417 0.444 0.793 0.621 CB 1.764 30 residues pruned to eliminate duplicates Z: 51 42.450 2.342 0.648 0.493 0.880 0.560 CB 1.781 51 residues pruned to eliminate duplicates Z: 19 46.925 2.555 1.039 0.638 0.889 0.667 CB 2.099 19 residues pruned to eliminate duplicates Z: 19 42.743 2.494 1.080 0.636 0.889 0.722 CB 1.924 19 residues pruned to eliminate duplicates Z: 39 40.209 2.361 0.694 0.480 0.895 0.684 CB 1.860 39 residues pruned to eliminate duplicates Z: 19 44.965 2.488 1.042 0.689 0.889 0.778 CB 1.973 19 residues pruned to eliminate duplicates Z: 18 45.648 2.555 0.908 0.674 0.941 0.588 CB 2.056 18 residues pruned to eliminate duplicates Z: 30 40.217 2.264 1.026 0.548 0.828 0.655 C 1.877 30 residues pruned to eliminate duplicates Z: 30 42.943 2.515 0.718 0.557 0.897 0.621 CB 1.948 30 residues pruned to eliminate duplicates Z: 28 38.597 2.421 1.030 0.540 0.815 0.630 CB 1.783 43 residues pruned to eliminate duplicates Z: 19 50.353 2.551 1.065 0.635 0.944 0.611 CB 2.102 19 residues pruned to eliminate duplicates Z: 34 38.400 2.341 0.707 0.517 0.909 0.636 CB 1.809 34 residues pruned to eliminate duplicates Z: 58 45.516 2.319 0.834 0.462 0.860 0.544 CB 1.713 58 residues pruned to eliminate duplicates Z: 33 40.415 2.399 0.725 0.521 0.938 0.688 CB 1.803 33 residues pruned to eliminate duplicates Z: 15 6.789 2.132 0.286 0.257 0.714 0.500 CB 1.223 15 residues pruned to eliminate duplicates Z: 33 37.810 2.395 0.678 0.500 0.906 0.531 CB 1.834 33 residues pruned to eliminate duplicates Z: 47 38.768 2.338 0.581 0.461 0.891 0.609 CB 1.806 47 residues pruned to eliminate duplicates Z: 39 27.644 2.262 0.495 0.419 0.895 0.500 CB 1.613 39 residues pruned to eliminate duplicates Z: 14 11.293 2.373 0.177 0.317 0.846 0.538 CB 1.623 14 residues pruned to eliminate duplicates Z: 10 14.950 2.366 0.416 0.387 0.889 0.556 CB 1.888 10 residues pruned to eliminate duplicates Z: 15 14.551 2.336 0.467 0.391 0.786 0.429 CB 1.620 15 residues pruned to eliminate duplicates Z: 26 21.965 2.303 0.624 0.367 0.720 0.440 CB 1.880 26 residues pruned to eliminate duplicates Z: 10 16.669 2.381 0.589 0.398 0.889 0.556 CA 1.839 10 residues pruned to eliminate duplicates Z: 27 19.813 2.234 0.506 0.409 0.769 0.385 CB 1.651 27 residues pruned to eliminate duplicates Z: 30 25.767 2.268 0.583 0.383 0.862 0.483 CB 1.752 30 residues pruned to eliminate duplicates Z: 38 31.748 2.289 0.721 0.423 0.811 0.432 CB 1.770 38 residues pruned to eliminate duplicates Z: 26 25.855 2.273 0.564 0.440 0.920 0.600 CB 1.683 26 residues pruned to eliminate duplicates Z: 37 35.073 2.274 0.748 0.443 0.889 0.528 CB 1.756 37 residues pruned to eliminate duplicates Z: 29 34.881 2.228 0.857 0.473 0.964 0.607 CB 1.699 29 residues pruned to eliminate duplicates Z: 18 22.772 2.108 1.029 0.469 0.882 0.471 CB 1.510 18 residues pruned to eliminate duplicates Z: 18 20.285 2.070 0.828 0.419 0.882 0.412 CB 1.602 18 residues pruned to eliminate duplicates Z: 25 29.538 2.098 0.895 0.486 0.958 0.500 CB 1.605 25 residues pruned to eliminate duplicates Z: 15 21.181 2.312 0.726 0.424 0.857 0.429 CB 1.791 15 residues pruned to eliminate duplicates Z: 17 18.039 2.250 0.581 0.339 0.875 0.375 CB 1.728 17 residues pruned to eliminate duplicates Z: 21 27.946 2.261 0.859 0.443 0.900 0.500 CB 1.751 21 residues pruned to eliminate duplicates Z: 18 19.147 2.151 0.722 0.434 0.882 0.471 CB 1.522 18 residues pruned to eliminate duplicates Z: 35 24.017 2.200 0.677 0.353 0.853 0.471 CB 1.534 35 residues pruned to eliminate duplicates Z: 35 34.569 2.264 0.732 0.386 0.912 0.588 CB 1.873 35 residues pruned to eliminate duplicates Z: 26 27.858 2.238 0.817 0.390 0.880 0.600 CB 1.749 26 residues pruned to eliminate duplicates Z: 14 17.595 2.100 1.056 0.469 0.769 0.538 CB 1.516 14 residues pruned to eliminate duplicates Z: 26 25.698 2.167 0.884 0.459 0.840 0.640 CB 1.562 26 residues pruned to eliminate duplicates Z: 20 17.844 2.032 0.629 0.430 0.895 0.474 CB 1.487 20 residues pruned to eliminate duplicates Z: 53 46.277 2.317 0.719 0.526 0.865 0.673 CB 1.815 53 residues pruned to eliminate duplicates Z: 46 58.833 2.366 0.878 0.596 0.933 0.689 CB 1.929 46 residues pruned to eliminate duplicates Z: 30 50.267 2.384 0.842 0.645 0.931 0.690 C 1.995 30 residues pruned to eliminate duplicates Z: 31 56.531 2.381 0.959 0.676 0.967 0.833 CB 1.946 31 residues pruned to eliminate duplicates Z: 6 5.001 1.641 0.487 0.393 0.800 0.600 C 1.283 6 residues pruned to eliminate duplicates Z: 29 55.351 2.429 0.927 0.639 0.964 0.821 CA 2.034 29 residues pruned to eliminate duplicates Z: 32 52.585 2.360 0.941 0.632 0.968 0.774 CB 1.882 32 residues pruned to eliminate duplicates Z: 31 49.674 2.329 0.908 0.647 0.967 0.733 CB 1.842 31 residues pruned to eliminate duplicates Z: 36 51.660 2.311 0.833 0.625 0.943 0.686 CB 1.943 36 residues pruned to eliminate duplicates Z: 22 49.669 2.389 1.022 0.694 0.952 0.857 CB 1.973 22 residues pruned to eliminate duplicates Z: 29 55.964 2.460 0.855 0.680 0.964 0.786 CB 2.037 29 residues pruned to eliminate duplicates Z: 29 60.357 2.478 0.958 0.687 0.964 0.893 CB 2.055 29 residues pruned to eliminate duplicates Z: 18 54.010 2.495 0.851 0.947 1.000 0.882 CA 1.960 18 residues pruned to eliminate duplicates Z: 36 51.713 2.355 0.874 0.602 0.914 0.743 C 1.966 35 residues pruned to eliminate duplicates Z: 19 53.230 2.481 0.901 0.922 1.000 0.778 CA 1.870 19 residues pruned to eliminate duplicates Z: 30 54.342 2.372 0.923 0.658 0.966 0.793 CB 1.979 30 residues pruned to eliminate duplicates Z: 44 45.822 2.294 0.814 0.514 0.907 0.744 CB 1.826 31 residues pruned to eliminate duplicates Z: 18 63.050 2.509 1.127 0.956 1.000 0.941 CA 1.967 18 residues pruned to eliminate duplicates Z: 31 52.597 2.333 0.923 0.652 0.967 0.767 C 1.923 31 residues pruned to eliminate duplicates Z: 30 53.523 2.407 1.009 0.650 0.931 0.793 CA 1.919 44 residues pruned to eliminate duplicates Z: 19 58.219 2.476 1.097 0.926 1.000 0.778 CA 1.854 19 residues pruned to eliminate duplicates Z: 35 53.335 2.361 0.989 0.600 0.912 0.706 CA 1.941 35 residues pruned to eliminate duplicates Z: 30 51.618 2.410 0.842 0.663 0.931 0.724 CB 1.995 30 residues pruned to eliminate duplicates Z: 29 54.144 2.448 0.823 0.679 0.964 0.750 CA 2.017 29 residues pruned to eliminate duplicates Z: 10 15.214 2.085 0.625 0.487 0.889 0.667 CA 1.706 10 residues pruned to eliminate duplicates Z: 10 15.551 2.173 0.430 0.481 1.000 0.778 CA 1.700 10 residues pruned to eliminate duplicates Z: 31 52.736 2.342 0.879 0.646 1.000 0.800 CA 1.909 31 residues pruned to eliminate duplicates Z: 27 57.426 2.439 1.065 0.674 0.962 0.962 CB 1.981 27 residues pruned to eliminate duplicates Z: 31 48.605 2.334 0.850 0.626 0.933 0.667 C 1.955 31 residues pruned to eliminate duplicates 264 residues left after pruning, divided into chains as follows: A: 8 B: 256 CC for partial structure against native data = 32.61 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.406, Connect. = 0.775 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.797 for dens.mod. cycle 2 = 0.300, Contrast = 0.557, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.567, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.579, Connect. = 0.836 for dens.mod. cycle 5 = 0.300, Contrast = 0.586, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.593, Connect. = 0.841 for dens.mod. cycle 7 = 0.300, Contrast = 0.598, Connect. = 0.842 for dens.mod. cycle 8 = 0.300, Contrast = 0.602, Connect. = 0.843 for dens.mod. cycle 9 = 0.300, Contrast = 0.605, Connect. = 0.844 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2147 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 430 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 48.346 2.422 0.917 0.907 1.000 0.846 C 2.052 B: 15 46.967 2.446 0.788 0.915 1.000 0.929 C 2.028 14 residues pruned to eliminate duplicates C: 15 40.177 2.358 0.900 0.832 1.000 0.786 C 1.799 15 residues pruned to eliminate duplicates D: 12 57.724 2.548 1.299 0.919 1.000 0.909 C 2.094 13 residues pruned to eliminate duplicates E: 14 49.790 2.447 1.206 0.922 0.923 0.846 CA 1.950 14 residues pruned to eliminate duplicates F: 14 44.540 2.488 0.764 0.922 1.000 0.923 CA 1.979 14 residues pruned to eliminate duplicates G: 16 32.349 2.372 0.470 0.849 0.933 0.800 CB 1.903 16 residues pruned to eliminate duplicates H: 14 42.913 2.506 0.892 0.914 0.923 0.923 CB 1.923 14 residues pruned to eliminate duplicates I: 14 43.934 2.440 0.987 0.897 0.923 0.846 C 1.949 14 residues pruned to eliminate duplicates J: 15 48.081 2.559 0.773 0.908 1.000 0.929 C 2.012 14 residues pruned to eliminate duplicates K: 16 46.395 2.353 0.924 0.893 1.000 0.867 CA 1.899 16 residues pruned to eliminate duplicates L: 69 64.798 2.502 0.795 0.564 0.882 0.706 CB 1.864 15 residues pruned to eliminate duplicates M: 14 38.388 2.469 0.947 0.927 1.000 0.769 CB 1.552 14 residues pruned to eliminate duplicates N: 13 34.013 2.457 0.597 0.925 0.917 0.833 CA 1.916 O: 9 19.446 2.369 1.475 0.489 0.875 0.625 CB 1.356 P: 14 36.894 2.277 0.970 0.924 1.000 0.846 CB 1.602 Q: 14 43.403 2.514 0.783 0.904 0.923 0.846 CA 2.073 14 residues pruned to eliminate duplicates R: 20 42.201 2.322 0.670 0.909 1.000 0.789 CB 1.772 S: 17 50.219 2.506 0.804 0.942 1.000 1.000 CA 1.925 19 residues pruned to eliminate duplicates T: 15 45.502 2.301 1.186 0.913 0.929 0.929 CA 1.843 13 residues pruned to eliminate duplicates U: 13 37.663 2.577 0.862 0.920 0.917 0.750 CB 1.740 13 residues pruned to eliminate duplicates V: 15 50.093 2.384 1.178 0.906 0.929 0.786 CA 1.976 15 residues pruned to eliminate duplicates W: 14 42.739 2.433 0.808 0.896 1.000 0.923 CB 1.930 14 residues pruned to eliminate duplicates X: 13 49.891 2.554 0.926 0.941 1.000 1.000 CA 2.031 14 residues pruned to eliminate duplicates Y: 14 43.703 2.451 1.245 0.930 1.000 0.923 CB 1.541 14 residues pruned to eliminate duplicates Z: 33 43.805 2.552 0.819 0.533 0.844 0.625 CB 1.915 33 residues pruned to eliminate duplicates Z: 14 45.686 2.457 1.310 0.934 1.000 0.923 CB 1.557 14 residues pruned to eliminate duplicates Z: 13 38.847 2.378 0.902 0.917 1.000 0.750 CB 1.750 14 residues pruned to eliminate duplicates Z: 13 43.904 2.590 0.902 0.937 1.000 0.667 CB 1.791 13 residues pruned to eliminate duplicates Z: 13 43.600 2.438 1.140 0.915 0.917 0.917 CA 1.859 13 residues pruned to eliminate duplicates Z: 14 40.505 2.379 0.783 0.908 1.000 0.846 C 1.881 14 residues pruned to eliminate duplicates Z: 18 44.037 2.479 0.586 0.940 1.000 0.882 CB 1.886 18 residues pruned to eliminate duplicates Z: 14 54.316 2.476 1.166 0.885 1.000 0.846 CB 2.028 13 residues pruned to eliminate duplicates Z: 15 40.720 2.341 1.194 0.851 1.000 0.643 CB 1.569 15 residues pruned to eliminate duplicates Z: 13 39.964 2.370 0.969 0.925 1.000 0.750 CB 1.736 13 residues pruned to eliminate duplicates Z: 14 29.886 2.300 0.751 0.856 0.923 0.692 CB 1.644 14 residues pruned to eliminate duplicates Z: 11 30.566 2.437 0.677 0.888 1.000 0.900 CA 1.704 11 residues pruned to eliminate duplicates Z: 14 52.560 2.454 1.319 0.894 0.923 0.846 CB 1.990 15 residues pruned to eliminate duplicates Z: 19 48.610 2.385 0.905 0.885 1.000 0.667 CB 1.821 18 residues pruned to eliminate duplicates Z: 13 39.390 2.557 0.762 0.930 1.000 1.000 CB 1.765 13 residues pruned to eliminate duplicates Z: 14 41.863 2.448 1.255 0.916 1.000 0.615 CB 1.485 14 residues pruned to eliminate duplicates Z: 12 24.019 2.207 0.461 0.883 0.909 0.727 C 1.786 12 residues pruned to eliminate duplicates Z: 13 38.881 2.376 0.925 0.927 0.917 0.833 CA 1.876 13 residues pruned to eliminate duplicates Z: 14 68.263 2.571 1.399 0.931 1.000 0.769 CB 2.145 14 residues pruned to eliminate duplicates Z: 16 52.603 2.575 0.773 0.944 1.000 0.933 CA 2.061 17 residues pruned to eliminate duplicates Z: 13 32.148 2.204 0.758 0.872 1.000 0.750 CB 1.746 13 residues pruned to eliminate duplicates Z: 52 59.379 2.345 0.760 0.682 0.941 0.667 CB 1.811 13 residues pruned to eliminate duplicates Z: 12 42.296 2.544 1.130 0.838 0.909 0.909 CB 1.935 12 residues pruned to eliminate duplicates Z: 17 45.951 2.425 0.785 0.948 1.000 0.938 CA 1.832 17 residues pruned to eliminate duplicates Z: 9 9.531 2.150 1.311 0.409 0.625 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 13 30.837 2.177 0.965 0.869 1.000 0.833 CB 1.520 13 residues pruned to eliminate duplicates Z: 14 47.019 2.404 1.305 0.858 0.923 0.462 C 1.877 14 residues pruned to eliminate duplicates Z: 19 47.379 2.457 0.802 0.886 1.000 0.833 CA 1.820 19 residues pruned to eliminate duplicates Z: 13 54.310 2.554 1.372 0.943 1.000 0.500 CB 1.794 13 residues pruned to eliminate duplicates Z: 13 29.773 2.124 0.906 0.760 1.000 0.667 C 1.685 13 residues pruned to eliminate duplicates Z: 15 35.737 2.333 0.867 0.888 0.857 0.714 CA 1.843 15 residues pruned to eliminate duplicates Z: 12 29.511 2.274 0.607 0.902 1.000 0.818 CB 1.737 12 residues pruned to eliminate duplicates Z: 19 47.232 2.435 0.770 0.924 1.000 0.778 CA 1.815 19 residues pruned to eliminate duplicates Z: 16 42.147 2.267 1.150 0.837 0.933 0.600 CA 1.789 16 residues pruned to eliminate duplicates Z: 15 27.966 2.101 0.669 0.852 1.000 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 15 34.623 2.340 0.658 0.937 1.000 0.857 CB 1.659 15 residues pruned to eliminate duplicates Z: 17 52.555 2.519 0.886 0.938 1.000 1.000 CB 1.923 19 residues pruned to eliminate duplicates Z: 15 44.928 2.422 0.887 0.870 1.000 0.786 C 1.918 15 residues pruned to eliminate duplicates Z: 37 52.555 2.579 0.868 0.519 0.889 0.611 CB 2.007 37 residues pruned to eliminate duplicates Z: 23 14.472 2.030 0.506 0.347 0.818 0.409 CB 1.456 Z: 16 32.482 2.090 0.813 0.899 1.000 0.867 CB 1.583 Z: 16 34.485 2.356 0.677 0.915 0.933 0.867 CB 1.707 16 residues pruned to eliminate duplicates Z: 16 33.977 2.250 0.851 0.874 0.867 0.733 CB 1.769 16 residues pruned to eliminate duplicates Z: 17 51.592 2.469 0.960 0.950 1.000 0.938 CA 1.838 17 residues pruned to eliminate duplicates Z: 12 30.037 2.225 0.783 0.889 1.000 0.818 C 1.643 12 residues pruned to eliminate duplicates Z: 19 46.965 2.350 0.884 0.941 1.000 0.889 CB 1.735 18 residues pruned to eliminate duplicates Z: 12 19.260 1.967 0.367 0.902 1.000 0.909 CA 1.539 12 residues pruned to eliminate duplicates Z: 17 47.286 2.531 0.584 0.948 1.000 0.938 CA 2.036 17 residues pruned to eliminate duplicates Z: 22 38.268 2.394 0.945 0.583 0.905 0.714 CB 1.830 23 residues pruned to eliminate duplicates Z: 13 53.092 2.488 1.214 0.877 1.000 0.833 C 2.020 13 residues pruned to eliminate duplicates Z: 13 61.921 2.535 1.447 0.913 1.000 0.917 C 2.040 28 residues pruned to eliminate duplicates Z: 13 41.206 2.441 0.832 0.933 1.000 0.917 CB 1.856 13 residues pruned to eliminate duplicates Z: 14 33.096 2.434 0.741 0.894 1.000 0.769 CB 1.553 14 residues pruned to eliminate duplicates Z: 16 40.849 2.334 1.015 0.807 0.933 0.800 C 1.838 16 residues pruned to eliminate duplicates Z: 17 51.687 2.478 0.931 0.950 1.000 1.000 CB 1.862 17 residues pruned to eliminate duplicates Z: 25 27.114 2.318 0.702 0.509 0.833 0.542 CB 1.668 25 residues pruned to eliminate duplicates Z: 14 29.482 2.345 0.440 0.933 1.000 0.769 CB 1.690 14 residues pruned to eliminate duplicates Z: 79 70.552 2.443 0.729 0.609 0.910 0.705 CB 1.872 68 residues pruned to eliminate duplicates Z: 14 33.882 2.267 0.962 0.921 0.923 0.538 CB 1.610 14 residues pruned to eliminate duplicates Z: 25 29.471 2.049 0.669 0.648 0.958 0.750 CB 1.599 25 residues pruned to eliminate duplicates Z: 13 31.411 2.565 0.433 0.925 1.000 0.917 CB 1.731 13 residues pruned to eliminate duplicates Z: 12 12.907 2.155 1.115 0.353 0.818 0.545 CB 1.223 6 residues pruned to eliminate duplicates Z: 15 32.290 2.140 0.778 0.925 1.000 0.929 CB 1.591 16 residues pruned to eliminate duplicates Z: 13 20.779 2.049 0.666 0.867 0.917 0.667 CA 1.402 13 residues pruned to eliminate duplicates Z: 14 49.321 2.615 0.946 0.922 0.923 0.923 C 2.047 14 residues pruned to eliminate duplicates Z: 13 41.858 2.528 0.819 0.920 1.000 0.917 CB 1.852 13 residues pruned to eliminate duplicates Z: 28 38.217 2.241 0.902 0.502 0.926 0.667 CA 1.859 23 residues pruned to eliminate duplicates Z: 14 32.307 2.290 0.702 0.936 1.000 0.923 CB 1.601 14 residues pruned to eliminate duplicates Z: 13 21.359 2.033 0.539 0.850 1.000 0.583 CA 1.460 13 residues pruned to eliminate duplicates Z: 51 67.038 2.361 0.874 0.698 0.980 0.680 CB 1.825 52 residues pruned to eliminate duplicates Z: 11 19.771 2.142 0.473 0.905 1.000 0.900 CA 1.411 11 residues pruned to eliminate duplicates Z: 13 16.835 2.118 0.671 0.445 0.833 0.500 CA 1.743 13 residues pruned to eliminate duplicates Z: 15 35.713 2.323 0.808 0.917 1.000 0.929 CB 1.604 15 residues pruned to eliminate duplicates Z: 16 39.616 2.198 0.962 0.883 1.000 0.733 CB 1.715 16 residues pruned to eliminate duplicates Z: 15 53.861 2.583 1.119 0.917 0.929 0.714 CA 1.998 15 residues pruned to eliminate duplicates Z: 15 27.641 2.005 0.791 0.900 0.929 0.857 CA 1.583 15 residues pruned to eliminate duplicates Z: 16 33.405 2.262 0.578 0.942 1.000 1.000 CB 1.676 Z: 15 33.484 2.336 0.689 0.873 1.000 0.929 CB 1.652 15 residues pruned to eliminate duplicates Z: 13 30.824 2.214 0.744 0.878 0.917 0.833 C 1.824 13 residues pruned to eliminate duplicates Z: 30 51.099 2.366 0.879 0.650 0.966 0.793 CB 1.923 22 residues pruned to eliminate duplicates Z: 33 41.506 2.549 0.750 0.532 0.812 0.531 CB 1.962 33 residues pruned to eliminate duplicates Z: 15 24.594 2.086 0.543 0.879 0.929 0.714 CA 1.594 15 residues pruned to eliminate duplicates Z: 11 23.819 2.152 0.417 0.906 1.000 1.000 CA 1.758 11 residues pruned to eliminate duplicates Z: 19 31.916 2.283 0.586 0.778 0.944 0.833 CB 1.721 19 residues pruned to eliminate duplicates Z: 17 28.628 2.156 0.506 0.837 1.000 0.875 CB 1.649 16 residues pruned to eliminate duplicates Z: 13 39.017 2.433 1.033 0.920 0.917 0.667 CB 1.750 13 residues pruned to eliminate duplicates Z: 14 56.869 2.501 1.453 0.923 0.923 0.846 CA 1.958 14 residues pruned to eliminate duplicates Z: 17 35.086 2.154 0.873 0.948 1.000 0.875 CB 1.501 16 residues pruned to eliminate duplicates Z: 17 40.085 2.389 0.681 0.932 1.000 0.875 CA 1.743 17 residues pruned to eliminate duplicates Z: 19 46.685 2.333 0.783 0.940 1.000 0.833 CB 1.837 19 residues pruned to eliminate duplicates Z: 13 42.206 2.459 0.920 0.919 1.000 0.667 CB 1.819 13 residues pruned to eliminate duplicates Z: 48 43.891 2.431 0.798 0.502 0.894 0.532 CB 1.636 76 residues pruned to eliminate duplicates Z: 18 51.295 2.434 0.866 0.935 1.000 0.824 CA 1.909 18 residues pruned to eliminate duplicates Z: 51 63.008 2.371 0.770 0.708 0.960 0.700 CB 1.830 51 residues pruned to eliminate duplicates Z: 110 82.038 2.430 0.791 0.575 0.917 0.679 CB 1.831 112 residues pruned to eliminate duplicates Z: 12 24.455 1.939 0.832 0.846 1.000 0.909 CA 1.543 12 residues pruned to eliminate duplicates Z: 18 56.037 2.519 0.916 0.937 1.000 0.882 CB 1.960 18 residues pruned to eliminate duplicates Z: 17 13.453 1.967 0.610 0.442 0.875 0.375 CB 1.288 Z: 19 31.009 2.271 0.512 0.778 0.944 0.778 CB 1.763 19 residues pruned to eliminate duplicates Z: 19 47.374 2.331 0.846 0.941 1.000 0.889 CB 1.801 19 residues pruned to eliminate duplicates Z: 14 28.238 2.139 0.806 0.929 0.923 0.769 CB 1.537 Z: 13 48.605 2.428 1.109 0.942 1.000 0.833 CA 1.900 13 residues pruned to eliminate duplicates Z: 18 28.874 2.058 0.567 0.915 1.000 0.941 CB 1.535 32 residues pruned to eliminate duplicates Z: 26 33.903 2.361 0.716 0.573 0.880 0.680 CB 1.773 Z: 13 31.335 2.408 0.538 0.908 1.000 0.917 CB 1.735 13 residues pruned to eliminate duplicates Z: 13 21.354 2.166 0.386 0.841 1.000 0.917 CA 1.533 13 residues pruned to eliminate duplicates Z: 29 38.982 2.311 0.806 0.623 0.893 0.643 CB 1.761 17 residues pruned to eliminate duplicates Z: 11 24.887 2.226 0.973 0.530 1.000 0.700 CA 1.739 7 residues pruned to eliminate duplicates Z: 40 27.883 2.268 0.556 0.397 0.846 0.513 CB 1.665 36 residues pruned to eliminate duplicates Z: 14 6.949 2.060 0.483 0.322 0.615 0.462 CB 1.247 6 residues pruned to eliminate duplicates Z: 17 28.303 2.176 0.438 0.936 1.000 0.938 CB 1.574 17 residues pruned to eliminate duplicates Z: 18 60.731 2.493 1.103 0.960 1.000 0.882 CA 1.924 18 residues pruned to eliminate duplicates Z: 9 8.609 2.195 0.454 0.292 0.750 0.500 CB 1.605 9 residues pruned to eliminate duplicates Z: 15 34.235 2.387 0.732 0.888 0.929 0.714 CB 1.717 15 residues pruned to eliminate duplicates Z: 36 46.526 2.486 0.983 0.488 0.829 0.543 CB 1.948 34 residues pruned to eliminate duplicates Z: 18 47.770 2.324 0.982 0.932 1.000 0.765 CB 1.756 18 residues pruned to eliminate duplicates Z: 10 16.599 2.137 0.280 0.876 1.000 1.000 CB 1.470 10 residues pruned to eliminate duplicates Z: 6 4.115 1.704 0.828 0.299 0.600 0.400 C 1.232 6 residues pruned to eliminate duplicates Z: 13 30.337 2.256 0.592 0.863 1.000 0.750 C 1.789 13 residues pruned to eliminate duplicates Z: 17 29.506 2.121 0.676 0.796 1.000 0.875 CB 1.602 17 residues pruned to eliminate duplicates Z: 16 29.669 2.193 0.503 0.891 1.000 0.933 CB 1.671 16 residues pruned to eliminate duplicates Z: 12 22.427 1.902 0.700 0.916 1.000 0.909 CA 1.477 12 residues pruned to eliminate duplicates Z: 13 32.368 2.421 0.457 0.924 1.000 0.917 CA 1.860 13 residues pruned to eliminate duplicates Z: 16 28.875 2.255 0.541 0.857 0.933 0.933 CB 1.694 16 residues pruned to eliminate duplicates Z: 51 69.525 2.350 0.896 0.723 0.960 0.720 CB 1.880 51 residues pruned to eliminate duplicates Z: 13 11.458 2.145 0.568 0.449 0.750 0.500 CB 1.381 13 residues pruned to eliminate duplicates Z: 51 65.101 2.335 0.864 0.704 0.940 0.700 CB 1.869 51 residues pruned to eliminate duplicates Z: 16 18.249 2.180 0.796 0.369 0.800 0.400 CB 1.731 16 residues pruned to eliminate duplicates Z: 12 18.755 2.137 0.808 0.559 0.909 0.727 CB 1.521 12 residues pruned to eliminate duplicates Z: 18 33.430 2.081 0.761 0.939 1.000 0.882 CB 1.538 18 residues pruned to eliminate duplicates Z: 15 27.152 2.083 0.604 0.866 1.000 0.857 CA 1.591 15 residues pruned to eliminate duplicates Z: 39 42.754 2.419 0.826 0.512 0.868 0.605 CB 1.788 39 residues pruned to eliminate duplicates Z: 41 37.001 2.473 0.808 0.415 0.850 0.575 CB 1.682 41 residues pruned to eliminate duplicates Z: 39 45.991 2.235 0.902 0.609 0.921 0.658 CB 1.718 39 residues pruned to eliminate duplicates Z: 18 36.736 2.212 0.773 0.833 1.000 0.882 CA 1.704 18 residues pruned to eliminate duplicates Z: 17 33.727 2.192 0.799 0.940 1.000 1.000 CB 1.485 17 residues pruned to eliminate duplicates Z: 56 76.738 2.481 0.881 0.679 0.982 0.727 CB 1.916 56 residues pruned to eliminate duplicates Z: 51 54.445 2.300 0.720 0.678 0.940 0.700 CB 1.759 51 residues pruned to eliminate duplicates Z: 15 42.575 2.422 0.743 0.905 1.000 0.929 CA 1.919 15 residues pruned to eliminate duplicates Z: 8 9.457 1.974 0.861 0.345 0.714 0.429 CB 1.612 8 residues pruned to eliminate duplicates Z: 33 33.191 2.325 0.685 0.463 0.906 0.594 CB 1.716 33 residues pruned to eliminate duplicates Z: 18 36.670 2.193 0.819 0.820 1.000 0.824 CA 1.688 18 residues pruned to eliminate duplicates Z: 30 50.015 2.359 0.824 0.648 0.966 0.793 CB 1.947 30 residues pruned to eliminate duplicates Z: 38 34.856 2.234 0.787 0.462 0.919 0.622 CB 1.625 38 residues pruned to eliminate duplicates Z: 17 31.477 2.207 0.599 0.945 1.000 1.000 CB 1.544 17 residues pruned to eliminate duplicates Z: 41 50.223 2.473 0.814 0.521 0.900 0.650 CB 1.927 41 residues pruned to eliminate duplicates Z: 11 15.361 2.284 1.277 0.520 0.800 0.400 CB 1.144 9 residues pruned to eliminate duplicates Z: 18 27.040 2.199 0.566 0.789 0.882 0.765 CA 1.675 18 residues pruned to eliminate duplicates Z: 17 33.642 2.167 0.796 0.943 1.000 0.812 CB 1.498 17 residues pruned to eliminate duplicates Z: 19 16.874 2.058 0.776 0.414 0.944 0.444 CB 1.261 19 residues pruned to eliminate duplicates Z: 18 29.632 2.123 0.533 0.845 1.000 0.824 CB 1.642 18 residues pruned to eliminate duplicates Z: 18 28.910 2.179 0.434 0.832 1.000 0.824 CA 1.684 18 residues pruned to eliminate duplicates Z: 10 9.836 1.992 0.976 0.351 0.778 0.444 CB 1.259 6 residues pruned to eliminate duplicates Z: 19 15.095 2.142 0.523 0.268 0.889 0.389 CB 1.598 19 residues pruned to eliminate duplicates Z: 22 32.184 2.239 0.839 0.551 0.905 0.714 CB 1.792 22 residues pruned to eliminate duplicates Z: 14 36.734 2.353 0.692 0.899 1.000 0.923 CA 1.829 14 residues pruned to eliminate duplicates Z: 30 25.288 2.169 0.561 0.410 0.931 0.517 CB 1.636 30 residues pruned to eliminate duplicates Z: 29 46.959 2.501 1.112 0.545 0.821 0.607 CB 1.958 28 residues pruned to eliminate duplicates Z: 18 31.936 2.180 0.649 0.803 1.000 0.882 CA 1.653 18 residues pruned to eliminate duplicates Z: 12 25.289 1.935 0.861 0.897 1.000 0.909 C 1.516 12 residues pruned to eliminate duplicates Z: 16 35.890 2.121 1.093 0.930 0.933 0.800 CB 1.564 16 residues pruned to eliminate duplicates Z: 27 28.574 2.032 0.546 0.656 0.962 0.808 CB 1.605 27 residues pruned to eliminate duplicates Z: 38 48.664 2.584 0.989 0.531 0.811 0.595 CB 1.863 39 residues pruned to eliminate duplicates Z: 40 23.866 2.177 0.643 0.335 0.821 0.487 CB 1.559 40 residues pruned to eliminate duplicates Z: 31 24.886 2.133 0.644 0.419 0.867 0.467 CB 1.626 31 residues pruned to eliminate duplicates Z: 13 22.441 2.105 0.521 0.896 0.917 0.833 CB 1.582 13 residues pruned to eliminate duplicates Z: 13 22.396 1.869 1.228 0.587 1.000 0.917 C 1.428 13 residues pruned to eliminate duplicates Z: 31 50.246 2.313 0.896 0.645 1.000 0.800 CA 1.827 31 residues pruned to eliminate duplicates Z: 18 31.199 2.181 0.618 0.851 0.941 0.882 CA 1.687 18 residues pruned to eliminate duplicates Z: 19 38.400 2.322 0.616 0.897 1.000 0.667 CA 1.727 19 residues pruned to eliminate duplicates Z: 18 33.164 2.062 0.786 0.916 1.000 0.824 CB 1.542 18 residues pruned to eliminate duplicates Z: 15 25.199 1.867 0.681 0.929 1.000 0.786 CB 1.501 15 residues pruned to eliminate duplicates Z: 15 24.056 2.065 0.510 0.856 0.929 0.857 CB 1.637 15 residues pruned to eliminate duplicates Z: 19 32.369 2.245 0.675 0.810 0.889 0.778 CB 1.743 19 residues pruned to eliminate duplicates Z: 50 64.436 2.375 0.788 0.726 0.959 0.796 CB 1.844 50 residues pruned to eliminate duplicates Z: 7 12.083 2.174 0.754 0.593 1.000 0.667 CB 1.184 7 residues pruned to eliminate duplicates Z: 17 32.353 2.202 0.659 0.943 1.000 0.938 CB 1.535 17 residues pruned to eliminate duplicates Z: 11 22.957 2.078 0.943 0.869 1.000 0.800 CA 1.314 11 residues pruned to eliminate duplicates Z: 12 15.152 2.470 0.640 0.372 0.727 0.545 CB 1.779 12 residues pruned to eliminate duplicates Z: 7 6.103 1.732 0.102 0.599 0.833 0.667 CA 1.425 7 residues pruned to eliminate duplicates Z: 17 10.884 2.039 0.564 0.257 0.750 0.250 CA 1.503 17 residues pruned to eliminate duplicates Z: 18 29.207 2.061 0.641 0.922 1.000 0.824 CB 1.472 18 residues pruned to eliminate duplicates Z: 17 29.374 2.200 0.701 0.830 0.875 0.750 CB 1.686 17 residues pruned to eliminate duplicates Z: 18 29.581 2.134 0.539 0.835 1.000 0.882 CA 1.637 18 residues pruned to eliminate duplicates Z: 14 25.497 2.142 0.534 0.925 1.000 1.000 CB 1.510 14 residues pruned to eliminate duplicates Z: 18 32.046 2.130 0.662 0.931 1.000 0.941 CB 1.534 18 residues pruned to eliminate duplicates Z: 30 45.985 2.402 0.695 0.662 0.897 0.724 CB 2.013 30 residues pruned to eliminate duplicates Z: 18 33.126 2.225 0.621 0.879 1.000 0.941 CB 1.615 18 residues pruned to eliminate duplicates Z: 10 7.329 2.029 0.167 0.322 0.778 0.444 C 1.615 10 residues pruned to eliminate duplicates Z: 15 23.458 2.121 0.542 0.841 1.000 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 18 28.633 2.191 0.540 0.827 0.941 0.824 CA 1.648 18 residues pruned to eliminate duplicates Z: 14 40.574 2.366 0.668 0.913 1.000 0.923 C 2.017 14 residues pruned to eliminate duplicates Z: 13 36.207 2.245 0.883 0.930 1.000 0.583 CB 1.729 13 residues pruned to eliminate duplicates Z: 27 31.619 2.192 0.646 0.639 0.923 0.654 CB 1.634 27 residues pruned to eliminate duplicates Z: 18 29.234 2.144 0.709 0.822 0.882 0.765 CB 1.659 18 residues pruned to eliminate duplicates Z: 9 10.324 1.678 1.158 0.377 0.875 0.500 C 1.314 9 residues pruned to eliminate duplicates Z: 84 68.725 2.394 0.830 0.596 0.880 0.723 CB 1.786 84 residues pruned to eliminate duplicates Z: 15 37.441 2.337 0.792 0.875 0.929 0.857 CB 1.871 15 residues pruned to eliminate duplicates Z: 17 57.722 2.511 1.047 0.950 1.000 0.875 CA 1.936 17 residues pruned to eliminate duplicates Z: 13 31.655 2.242 0.933 0.899 0.917 0.667 CB 1.644 13 residues pruned to eliminate duplicates Z: 13 36.290 2.388 0.700 0.915 1.000 0.917 CB 1.824 13 residues pruned to eliminate duplicates Z: 6 9.887 1.685 0.898 0.755 1.000 0.400 CA 1.102 6 residues pruned to eliminate duplicates Z: 16 34.256 2.165 0.782 0.933 1.000 0.933 CB 1.600 16 residues pruned to eliminate duplicates Z: 54 71.374 2.505 0.814 0.664 0.981 0.717 CB 1.889 54 residues pruned to eliminate duplicates Z: 13 34.996 2.385 0.709 0.929 1.000 0.667 CB 1.735 13 residues pruned to eliminate duplicates Z: 45 62.264 2.449 0.903 0.639 0.955 0.659 CB 1.852 45 residues pruned to eliminate duplicates Z: 12 21.095 1.995 1.013 0.623 0.909 0.727 CB 1.552 12 residues pruned to eliminate duplicates Z: 10 15.674 2.117 0.706 0.436 0.889 0.667 CB 1.739 10 residues pruned to eliminate duplicates Z: 22 44.914 2.392 0.865 0.705 1.000 0.714 CB 1.823 22 residues pruned to eliminate duplicates Z: 21 34.962 2.178 0.694 0.785 1.000 0.650 CA 1.648 21 residues pruned to eliminate duplicates Z: 26 17.693 2.081 0.476 0.389 0.880 0.520 CB 1.473 26 residues pruned to eliminate duplicates Z: 13 10.437 1.968 0.417 0.474 0.917 0.583 CB 1.211 13 residues pruned to eliminate duplicates Z: 17 37.186 2.149 0.986 0.954 1.000 0.750 CB 1.499 17 residues pruned to eliminate duplicates Z: 13 36.669 2.371 0.691 0.923 1.000 0.667 CA 1.856 13 residues pruned to eliminate duplicates Z: 33 37.782 2.347 0.830 0.523 0.844 0.531 CB 1.801 33 residues pruned to eliminate duplicates Z: 18 31.193 2.124 0.657 0.909 1.000 0.882 CB 1.525 18 residues pruned to eliminate duplicates Z: 16 41.803 2.190 0.969 0.870 1.000 0.800 C 1.827 16 residues pruned to eliminate duplicates Z: 13 39.270 2.511 0.890 0.929 1.000 0.750 CB 1.671 13 residues pruned to eliminate duplicates Z: 10 12.082 1.891 0.867 0.455 0.889 0.667 C 1.344 10 residues pruned to eliminate duplicates Z: 23 26.721 2.158 0.853 0.477 0.864 0.591 CB 1.689 23 residues pruned to eliminate duplicates Z: 17 32.520 2.175 0.634 0.949 1.000 1.000 CB 1.579 17 residues pruned to eliminate duplicates Z: 15 23.082 2.092 0.550 0.864 0.929 0.714 CB 1.502 15 residues pruned to eliminate duplicates Z: 18 28.808 2.122 0.671 0.812 0.941 0.882 CB 1.595 18 residues pruned to eliminate duplicates Z: 15 27.551 1.939 0.939 0.880 1.000 0.714 CB 1.419 15 residues pruned to eliminate duplicates Z: 18 32.039 2.136 0.679 0.854 1.000 0.824 CB 1.601 18 residues pruned to eliminate duplicates Z: 16 22.600 2.277 0.869 0.326 0.867 0.533 C 1.916 16 residues pruned to eliminate duplicates Z: 13 40.267 2.458 0.817 0.933 1.000 0.917 CB 1.816 13 residues pruned to eliminate duplicates Z: 48 44.843 2.294 0.652 0.601 0.936 0.723 CB 1.675 48 residues pruned to eliminate duplicates Z: 27 33.039 2.331 0.784 0.498 0.962 0.692 CB 1.624 27 residues pruned to eliminate duplicates Z: 13 38.325 2.406 0.856 0.920 1.000 0.833 CB 1.745 13 residues pruned to eliminate duplicates Z: 19 18.278 2.323 0.604 0.350 0.833 0.444 CB 1.632 19 residues pruned to eliminate duplicates Z: 17 32.146 2.140 0.737 0.937 1.000 0.875 CB 1.504 17 residues pruned to eliminate duplicates Z: 18 31.419 2.222 0.667 0.877 0.941 0.824 CB 1.587 18 residues pruned to eliminate duplicates Z: 27 40.650 2.402 1.024 0.600 0.808 0.654 CB 1.845 27 residues pruned to eliminate duplicates Z: 16 10.924 2.250 0.394 0.329 0.667 0.333 CB 1.627 16 residues pruned to eliminate duplicates Z: 54 71.218 2.508 0.785 0.700 0.962 0.755 CB 1.892 54 residues pruned to eliminate duplicates Z: 8 11.153 1.905 1.035 0.472 0.857 0.571 CA 1.306 8 residues pruned to eliminate duplicates Z: 15 33.523 2.302 0.618 0.891 1.000 0.857 CB 1.730 15 residues pruned to eliminate duplicates Z: 13 28.684 2.344 0.532 0.890 0.917 0.750 CB 1.809 13 residues pruned to eliminate duplicates Z: 17 33.393 2.162 0.718 0.929 1.000 0.812 CB 1.573 17 residues pruned to eliminate duplicates Z: 6 5.967 1.907 0.592 0.296 0.800 0.400 CB 1.381 6 residues pruned to eliminate duplicates Z: 8 8.075 2.149 0.205 0.289 0.857 0.286 CB 1.742 8 residues pruned to eliminate duplicates Z: 18 33.803 2.115 0.782 0.829 1.000 0.706 CB 1.636 18 residues pruned to eliminate duplicates Z: 21 26.125 2.283 1.002 0.375 0.850 0.550 CB 1.719 21 residues pruned to eliminate duplicates Z: 13 21.074 2.262 0.681 0.459 0.917 0.833 CA 1.820 13 residues pruned to eliminate duplicates Z: 26 59.496 2.499 0.938 0.759 1.000 0.760 CB 1.951 26 residues pruned to eliminate duplicates Z: 14 7.974 1.457 0.463 0.365 0.923 0.615 O 1.300 10 residues pruned to eliminate duplicates Z: 16 39.420 2.253 0.824 0.869 1.000 0.800 CA 1.810 16 residues pruned to eliminate duplicates Z: 17 12.488 2.033 0.387 0.297 0.938 0.562 CB 1.481 17 residues pruned to eliminate duplicates Z: 11 38.070 2.388 0.801 0.916 1.000 0.800 C 1.977 11 residues pruned to eliminate duplicates Z: 48 60.915 2.341 0.887 0.687 0.936 0.766 CB 1.810 48 residues pruned to eliminate duplicates Z: 16 18.483 2.018 0.669 0.472 0.933 0.467 CB 1.562 16 residues pruned to eliminate duplicates Z: 16 36.584 2.362 0.996 0.605 0.933 0.800 CA 1.943 16 residues pruned to eliminate duplicates Z: 14 23.401 2.108 0.557 0.872 0.923 0.846 CB 1.561 14 residues pruned to eliminate duplicates Z: 6 5.744 1.962 0.123 0.526 0.800 0.600 CA 1.421 6 residues pruned to eliminate duplicates Z: 8 12.015 2.380 0.582 0.390 0.857 0.429 CB 1.581 8 residues pruned to eliminate duplicates Z: 15 29.912 2.035 0.882 0.833 1.000 0.714 CB 1.565 15 residues pruned to eliminate duplicates Z: 46 68.239 2.515 0.907 0.655 0.978 0.644 CB 1.878 46 residues pruned to eliminate duplicates Z: 29 19.033 1.971 0.483 0.449 0.821 0.571 CB 1.579 29 residues pruned to eliminate duplicates Z: 8 9.569 2.128 0.728 0.434 0.714 0.429 CB 1.474 8 residues pruned to eliminate duplicates Z: 7 9.052 1.998 0.460 0.481 0.833 0.667 CB 1.550 7 residues pruned to eliminate duplicates Z: 6 5.368 1.952 0.275 0.364 0.800 0.400 CB 1.395 7 residues pruned to eliminate duplicates Z: 17 29.483 2.131 0.619 0.935 1.000 0.812 CB 1.488 17 residues pruned to eliminate duplicates Z: 47 62.778 2.419 1.000 0.611 0.935 0.696 CB 1.841 47 residues pruned to eliminate duplicates Z: 13 42.398 2.472 1.113 0.908 1.000 0.583 CB 1.664 13 residues pruned to eliminate duplicates Z: 61 52.268 2.412 0.753 0.487 0.900 0.600 CB 1.796 61 residues pruned to eliminate duplicates Z: 11 15.653 2.058 0.700 0.553 0.900 0.600 CB 1.492 10 residues pruned to eliminate duplicates Z: 17 23.044 1.998 0.637 0.708 0.938 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 19 16.607 2.370 0.409 0.249 0.833 0.500 CB 1.877 19 residues pruned to eliminate duplicates Z: 32 56.721 2.392 0.989 0.698 0.968 0.677 CB 1.847 33 residues pruned to eliminate duplicates Z: 22 42.911 2.391 0.701 0.726 1.000 0.810 CB 1.878 22 residues pruned to eliminate duplicates Z: 52 59.452 2.308 0.691 0.743 0.980 0.765 CB 1.750 52 residues pruned to eliminate duplicates Z: 19 40.425 2.545 1.076 0.530 0.833 0.667 CB 2.101 19 residues pruned to eliminate duplicates Z: 39 54.067 2.456 0.709 0.664 0.947 0.763 CB 1.895 39 residues pruned to eliminate duplicates Z: 29 26.573 2.158 0.711 0.393 0.893 0.429 CB 1.706 29 residues pruned to eliminate duplicates Z: 17 25.874 2.177 0.555 0.817 0.875 0.812 CB 1.658 17 residues pruned to eliminate duplicates Z: 8 15.714 2.143 0.675 0.422 1.000 0.714 CB 1.795 8 residues pruned to eliminate duplicates Z: 13 24.882 2.685 0.832 0.309 0.833 0.667 CB 2.166 13 residues pruned to eliminate duplicates Z: 78 61.288 2.393 0.814 0.517 0.922 0.597 CB 1.716 78 residues pruned to eliminate duplicates Z: 6 3.438 1.365 0.483 0.600 0.800 0.800 N 0.864 Z: 10 15.220 2.111 0.608 0.565 1.000 0.889 CB 1.404 11 residues pruned to eliminate duplicates Z: 12 39.009 2.605 0.668 0.930 1.000 1.000 CB 1.893 12 residues pruned to eliminate duplicates Z: 14 50.249 2.440 1.339 0.830 0.923 0.615 CA 1.989 14 residues pruned to eliminate duplicates Z: 19 16.002 2.046 0.627 0.452 0.833 0.444 CB 1.428 19 residues pruned to eliminate duplicates Z: 24 26.793 2.077 0.641 0.653 0.957 0.783 CB 1.486 24 residues pruned to eliminate duplicates Z: 13 10.991 2.216 0.390 0.234 0.833 0.500 CB 1.685 13 residues pruned to eliminate duplicates Z: 7 5.833 1.530 0.612 0.573 0.833 0.500 CA 1.080 7 residues pruned to eliminate duplicates Z: 23 22.547 1.879 0.709 0.702 0.909 0.500 CB 1.370 23 residues pruned to eliminate duplicates Z: 14 17.184 1.876 0.457 0.883 1.000 0.769 CB 1.261 14 residues pruned to eliminate duplicates Z: 35 49.506 2.417 0.879 0.671 0.912 0.706 CB 1.751 35 residues pruned to eliminate duplicates Z: 27 45.859 2.334 0.679 0.783 0.962 0.808 CA 1.860 27 residues pruned to eliminate duplicates Z: 6 9.776 1.883 0.424 0.831 1.000 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 54 73.297 2.473 0.848 0.703 0.962 0.755 CB 1.903 54 residues pruned to eliminate duplicates Z: 36 56.522 2.378 0.750 0.744 1.000 0.857 CB 1.845 36 residues pruned to eliminate duplicates Z: 14 11.682 2.107 0.575 0.324 0.769 0.385 CB 1.541 14 residues pruned to eliminate duplicates Z: 39 48.425 2.364 1.027 0.546 0.895 0.711 CB 1.752 39 residues pruned to eliminate duplicates Z: 52 74.806 2.513 0.775 0.754 0.961 0.804 CB 1.948 52 residues pruned to eliminate duplicates Z: 20 42.381 2.420 1.030 0.614 0.947 0.632 CB 1.875 20 residues pruned to eliminate duplicates Z: 13 25.420 2.254 0.585 0.847 0.833 0.583 CA 1.831 13 residues pruned to eliminate duplicates Z: 9 4.196 1.933 0.294 0.108 0.625 0.500 CB 1.561 9 residues pruned to eliminate duplicates Z: 11 3.661 1.400 0.739 0.198 0.800 0.200 CB 0.852 Z: 30 49.923 2.328 0.963 0.630 0.931 0.759 CA 1.928 30 residues pruned to eliminate duplicates Z: 10 19.563 2.058 0.567 0.699 1.000 0.667 C 1.686 10 residues pruned to eliminate duplicates Z: 12 10.522 1.892 0.606 0.487 0.818 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 11 31.276 2.062 1.111 0.933 1.000 0.300 CA 1.585 11 residues pruned to eliminate duplicates Z: 30 17.720 2.156 0.536 0.350 0.759 0.448 CB 1.540 30 residues pruned to eliminate duplicates Z: 18 31.185 2.028 0.882 0.892 0.941 0.765 CB 1.512 18 residues pruned to eliminate duplicates Z: 14 38.722 2.465 0.945 0.929 1.000 0.846 CB 1.567 14 residues pruned to eliminate duplicates Z: 6 3.892 1.373 0.136 0.784 1.000 0.800 CB 0.869 Z: 27 44.418 2.281 1.102 0.537 0.962 0.692 CB 1.821 27 residues pruned to eliminate duplicates Z: 19 29.396 2.051 0.509 0.843 1.000 1.000 CB 1.666 19 residues pruned to eliminate duplicates Z: 55 65.798 2.456 0.736 0.705 0.963 0.796 CB 1.810 55 residues pruned to eliminate duplicates Z: 14 58.962 2.398 1.609 0.929 1.000 0.923 CA 1.828 14 residues pruned to eliminate duplicates Z: 19 32.714 2.096 0.605 0.827 1.000 0.944 CB 1.728 19 residues pruned to eliminate duplicates Z: 22 26.812 2.322 0.890 0.394 0.857 0.619 CB 1.739 40 residues pruned to eliminate duplicates Z: 11 10.582 2.172 0.429 0.139 1.000 0.800 CB 1.689 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 33.118 2.265 0.913 0.525 0.853 0.618 CB 1.499 35 residues pruned to eliminate duplicates Z: 13 16.101 2.338 1.134 0.412 0.750 0.417 CB 1.363 Z: 6 6.940 1.803 1.355 0.347 0.800 0.800 C 1.079 6 residues pruned to eliminate duplicates Z: 8 11.885 2.256 1.582 0.458 0.714 0.571 CB 1.126 8 residues pruned to eliminate duplicates Z: 52 62.799 2.344 0.786 0.704 0.961 0.686 CB 1.816 52 residues pruned to eliminate duplicates Z: 54 63.523 2.367 0.787 0.678 0.943 0.660 CB 1.856 54 residues pruned to eliminate duplicates Z: 18 33.325 2.207 0.878 0.807 0.882 0.588 CA 1.691 17 residues pruned to eliminate duplicates Z: 18 33.338 2.175 0.797 0.790 0.941 0.706 CA 1.704 18 residues pruned to eliminate duplicates Z: 23 35.215 2.097 0.898 0.673 0.955 0.682 CA 1.684 23 residues pruned to eliminate duplicates Z: 51 59.337 2.349 0.765 0.689 0.900 0.720 CB 1.890 51 residues pruned to eliminate duplicates Z: 54 61.102 2.311 0.799 0.682 0.943 0.717 CB 1.810 54 residues pruned to eliminate duplicates Z: 51 66.061 2.369 0.810 0.698 0.980 0.780 CB 1.857 51 residues pruned to eliminate duplicates Z: 51 65.115 2.375 0.761 0.700 0.960 0.700 CB 1.911 51 residues pruned to eliminate duplicates Z: 51 60.591 2.369 0.691 0.727 0.920 0.760 CB 1.895 51 residues pruned to eliminate duplicates Z: 51 63.746 2.347 0.790 0.700 0.980 0.720 CB 1.825 51 residues pruned to eliminate duplicates Z: 54 63.476 2.366 0.825 0.688 0.943 0.736 CB 1.801 55 residues pruned to eliminate duplicates Z: 7 6.299 1.610 0.688 0.639 0.833 0.333 CA 0.997 7 residues pruned to eliminate duplicates Z: 51 68.268 2.391 0.797 0.701 0.980 0.740 CB 1.909 50 residues pruned to eliminate duplicates Z: 8 6.554 1.909 0.299 0.472 1.000 0.429 CA 1.028 8 residues pruned to eliminate duplicates Z: 53 55.467 2.338 0.696 0.681 0.904 0.712 CB 1.817 53 residues pruned to eliminate duplicates Z: 51 63.925 2.375 0.751 0.718 0.960 0.760 CB 1.861 51 residues pruned to eliminate duplicates Z: 51 63.573 2.383 0.741 0.719 0.940 0.800 CB 1.891 51 residues pruned to eliminate duplicates Z: 60 58.191 2.295 0.751 0.655 0.915 0.695 CB 1.783 60 residues pruned to eliminate duplicates Z: 51 65.558 2.370 0.795 0.709 0.960 0.820 CB 1.877 51 residues pruned to eliminate duplicates Z: 36 48.300 2.357 0.669 0.665 0.943 0.743 CB 1.889 36 residues pruned to eliminate duplicates Z: 52 60.937 2.327 0.687 0.720 0.980 0.784 CB 1.818 52 residues pruned to eliminate duplicates Z: 51 63.214 2.364 0.796 0.712 0.940 0.820 CB 1.849 51 residues pruned to eliminate duplicates Z: 52 58.215 2.283 0.796 0.682 0.961 0.686 CB 1.751 52 residues pruned to eliminate duplicates Z: 51 67.459 2.375 0.837 0.720 0.960 0.740 CB 1.867 51 residues pruned to eliminate duplicates Z: 50 63.765 2.374 0.784 0.707 0.959 0.714 CB 1.858 50 residues pruned to eliminate duplicates Z: 54 54.801 2.318 0.718 0.667 0.906 0.736 CB 1.789 54 residues pruned to eliminate duplicates Z: 52 62.024 2.319 0.773 0.709 0.961 0.686 CB 1.819 52 residues pruned to eliminate duplicates Z: 35 52.275 2.357 0.832 0.676 0.941 0.735 CB 1.877 35 residues pruned to eliminate duplicates Z: 51 67.649 2.383 0.817 0.720 0.960 0.760 CB 1.887 51 residues pruned to eliminate duplicates Z: 54 63.282 2.294 0.832 0.699 0.943 0.698 CB 1.828 54 residues pruned to eliminate duplicates Z: 53 63.532 2.296 0.794 0.718 0.981 0.788 CB 1.790 53 residues pruned to eliminate duplicates Z: 50 62.158 2.366 0.800 0.704 0.939 0.755 CB 1.846 50 residues pruned to eliminate duplicates Z: 50 62.430 2.373 0.778 0.712 0.959 0.796 CB 1.819 50 residues pruned to eliminate duplicates Z: 53 67.588 2.386 0.845 0.702 0.962 0.712 CB 1.842 53 residues pruned to eliminate duplicates Z: 14 26.054 2.089 0.644 0.768 1.000 0.923 C 1.660 14 residues pruned to eliminate duplicates Z: 51 65.945 2.380 0.811 0.714 0.960 0.720 CB 1.857 51 residues pruned to eliminate duplicates Z: 17 27.481 2.276 0.568 0.690 0.875 0.750 CA 1.848 17 residues pruned to eliminate duplicates Z: 50 67.908 2.384 0.892 0.718 0.939 0.776 CB 1.881 50 residues pruned to eliminate duplicates Z: 54 66.526 2.343 0.959 0.679 0.943 0.698 CB 1.790 54 residues pruned to eliminate duplicates Z: 53 70.833 2.361 0.985 0.688 0.962 0.769 CB 1.834 51 residues pruned to eliminate duplicates Z: 48 60.789 2.358 0.936 0.667 0.915 0.787 CB 1.820 48 residues pruned to eliminate duplicates Z: 50 61.718 2.323 0.957 0.647 0.939 0.592 CB 1.801 50 residues pruned to eliminate duplicates Z: 78 76.817 2.423 0.914 0.627 0.896 0.675 CB 1.870 82 residues pruned to eliminate duplicates Z: 6 6.270 1.899 0.216 0.447 1.000 0.800 CA 1.282 6 residues pruned to eliminate duplicates Z: 13 13.151 2.094 0.972 0.510 0.750 0.583 CB 1.213 13 residues pruned to eliminate duplicates Z: 31 46.391 2.510 0.981 0.542 0.833 0.633 CB 1.961 31 residues pruned to eliminate duplicates Z: 39 48.013 2.292 0.923 0.593 0.921 0.711 CB 1.755 39 residues pruned to eliminate duplicates Z: 49 51.304 2.534 0.880 0.472 0.854 0.562 CB 1.871 49 residues pruned to eliminate duplicates Z: 33 39.519 2.359 0.888 0.526 0.844 0.531 CB 1.812 33 residues pruned to eliminate duplicates Z: 32 33.832 2.396 0.888 0.438 0.806 0.645 CB 1.776 32 residues pruned to eliminate duplicates Z: 30 38.644 2.474 0.992 0.517 0.828 0.655 CB 1.730 30 residues pruned to eliminate duplicates Z: 21 35.960 2.537 0.739 0.612 0.800 0.700 CB 2.049 21 residues pruned to eliminate duplicates Z: 21 33.655 2.474 0.650 0.569 0.900 0.700 CB 1.916 21 residues pruned to eliminate duplicates Z: 21 45.274 2.628 0.841 0.613 0.900 0.650 C 2.088 21 residues pruned to eliminate duplicates Z: 21 36.610 2.489 0.884 0.558 0.850 0.650 CB 1.942 21 residues pruned to eliminate duplicates Z: 20 44.806 2.685 0.714 0.603 0.895 0.684 CB 2.263 20 residues pruned to eliminate duplicates Z: 20 34.812 2.636 0.713 0.545 0.789 0.579 C 2.144 20 residues pruned to eliminate duplicates Z: 19 46.236 2.573 1.011 0.617 0.944 0.833 C 1.996 19 residues pruned to eliminate duplicates Z: 28 45.796 2.572 0.914 0.522 0.852 0.593 CB 2.057 28 residues pruned to eliminate duplicates Z: 20 46.366 2.648 0.967 0.616 0.842 0.632 CB 2.174 20 residues pruned to eliminate duplicates Z: 27 52.139 2.665 1.070 0.540 0.846 0.615 CB 2.107 27 residues pruned to eliminate duplicates Z: 22 36.342 2.495 0.942 0.533 0.857 0.476 CB 1.848 22 residues pruned to eliminate duplicates Z: 19 56.426 2.520 1.200 0.682 0.944 0.611 C 2.151 19 residues pruned to eliminate duplicates Z: 33 40.468 2.370 0.892 0.502 0.844 0.562 CB 1.888 33 residues pruned to eliminate duplicates Z: 20 43.624 2.654 0.979 0.573 0.842 0.579 CB 2.108 20 residues pruned to eliminate duplicates Z: 16 10.117 2.177 0.227 0.365 0.867 0.400 CB 1.304 16 residues pruned to eliminate duplicates Z: 48 52.611 2.532 0.911 0.458 0.851 0.553 CB 1.945 48 residues pruned to eliminate duplicates Z: 30 47.407 2.577 0.826 0.576 0.897 0.690 CB 1.940 30 residues pruned to eliminate duplicates Z: 62 51.269 2.463 0.757 0.451 0.869 0.492 CB 1.836 62 residues pruned to eliminate duplicates Z: 72 46.552 2.288 0.781 0.459 0.845 0.493 CB 1.673 72 residues pruned to eliminate duplicates Z: 13 15.389 2.540 0.615 0.341 0.750 0.500 CB 1.718 13 residues pruned to eliminate duplicates Z: 69 53.694 2.511 0.879 0.449 0.794 0.515 CB 1.832 69 residues pruned to eliminate duplicates Z: 40 46.192 2.521 0.780 0.460 0.872 0.590 CB 1.970 40 residues pruned to eliminate duplicates Z: 61 57.210 2.524 0.775 0.495 0.867 0.600 CB 1.912 61 residues pruned to eliminate duplicates Z: 33 42.952 2.592 0.776 0.510 0.844 0.500 CB 1.936 33 residues pruned to eliminate duplicates Z: 36 47.882 2.492 0.787 0.552 0.886 0.514 CB 1.952 36 residues pruned to eliminate duplicates Z: 33 41.351 2.577 0.748 0.522 0.812 0.656 CB 1.954 33 residues pruned to eliminate duplicates Z: 13 14.865 2.026 0.308 0.513 0.917 0.667 CB 1.744 13 residues pruned to eliminate duplicates Z: 60 52.461 2.464 0.764 0.495 0.864 0.576 CB 1.827 60 residues pruned to eliminate duplicates Z: 92 66.742 2.436 0.723 0.523 0.912 0.626 CB 1.786 92 residues pruned to eliminate duplicates Z: 9 8.206 2.043 0.728 0.263 0.625 0.500 O 1.724 9 residues pruned to eliminate duplicates Z: 39 40.075 2.418 0.812 0.451 0.842 0.553 CB 1.852 39 residues pruned to eliminate duplicates Z: 35 28.330 2.266 0.645 0.402 0.824 0.500 CB 1.756 35 residues pruned to eliminate duplicates Z: 85 64.738 2.438 0.790 0.501 0.893 0.655 CB 1.812 85 residues pruned to eliminate duplicates Z: 18 19.476 2.248 0.847 0.404 0.765 0.412 CB 1.647 18 residues pruned to eliminate duplicates Z: 51 51.780 2.300 0.830 0.574 0.900 0.680 CB 1.800 51 residues pruned to eliminate duplicates Z: 59 45.629 2.482 0.682 0.440 0.845 0.569 CB 1.807 59 residues pruned to eliminate duplicates Z: 29 28.561 2.278 0.817 0.412 0.857 0.464 CB 1.669 29 residues pruned to eliminate duplicates Z: 62 49.005 2.402 0.630 0.517 0.885 0.656 CB 1.779 62 residues pruned to eliminate duplicates Z: 26 33.407 2.469 0.773 0.473 0.920 0.640 CB 1.705 26 residues pruned to eliminate duplicates Z: 25 36.557 2.471 0.866 0.506 0.917 0.542 CB 1.756 25 residues pruned to eliminate duplicates Z: 53 43.069 2.424 0.797 0.440 0.865 0.519 CB 1.686 53 residues pruned to eliminate duplicates Z: 28 33.264 2.378 0.890 0.466 0.852 0.556 CB 1.730 28 residues pruned to eliminate duplicates Z: 24 40.220 2.491 0.989 0.536 0.957 0.609 CB 1.708 24 residues pruned to eliminate duplicates Z: 59 60.081 2.522 0.765 0.502 0.931 0.621 CB 1.900 59 residues pruned to eliminate duplicates Z: 90 68.419 2.433 0.828 0.521 0.899 0.607 CB 1.777 90 residues pruned to eliminate duplicates Z: 61 54.965 2.543 0.741 0.447 0.900 0.567 CB 1.881 61 residues pruned to eliminate duplicates Z: 25 36.431 2.432 0.950 0.521 0.917 0.625 CB 1.676 25 residues pruned to eliminate duplicates Z: 31 26.750 2.358 0.662 0.409 0.833 0.533 CB 1.645 31 residues pruned to eliminate duplicates Z: 28 38.052 2.328 0.918 0.502 0.926 0.519 CB 1.768 28 residues pruned to eliminate duplicates Z: 12 10.680 2.236 0.849 0.233 0.727 0.273 CB 1.461 12 residues pruned to eliminate duplicates Z: 25 36.297 2.394 1.007 0.520 0.917 0.667 CB 1.649 25 residues pruned to eliminate duplicates Z: 50 44.458 2.303 0.749 0.559 0.918 0.694 CB 1.621 50 residues pruned to eliminate duplicates Z: 13 19.517 2.396 0.792 0.374 0.833 0.500 CB 1.802 13 residues pruned to eliminate duplicates Z: 11 6.720 2.118 0.819 0.251 0.700 0.400 CB 1.049 11 residues pruned to eliminate duplicates Z: 31 36.277 2.444 0.747 0.456 0.867 0.533 CB 1.872 31 residues pruned to eliminate duplicates Z: 30 28.391 2.020 0.693 0.575 0.931 0.862 CB 1.541 30 residues pruned to eliminate duplicates Z: 27 29.703 2.041 0.820 0.625 0.923 0.731 CB 1.511 27 residues pruned to eliminate duplicates Z: 10 5.209 1.602 0.335 0.374 0.778 0.444 C 1.195 10 residues pruned to eliminate duplicates Z: 10 3.373 1.377 0.256 0.479 0.889 0.556 C 0.747 10 residues pruned to eliminate duplicates Z: 29 25.610 1.981 0.632 0.592 0.929 0.821 CB 1.476 29 residues pruned to eliminate duplicates Z: 24 33.153 2.125 0.793 0.659 1.000 0.783 CB 1.565 24 residues pruned to eliminate duplicates Z: 24 31.521 2.142 0.658 0.673 0.957 0.783 CB 1.649 24 residues pruned to eliminate duplicates Z: 51 42.208 2.242 0.843 0.490 0.880 0.620 CB 1.659 51 residues pruned to eliminate duplicates Z: 24 36.122 2.186 0.729 0.651 1.000 0.826 CB 1.731 24 residues pruned to eliminate duplicates Z: 38 46.011 2.357 0.893 0.612 0.919 0.676 CB 1.659 38 residues pruned to eliminate duplicates Z: 63 68.761 2.487 0.744 0.602 0.968 0.742 CB 1.888 63 residues pruned to eliminate duplicates Z: 62 69.112 2.493 0.723 0.642 0.951 0.721 CB 1.897 62 residues pruned to eliminate duplicates Z: 61 72.854 2.492 0.811 0.628 0.950 0.717 CB 1.945 61 residues pruned to eliminate duplicates Z: 56 69.958 2.513 0.787 0.678 0.927 0.709 CB 1.922 56 residues pruned to eliminate duplicates Z: 58 64.153 2.448 0.724 0.660 0.947 0.754 CB 1.832 58 residues pruned to eliminate duplicates Z: 56 61.499 2.473 0.720 0.661 0.909 0.691 CB 1.848 56 residues pruned to eliminate duplicates Z: 54 74.159 2.560 0.821 0.708 0.943 0.736 CB 1.919 54 residues pruned to eliminate duplicates Z: 54 74.730 2.538 0.837 0.697 0.962 0.792 CB 1.910 54 residues pruned to eliminate duplicates Z: 53 75.311 2.566 0.821 0.692 0.962 0.769 CB 1.950 53 residues pruned to eliminate duplicates Z: 56 64.940 2.464 0.761 0.679 0.927 0.800 CB 1.846 56 residues pruned to eliminate duplicates Z: 54 71.922 2.533 0.765 0.691 0.962 0.774 CB 1.928 54 residues pruned to eliminate duplicates Z: 55 70.983 2.491 0.840 0.672 0.963 0.741 CB 1.867 55 residues pruned to eliminate duplicates Z: 56 67.022 2.498 0.768 0.665 0.927 0.745 CB 1.893 56 residues pruned to eliminate duplicates Z: 55 67.260 2.498 0.729 0.697 0.926 0.778 CB 1.912 55 residues pruned to eliminate duplicates Z: 56 68.191 2.487 0.728 0.677 0.964 0.691 CB 1.887 56 residues pruned to eliminate duplicates Z: 53 73.055 2.568 0.774 0.700 0.981 0.712 CB 1.889 53 residues pruned to eliminate duplicates Z: 52 72.766 2.579 0.729 0.711 0.961 0.804 CB 1.965 52 residues pruned to eliminate duplicates Z: 55 71.606 2.495 0.794 0.694 0.944 0.722 CB 1.932 55 residues pruned to eliminate duplicates Z: 55 65.582 2.492 0.686 0.687 0.963 0.741 CB 1.857 55 residues pruned to eliminate duplicates Z: 65 60.116 2.438 0.618 0.628 0.938 0.781 CB 1.802 65 residues pruned to eliminate duplicates Z: 63 66.071 2.470 0.737 0.625 0.935 0.790 CB 1.859 63 residues pruned to eliminate duplicates Z: 61 69.123 2.437 0.812 0.654 0.967 0.733 CB 1.812 61 residues pruned to eliminate duplicates Z: 41 60.452 2.570 0.804 0.629 0.925 0.750 CB 1.975 41 residues pruned to eliminate duplicates Z: 64 65.815 2.465 0.736 0.627 0.952 0.714 CB 1.805 64 residues pruned to eliminate duplicates Z: 89 75.437 2.454 0.808 0.573 0.932 0.705 CB 1.813 89 residues pruned to eliminate duplicates Z: 38 45.757 2.415 0.771 0.612 0.865 0.649 CB 1.829 38 residues pruned to eliminate duplicates Z: 59 64.633 2.403 0.756 0.670 0.948 0.724 CB 1.813 59 residues pruned to eliminate duplicates Z: 61 69.963 2.500 0.758 0.636 0.950 0.733 CB 1.904 61 residues pruned to eliminate duplicates Z: 55 71.903 2.523 0.878 0.686 0.926 0.759 CB 1.880 55 residues pruned to eliminate duplicates Z: 32 62.038 2.535 0.934 0.706 0.935 0.742 CB 2.013 32 residues pruned to eliminate duplicates Z: 39 61.526 2.500 0.998 0.677 0.947 0.763 CB 1.791 39 residues pruned to eliminate duplicates Z: 45 60.977 2.402 0.919 0.650 0.955 0.659 CB 1.816 45 residues pruned to eliminate duplicates Z: 54 78.746 2.511 0.870 0.714 0.981 0.755 CB 1.933 54 residues pruned to eliminate duplicates Z: 57 72.193 2.455 0.885 0.670 0.946 0.714 CB 1.882 57 residues pruned to eliminate duplicates Z: 58 63.706 2.454 0.726 0.662 0.930 0.702 CB 1.843 58 residues pruned to eliminate duplicates Z: 89 78.716 2.453 0.878 0.586 0.932 0.682 CB 1.801 89 residues pruned to eliminate duplicates Z: 55 71.778 2.482 0.852 0.681 0.963 0.778 CB 1.870 55 residues pruned to eliminate duplicates Z: 54 76.217 2.527 0.939 0.687 0.943 0.736 CB 1.908 54 residues pruned to eliminate duplicates Z: 64 76.185 2.454 0.925 0.624 0.968 0.730 CB 1.867 64 residues pruned to eliminate duplicates Z: 53 76.699 2.558 0.914 0.706 0.942 0.808 CB 1.911 53 residues pruned to eliminate duplicates Z: 65 68.091 2.437 0.860 0.606 0.922 0.719 CB 1.843 65 residues pruned to eliminate duplicates Z: 54 74.841 2.507 0.996 0.681 0.943 0.736 CB 1.843 54 residues pruned to eliminate duplicates Z: 37 50.364 2.463 0.963 0.634 0.861 0.694 CB 1.778 37 residues pruned to eliminate duplicates Z: 56 74.623 2.468 0.956 0.677 0.945 0.745 CB 1.874 56 residues pruned to eliminate duplicates Z: 57 72.572 2.462 0.883 0.675 0.964 0.714 CB 1.846 57 residues pruned to eliminate duplicates Z: 68 80.493 2.493 0.864 0.683 0.955 0.731 CB 1.873 68 residues pruned to eliminate duplicates Z: 54 78.615 2.541 0.932 0.691 0.962 0.736 CB 1.919 54 residues pruned to eliminate duplicates Z: 54 77.081 2.523 0.875 0.675 0.981 0.717 CB 1.940 54 residues pruned to eliminate duplicates Z: 56 77.028 2.507 0.962 0.685 0.945 0.691 CB 1.885 56 residues pruned to eliminate duplicates Z: 47 71.323 2.475 1.017 0.701 0.935 0.717 CB 1.877 47 residues pruned to eliminate duplicates Z: 55 73.700 2.502 0.961 0.698 0.926 0.759 CB 1.843 55 residues pruned to eliminate duplicates Z: 41 63.675 2.546 1.013 0.606 0.925 0.700 CB 1.920 41 residues pruned to eliminate duplicates Z: 57 73.882 2.440 0.926 0.689 0.929 0.732 CB 1.902 57 residues pruned to eliminate duplicates Z: 36 64.001 2.465 1.058 0.676 0.943 0.829 CB 1.924 36 residues pruned to eliminate duplicates Z: 40 71.900 2.625 1.055 0.607 0.974 0.821 CB 1.980 40 residues pruned to eliminate duplicates Z: 59 69.852 2.436 0.863 0.666 0.948 0.707 CB 1.828 59 residues pruned to eliminate duplicates Z: 80 76.453 2.485 0.800 0.630 0.911 0.696 CB 1.867 80 residues pruned to eliminate duplicates Z: 13 41.510 2.449 0.900 0.784 1.000 0.750 C 2.005 13 residues pruned to eliminate duplicates Z: 18 53.480 2.521 1.099 0.676 1.000 0.706 CB 2.084 18 residues pruned to eliminate duplicates Z: 19 41.933 2.462 0.826 0.646 0.944 0.778 CB 2.032 19 residues pruned to eliminate duplicates Z: 19 47.949 2.491 1.014 0.642 0.944 0.722 CB 2.089 19 residues pruned to eliminate duplicates Z: 17 51.073 2.561 1.159 0.715 0.938 0.750 CB 2.028 17 residues pruned to eliminate duplicates Z: 22 38.353 2.331 1.045 0.575 0.857 0.524 CB 1.905 22 residues pruned to eliminate duplicates Z: 27 33.666 2.342 0.935 0.482 0.846 0.538 CB 1.754 27 residues pruned to eliminate duplicates Z: 56 50.334 2.382 0.751 0.485 0.909 0.582 CB 1.817 56 residues pruned to eliminate duplicates Z: 32 41.233 2.472 0.697 0.523 0.903 0.581 CB 1.909 32 residues pruned to eliminate duplicates Z: 37 38.697 2.387 0.739 0.491 0.833 0.611 CB 1.881 37 residues pruned to eliminate duplicates Z: 30 40.909 2.447 0.689 0.556 0.931 0.621 CB 1.871 30 residues pruned to eliminate duplicates Z: 30 40.011 2.479 0.729 0.533 0.897 0.483 CB 1.872 30 residues pruned to eliminate duplicates Z: 15 9.741 2.293 0.260 0.252 0.857 0.429 CB 1.398 15 residues pruned to eliminate duplicates Z: 13 13.798 2.428 0.345 0.378 0.833 0.500 CB 1.667 13 residues pruned to eliminate duplicates Z: 20 17.510 2.349 0.423 0.292 0.895 0.526 CB 1.696 20 residues pruned to eliminate duplicates Z: 34 38.616 2.367 0.799 0.519 0.879 0.515 CB 1.762 34 residues pruned to eliminate duplicates Z: 13 13.903 2.411 0.325 0.404 0.833 0.500 CB 1.667 13 residues pruned to eliminate duplicates Z: 40 26.619 2.174 0.721 0.363 0.821 0.513 CB 1.609 40 residues pruned to eliminate duplicates Z: 23 15.890 2.265 0.422 0.358 0.818 0.409 CB 1.498 23 residues pruned to eliminate duplicates Z: 14 8.952 2.001 0.521 0.198 0.692 0.385 CB 1.688 14 residues pruned to eliminate duplicates Z: 35 32.990 2.275 0.715 0.447 0.853 0.559 CB 1.795 35 residues pruned to eliminate duplicates Z: 31 41.523 2.451 0.780 0.567 0.900 0.567 CB 1.809 31 residues pruned to eliminate duplicates Z: 15 18.428 2.411 0.537 0.285 0.857 0.571 CB 1.974 15 residues pruned to eliminate duplicates Z: 22 15.226 2.077 0.499 0.355 0.762 0.429 CB 1.639 22 residues pruned to eliminate duplicates Z: 31 29.057 2.234 0.608 0.377 0.933 0.567 CB 1.805 31 residues pruned to eliminate duplicates Z: 39 31.697 2.283 0.643 0.412 0.921 0.526 CB 1.633 39 residues pruned to eliminate duplicates Z: 11 9.709 2.152 0.302 0.362 0.700 0.500 CA 1.816 11 residues pruned to eliminate duplicates Z: 33 28.695 2.344 0.653 0.350 0.938 0.531 CB 1.643 33 residues pruned to eliminate duplicates Z: 32 27.665 2.195 0.820 0.366 0.839 0.484 CB 1.714 32 residues pruned to eliminate duplicates Z: 19 16.993 2.094 0.722 0.387 0.833 0.500 CB 1.503 19 residues pruned to eliminate duplicates Z: 57 50.571 2.375 0.866 0.468 0.875 0.536 CB 1.800 56 residues pruned to eliminate duplicates Z: 7 7.594 1.770 0.193 0.453 1.000 0.333 CA 1.541 7 residues pruned to eliminate duplicates Z: 18 16.056 1.913 0.863 0.425 0.941 0.412 CB 1.256 18 residues pruned to eliminate duplicates Z: 31 24.598 2.132 0.621 0.394 0.867 0.467 CB 1.678 31 residues pruned to eliminate duplicates Z: 18 16.232 1.964 0.894 0.381 0.765 0.353 CB 1.571 18 residues pruned to eliminate duplicates Z: 31 25.639 2.268 0.673 0.338 0.867 0.500 CB 1.699 31 residues pruned to eliminate duplicates Z: 32 25.057 2.303 0.688 0.340 0.774 0.484 CB 1.780 32 residues pruned to eliminate duplicates Z: 20 18.421 2.040 0.873 0.419 0.842 0.474 CB 1.430 20 residues pruned to eliminate duplicates Z: 19 14.745 1.954 0.799 0.428 0.778 0.444 CB 1.369 19 residues pruned to eliminate duplicates Z: 26 21.065 2.147 0.605 0.366 0.840 0.480 CB 1.681 26 residues pruned to eliminate duplicates Z: 26 30.375 2.249 0.894 0.462 0.840 0.520 CB 1.765 26 residues pruned to eliminate duplicates Z: 13 13.915 1.930 0.700 0.436 0.833 0.500 CB 1.570 13 residues pruned to eliminate duplicates Z: 48 49.158 2.301 0.657 0.580 0.936 0.617 CB 1.861 55 residues pruned to eliminate duplicates Z: 20 46.782 2.417 0.680 0.844 1.000 0.895 CA 1.966 20 residues pruned to eliminate duplicates Z: 30 47.348 2.350 0.795 0.660 0.931 0.690 CA 1.929 30 residues pruned to eliminate duplicates Z: 32 50.676 2.267 0.886 0.651 1.000 0.839 CA 1.850 32 residues pruned to eliminate duplicates Z: 20 50.209 2.505 0.885 0.750 0.947 0.842 CB 2.060 20 residues pruned to eliminate duplicates Z: 36 39.640 2.288 0.821 0.493 0.886 0.543 CB 1.828 36 residues pruned to eliminate duplicates Z: 60 50.545 2.308 0.700 0.511 0.898 0.695 CB 1.847 60 residues pruned to eliminate duplicates Z: 53 51.492 2.288 0.773 0.504 0.923 0.615 CB 1.899 53 residues pruned to eliminate duplicates Z: 22 49.365 2.481 0.922 0.696 0.952 0.857 CA 1.984 22 residues pruned to eliminate duplicates Z: 31 48.805 2.359 0.810 0.627 0.933 0.800 CB 1.984 31 residues pruned to eliminate duplicates Z: 46 57.558 2.341 0.860 0.594 0.933 0.689 CB 1.930 46 residues pruned to eliminate duplicates Z: 30 54.980 2.401 0.957 0.645 0.966 0.724 CA 1.966 30 residues pruned to eliminate duplicates Z: 19 54.871 2.439 1.035 0.909 1.000 0.722 CA 1.849 19 residues pruned to eliminate duplicates Z: 29 60.894 2.442 1.042 0.676 0.964 0.786 C 2.035 29 residues pruned to eliminate duplicates Z: 17 60.143 2.478 1.250 0.945 1.000 0.812 CA 1.866 17 residues pruned to eliminate duplicates Z: 30 48.587 2.376 0.925 0.624 0.931 0.724 CA 1.885 30 residues pruned to eliminate duplicates Z: 31 53.490 2.369 0.984 0.629 0.967 0.667 CA 1.904 30 residues pruned to eliminate duplicates Z: 18 57.207 2.517 0.953 0.933 1.000 0.824 CA 1.970 18 residues pruned to eliminate duplicates Z: 29 54.603 2.443 0.814 0.675 0.964 0.786 CA 2.054 30 residues pruned to eliminate duplicates Z: 6 7.489 1.845 0.357 0.458 1.000 0.800 CA 1.397 6 residues pruned to eliminate duplicates Z: 10 17.015 2.196 0.669 0.509 0.889 0.778 CA 1.726 10 residues pruned to eliminate duplicates Z: 29 51.872 2.451 0.849 0.638 0.964 0.714 CA 1.971 29 residues pruned to eliminate duplicates Z: 29 56.098 2.430 0.892 0.680 0.964 0.750 CA 2.027 29 residues pruned to eliminate duplicates Z: 31 54.200 2.350 0.908 0.657 1.000 0.833 CB 1.907 31 residues pruned to eliminate duplicates Z: 10 2.641 1.584 0.715 0.056 0.667 0.444 CB 0.875 2 residues pruned to eliminate duplicates 268 residues left after pruning, divided into chains as follows: A: 8 B: 50 C: 210 CC for partial structure against native data = 32.69 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.404, Connect. = 0.776 for dens.mod. cycle 1 = 0.306, Contrast = 0.463, Connect. = 0.797 for dens.mod. cycle 2 = 0.306, Contrast = 0.566, Connect. = 0.832 for dens.mod. cycle 3 = 0.306, Contrast = 0.574, Connect. = 0.835 for dens.mod. cycle 4 = 0.306, Contrast = 0.589, Connect. = 0.839 for dens.mod. cycle 5 = 0.306, Contrast = 0.596, Connect. = 0.842 for dens.mod. cycle 6 = 0.306, Contrast = 0.604, Connect. = 0.844 for dens.mod. cycle 7 = 0.306, Contrast = 0.609, Connect. = 0.845 for dens.mod. cycle 8 = 0.306, Contrast = 0.614, Connect. = 0.846 for dens.mod. cycle 9 = 0.306, Contrast = 0.617, Connect. = 0.847 for dens.mod. cycle 10 TimeTaking 132.92