++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:50:19 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.ins Phases from ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phi Native data from ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.hkl Listing output to ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.lst Phases output to ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phs Poly-Ala trace output to ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 33222 Reflections read from file ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phi 33222 Reflections read from file ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.hkl 33222 Unique data, highest resolution = 1.833 Angstroms Anisotropic scaling: intensities multiplied by -0.000320h^2 +0.000046k^2 +0.000002l^2 +0.000000kl -0.000314hl +0.000000hk 1040 Reflections with d > 2.033 and 0 in range 2.033 > d > 1.833 added Density sharpening factor set to 1.00 Fourier grid = 64 x 256 x 45 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.651 ** -f missing ?? ** = 0.300, Contrast = 0.298, Connect. = 0.696 for dens.mod. cycle 1 = 0.300, Contrast = 0.375, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.467, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.497, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.516, Connect. = 0.757 for dens.mod. cycle 5 = 0.300, Contrast = 0.529, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.539, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.546, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.551, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.555, Connect. = 0.771 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2205 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 482 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 15.555 2.112 0.447 0.824 1.000 0.714 CA 1.452 B: 9 14.878 1.870 0.640 0.777 1.000 0.750 CB 1.342 8 residues pruned to eliminate duplicates C: 9 11.872 1.843 0.333 0.790 0.875 0.625 C 1.514 10 residues pruned to eliminate duplicates D: 11 24.861 1.938 1.151 0.895 1.000 1.000 CA 1.352 E: 42 24.737 1.910 0.637 0.522 1.000 0.610 CB 1.209 F: 12 9.575 1.871 0.822 0.361 0.909 0.727 CB 1.082 G: 71 35.397 1.980 0.847 0.512 0.914 0.586 CB 1.251 11 residues pruned to eliminate duplicates H: 16 20.129 1.843 0.691 0.921 1.000 0.867 CB 1.174 I: 20 25.650 1.975 0.729 0.900 1.000 0.789 CB 1.231 J: 13 15.003 1.750 0.579 0.918 1.000 0.917 CB 1.105 K: 11 21.734 2.115 0.718 0.933 1.000 0.800 CB 1.319 11 residues pruned to eliminate duplicates L: 6 12.993 1.969 1.386 0.684 1.000 0.800 CB 1.045 M: 11 19.839 2.032 0.751 0.916 1.000 0.800 CB 1.245 11 residues pruned to eliminate duplicates N: 6 10.219 1.979 0.071 0.829 1.000 0.800 CA 1.623 8 residues pruned to eliminate duplicates O: 6 5.964 1.533 0.217 0.864 1.000 0.600 CA 1.049 6 residues pruned to eliminate duplicates P: 6 9.477 1.919 0.821 0.554 0.800 0.600 CB 1.439 6 residues pruned to eliminate duplicates Q: 8 10.312 1.812 0.390 0.886 0.857 0.857 CB 1.303 R: 37 21.345 2.018 0.736 0.495 0.861 0.528 CB 1.185 41 residues pruned to eliminate duplicates S: 8 12.878 2.085 0.261 0.792 1.000 0.714 CB 1.432 6 residues pruned to eliminate duplicates T: 13 19.979 1.967 0.562 0.888 1.000 0.750 CA 1.352 13 residues pruned to eliminate duplicates U: 37 21.031 1.879 0.708 0.398 0.889 0.556 CB 1.369 37 residues pruned to eliminate duplicates V: 14 18.576 1.868 0.767 0.816 1.000 0.615 CB 1.186 14 residues pruned to eliminate duplicates W: 19 21.954 1.738 0.647 0.856 1.000 0.667 CB 1.333 16 residues pruned to eliminate duplicates X: 37 26.321 2.044 0.807 0.535 0.944 0.556 CB 1.215 37 residues pruned to eliminate duplicates Y: 11 20.671 2.096 0.578 0.883 0.900 0.800 CB 1.587 Z: 15 16.509 1.944 0.169 0.934 1.000 0.929 CB 1.354 Z: 26 20.855 1.761 1.044 0.621 0.960 0.720 CB 1.077 Z: 13 25.013 1.982 0.927 0.932 0.917 0.917 CB 1.440 13 residues pruned to eliminate duplicates Z: 8 17.566 1.973 0.711 0.779 1.000 0.571 CA 1.538 8 residues pruned to eliminate duplicates Z: 17 28.332 1.958 0.901 0.915 1.000 0.812 CA 1.345 11 residues pruned to eliminate duplicates Z: 17 24.532 1.966 0.869 0.862 0.875 0.750 CA 1.400 17 residues pruned to eliminate duplicates Z: 31 25.516 1.993 0.644 0.599 0.933 0.600 CB 1.386 17 residues pruned to eliminate duplicates Z: 17 32.839 1.930 1.029 0.919 1.000 0.812 CB 1.477 Z: 18 19.662 1.915 0.461 0.909 0.941 0.588 CB 1.285 Z: 13 21.752 2.039 0.562 0.880 1.000 0.750 CB 1.429 13 residues pruned to eliminate duplicates Z: 12 19.146 2.036 0.749 0.873 0.909 0.909 CB 1.299 12 residues pruned to eliminate duplicates Z: 18 19.781 1.865 0.584 0.919 1.000 0.706 CB 1.144 16 residues pruned to eliminate duplicates Z: 11 18.282 2.054 0.552 0.859 0.900 0.700 CA 1.483 11 residues pruned to eliminate duplicates Z: 17 25.204 1.879 0.776 0.914 0.938 0.812 CB 1.425 17 residues pruned to eliminate duplicates Z: 20 15.579 1.785 0.255 0.884 1.000 0.737 CB 1.152 20 residues pruned to eliminate duplicates Z: 17 26.766 1.946 0.791 0.892 1.000 0.750 CA 1.379 17 residues pruned to eliminate duplicates Z: 7 5.468 1.526 0.634 0.623 0.833 0.500 CB 0.956 Z: 16 21.491 1.813 0.578 0.905 1.000 0.933 CB 1.380 15 residues pruned to eliminate duplicates Z: 13 11.388 1.782 0.564 0.478 0.917 0.583 CB 1.316 13 residues pruned to eliminate duplicates Z: 19 17.203 1.846 0.524 0.907 1.000 0.722 CB 1.025 19 residues pruned to eliminate duplicates Z: 11 26.596 2.042 1.210 0.886 1.000 0.900 CB 1.344 11 residues pruned to eliminate duplicates Z: 15 12.444 1.716 0.324 0.900 1.000 0.714 CB 1.046 Z: 34 29.248 1.909 0.571 0.739 0.970 0.788 CB 1.412 31 residues pruned to eliminate duplicates Z: 10 14.078 1.874 0.817 0.408 1.000 0.889 CA 1.518 10 residues pruned to eliminate duplicates Z: 12 13.559 1.786 0.917 0.850 0.909 0.636 CB 0.973 Z: 27 24.590 2.004 0.500 0.734 0.962 0.731 CA 1.352 19 residues pruned to eliminate duplicates Z: 7 12.290 2.084 0.633 0.868 0.833 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 19 24.553 1.819 0.795 0.856 0.944 0.889 CB 1.383 19 residues pruned to eliminate duplicates Z: 19 31.319 2.048 0.947 0.890 1.000 0.667 CB 1.333 20 residues pruned to eliminate duplicates Z: 18 24.745 1.847 0.605 0.908 1.000 0.882 CB 1.438 18 residues pruned to eliminate duplicates Z: 7 4.842 1.833 0.325 0.712 0.667 0.333 CB 1.007 7 residues pruned to eliminate duplicates Z: 17 16.225 1.875 0.241 0.933 1.000 0.812 CB 1.217 17 residues pruned to eliminate duplicates Z: 21 18.538 1.879 0.792 0.753 0.900 0.750 CB 1.092 24 residues pruned to eliminate duplicates Z: 14 6.909 1.662 0.457 0.461 0.769 0.615 CB 1.071 14 residues pruned to eliminate duplicates Z: 11 21.932 2.017 0.780 0.879 1.000 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 28 24.742 1.935 0.580 0.727 1.000 0.741 CB 1.269 26 residues pruned to eliminate duplicates Z: 8 4.185 1.539 0.342 0.309 0.714 0.429 O 1.326 8 residues pruned to eliminate duplicates Z: 6 12.548 2.157 1.300 0.506 1.000 0.400 CB 1.125 Z: 19 15.571 1.853 0.321 0.895 1.000 0.833 CB 1.076 19 residues pruned to eliminate duplicates Z: 23 9.428 1.714 0.413 0.310 0.955 0.364 CB 1.073 16 residues pruned to eliminate duplicates Z: 14 13.191 1.719 0.463 0.873 0.923 0.923 CA 1.148 14 residues pruned to eliminate duplicates Z: 36 24.842 1.912 0.660 0.530 0.971 0.657 CB 1.322 35 residues pruned to eliminate duplicates Z: 12 19.050 2.112 0.297 0.855 0.909 0.545 CB 1.702 13 residues pruned to eliminate duplicates Z: 18 22.841 1.858 0.607 0.892 1.000 0.765 CB 1.333 18 residues pruned to eliminate duplicates Z: 15 12.969 1.686 0.423 0.884 1.000 0.857 CA 1.043 Z: 12 11.540 1.759 0.638 0.812 0.818 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 13 8.917 1.812 0.212 0.866 0.833 0.667 CB 1.030 13 residues pruned to eliminate duplicates Z: 13 24.727 1.881 1.221 0.932 0.917 0.750 CA 1.302 15 residues pruned to eliminate duplicates Z: 18 25.295 1.864 0.805 0.869 0.941 0.824 CB 1.415 18 residues pruned to eliminate duplicates Z: 36 21.524 1.863 0.530 0.728 0.943 0.543 CB 1.102 30 residues pruned to eliminate duplicates Z: 13 16.250 1.845 0.903 0.810 0.917 0.583 CB 1.113 13 residues pruned to eliminate duplicates Z: 13 21.584 2.006 0.842 0.862 0.917 0.917 CA 1.350 13 residues pruned to eliminate duplicates Z: 18 17.259 1.848 0.311 0.929 1.000 0.824 CA 1.209 18 residues pruned to eliminate duplicates Z: 11 17.299 2.057 0.564 0.921 1.000 0.800 CB 1.197 11 residues pruned to eliminate duplicates Z: 20 16.800 1.850 0.360 0.902 1.000 0.842 CB 1.093 19 residues pruned to eliminate duplicates Z: 17 19.543 1.833 0.359 0.907 1.000 0.938 CA 1.394 17 residues pruned to eliminate duplicates Z: 16 21.719 1.720 0.780 0.916 1.000 0.733 CB 1.294 17 residues pruned to eliminate duplicates Z: 13 15.179 1.936 0.305 0.846 1.000 0.750 CA 1.289 13 residues pruned to eliminate duplicates Z: 12 16.684 1.740 0.855 0.862 1.000 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 17 26.298 2.139 0.695 0.915 1.000 0.812 CB 1.282 17 residues pruned to eliminate duplicates Z: 17 17.276 1.931 0.587 0.512 1.000 0.625 CB 1.393 17 residues pruned to eliminate duplicates Z: 11 23.098 1.887 1.265 0.934 0.900 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 13 15.680 1.934 0.354 0.910 1.000 0.917 CB 1.225 13 residues pruned to eliminate duplicates Z: 17 17.601 1.847 0.926 0.936 0.938 0.500 CB 0.919 17 residues pruned to eliminate duplicates Z: 17 19.128 2.053 0.369 0.916 1.000 0.938 CA 1.201 17 residues pruned to eliminate duplicates Z: 9 16.592 1.835 0.902 0.905 1.000 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 18 24.173 2.056 0.644 0.888 1.000 0.824 CB 1.249 18 residues pruned to eliminate duplicates Z: 13 23.498 1.993 1.077 0.914 1.000 0.333 CB 1.159 13 residues pruned to eliminate duplicates Z: 9 4.642 1.738 0.544 0.377 0.625 0.375 CB 1.116 9 residues pruned to eliminate duplicates Z: 17 21.402 1.922 0.625 0.907 1.000 0.812 CA 1.218 17 residues pruned to eliminate duplicates Z: 17 23.586 1.955 0.577 0.904 0.938 0.812 CB 1.452 17 residues pruned to eliminate duplicates Z: 13 22.853 2.110 0.837 0.828 1.000 0.667 CB 1.281 13 residues pruned to eliminate duplicates Z: 17 27.486 1.977 0.892 0.871 0.938 0.688 CA 1.430 17 residues pruned to eliminate duplicates Z: 72 36.108 1.898 0.682 0.556 0.986 0.563 CB 1.289 88 residues pruned to eliminate duplicates Z: 14 17.892 1.934 0.467 0.921 1.000 1.000 CA 1.230 14 residues pruned to eliminate duplicates Z: 26 23.297 2.029 0.437 0.748 0.960 0.800 CA 1.335 26 residues pruned to eliminate duplicates Z: 12 14.303 1.807 0.556 0.928 1.000 0.727 CB 1.075 12 residues pruned to eliminate duplicates Z: 20 16.741 1.682 0.472 0.851 1.000 0.737 CB 1.149 20 residues pruned to eliminate duplicates Z: 12 28.447 1.930 1.251 0.925 1.000 1.000 CA 1.385 13 residues pruned to eliminate duplicates Z: 13 9.584 1.723 0.014 0.900 1.000 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 13 14.879 1.757 0.544 0.843 1.000 0.833 CB 1.179 13 residues pruned to eliminate duplicates Z: 17 28.460 1.943 0.982 0.899 0.938 0.688 CA 1.409 17 residues pruned to eliminate duplicates Z: 14 8.741 1.589 0.208 0.849 0.923 0.692 CB 1.014 14 residues pruned to eliminate duplicates Z: 17 14.139 1.805 0.348 0.887 0.938 0.562 CB 1.118 16 residues pruned to eliminate duplicates Z: 18 9.416 1.768 0.522 0.367 0.824 0.529 CB 1.189 18 residues pruned to eliminate duplicates Z: 15 15.075 1.723 0.556 0.913 1.000 0.929 CB 1.064 15 residues pruned to eliminate duplicates Z: 13 12.727 1.798 0.243 0.843 1.000 0.583 CA 1.224 13 residues pruned to eliminate duplicates Z: 20 15.400 1.842 0.463 0.787 0.895 0.474 CB 1.139 20 residues pruned to eliminate duplicates Z: 16 13.396 1.838 0.078 0.923 1.000 0.867 CB 1.226 16 residues pruned to eliminate duplicates Z: 17 25.971 1.777 1.315 0.861 0.938 0.688 CB 1.237 18 residues pruned to eliminate duplicates Z: 12 24.830 1.835 1.187 0.925 0.909 0.636 CB 1.440 13 residues pruned to eliminate duplicates Z: 34 19.552 1.821 0.687 0.465 0.939 0.545 CB 1.222 34 residues pruned to eliminate duplicates Z: 21 15.775 1.799 0.841 0.687 0.850 0.600 CB 1.056 21 residues pruned to eliminate duplicates Z: 17 20.049 2.119 0.335 0.891 0.938 0.812 CA 1.359 17 residues pruned to eliminate duplicates Z: 15 16.132 1.890 0.149 0.915 1.000 0.714 CB 1.402 16 residues pruned to eliminate duplicates Z: 12 30.186 2.017 1.197 0.883 1.000 0.818 CB 1.485 12 residues pruned to eliminate duplicates Z: 12 12.771 1.710 0.439 0.917 1.000 0.818 CB 1.104 11 residues pruned to eliminate duplicates Z: 17 25.740 1.927 0.778 0.927 0.938 0.875 CB 1.404 17 residues pruned to eliminate duplicates Z: 14 21.980 1.875 1.081 0.807 0.923 0.923 CA 1.294 14 residues pruned to eliminate duplicates Z: 16 20.137 1.821 0.751 0.932 0.933 0.400 CB 1.220 16 residues pruned to eliminate duplicates Z: 17 18.793 1.899 0.777 0.911 0.938 0.375 CB 1.052 17 residues pruned to eliminate duplicates Z: 17 28.680 1.911 1.074 0.906 0.938 0.688 CB 1.373 17 residues pruned to eliminate duplicates Z: 11 11.542 1.861 0.426 0.816 0.900 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 15 28.582 1.863 1.324 0.928 1.000 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 16 22.301 1.842 0.852 0.927 0.933 0.333 CB 1.267 17 residues pruned to eliminate duplicates Z: 8 9.269 1.766 0.134 0.906 1.000 1.000 CB 1.245 8 residues pruned to eliminate duplicates Z: 17 17.853 1.856 0.780 0.939 0.938 0.500 CB 1.001 17 residues pruned to eliminate duplicates Z: 6 3.639 1.624 1.195 0.478 0.600 0.600 CB 0.778 Z: 17 8.760 1.815 0.402 0.294 0.875 0.438 CB 1.240 17 residues pruned to eliminate duplicates Z: 7 3.049 1.571 0.055 0.448 0.667 0.500 N 1.188 7 residues pruned to eliminate duplicates Z: 7 4.586 1.704 0.603 0.494 0.667 0.500 CB 1.035 7 residues pruned to eliminate duplicates Z: 9 14.725 1.855 0.641 0.914 1.000 0.875 CB 1.210 9 residues pruned to eliminate duplicates Z: 19 19.547 1.998 0.423 0.922 0.944 0.667 CB 1.207 19 residues pruned to eliminate duplicates Z: 17 20.789 1.927 0.848 0.923 0.938 0.562 CB 1.094 17 residues pruned to eliminate duplicates Z: 22 21.094 1.862 1.009 0.658 0.905 0.571 CB 1.175 23 residues pruned to eliminate duplicates Z: 9 8.972 1.937 0.250 0.750 0.875 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 24 11.219 1.750 0.448 0.635 0.870 0.435 CB 0.936 24 residues pruned to eliminate duplicates Z: 10 11.670 1.917 1.036 0.490 0.889 0.556 CB 1.132 9 residues pruned to eliminate duplicates Z: 16 12.807 1.898 0.566 0.440 0.933 0.667 CB 1.268 16 residues pruned to eliminate duplicates Z: 73 38.442 1.867 0.795 0.700 0.931 0.681 CB 1.210 73 residues pruned to eliminate duplicates Z: 17 31.170 1.957 0.995 0.926 0.938 0.688 CB 1.493 18 residues pruned to eliminate duplicates Z: 9 19.388 1.906 0.906 0.846 1.000 0.750 CA 1.402 Z: 18 25.956 1.810 0.964 0.909 0.941 0.765 CB 1.335 18 residues pruned to eliminate duplicates Z: 17 25.604 1.968 0.805 0.865 0.938 0.688 CA 1.407 17 residues pruned to eliminate duplicates Z: 17 25.019 1.916 0.673 0.885 1.000 0.625 CA 1.410 17 residues pruned to eliminate duplicates Z: 13 11.954 1.691 0.640 0.809 0.833 0.667 CA 1.141 13 residues pruned to eliminate duplicates Z: 16 12.800 1.706 0.481 0.834 0.867 0.667 CB 1.132 16 residues pruned to eliminate duplicates Z: 6 2.411 1.523 -0.002 0.440 0.800 0.800 CA 0.943 Z: 12 23.240 1.954 1.014 0.878 1.000 0.818 CB 1.292 12 residues pruned to eliminate duplicates Z: 18 17.592 2.034 0.372 0.845 1.000 0.765 CA 1.137 18 residues pruned to eliminate duplicates Z: 20 16.444 1.714 0.703 0.884 0.947 0.526 CB 0.986 20 residues pruned to eliminate duplicates Z: 16 21.447 2.052 0.682 0.911 0.867 0.733 CA 1.312 16 residues pruned to eliminate duplicates Z: 11 9.081 1.849 0.325 0.916 1.000 0.700 CB 0.828 11 residues pruned to eliminate duplicates Z: 15 13.683 1.823 0.500 0.797 0.857 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 7 6.520 1.704 0.901 0.246 0.833 0.667 CB 1.322 9 residues pruned to eliminate duplicates Z: 17 24.809 1.934 0.782 0.911 0.938 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 10 10.592 1.811 0.424 0.776 1.000 0.556 CB 1.072 10 residues pruned to eliminate duplicates Z: 12 10.465 1.745 0.784 0.523 0.909 0.636 CB 1.090 12 residues pruned to eliminate duplicates Z: 6 2.955 1.522 0.159 0.387 0.800 0.400 CB 1.056 Z: 16 12.046 1.763 0.282 0.900 0.933 0.733 CB 1.053 16 residues pruned to eliminate duplicates Z: 22 11.549 1.902 0.311 0.416 0.905 0.476 CB 1.220 22 residues pruned to eliminate duplicates Z: 18 24.884 2.101 0.933 0.897 0.882 0.765 CB 1.206 18 residues pruned to eliminate duplicates Z: 16 20.419 1.814 0.825 0.932 0.933 0.467 CB 1.191 16 residues pruned to eliminate duplicates Z: 15 10.429 1.794 0.247 0.857 0.857 0.786 CB 1.071 15 residues pruned to eliminate duplicates Z: 17 31.266 1.872 1.228 0.952 0.938 0.562 CB 1.377 17 residues pruned to eliminate duplicates Z: 11 10.814 1.865 0.066 0.850 1.000 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 12 11.529 1.765 0.422 0.886 1.000 0.727 CA 0.999 12 residues pruned to eliminate duplicates Z: 8 14.029 1.907 1.069 0.745 1.000 0.857 CB 1.080 8 residues pruned to eliminate duplicates Z: 14 12.777 1.803 0.193 0.890 1.000 0.846 CB 1.185 14 residues pruned to eliminate duplicates Z: 8 6.167 1.601 0.340 0.900 1.000 1.000 CB 0.776 8 residues pruned to eliminate duplicates Z: 9 8.240 1.907 0.177 0.908 1.000 1.000 CB 0.921 9 residues pruned to eliminate duplicates Z: 12 15.324 1.783 0.971 0.879 1.000 0.545 CB 0.953 12 residues pruned to eliminate duplicates Z: 45 23.381 1.961 0.591 0.493 0.932 0.545 CB 1.220 45 residues pruned to eliminate duplicates Z: 10 11.598 2.128 0.131 0.741 0.889 0.556 CA 1.456 10 residues pruned to eliminate duplicates Z: 9 9.137 1.845 0.755 0.589 0.875 0.500 CB 1.047 Z: 14 11.324 1.716 0.101 0.883 1.000 0.692 CB 1.202 14 residues pruned to eliminate duplicates Z: 10 9.055 1.786 0.385 0.820 0.889 0.778 CB 1.040 10 residues pruned to eliminate duplicates Z: 20 9.442 1.712 0.600 0.276 0.789 0.421 CB 1.292 20 residues pruned to eliminate duplicates Z: 13 21.844 1.887 1.105 0.920 0.917 0.833 CA 1.220 12 residues pruned to eliminate duplicates Z: 9 11.653 1.847 0.940 0.610 1.000 0.625 CB 1.036 6 residues pruned to eliminate duplicates Z: 17 28.307 1.990 0.852 0.885 0.938 0.812 CB 1.478 17 residues pruned to eliminate duplicates Z: 10 21.920 1.929 0.655 0.869 1.000 0.667 CB 1.672 9 residues pruned to eliminate duplicates Z: 7 4.346 1.309 0.266 0.628 0.833 0.333 CA 1.139 7 residues pruned to eliminate duplicates Z: 12 9.840 1.968 0.621 0.614 0.909 0.636 CB 0.918 12 residues pruned to eliminate duplicates Z: 18 26.548 1.748 1.044 0.903 1.000 0.588 CB 1.285 18 residues pruned to eliminate duplicates 6 0.032 1.550 0.875 0.478 1.000 0.600 CB 0.005 ? Z: 13 18.332 1.858 0.839 0.839 0.917 0.917 CA 1.261 13 residues pruned to eliminate duplicates Z: 8 6.014 1.697 -0.023 0.804 0.857 0.857 CB 1.226 8 residues pruned to eliminate duplicates Z: 15 19.924 1.819 0.648 0.924 1.000 0.571 CB 1.248 16 residues pruned to eliminate duplicates Z: 31 18.501 1.859 0.643 0.689 0.900 0.700 CB 1.034 31 residues pruned to eliminate duplicates Z: 17 13.723 1.772 0.264 0.929 0.938 0.688 CB 1.143 16 residues pruned to eliminate duplicates Z: 13 9.174 1.746 0.409 0.824 0.833 0.667 CB 0.976 13 residues pruned to eliminate duplicates Z: 13 13.080 1.734 0.625 0.857 0.917 0.917 CA 1.077 13 residues pruned to eliminate duplicates Z: 13 12.759 1.788 0.595 0.864 0.917 0.750 CB 1.033 13 residues pruned to eliminate duplicates Z: 6 7.840 1.714 0.865 0.809 0.800 0.600 CA 1.047 6 residues pruned to eliminate duplicates Z: 12 13.534 1.777 0.491 0.884 1.000 0.909 CB 1.113 12 residues pruned to eliminate duplicates Z: 17 26.435 1.918 0.870 0.936 0.938 0.625 CB 1.369 17 residues pruned to eliminate duplicates Z: 14 14.198 1.702 0.529 0.913 0.923 0.769 CA 1.159 14 residues pruned to eliminate duplicates Z: 13 18.251 1.957 0.742 0.856 0.917 0.500 CB 1.244 13 residues pruned to eliminate duplicates Z: 12 24.814 2.045 1.024 0.911 0.909 0.727 CB 1.409 12 residues pruned to eliminate duplicates Z: 15 6.586 1.594 0.449 0.671 0.857 0.643 CB 0.760 Z: 12 12.894 1.751 0.726 0.845 1.000 0.727 CB 0.956 12 residues pruned to eliminate duplicates Z: 11 7.358 1.994 0.676 0.650 0.800 0.400 CB 0.757 12 residues pruned to eliminate duplicates Z: 16 12.399 1.750 0.348 0.526 0.933 0.800 CB 1.417 16 residues pruned to eliminate duplicates Z: 6 5.823 1.710 0.392 0.416 0.800 0.600 CA 1.493 6 residues pruned to eliminate duplicates Z: 17 22.381 1.914 0.715 0.869 0.875 0.375 CB 1.423 17 residues pruned to eliminate duplicates Z: 18 12.588 1.790 0.091 0.907 1.000 0.824 CB 1.111 18 residues pruned to eliminate duplicates Z: 15 10.490 1.859 0.313 0.435 0.929 0.643 CB 1.323 15 residues pruned to eliminate duplicates Z: 20 12.603 1.706 0.579 0.404 1.000 0.474 CB 1.187 20 residues pruned to eliminate duplicates Z: 19 27.829 2.023 0.902 0.902 1.000 0.611 CB 1.216 19 residues pruned to eliminate duplicates Z: 28 22.799 1.977 0.597 0.722 0.963 0.815 CB 1.181 28 residues pruned to eliminate duplicates Z: 20 15.727 1.794 0.658 0.925 0.895 0.684 CB 0.951 20 residues pruned to eliminate duplicates Z: 19 17.480 1.844 0.666 0.913 0.833 0.444 CB 1.139 19 residues pruned to eliminate duplicates Z: 12 16.069 1.826 0.667 0.879 1.000 0.727 CB 1.154 12 residues pruned to eliminate duplicates Z: 18 16.797 1.853 0.386 0.931 0.941 0.765 CB 1.177 18 residues pruned to eliminate duplicates Z: 9 5.041 1.232 0.604 0.688 0.875 0.500 N 0.868 Z: 7 4.542 1.534 -0.091 0.680 0.833 0.333 O 1.352 Z: 15 10.977 1.860 0.545 0.415 0.929 0.786 CB 1.202 15 residues pruned to eliminate duplicates Z: 15 13.931 1.862 0.127 0.722 1.000 0.929 CB 1.453 15 residues pruned to eliminate duplicates Z: 19 27.727 2.033 0.818 0.904 1.000 0.944 CB 1.260 19 residues pruned to eliminate duplicates Z: 11 9.719 1.761 0.579 0.844 0.900 0.600 CB 0.914 11 residues pruned to eliminate duplicates Z: 18 19.210 1.776 0.964 0.892 0.882 0.471 CB 1.087 18 residues pruned to eliminate duplicates Z: 8 9.952 1.881 0.598 0.855 0.714 0.571 CB 1.293 8 residues pruned to eliminate duplicates Z: 6 4.033 1.577 0.877 0.291 0.800 0.400 CA 0.963 Z: 13 8.895 1.892 0.306 0.503 0.750 0.417 CB 1.381 5 residues pruned to eliminate duplicates Z: 11 16.838 2.138 0.540 0.915 1.000 1.000 CB 1.143 11 residues pruned to eliminate duplicates Z: 42 23.937 1.901 0.511 0.529 0.976 0.683 CB 1.296 42 residues pruned to eliminate duplicates Z: 13 9.054 1.785 0.263 0.523 1.000 0.667 CB 1.133 12 residues pruned to eliminate duplicates Z: 20 18.950 1.793 0.759 0.876 0.947 0.526 CB 1.058 18 residues pruned to eliminate duplicates Z: 12 23.897 1.870 1.115 0.908 1.000 0.727 CA 1.295 12 residues pruned to eliminate duplicates Z: 13 8.456 1.848 0.486 0.708 0.750 0.583 CB 0.981 13 residues pruned to eliminate duplicates Z: 31 23.672 1.966 0.697 0.631 0.867 0.667 CB 1.321 31 residues pruned to eliminate duplicates Z: 18 23.141 2.052 0.700 0.887 0.941 0.765 CB 1.232 18 residues pruned to eliminate duplicates Z: 9 10.614 1.817 1.233 0.481 0.875 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 7 6.968 1.651 0.895 0.596 1.000 0.333 CA 0.830 7 residues pruned to eliminate duplicates Z: 21 22.922 1.907 1.039 0.634 0.900 0.750 CB 1.291 21 residues pruned to eliminate duplicates Z: 10 7.106 1.634 0.755 0.609 0.778 0.444 CB 0.957 9 residues pruned to eliminate duplicates Z: 19 15.346 1.804 0.264 0.899 1.000 0.889 CB 1.134 19 residues pruned to eliminate duplicates Z: 11 9.629 1.807 0.480 0.911 1.000 1.000 CB 0.807 11 residues pruned to eliminate duplicates Z: 12 14.630 1.849 0.948 0.907 0.909 0.455 CB 0.957 12 residues pruned to eliminate duplicates Z: 16 14.815 1.726 0.414 0.872 1.000 0.667 CB 1.142 16 residues pruned to eliminate duplicates Z: 17 24.348 1.919 0.912 0.888 0.938 0.688 CA 1.275 17 residues pruned to eliminate duplicates Z: 52 38.719 2.013 0.916 0.627 0.961 0.706 CB 1.298 52 residues pruned to eliminate duplicates Z: 21 13.915 1.905 0.536 0.533 0.950 0.700 CB 1.083 21 residues pruned to eliminate duplicates Z: 22 23.803 1.998 0.607 0.751 0.905 0.762 CA 1.430 22 residues pruned to eliminate duplicates Z: 17 14.857 1.900 0.266 0.802 1.000 0.750 CA 1.186 17 residues pruned to eliminate duplicates Z: 13 15.951 1.785 0.550 0.876 1.000 0.750 CB 1.209 13 residues pruned to eliminate duplicates Z: 13 9.457 1.555 0.337 0.884 1.000 0.917 CB 0.949 11 residues pruned to eliminate duplicates Z: 19 12.713 1.673 0.322 0.858 0.889 0.611 CB 1.123 19 residues pruned to eliminate duplicates Z: 6 4.348 1.559 0.409 0.363 0.800 0.400 N 1.283 6 residues pruned to eliminate duplicates Z: 11 13.367 1.874 0.660 0.930 1.000 0.800 CB 0.951 11 residues pruned to eliminate duplicates Z: 8 2.306 1.238 0.693 0.184 0.714 0.571 CA 0.851 Z: 14 12.058 1.779 0.197 0.893 1.000 0.923 CB 1.127 14 residues pruned to eliminate duplicates Z: 30 21.533 1.911 0.714 0.524 0.897 0.552 CB 1.330 30 residues pruned to eliminate duplicates Z: 17 31.227 1.968 0.988 0.921 1.000 0.500 CA 1.404 17 residues pruned to eliminate duplicates Z: 17 16.324 1.833 0.577 0.902 0.938 0.500 CB 1.074 17 residues pruned to eliminate duplicates Z: 14 8.082 1.492 0.505 0.840 1.000 0.769 CB 0.745 12 residues pruned to eliminate duplicates Z: 7 2.558 1.414 0.303 0.286 0.667 0.500 C 1.082 Z: 37 16.939 1.837 0.412 0.540 0.917 0.583 CB 1.142 37 residues pruned to eliminate duplicates Z: 17 18.389 1.672 0.695 0.877 1.000 0.438 CB 1.177 15 residues pruned to eliminate duplicates Z: 7 7.849 1.554 1.030 0.606 0.833 0.500 N 1.102 Z: 18 19.176 1.622 0.939 0.906 0.941 0.235 CB 1.118 17 residues pruned to eliminate duplicates Z: 17 27.176 1.901 0.969 0.902 0.938 0.875 CB 1.381 17 residues pruned to eliminate duplicates Z: 17 20.721 1.915 0.647 0.893 0.938 0.812 CA 1.258 17 residues pruned to eliminate duplicates Z: 11 4.459 1.637 0.558 0.357 0.500 0.400 O 1.290 Z: 11 9.573 1.746 0.304 0.840 1.000 0.900 CA 0.992 11 residues pruned to eliminate duplicates Z: 6 6.470 1.634 0.676 0.415 0.800 0.600 CA 1.444 6 residues pruned to eliminate duplicates Z: 11 9.781 1.810 0.594 0.571 1.000 0.700 CB 1.000 11 residues pruned to eliminate duplicates Z: 14 15.242 1.741 0.574 0.871 1.000 0.538 CB 1.125 14 residues pruned to eliminate duplicates Z: 14 14.206 1.818 0.368 0.857 1.000 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 13 23.352 1.805 1.082 0.900 1.000 0.500 CA 1.281 13 residues pruned to eliminate duplicates Z: 17 33.141 1.902 1.120 0.936 1.000 0.500 CB 1.431 17 residues pruned to eliminate duplicates Z: 17 16.921 1.707 0.660 0.820 1.000 0.812 CA 1.131 18 residues pruned to eliminate duplicates Z: 11 5.071 1.562 0.435 0.344 0.700 0.500 CA 1.211 Z: 19 28.717 1.998 1.059 0.909 1.000 0.500 CB 1.168 19 residues pruned to eliminate duplicates Z: 17 25.259 1.872 0.695 0.906 1.000 0.938 CA 1.416 17 residues pruned to eliminate duplicates Z: 20 15.157 1.750 0.317 0.847 0.947 0.632 CB 1.182 20 residues pruned to eliminate duplicates Z: 15 14.189 1.670 0.783 0.881 0.857 0.357 CB 1.076 15 residues pruned to eliminate duplicates Z: 25 23.171 2.005 0.618 0.748 1.000 0.667 CB 1.169 25 residues pruned to eliminate duplicates Z: 37 25.000 1.869 0.828 0.579 0.944 0.639 CB 1.197 37 residues pruned to eliminate duplicates Z: 7 9.678 1.801 0.575 0.620 1.000 0.667 CA 1.243 7 residues pruned to eliminate duplicates Z: 19 17.878 1.841 0.779 0.911 1.000 0.667 CB 0.912 19 residues pruned to eliminate duplicates Z: 49 28.325 1.849 0.755 0.719 0.917 0.562 CB 1.128 49 residues pruned to eliminate duplicates Z: 10 10.734 1.835 0.910 0.446 0.889 0.667 CB 1.214 11 residues pruned to eliminate duplicates Z: 12 6.728 1.578 0.148 0.887 1.000 0.818 CB 0.807 12 residues pruned to eliminate duplicates Z: 19 15.180 1.988 0.421 0.581 0.889 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 10 10.821 1.671 0.750 0.516 1.000 0.778 CA 1.214 10 residues pruned to eliminate duplicates Z: 30 27.485 1.845 0.794 0.733 0.931 0.621 CB 1.344 30 residues pruned to eliminate duplicates Z: 28 17.685 1.834 0.555 0.705 0.926 0.556 CB 1.070 21 residues pruned to eliminate duplicates Z: 10 7.666 1.612 0.368 0.866 1.000 0.667 CB 0.848 10 residues pruned to eliminate duplicates Z: 12 10.853 1.747 0.309 0.919 1.000 0.909 CB 1.009 12 residues pruned to eliminate duplicates Z: 17 11.063 1.736 0.281 0.541 0.875 0.688 CB 1.365 26 residues pruned to eliminate duplicates Z: 13 13.560 1.844 0.493 0.835 0.917 0.750 CB 1.162 13 residues pruned to eliminate duplicates Z: 16 8.649 1.704 0.537 0.331 0.867 0.733 CB 1.185 16 residues pruned to eliminate duplicates Z: 33 25.510 2.076 0.792 0.541 0.938 0.531 CB 1.242 33 residues pruned to eliminate duplicates Z: 8 7.979 1.728 0.618 0.866 0.714 0.571 CB 1.106 8 residues pruned to eliminate duplicates Z: 40 21.208 1.996 0.586 0.467 0.923 0.692 CB 1.202 40 residues pruned to eliminate duplicates Z: 11 12.799 1.985 0.499 0.780 0.900 0.600 CA 1.181 11 residues pruned to eliminate duplicates Z: 16 15.234 1.831 0.846 0.643 0.933 0.667 CB 1.091 16 residues pruned to eliminate duplicates Z: 31 28.946 1.918 0.701 0.722 0.933 0.667 CB 1.420 31 residues pruned to eliminate duplicates Z: 18 13.858 1.690 0.544 0.872 0.882 0.588 CB 1.064 18 residues pruned to eliminate duplicates Z: 7 2.077 1.311 0.191 0.252 0.667 0.333 C 1.083 Z: 56 27.128 1.746 0.810 0.680 0.891 0.527 CB 1.101 52 residues pruned to eliminate duplicates Z: 15 15.697 1.885 0.861 0.740 0.857 0.500 CB 1.125 15 residues pruned to eliminate duplicates Z: 6 6.076 1.697 0.723 0.716 0.800 0.400 CB 0.955 6 residues pruned to eliminate duplicates Z: 7 7.824 1.737 0.712 0.868 0.833 0.833 CA 0.942 7 residues pruned to eliminate duplicates Z: 15 17.206 1.709 0.638 0.928 1.000 0.286 CB 1.150 15 residues pruned to eliminate duplicates Z: 22 13.250 1.864 0.574 0.576 0.857 0.524 CB 1.068 22 residues pruned to eliminate duplicates Z: 20 30.035 1.960 1.124 0.913 1.000 0.684 CB 1.171 19 residues pruned to eliminate duplicates Z: 12 17.126 1.809 0.860 0.878 0.909 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 19 20.023 1.908 0.613 0.781 0.889 0.722 CA 1.347 19 residues pruned to eliminate duplicates Z: 8 6.630 1.394 0.645 0.736 1.000 0.571 CB 0.884 7 residues pruned to eliminate duplicates Z: 29 15.794 1.801 0.692 0.490 0.893 0.571 CB 1.108 29 residues pruned to eliminate duplicates Z: 17 27.031 1.798 0.964 0.940 1.000 1.000 CB 1.330 17 residues pruned to eliminate duplicates Z: 31 23.518 1.913 0.716 0.516 0.933 0.733 CB 1.379 31 residues pruned to eliminate duplicates Z: 10 4.718 1.577 0.306 0.320 0.778 0.556 O 1.196 5 residues pruned to eliminate duplicates Z: 6 4.145 1.602 0.371 0.530 1.000 1.000 CB 0.819 Z: 23 11.395 1.719 0.524 0.497 0.864 0.682 CB 1.078 23 residues pruned to eliminate duplicates Z: 10 11.485 1.866 0.937 0.477 0.889 0.667 CB 1.219 10 residues pruned to eliminate duplicates Z: 60 29.716 1.871 0.634 0.743 0.864 0.593 CB 1.177 60 residues pruned to eliminate duplicates Z: 7 7.272 1.575 0.529 0.872 1.000 0.500 CB 0.899 7 residues pruned to eliminate duplicates 387 residues left after pruning, divided into chains as follows: A: 10 B: 13 C: 9 D: 30 E: 19 F: 25 G: 151 H: 130 CC for partial structure against native data = 39.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.384, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.535, Connect. = 0.764 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.766 for dens.mod. cycle 4 = 0.300, Contrast = 0.556, Connect. = 0.768 for dens.mod. cycle 5 = 0.300, Contrast = 0.563, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2228 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 493 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 29.974 2.295 0.569 0.891 0.944 0.833 CA 1.494 B: 11 15.081 1.999 0.449 0.805 1.000 0.400 CB 1.262 C: 12 13.487 2.052 0.315 0.816 0.727 0.364 CB 1.574 13 residues pruned to eliminate duplicates D: 37 35.919 2.234 0.755 0.536 0.972 0.556 CB 1.516 E: 21 32.356 2.146 0.721 0.911 1.000 0.850 CA 1.389 19 residues pruned to eliminate duplicates F: 19 15.072 1.972 0.137 0.860 0.889 0.667 CB 1.311 G: 11 21.532 2.259 0.428 0.936 1.000 0.900 CB 1.470 11 residues pruned to eliminate duplicates H: 51 34.231 2.108 0.693 0.553 0.980 0.560 CB 1.314 37 residues pruned to eliminate duplicates I: 14 22.815 2.017 0.638 0.813 0.923 0.769 CA 1.580 J: 29 26.173 2.086 0.600 0.587 0.964 0.571 CB 1.414 K: 44 36.670 2.166 0.716 0.613 0.977 0.628 CB 1.384 51 residues pruned to eliminate duplicates L: 39 32.524 2.195 0.608 0.547 0.947 0.711 CB 1.506 39 residues pruned to eliminate duplicates M: 12 18.657 2.050 0.476 0.857 1.000 0.727 CB 1.371 N: 19 33.324 2.295 0.695 0.874 0.944 0.778 CA 1.556 19 residues pruned to eliminate duplicates O: 14 17.862 2.061 0.445 0.847 0.923 0.846 CA 1.338 14 residues pruned to eliminate duplicates P: 16 20.590 2.025 0.155 0.929 1.000 0.933 CB 1.591 Q: 13 22.941 2.060 0.774 0.880 1.000 0.833 CB 1.314 12 residues pruned to eliminate duplicates R: 19 35.879 2.332 0.636 0.912 1.000 0.833 CA 1.570 20 residues pruned to eliminate duplicates S: 19 27.156 2.164 0.419 0.894 1.000 0.889 CB 1.495 19 residues pruned to eliminate duplicates T: 38 32.345 2.196 0.565 0.520 0.946 0.595 CB 1.603 38 residues pruned to eliminate duplicates U: 20 22.680 1.911 0.371 0.896 1.000 0.895 CB 1.423 19 residues pruned to eliminate duplicates V: 14 17.698 2.065 0.362 0.883 1.000 0.923 CA 1.262 14 residues pruned to eliminate duplicates W: 34 24.744 2.012 0.603 0.567 0.939 0.667 CB 1.332 X: 13 21.762 2.088 0.571 0.851 1.000 0.750 CB 1.418 Y: 77 50.524 2.194 0.652 0.619 0.934 0.711 CB 1.531 65 residues pruned to eliminate duplicates Z: 21 41.896 2.141 1.101 0.903 1.000 0.550 CB 1.485 20 residues pruned to eliminate duplicates Z: 35 27.133 2.027 0.685 0.568 0.971 0.559 CB 1.314 40 residues pruned to eliminate duplicates Z: 20 36.503 2.201 0.782 0.915 1.000 0.737 CA 1.509 20 residues pruned to eliminate duplicates Z: 14 12.575 1.785 0.110 0.892 1.000 1.000 CA 1.265 Z: 14 25.701 2.010 0.899 0.846 0.923 0.692 CB 1.503 Z: 13 33.576 2.138 0.952 0.925 1.000 0.750 CA 1.630 14 residues pruned to eliminate duplicates Z: 17 27.347 1.961 0.678 0.869 1.000 0.500 CB 1.517 16 residues pruned to eliminate duplicates Z: 12 28.478 2.136 0.951 0.916 0.909 0.636 CA 1.600 12 residues pruned to eliminate duplicates Z: 12 27.755 2.316 0.585 0.921 1.000 0.636 CB 1.604 12 residues pruned to eliminate duplicates Z: 17 28.184 1.975 0.681 0.931 1.000 0.812 CB 1.483 Z: 14 17.297 1.865 0.311 0.920 1.000 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 7 11.162 2.050 0.148 0.896 1.000 1.000 CA 1.387 7 residues pruned to eliminate duplicates Z: 12 22.442 2.112 0.412 0.902 1.000 0.909 CB 1.617 12 residues pruned to eliminate duplicates Z: 13 19.949 2.151 0.388 0.862 1.000 0.667 CB 1.415 13 residues pruned to eliminate duplicates Z: 6 7.341 1.743 0.308 0.775 1.000 0.800 CA 1.130 6 residues pruned to eliminate duplicates Z: 18 37.274 2.308 1.032 0.881 0.941 0.529 CB 1.483 18 residues pruned to eliminate duplicates Z: 18 22.058 1.960 0.438 0.870 1.000 0.706 CB 1.385 17 residues pruned to eliminate duplicates Z: 29 20.827 2.103 0.561 0.492 0.893 0.571 CB 1.354 29 residues pruned to eliminate duplicates Z: 22 22.322 1.818 0.642 0.918 0.952 0.619 CB 1.208 21 residues pruned to eliminate duplicates Z: 13 18.588 2.049 0.333 0.885 1.000 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 13 13.712 1.903 0.531 0.533 0.917 0.833 CB 1.436 Z: 6 11.809 2.184 0.360 0.881 1.000 1.000 CB 1.287 6 residues pruned to eliminate duplicates Z: 12 25.456 2.086 0.733 0.931 0.909 0.818 CA 1.632 12 residues pruned to eliminate duplicates Z: 48 29.150 1.975 0.502 0.673 0.936 0.532 CB 1.306 37 residues pruned to eliminate duplicates Z: 18 21.550 2.085 0.335 0.902 0.941 0.706 CB 1.423 Z: 15 18.801 1.990 0.406 0.925 0.929 0.714 CB 1.358 15 residues pruned to eliminate duplicates Z: 40 27.014 2.064 0.592 0.455 0.923 0.462 CB 1.493 39 residues pruned to eliminate duplicates Z: 12 21.931 2.114 0.880 0.699 1.000 0.727 CB 1.387 4 residues pruned to eliminate duplicates Z: 18 17.498 1.933 0.367 0.900 0.941 0.588 CB 1.219 18 residues pruned to eliminate duplicates Z: 16 27.325 1.997 0.634 0.937 1.000 0.667 CB 1.505 16 residues pruned to eliminate duplicates Z: 21 37.014 2.159 0.963 0.886 0.950 0.550 CB 1.484 21 residues pruned to eliminate duplicates Z: 11 18.543 2.117 0.659 0.900 0.800 0.500 CB 1.491 11 residues pruned to eliminate duplicates Z: 11 10.494 1.821 0.216 0.769 0.900 0.800 CA 1.312 11 residues pruned to eliminate duplicates Z: 17 20.421 1.976 0.268 0.905 1.000 0.688 CB 1.450 17 residues pruned to eliminate duplicates Z: 10 9.540 1.666 0.536 0.773 0.778 0.667 CB 1.255 10 residues pruned to eliminate duplicates Z: 6 6.039 1.896 -0.108 0.780 1.000 0.600 CB 1.248 6 residues pruned to eliminate duplicates Z: 17 25.066 2.096 0.672 0.879 1.000 0.875 CA 1.296 17 residues pruned to eliminate duplicates Z: 18 19.186 1.914 0.363 0.921 1.000 0.882 CA 1.256 Z: 17 21.562 2.023 0.577 0.882 0.938 0.938 CA 1.304 17 residues pruned to eliminate duplicates Z: 7 16.831 2.278 0.346 0.884 1.000 0.833 CA 1.619 7 residues pruned to eliminate duplicates Z: 19 28.160 1.942 0.797 0.837 0.944 0.611 CA 1.506 18 residues pruned to eliminate duplicates Z: 13 15.933 1.883 0.251 0.898 1.000 0.917 CB 1.397 13 residues pruned to eliminate duplicates Z: 106 54.886 2.126 0.639 0.670 0.924 0.619 CB 1.422 96 residues pruned to eliminate duplicates Z: 19 28.232 2.063 0.724 0.907 0.944 0.667 CB 1.407 19 residues pruned to eliminate duplicates Z: 14 19.867 1.998 0.544 0.819 0.923 0.692 CA 1.467 14 residues pruned to eliminate duplicates Z: 16 24.162 2.079 0.609 0.892 1.000 1.000 CA 1.340 16 residues pruned to eliminate duplicates Z: 14 18.472 1.947 0.371 0.840 1.000 0.769 CA 1.432 14 residues pruned to eliminate duplicates Z: 12 20.408 2.219 0.538 0.875 0.909 0.818 CB 1.442 12 residues pruned to eliminate duplicates Z: 12 20.235 1.985 0.899 0.852 0.909 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 13 16.783 1.881 0.629 0.863 0.917 0.917 CA 1.265 13 residues pruned to eliminate duplicates Z: 7 6.460 1.876 -0.098 0.772 0.833 0.333 CB 1.472 7 residues pruned to eliminate duplicates Z: 19 19.073 1.922 0.360 0.915 0.944 0.722 CB 1.287 19 residues pruned to eliminate duplicates Z: 21 38.222 2.176 0.990 0.893 1.000 0.700 CA 1.417 21 residues pruned to eliminate duplicates Z: 12 16.641 1.958 0.704 0.507 1.000 0.727 CA 1.494 12 residues pruned to eliminate duplicates Z: 132 60.116 2.082 0.641 0.669 0.931 0.626 CB 1.412 130 residues pruned to eliminate duplicates Z: 16 27.382 1.995 0.702 0.905 1.000 0.667 CB 1.481 16 residues pruned to eliminate duplicates Z: 37 29.222 2.076 0.475 0.774 0.944 0.556 CB 1.322 37 residues pruned to eliminate duplicates Z: 14 7.922 2.009 0.483 0.315 0.692 0.538 CB 1.307 14 residues pruned to eliminate duplicates Z: 16 25.820 2.069 0.797 0.886 1.000 0.933 CA 1.293 16 residues pruned to eliminate duplicates Z: 15 12.770 1.982 0.353 0.458 1.000 0.500 CA 1.328 16 residues pruned to eliminate duplicates Z: 6 6.981 1.721 0.591 0.661 0.800 0.800 CB 1.227 Z: 14 22.281 2.068 0.654 0.831 1.000 0.615 CA 1.357 14 residues pruned to eliminate duplicates Z: 17 22.332 1.957 0.483 0.923 0.938 0.750 CB 1.441 17 residues pruned to eliminate duplicates Z: 19 35.662 2.315 0.632 0.929 1.000 0.667 CA 1.557 19 residues pruned to eliminate duplicates Z: 12 26.165 2.234 0.761 0.889 1.000 0.818 CB 1.443 12 residues pruned to eliminate duplicates Z: 21 38.292 2.196 1.097 0.847 0.950 0.800 CA 1.452 21 residues pruned to eliminate duplicates Z: 18 20.548 2.034 0.381 0.843 0.941 0.471 CB 1.404 18 residues pruned to eliminate duplicates Z: 13 24.123 2.174 0.595 0.867 1.000 0.667 CB 1.469 13 residues pruned to eliminate duplicates Z: 19 32.885 1.841 1.035 0.918 1.000 0.611 CB 1.459 17 residues pruned to eliminate duplicates Z: 36 31.761 2.087 0.631 0.792 0.943 0.714 CB 1.295 36 residues pruned to eliminate duplicates Z: 35 30.243 1.967 0.578 0.740 0.941 0.676 CA 1.432 35 residues pruned to eliminate duplicates Z: 15 23.242 2.034 0.692 0.876 1.000 0.571 CB 1.311 15 residues pruned to eliminate duplicates Z: 18 24.974 1.956 0.664 0.907 0.941 0.529 CB 1.405 18 residues pruned to eliminate duplicates Z: 13 20.323 2.078 0.558 0.855 1.000 0.750 CA 1.337 13 residues pruned to eliminate duplicates Z: 12 17.339 2.014 0.409 0.925 1.000 0.818 CB 1.293 12 residues pruned to eliminate duplicates Z: 18 20.111 1.908 0.328 0.897 1.000 0.824 CA 1.377 18 residues pruned to eliminate duplicates Z: 11 19.096 2.074 0.422 0.930 1.000 0.800 CB 1.432 11 residues pruned to eliminate duplicates Z: 18 27.780 1.964 0.626 0.862 1.000 0.824 CA 1.549 18 residues pruned to eliminate duplicates Z: 13 22.561 2.172 0.621 0.869 0.917 0.333 CB 1.474 13 residues pruned to eliminate duplicates Z: 16 16.818 1.906 0.174 0.914 1.000 0.800 CA 1.372 16 residues pruned to eliminate duplicates Z: 17 30.890 2.047 0.898 0.906 0.938 0.812 CA 1.509 17 residues pruned to eliminate duplicates Z: 17 20.103 1.852 0.485 0.905 0.938 0.500 CB 1.388 17 residues pruned to eliminate duplicates Z: 15 13.423 2.015 0.331 0.413 1.000 0.357 CA 1.465 15 residues pruned to eliminate duplicates Z: 46 41.300 2.004 0.830 0.767 0.933 0.444 CB 1.419 46 residues pruned to eliminate duplicates Z: 18 33.022 1.974 0.915 0.903 1.000 0.824 CB 1.511 19 residues pruned to eliminate duplicates Z: 17 28.755 2.032 0.815 0.921 0.938 0.938 CA 1.463 17 residues pruned to eliminate duplicates Z: 8 14.395 2.160 0.599 0.559 1.000 0.571 CB 1.487 Z: 19 23.684 2.034 0.614 0.869 0.944 0.611 CB 1.315 19 residues pruned to eliminate duplicates Z: 18 30.784 1.978 0.899 0.867 1.000 0.412 CB 1.454 23 residues pruned to eliminate duplicates Z: 20 41.366 2.226 1.139 0.901 0.947 0.526 CB 1.502 20 residues pruned to eliminate duplicates Z: 12 13.579 2.017 0.174 0.922 1.000 1.000 CB 1.216 12 residues pruned to eliminate duplicates Z: 13 17.795 2.112 0.242 0.911 1.000 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 13 18.009 2.068 0.340 0.824 1.000 0.667 CB 1.416 13 residues pruned to eliminate duplicates Z: 14 14.793 2.108 0.363 0.437 1.000 0.538 CB 1.524 15 residues pruned to eliminate duplicates Z: 71 39.695 2.088 0.715 0.560 0.914 0.529 CB 1.368 71 residues pruned to eliminate duplicates Z: 6 6.033 1.804 1.374 0.689 0.800 0.800 CB 0.662 Z: 14 15.429 1.920 0.791 0.836 0.923 0.538 CB 1.009 14 residues pruned to eliminate duplicates Z: 7 12.348 1.816 0.869 0.844 0.833 0.833 CB 1.326 7 residues pruned to eliminate duplicates Z: 17 22.704 2.026 0.583 0.897 1.000 0.625 CA 1.266 17 residues pruned to eliminate duplicates Z: 66 49.519 2.097 0.640 0.767 0.954 0.708 CB 1.478 66 residues pruned to eliminate duplicates Z: 60 43.753 2.023 0.678 0.741 0.966 0.542 CB 1.400 60 residues pruned to eliminate duplicates Z: 21 29.057 2.144 0.501 0.920 1.000 0.900 CA 1.422 21 residues pruned to eliminate duplicates Z: 15 26.581 2.082 0.799 0.823 1.000 0.643 CB 1.434 15 residues pruned to eliminate duplicates Z: 14 18.455 1.937 0.787 0.847 0.923 0.692 CA 1.189 14 residues pruned to eliminate duplicates Z: 19 21.243 2.005 0.399 0.848 0.944 0.611 CB 1.403 19 residues pruned to eliminate duplicates Z: 10 12.926 1.899 0.315 0.834 1.000 0.778 CB 1.293 10 residues pruned to eliminate duplicates Z: 11 20.322 2.070 0.555 0.907 1.000 0.800 CB 1.419 11 residues pruned to eliminate duplicates Z: 14 12.995 1.864 0.154 0.869 1.000 0.692 CB 1.223 14 residues pruned to eliminate duplicates Z: 14 30.991 2.448 0.673 0.879 0.923 0.846 CA 1.649 14 residues pruned to eliminate duplicates Z: 20 21.780 2.188 0.331 0.834 0.895 0.789 CA 1.438 20 residues pruned to eliminate duplicates Z: 36 31.587 2.176 0.752 0.531 0.914 0.571 CB 1.486 36 residues pruned to eliminate duplicates Z: 18 18.093 1.969 0.128 0.864 1.000 0.824 CB 1.449 18 residues pruned to eliminate duplicates Z: 14 15.945 1.812 0.358 0.875 1.000 0.769 CA 1.307 13 residues pruned to eliminate duplicates Z: 13 18.673 1.962 0.547 0.829 0.917 0.750 CB 1.457 13 residues pruned to eliminate duplicates Z: 12 16.382 2.066 0.409 0.924 1.000 1.000 CB 1.192 12 residues pruned to eliminate duplicates Z: 19 22.887 1.904 0.683 0.867 0.944 0.778 CA 1.305 19 residues pruned to eliminate duplicates Z: 19 22.305 2.222 0.217 0.910 0.944 0.944 CA 1.461 19 residues pruned to eliminate duplicates Z: 26 36.484 2.251 0.654 0.765 1.000 0.920 CA 1.550 19 residues pruned to eliminate duplicates Z: 18 23.907 2.001 0.503 0.893 0.941 0.647 CB 1.470 18 residues pruned to eliminate duplicates Z: 16 29.997 1.963 0.846 0.925 1.000 0.667 CB 1.499 16 residues pruned to eliminate duplicates Z: 19 35.037 2.345 0.562 0.902 1.000 0.944 CA 1.609 19 residues pruned to eliminate duplicates Z: 18 27.075 1.986 0.675 0.867 0.941 0.706 CA 1.535 18 residues pruned to eliminate duplicates Z: 17 28.818 2.133 0.846 0.920 0.938 0.938 CB 1.375 17 residues pruned to eliminate duplicates Z: 47 30.707 1.994 0.644 0.697 0.891 0.522 CB 1.295 47 residues pruned to eliminate duplicates Z: 18 27.910 2.055 0.667 0.923 1.000 0.588 CB 1.389 18 residues pruned to eliminate duplicates Z: 13 13.923 2.077 0.193 0.773 1.000 0.500 CB 1.275 13 residues pruned to eliminate duplicates Z: 12 18.501 2.060 0.417 0.933 1.000 0.909 CB 1.334 12 residues pruned to eliminate duplicates Z: 18 25.802 1.944 0.895 0.861 0.824 0.353 CA 1.516 18 residues pruned to eliminate duplicates Z: 18 21.214 2.013 0.456 0.910 0.941 0.471 CB 1.323 18 residues pruned to eliminate duplicates Z: 28 26.536 2.144 0.442 0.800 0.926 0.630 CB 1.373 28 residues pruned to eliminate duplicates Z: 6 7.424 1.807 0.468 0.642 0.800 0.600 CA 1.371 6 residues pruned to eliminate duplicates Z: 66 33.522 2.049 0.548 0.607 0.908 0.769 CB 1.305 66 residues pruned to eliminate duplicates Z: 58 31.409 2.029 0.530 0.462 0.965 0.579 CB 1.444 58 residues pruned to eliminate duplicates Z: 13 14.521 2.026 0.626 0.548 0.917 0.667 CB 1.324 13 residues pruned to eliminate duplicates Z: 17 31.048 2.112 0.986 0.901 1.000 0.562 CA 1.322 17 residues pruned to eliminate duplicates Z: 13 26.984 2.148 0.802 0.914 0.917 0.917 CA 1.554 13 residues pruned to eliminate duplicates Z: 25 36.455 2.246 0.715 0.731 1.000 0.917 CA 1.569 25 residues pruned to eliminate duplicates Z: 13 14.407 2.010 0.043 0.861 1.000 0.750 CA 1.456 13 residues pruned to eliminate duplicates Z: 37 26.639 1.992 0.503 0.492 0.972 0.611 CB 1.538 37 residues pruned to eliminate duplicates Z: 41 20.461 1.965 0.302 0.545 0.875 0.500 CB 1.383 41 residues pruned to eliminate duplicates Z: 19 31.140 1.946 0.932 0.846 0.944 0.667 CA 1.537 18 residues pruned to eliminate duplicates Z: 19 17.281 1.944 0.531 0.869 0.833 0.444 CB 1.199 19 residues pruned to eliminate duplicates Z: 13 19.931 2.107 0.304 0.887 1.000 0.750 CB 1.511 13 residues pruned to eliminate duplicates Z: 13 20.604 2.026 0.614 0.868 1.000 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 9 18.169 1.938 0.871 0.822 1.000 0.625 CA 1.340 10 residues pruned to eliminate duplicates Z: 19 22.389 2.019 0.477 0.895 0.944 0.833 CB 1.343 19 residues pruned to eliminate duplicates Z: 14 22.535 2.100 0.787 0.878 0.846 0.538 CA 1.427 14 residues pruned to eliminate duplicates Z: 10 9.897 1.730 0.385 0.728 0.889 0.556 CB 1.262 10 residues pruned to eliminate duplicates Z: 17 19.321 1.956 0.184 0.880 1.000 0.938 CA 1.511 17 residues pruned to eliminate duplicates Z: 14 13.903 1.933 0.170 0.754 0.923 0.385 CB 1.473 14 residues pruned to eliminate duplicates Z: 6 6.746 1.669 0.605 0.438 0.800 0.800 O 1.501 Z: 13 17.917 2.047 0.188 0.936 1.000 0.833 CB 1.480 13 residues pruned to eliminate duplicates Z: 14 11.537 1.791 0.059 0.884 1.000 0.923 CA 1.218 14 residues pruned to eliminate duplicates Z: 6 5.127 1.760 0.909 0.501 0.600 0.400 CA 1.136 Z: 14 16.485 2.073 0.264 0.844 1.000 0.923 CA 1.298 14 residues pruned to eliminate duplicates Z: 76 42.318 2.129 0.596 0.568 0.947 0.640 CB 1.423 65 residues pruned to eliminate duplicates Z: 33 27.112 2.086 0.721 0.575 0.906 0.656 CB 1.370 32 residues pruned to eliminate duplicates Z: 13 16.859 2.020 0.377 0.851 0.917 0.667 CA 1.412 13 residues pruned to eliminate duplicates Z: 14 25.585 2.024 0.838 0.942 1.000 0.462 CB 1.322 14 residues pruned to eliminate duplicates Z: 19 33.228 1.933 0.915 0.868 1.000 0.833 CB 1.547 19 residues pruned to eliminate duplicates Z: 57 36.037 2.048 0.594 0.551 0.964 0.696 CB 1.457 57 residues pruned to eliminate duplicates Z: 45 33.418 1.993 0.635 0.780 0.909 0.500 CB 1.329 45 residues pruned to eliminate duplicates Z: 12 24.560 2.110 0.621 0.902 1.000 0.909 CB 1.544 12 residues pruned to eliminate duplicates Z: 9 5.595 1.699 0.213 0.641 0.875 0.375 CB 0.961 9 residues pruned to eliminate duplicates Z: 19 18.037 1.805 0.415 0.833 0.944 0.778 CA 1.322 19 residues pruned to eliminate duplicates Z: 17 23.215 2.071 0.579 0.892 1.000 0.688 CA 1.275 17 residues pruned to eliminate duplicates Z: 9 17.693 2.198 0.994 0.528 1.000 0.875 CB 1.389 8 residues pruned to eliminate duplicates Z: 19 30.684 1.889 1.022 0.846 0.944 0.667 CB 1.490 19 residues pruned to eliminate duplicates Z: 11 18.930 2.032 0.665 0.916 0.900 0.600 CB 1.388 11 residues pruned to eliminate duplicates Z: 12 18.310 1.904 0.440 0.888 1.000 0.818 CA 1.450 12 residues pruned to eliminate duplicates Z: 14 16.574 2.014 0.415 0.926 1.000 1.000 CA 1.131 14 residues pruned to eliminate duplicates Z: 18 17.368 1.789 0.319 0.851 1.000 0.647 CA 1.321 15 residues pruned to eliminate duplicates Z: 19 22.564 1.858 0.583 0.891 0.944 0.556 CB 1.376 19 residues pruned to eliminate duplicates Z: 20 35.003 2.213 0.904 0.886 0.947 0.895 CB 1.452 20 residues pruned to eliminate duplicates Z: 20 21.776 1.904 0.560 0.926 1.000 0.526 CB 1.180 20 residues pruned to eliminate duplicates Z: 18 29.398 1.962 0.793 0.889 1.000 0.647 CA 1.459 18 residues pruned to eliminate duplicates Z: 93 44.173 1.987 0.751 0.653 0.880 0.533 CB 1.304 90 residues pruned to eliminate duplicates Z: 14 24.741 2.036 0.731 0.926 0.923 0.846 CA 1.480 14 residues pruned to eliminate duplicates Z: 14 17.646 1.834 0.463 0.867 1.000 0.615 CA 1.334 14 residues pruned to eliminate duplicates Z: 19 17.802 1.966 0.656 0.945 0.722 0.500 CB 1.236 19 residues pruned to eliminate duplicates Z: 19 19.475 1.943 0.462 0.903 0.944 0.444 CB 1.219 19 residues pruned to eliminate duplicates Z: 12 12.088 1.938 0.068 0.871 1.000 0.636 CA 1.284 12 residues pruned to eliminate duplicates Z: 14 11.283 2.019 0.406 0.450 0.846 0.615 CA 1.371 14 residues pruned to eliminate duplicates Z: 16 20.818 1.884 0.438 0.893 1.000 0.600 CB 1.424 16 residues pruned to eliminate duplicates Z: 20 34.340 2.277 0.631 0.912 1.000 0.947 CA 1.503 20 residues pruned to eliminate duplicates Z: 10 19.092 2.196 0.632 0.917 0.889 0.444 CB 1.410 10 residues pruned to eliminate duplicates Z: 18 16.762 1.728 0.412 0.891 1.000 0.824 CA 1.198 18 residues pruned to eliminate duplicates Z: 13 19.234 2.066 0.362 0.857 0.917 0.917 CA 1.586 13 residues pruned to eliminate duplicates Z: 18 20.138 1.751 0.483 0.913 1.000 0.765 CA 1.331 18 residues pruned to eliminate duplicates Z: 71 37.878 2.034 0.540 0.660 0.900 0.657 CB 1.384 71 residues pruned to eliminate duplicates Z: 13 29.173 2.195 0.856 0.878 1.000 0.750 CB 1.501 13 residues pruned to eliminate duplicates Z: 13 31.146 2.139 0.838 0.917 1.000 0.833 CA 1.614 13 residues pruned to eliminate duplicates Z: 12 16.374 1.890 0.797 0.925 1.000 0.727 CB 1.020 12 residues pruned to eliminate duplicates Z: 6 5.511 1.657 0.553 0.711 1.000 0.600 CB 0.791 Z: 11 16.333 2.028 0.649 0.915 0.900 0.600 CB 1.212 11 residues pruned to eliminate duplicates Z: 17 31.419 2.142 0.994 0.907 0.938 0.875 CB 1.394 18 residues pruned to eliminate duplicates Z: 12 12.304 1.893 0.044 0.890 1.000 0.818 CB 1.351 12 residues pruned to eliminate duplicates Z: 12 16.513 2.006 0.504 0.909 0.909 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 12 21.761 1.896 1.013 0.841 1.000 0.273 CB 1.282 12 residues pruned to eliminate duplicates Z: 13 20.179 1.986 0.581 0.879 1.000 0.833 CB 1.345 13 residues pruned to eliminate duplicates Z: 67 43.156 2.170 0.607 0.553 0.939 0.576 CB 1.539 67 residues pruned to eliminate duplicates Z: 20 24.530 1.812 0.844 0.796 0.947 0.368 CA 1.371 20 residues pruned to eliminate duplicates Z: 12 26.693 2.114 0.623 0.921 1.000 0.909 CB 1.651 12 residues pruned to eliminate duplicates Z: 24 19.430 2.034 0.656 0.623 0.826 0.609 CB 1.296 24 residues pruned to eliminate duplicates Z: 10 10.488 1.811 0.188 0.861 1.000 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 13 25.980 2.012 0.963 0.844 0.917 0.667 CA 1.542 13 residues pruned to eliminate duplicates Z: 61 40.174 1.973 0.765 0.751 0.883 0.617 CB 1.347 61 residues pruned to eliminate duplicates Z: 6 3.815 1.589 0.384 0.452 0.800 0.400 CA 1.018 Z: 14 19.233 1.904 0.429 0.846 1.000 0.692 CB 1.457 14 residues pruned to eliminate duplicates Z: 18 19.984 1.871 0.286 0.898 1.000 0.529 CA 1.441 18 residues pruned to eliminate duplicates Z: 12 19.544 2.100 0.696 0.875 0.909 0.909 CB 1.324 12 residues pruned to eliminate duplicates Z: 45 32.446 2.161 0.561 0.569 0.909 0.568 CB 1.492 45 residues pruned to eliminate duplicates Z: 17 26.856 1.951 0.860 0.932 0.938 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 18 29.748 1.981 1.022 0.866 0.882 0.353 CB 1.495 18 residues pruned to eliminate duplicates Z: 33 38.287 2.033 0.769 0.777 0.938 0.594 CB 1.572 33 residues pruned to eliminate duplicates Z: 11 7.038 1.794 0.214 0.371 1.000 0.600 CB 1.173 11 residues pruned to eliminate duplicates Z: 14 16.468 1.908 0.669 0.841 0.769 0.231 CB 1.391 14 residues pruned to eliminate duplicates Z: 27 16.243 2.065 0.450 0.530 0.692 0.462 CB 1.491 27 residues pruned to eliminate duplicates Z: 19 7.396 1.637 0.638 0.244 0.722 0.444 CB 1.210 Z: 17 29.343 1.947 0.836 0.932 1.000 0.438 CB 1.433 17 residues pruned to eliminate duplicates Z: 130 61.917 2.047 0.755 0.691 0.922 0.698 CB 1.381 117 residues pruned to eliminate duplicates Z: 13 22.031 1.981 0.602 0.856 1.000 0.667 CA 1.478 13 residues pruned to eliminate duplicates Z: 14 30.097 2.007 0.945 0.895 1.000 0.615 CB 1.533 14 residues pruned to eliminate duplicates Z: 18 24.334 1.842 0.675 0.911 0.941 0.765 CA 1.441 18 residues pruned to eliminate duplicates Z: 17 24.320 1.928 0.514 0.916 1.000 0.688 CA 1.470 17 residues pruned to eliminate duplicates Z: 8 14.762 1.850 0.970 0.520 1.000 0.286 N 1.501 12 residues pruned to eliminate duplicates Z: 18 17.085 1.740 0.331 0.889 1.000 0.765 CB 1.288 18 residues pruned to eliminate duplicates Z: 13 16.251 2.035 0.405 0.829 0.917 0.583 CB 1.347 13 residues pruned to eliminate duplicates Z: 20 23.382 2.176 0.308 0.888 1.000 0.737 CA 1.357 20 residues pruned to eliminate duplicates Z: 15 11.475 1.762 0.487 0.899 0.929 0.786 CB 0.901 15 residues pruned to eliminate duplicates Z: 19 19.986 1.913 0.480 0.908 0.944 0.778 CB 1.251 19 residues pruned to eliminate duplicates Z: 32 19.039 1.948 0.431 0.648 0.839 0.710 CB 1.274 32 residues pruned to eliminate duplicates Z: 7 7.399 1.787 0.178 0.830 0.833 0.833 CB 1.295 7 residues pruned to eliminate duplicates Z: 17 21.640 1.999 0.439 0.915 1.000 0.688 CB 1.329 17 residues pruned to eliminate duplicates Z: 59 40.712 2.129 0.679 0.571 0.931 0.517 CB 1.499 59 residues pruned to eliminate duplicates Z: 8 12.921 2.060 0.650 0.541 1.000 0.714 CB 1.381 9 residues pruned to eliminate duplicates Z: 14 14.343 2.039 -0.007 0.719 1.000 0.769 CA 1.611 14 residues pruned to eliminate duplicates Z: 19 40.963 2.334 0.972 0.910 0.944 0.611 CA 1.575 19 residues pruned to eliminate duplicates Z: 18 20.933 1.752 0.650 0.916 1.000 0.647 CB 1.241 18 residues pruned to eliminate duplicates Z: 10 23.008 2.074 1.070 0.756 1.000 1.000 CA 1.422 10 residues pruned to eliminate duplicates Z: 17 36.694 2.140 1.294 0.904 0.938 0.625 CB 1.420 17 residues pruned to eliminate duplicates Z: 9 12.491 1.843 0.499 0.788 1.000 0.500 CB 1.241 8 residues pruned to eliminate duplicates Z: 13 21.486 1.975 0.748 0.832 0.917 0.667 CB 1.471 13 residues pruned to eliminate duplicates Z: 18 19.027 1.739 0.724 0.894 0.882 0.412 CB 1.252 18 residues pruned to eliminate duplicates Z: 62 34.499 2.088 0.674 0.557 0.869 0.557 CB 1.376 62 residues pruned to eliminate duplicates Z: 7 9.277 1.855 0.541 0.571 0.833 0.833 N 1.485 7 residues pruned to eliminate duplicates Z: 14 9.076 1.904 0.650 0.214 0.846 0.615 CB 1.325 14 residues pruned to eliminate duplicates Z: 31 28.271 2.117 0.591 0.630 0.967 0.500 CB 1.403 31 residues pruned to eliminate duplicates Z: 32 31.228 2.101 0.762 0.632 0.968 0.710 CA 1.383 33 residues pruned to eliminate duplicates Z: 20 39.422 2.227 1.086 0.894 0.947 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 20 20.352 1.893 0.323 0.927 1.000 0.842 CB 1.306 20 residues pruned to eliminate duplicates Z: 18 23.049 1.900 0.678 0.850 0.941 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 15 17.889 1.824 0.388 0.895 1.000 0.500 CB 1.354 15 residues pruned to eliminate duplicates Z: 65 48.605 2.100 0.620 0.768 0.969 0.656 CB 1.454 65 residues pruned to eliminate duplicates Z: 21 33.015 2.157 0.889 0.844 0.900 0.700 CA 1.497 21 residues pruned to eliminate duplicates Z: 11 13.357 1.980 0.137 0.881 1.000 0.900 CA 1.358 11 residues pruned to eliminate duplicates Z: 17 33.816 1.996 1.030 0.904 1.000 0.875 CB 1.486 17 residues pruned to eliminate duplicates Z: 6 6.979 1.592 0.735 0.799 0.800 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 18 18.259 1.949 0.226 0.851 0.941 0.765 CA 1.457 18 residues pruned to eliminate duplicates Z: 30 32.288 2.167 0.643 0.615 1.000 0.621 CB 1.510 30 residues pruned to eliminate duplicates Z: 14 22.706 1.930 0.711 0.908 1.000 0.769 CA 1.354 14 residues pruned to eliminate duplicates Z: 17 23.259 1.833 0.618 0.911 1.000 0.562 CB 1.390 17 residues pruned to eliminate duplicates Z: 147 66.655 2.071 0.748 0.638 0.938 0.562 CB 1.427 157 residues pruned to eliminate duplicates Z: 13 18.118 1.838 0.462 0.893 1.000 0.917 CA 1.398 13 residues pruned to eliminate duplicates Z: 18 29.125 1.976 0.870 0.869 0.941 0.588 CA 1.484 18 residues pruned to eliminate duplicates Z: 10 12.301 2.050 0.772 0.300 1.000 0.778 CB 1.411 10 residues pruned to eliminate duplicates Z: 20 32.720 2.153 1.024 0.758 0.947 0.789 CB 1.445 20 residues pruned to eliminate duplicates Z: 59 46.237 2.169 0.908 0.590 0.914 0.552 CB 1.473 59 residues pruned to eliminate duplicates Z: 15 13.245 1.816 0.150 0.896 0.929 0.714 CB 1.307 15 residues pruned to eliminate duplicates Z: 18 20.633 1.739 0.778 0.900 0.941 0.588 CB 1.228 19 residues pruned to eliminate duplicates Z: 18 29.695 2.043 0.965 0.915 0.941 0.353 CB 1.347 18 residues pruned to eliminate duplicates Z: 17 31.972 1.921 1.008 0.943 1.000 0.312 CB 1.436 17 residues pruned to eliminate duplicates Z: 67 41.172 2.041 0.605 0.724 0.909 0.606 CB 1.390 67 residues pruned to eliminate duplicates Z: 17 29.663 1.942 0.877 0.940 0.938 0.375 CB 1.507 17 residues pruned to eliminate duplicates Z: 21 20.223 1.980 0.545 0.814 0.900 0.450 CB 1.249 21 residues pruned to eliminate duplicates Z: 12 21.332 1.939 0.791 0.865 1.000 0.636 CA 1.357 12 residues pruned to eliminate duplicates Z: 6 8.147 1.860 0.213 0.612 1.000 0.600 CA 1.452 6 residues pruned to eliminate duplicates Z: 15 21.478 1.810 0.664 0.918 1.000 0.429 CB 1.344 15 residues pruned to eliminate duplicates Z: 17 27.165 2.078 0.791 0.908 0.938 0.562 CA 1.383 17 residues pruned to eliminate duplicates Z: 8 4.741 1.783 0.199 0.553 1.000 0.857 CB 0.796 Z: 10 10.749 1.665 0.638 0.885 0.889 0.667 CB 1.067 11 residues pruned to eliminate duplicates Z: 7 3.291 1.756 0.213 0.473 0.833 0.833 CB 0.778 7 residues pruned to eliminate duplicates Z: 6 5.117 1.761 -0.170 0.759 1.000 0.800 O 1.244 Z: 17 39.612 2.237 0.928 0.923 1.000 0.812 CA 1.613 17 residues pruned to eliminate duplicates Z: 9 7.663 1.775 0.365 0.521 0.875 0.750 CA 1.252 9 residues pruned to eliminate duplicates Z: 12 15.841 2.100 0.376 0.809 0.818 0.636 CB 1.543 12 residues pruned to eliminate duplicates Z: 13 25.422 2.114 0.764 0.909 0.917 0.583 CB 1.524 13 residues pruned to eliminate duplicates Z: 28 23.234 1.992 0.630 0.634 0.852 0.556 CB 1.426 28 residues pruned to eliminate duplicates Z: 12 22.954 2.143 0.742 0.888 1.000 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 16 19.840 1.977 0.201 0.912 1.000 0.933 CB 1.528 16 residues pruned to eliminate duplicates Z: 45 28.002 2.079 0.450 0.594 0.955 0.682 CB 1.341 45 residues pruned to eliminate duplicates Z: 72 41.200 2.013 0.575 0.706 0.901 0.592 CB 1.419 72 residues pruned to eliminate duplicates Z: 16 11.847 1.851 0.413 0.318 0.933 0.533 CB 1.533 16 residues pruned to eliminate duplicates 7 1.103 1.383 -0.307 0.606 0.833 0.667 CB 0.509 ? Z: 16 17.610 2.001 0.620 0.919 0.800 0.200 CB 1.236 16 residues pruned to eliminate duplicates Z: 8 8.485 1.993 -0.081 0.781 1.000 0.571 CB 1.367 Z: 12 12.336 1.820 0.698 0.439 0.909 0.636 N 1.410 12 residues pruned to eliminate duplicates Z: 62 41.995 2.041 0.717 0.732 0.885 0.525 CB 1.406 62 residues pruned to eliminate duplicates Z: 7 5.574 1.528 1.033 0.426 0.833 0.500 CB 0.949 7 residues pruned to eliminate duplicates Z: 10 25.367 2.228 0.686 0.885 1.000 0.778 CB 1.625 10 residues pruned to eliminate duplicates Z: 13 26.043 2.016 0.911 0.875 1.000 0.583 CB 1.420 13 residues pruned to eliminate duplicates Z: 40 21.128 1.799 0.417 0.717 0.897 0.641 CB 1.215 40 residues pruned to eliminate duplicates Z: 20 39.807 2.246 0.974 0.914 1.000 0.684 CA 1.456 20 residues pruned to eliminate duplicates Z: 13 4.208 1.572 0.314 0.203 0.750 0.500 CB 1.116 13 residues pruned to eliminate duplicates Z: 14 11.453 2.171 0.276 0.297 0.923 0.385 CA 1.559 14 residues pruned to eliminate duplicates Z: 18 23.128 1.999 0.681 0.923 0.941 0.765 CB 1.247 19 residues pruned to eliminate duplicates Z: 6 5.659 1.696 0.319 0.600 0.800 0.400 CA 1.286 6 residues pruned to eliminate duplicates Z: 6 4.139 1.759 0.009 0.634 0.800 0.600 CA 1.149 6 residues pruned to eliminate duplicates Z: 27 18.343 1.935 0.196 0.654 0.962 0.769 CB 1.401 27 residues pruned to eliminate duplicates Z: 21 17.252 1.998 0.466 0.564 0.900 0.600 CB 1.375 21 residues pruned to eliminate duplicates Z: 8 6.739 1.609 0.738 0.471 0.857 0.714 CB 1.094 Z: 27 34.384 2.200 0.625 0.782 1.000 0.923 CA 1.472 27 residues pruned to eliminate duplicates Z: 57 43.804 2.182 0.790 0.596 0.929 0.589 CB 1.473 57 residues pruned to eliminate duplicates Z: 26 23.274 1.971 0.865 0.543 0.880 0.680 CB 1.381 26 residues pruned to eliminate duplicates Z: 17 24.760 1.989 0.598 0.898 0.938 0.812 CB 1.486 17 residues pruned to eliminate duplicates Z: 16 23.621 1.917 0.698 0.916 0.933 0.733 CA 1.418 16 residues pruned to eliminate duplicates Z: 11 6.633 1.493 0.138 0.888 1.000 0.900 CB 0.889 11 residues pruned to eliminate duplicates Z: 12 22.027 1.942 0.780 0.882 1.000 0.455 CA 1.390 12 residues pruned to eliminate duplicates Z: 20 18.845 1.821 0.596 0.894 0.842 0.526 CB 1.267 22 residues pruned to eliminate duplicates Z: 32 20.129 1.987 0.426 0.602 0.839 0.677 CB 1.380 39 residues pruned to eliminate duplicates Z: 8 12.504 1.955 0.710 0.900 1.000 0.714 CB 1.010 8 residues pruned to eliminate duplicates Z: 12 4.659 1.642 0.241 0.346 0.727 0.364 CB 1.121 12 residues pruned to eliminate duplicates Z: 19 19.252 2.005 0.172 0.876 1.000 0.778 CA 1.404 19 residues pruned to eliminate duplicates Z: 31 22.830 2.035 0.462 0.750 0.900 0.600 CB 1.245 31 residues pruned to eliminate duplicates Z: 7 2.328 1.388 0.179 0.524 0.833 0.667 CB 0.681 Z: 16 18.346 1.782 0.731 0.881 0.867 0.333 CB 1.284 16 residues pruned to eliminate duplicates Z: 17 19.686 1.932 0.354 0.862 1.000 0.812 CB 1.382 17 residues pruned to eliminate duplicates Z: 12 7.959 1.537 0.299 0.795 1.000 0.818 CB 0.927 11 residues pruned to eliminate duplicates Z: 17 7.975 2.028 0.121 0.359 0.750 0.562 CA 1.360 17 residues pruned to eliminate duplicates Z: 20 19.433 1.881 0.525 0.854 0.895 0.579 CB 1.283 20 residues pruned to eliminate duplicates Z: 11 12.030 1.679 0.592 0.849 1.000 0.700 CB 1.055 11 residues pruned to eliminate duplicates Z: 37 23.078 1.915 0.640 0.464 0.917 0.583 CB 1.385 37 residues pruned to eliminate duplicates Z: 6 2.605 1.092 0.381 0.469 1.000 0.800 CA 0.797 Z: 13 11.807 1.741 0.551 0.530 0.917 0.333 CB 1.337 13 residues pruned to eliminate duplicates Z: 10 12.055 2.265 0.468 0.570 0.778 0.556 CB 1.453 8 residues pruned to eliminate duplicates Z: 37 27.479 2.203 0.483 0.469 0.944 0.583 CB 1.531 37 residues pruned to eliminate duplicates Z: 54 31.191 2.040 0.612 0.566 0.887 0.509 CB 1.378 54 residues pruned to eliminate duplicates 6 0.542 1.008 0.573 0.496 0.800 0.600 CB 0.192 ? Z: 20 36.909 2.224 0.851 0.895 0.947 0.474 CA 1.556 20 residues pruned to eliminate duplicates Z: 9 15.837 2.079 0.656 0.607 1.000 0.750 CA 1.469 9 residues pruned to eliminate duplicates Z: 6 2.035 1.501 -0.018 0.445 0.800 0.400 CA 0.817 Z: 17 17.883 1.984 0.112 0.884 1.000 0.812 CB 1.464 17 residues pruned to eliminate duplicates Z: 48 34.420 1.985 0.653 0.608 0.979 0.723 CB 1.412 48 residues pruned to eliminate duplicates Z: 20 34.839 2.188 0.931 0.882 0.947 0.474 CA 1.444 20 residues pruned to eliminate duplicates Z: 51 29.125 2.081 0.593 0.519 0.860 0.460 CB 1.418 51 residues pruned to eliminate duplicates Z: 12 7.463 1.731 0.288 0.360 1.000 0.545 CB 1.174 12 residues pruned to eliminate duplicates Z: 6 9.197 2.045 0.096 0.885 1.000 1.000 CB 1.324 6 residues pruned to eliminate duplicates Z: 17 9.299 1.730 0.815 0.343 0.750 0.438 CB 1.171 22 residues pruned to eliminate duplicates Z: 12 13.234 1.818 0.233 0.899 1.000 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 9 5.994 1.795 0.311 0.352 0.875 0.500 CA 1.207 9 residues pruned to eliminate duplicates Z: 15 19.555 2.017 0.452 0.758 1.000 0.571 CB 1.419 15 residues pruned to eliminate duplicates Z: 8 8.370 2.065 0.437 0.696 0.714 0.286 CB 1.248 9 residues pruned to eliminate duplicates Z: 20 22.064 2.152 0.555 0.699 1.000 0.895 CB 1.263 20 residues pruned to eliminate duplicates Z: 7 4.610 1.641 0.525 0.393 0.667 0.500 CB 1.264 7 residues pruned to eliminate duplicates Z: 18 28.406 1.899 0.817 0.916 1.000 0.529 CA 1.410 18 residues pruned to eliminate duplicates Z: 13 17.024 2.011 0.669 0.849 0.833 0.667 CB 1.302 13 residues pruned to eliminate duplicates Z: 9 9.602 1.734 0.531 0.902 1.000 0.750 CB 0.912 9 residues pruned to eliminate duplicates Z: 45 30.524 2.020 0.658 0.559 0.909 0.727 CB 1.426 45 residues pruned to eliminate duplicates Z: 18 24.904 1.902 0.819 0.934 0.941 0.412 CB 1.294 18 residues pruned to eliminate duplicates Z: 44 31.694 1.908 0.642 0.783 0.930 0.512 CB 1.293 44 residues pruned to eliminate duplicates Z: 9 7.105 1.996 0.161 0.758 0.875 0.750 CB 0.985 9 residues pruned to eliminate duplicates Z: 35 31.526 2.038 0.743 0.587 0.941 0.618 CB 1.487 35 residues pruned to eliminate duplicates Z: 17 25.167 1.941 0.566 0.915 1.000 0.875 CB 1.463 17 residues pruned to eliminate duplicates Z: 11 24.676 1.951 1.119 0.925 1.000 0.800 CB 1.325 11 residues pruned to eliminate duplicates Z: 6 6.001 1.656 0.123 0.693 1.000 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 12 16.404 2.015 0.311 0.891 1.000 0.818 CB 1.347 12 residues pruned to eliminate duplicates Z: 18 23.192 1.878 0.682 0.871 0.941 0.706 CA 1.380 18 residues pruned to eliminate duplicates Z: 15 8.912 1.714 0.328 0.555 0.929 0.500 CB 1.068 15 residues pruned to eliminate duplicates Z: 21 27.998 2.065 0.871 0.692 0.900 0.750 CB 1.511 21 residues pruned to eliminate duplicates Z: 36 33.011 1.955 0.751 0.714 0.914 0.457 CB 1.468 37 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 15.135 2.256 0.394 0.853 0.818 0.364 CB 1.311 9 residues pruned to eliminate duplicates Z: 7 14.019 2.036 0.270 0.885 1.000 0.833 CA 1.598 6 residues pruned to eliminate duplicates Z: 12 18.489 2.260 0.419 0.831 1.000 0.364 CB 1.305 12 residues pruned to eliminate duplicates Z: 9 17.104 2.118 0.432 0.726 1.000 0.500 CB 1.626 10 residues pruned to eliminate duplicates Z: 7 22.321 2.286 0.787 0.886 1.000 0.667 CA 1.610 7 residues pruned to eliminate duplicates Z: 10 18.495 1.913 0.893 0.833 1.000 0.667 CA 1.277 9 residues pruned to eliminate duplicates Z: 12 7.780 1.585 -0.006 0.897 1.000 0.818 CB 1.065 12 residues pruned to eliminate duplicates Z: 12 7.385 1.484 0.209 0.846 0.909 0.818 CB 1.014 12 residues pruned to eliminate duplicates Z: 12 10.742 1.739 0.431 0.781 0.909 0.636 CB 1.117 12 residues pruned to eliminate duplicates Z: 11 11.952 1.727 0.406 0.816 1.000 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 13 9.148 1.574 0.521 0.784 0.917 0.750 CB 0.936 13 residues pruned to eliminate duplicates Z: 12 12.341 1.673 0.482 0.884 1.000 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 12 12.243 1.767 0.526 0.806 0.909 0.818 CB 1.153 12 residues pruned to eliminate duplicates Z: 12 10.999 1.734 0.541 0.762 0.909 0.818 CB 1.082 12 residues pruned to eliminate duplicates Z: 13 10.874 1.805 0.428 0.708 0.917 0.583 CB 1.100 14 residues pruned to eliminate duplicates Z: 12 9.557 1.590 0.280 0.855 1.000 0.636 CB 1.045 12 residues pruned to eliminate duplicates Z: 12 9.765 1.716 0.404 0.766 0.909 0.636 CB 1.062 12 residues pruned to eliminate duplicates Z: 11 13.440 2.040 0.864 0.407 1.000 0.600 CB 1.232 11 residues pruned to eliminate duplicates Z: 9 13.959 2.227 0.790 0.451 1.000 0.750 CB 1.302 8 residues pruned to eliminate duplicates Z: 6 5.574 1.897 0.844 0.246 0.800 0.400 CA 1.194 6 residues pruned to eliminate duplicates Z: 9 11.787 2.266 0.568 0.352 1.000 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 6 4.244 1.561 0.834 0.352 0.800 0.600 CA 0.973 6 residues pruned to eliminate duplicates Z: 10 10.450 2.086 0.605 0.311 0.889 0.667 CB 1.443 10 residues pruned to eliminate duplicates Z: 29 36.371 2.135 0.834 0.749 1.000 0.821 CA 1.405 29 residues pruned to eliminate duplicates Z: 27 31.530 2.220 0.545 0.745 0.962 0.885 CA 1.506 27 residues pruned to eliminate duplicates Z: 27 37.829 2.237 0.712 0.741 1.000 0.769 CA 1.561 27 residues pruned to eliminate duplicates Z: 6 3.224 1.633 0.188 0.275 0.800 0.400 CB 1.198 6 residues pruned to eliminate duplicates Z: 28 34.705 2.153 0.732 0.751 0.963 0.704 CB 1.487 28 residues pruned to eliminate duplicates Z: 27 36.234 2.204 0.675 0.757 1.000 0.808 CA 1.530 27 residues pruned to eliminate duplicates Z: 27 37.897 2.224 0.788 0.768 0.962 0.769 CA 1.533 27 residues pruned to eliminate duplicates Z: 22 30.460 2.197 0.556 0.809 1.000 0.714 CA 1.485 22 residues pruned to eliminate duplicates Z: 27 37.406 2.241 0.697 0.753 1.000 0.769 CA 1.539 27 residues pruned to eliminate duplicates Z: 27 35.409 2.227 0.584 0.754 1.000 0.808 CA 1.570 27 residues pruned to eliminate duplicates Z: 29 34.307 2.126 0.710 0.724 0.964 0.679 CA 1.511 29 residues pruned to eliminate duplicates Z: 29 33.260 2.136 0.614 0.726 1.000 0.714 CA 1.486 28 residues pruned to eliminate duplicates Z: 19 40.465 2.341 0.989 0.906 0.944 0.833 CA 1.543 19 residues pruned to eliminate duplicates Z: 29 26.395 2.059 0.500 0.690 0.964 0.714 CA 1.408 29 residues pruned to eliminate duplicates Z: 27 37.087 2.234 0.710 0.751 1.000 0.808 CA 1.522 27 residues pruned to eliminate duplicates Z: 27 36.749 2.226 0.669 0.768 1.000 0.885 CA 1.530 28 residues pruned to eliminate duplicates Z: 20 35.314 2.215 0.806 0.862 1.000 0.737 CA 1.487 20 residues pruned to eliminate duplicates Z: 28 36.895 2.176 0.750 0.725 1.000 0.815 CA 1.522 28 residues pruned to eliminate duplicates Z: 20 36.077 2.265 0.852 0.906 0.947 0.632 CA 1.481 20 residues pruned to eliminate duplicates Z: 27 44.804 2.219 0.975 0.778 1.000 0.731 CB 1.569 28 residues pruned to eliminate duplicates Z: 19 49.132 2.341 1.188 0.906 1.000 0.889 CB 1.608 19 residues pruned to eliminate duplicates Z: 24 31.771 2.112 1.008 0.707 0.913 0.609 CB 1.418 24 residues pruned to eliminate duplicates Z: 28 41.473 2.173 0.966 0.753 0.963 0.630 CA 1.549 28 residues pruned to eliminate duplicates Z: 20 43.885 2.233 1.200 0.903 0.947 0.632 CB 1.542 20 residues pruned to eliminate duplicates Z: 28 42.479 2.159 0.989 0.754 1.000 0.667 CB 1.519 28 residues pruned to eliminate duplicates Z: 29 38.303 2.114 0.901 0.752 0.964 0.714 CB 1.491 29 residues pruned to eliminate duplicates Z: 29 37.189 2.105 0.901 0.758 0.929 0.750 CB 1.503 29 residues pruned to eliminate duplicates Z: 17 14.353 1.796 0.362 0.733 0.938 0.625 CA 1.269 17 residues pruned to eliminate duplicates Z: 18 13.672 1.797 0.484 0.646 0.882 0.588 CA 1.229 13 residues pruned to eliminate duplicates Z: 14 19.964 1.864 0.567 0.882 1.000 0.538 CB 1.372 14 residues pruned to eliminate duplicates Z: 25 19.517 1.684 0.660 0.722 0.958 0.667 CB 1.217 23 residues pruned to eliminate duplicates Z: 14 18.722 1.846 0.644 0.863 0.923 0.308 CB 1.360 14 residues pruned to eliminate duplicates Z: 19 16.399 1.731 0.650 0.725 0.889 0.333 CB 1.243 19 residues pruned to eliminate duplicates Z: 18 22.287 1.777 0.648 0.794 1.000 0.471 CB 1.425 18 residues pruned to eliminate duplicates Z: 19 15.656 1.745 0.687 0.606 0.944 0.222 CA 1.200 19 residues pruned to eliminate duplicates Z: 29 13.623 1.766 0.607 0.386 0.786 0.250 CB 1.303 29 residues pruned to eliminate duplicates Z: 21 21.559 1.749 0.895 0.752 0.900 0.400 CB 1.291 21 residues pruned to eliminate duplicates Z: 18 18.975 1.756 0.676 0.888 0.882 0.294 CB 1.277 18 residues pruned to eliminate duplicates Z: 8 5.156 1.514 0.541 0.559 0.714 0.143 CB 1.104 8 residues pruned to eliminate duplicates Z: 20 20.453 1.769 0.731 0.758 1.000 0.421 CB 1.218 20 residues pruned to eliminate duplicates Z: 32 18.758 1.751 0.603 0.559 0.903 0.484 CB 1.255 32 residues pruned to eliminate duplicates Z: 27 20.194 1.819 0.631 0.624 0.923 0.308 CB 1.286 28 residues pruned to eliminate duplicates Z: 13 17.144 1.682 1.010 0.921 0.917 0.333 CB 1.124 13 residues pruned to eliminate duplicates Z: 18 22.101 1.765 0.739 0.907 1.000 0.294 CB 1.241 18 residues pruned to eliminate duplicates Z: 10 7.444 1.726 0.343 0.411 0.889 0.667 CA 1.322 10 residues pruned to eliminate duplicates Z: 17 11.261 2.015 0.712 0.311 0.812 0.375 CB 1.239 17 residues pruned to eliminate duplicates Z: 33 24.659 1.969 0.721 0.619 0.875 0.625 CB 1.313 31 residues pruned to eliminate duplicates Z: 8 7.529 1.846 0.573 0.289 0.857 0.143 CA 1.448 8 residues pruned to eliminate duplicates Z: 36 23.233 1.892 0.674 0.650 0.886 0.600 CB 1.217 36 residues pruned to eliminate duplicates Z: 28 19.364 1.961 0.613 0.657 0.852 0.667 CB 1.196 28 residues pruned to eliminate duplicates Z: 21 14.327 1.866 0.513 0.532 0.850 0.500 CB 1.293 21 residues pruned to eliminate duplicates Z: 25 21.890 1.939 0.563 0.689 0.917 0.792 CB 1.352 24 residues pruned to eliminate duplicates Z: 20 16.353 1.893 0.177 0.904 1.000 0.684 CB 1.199 20 residues pruned to eliminate duplicates Z: 20 17.229 1.917 0.346 0.844 0.947 0.684 CB 1.203 20 residues pruned to eliminate duplicates Z: 19 18.439 1.934 0.275 0.901 0.944 0.778 CB 1.332 19 residues pruned to eliminate duplicates Z: 28 17.941 1.878 0.421 0.691 0.926 0.481 CB 1.173 28 residues pruned to eliminate duplicates Z: 21 20.798 1.866 0.729 0.876 0.950 0.500 CB 1.103 21 residues pruned to eliminate duplicates Z: 20 20.796 1.885 0.668 0.942 0.895 0.421 CB 1.175 20 residues pruned to eliminate duplicates Z: 22 18.695 1.863 0.662 0.846 0.905 0.524 CB 1.081 20 residues pruned to eliminate duplicates Z: 12 16.378 1.945 0.818 0.908 0.909 0.818 CB 1.091 12 residues pruned to eliminate duplicates Z: 27 23.884 2.019 0.849 0.670 0.885 0.462 CB 1.213 27 residues pruned to eliminate duplicates Z: 23 23.119 1.982 0.626 0.774 0.909 0.545 CB 1.320 23 residues pruned to eliminate duplicates Z: 26 22.516 2.006 0.750 0.705 0.880 0.480 CB 1.210 26 residues pruned to eliminate duplicates Z: 26 29.151 2.019 0.734 0.729 1.000 0.400 CB 1.356 33 residues pruned to eliminate duplicates Z: 20 23.557 1.938 0.785 0.912 0.947 0.368 CB 1.167 23 residues pruned to eliminate duplicates Z: 12 17.473 1.938 1.026 0.897 0.909 0.636 CB 1.057 12 residues pruned to eliminate duplicates Z: 33 31.298 2.040 0.558 0.752 0.938 0.719 CA 1.484 33 residues pruned to eliminate duplicates Z: 34 33.948 2.020 0.591 0.742 0.970 0.576 CA 1.527 34 residues pruned to eliminate duplicates Z: 35 32.111 2.005 0.604 0.741 0.941 0.647 CA 1.466 35 residues pruned to eliminate duplicates Z: 33 33.696 2.087 0.631 0.753 0.906 0.688 CA 1.542 33 residues pruned to eliminate duplicates Z: 18 31.035 2.032 1.015 0.871 0.941 0.706 CA 1.424 18 residues pruned to eliminate duplicates Z: 17 31.809 2.064 0.912 0.908 0.938 0.688 CA 1.527 17 residues pruned to eliminate duplicates Z: 34 33.353 2.012 0.635 0.736 0.939 0.606 CA 1.519 34 residues pruned to eliminate duplicates Z: 32 32.409 2.057 0.489 0.780 0.935 0.613 CA 1.587 32 residues pruned to eliminate duplicates Z: 33 33.720 2.034 0.539 0.745 0.969 0.594 CA 1.578 33 residues pruned to eliminate duplicates Z: 18 30.147 2.028 0.926 0.870 0.882 0.353 CA 1.548 18 residues pruned to eliminate duplicates Z: 33 31.991 1.981 0.648 0.760 0.906 0.375 CA 1.516 33 residues pruned to eliminate duplicates Z: 33 35.479 2.019 0.691 0.752 0.969 0.500 CA 1.514 33 residues pruned to eliminate duplicates Z: 28 31.133 2.012 0.706 0.795 0.889 0.481 CB 1.516 28 residues pruned to eliminate duplicates Z: 32 34.707 2.038 0.718 0.760 0.935 0.548 CA 1.510 32 residues pruned to eliminate duplicates Z: 19 27.982 2.002 1.051 0.802 0.889 0.333 CA 1.388 19 residues pruned to eliminate duplicates Z: 34 32.259 2.029 0.587 0.731 0.909 0.364 CA 1.557 34 residues pruned to eliminate duplicates Z: 33 35.126 2.064 0.601 0.759 0.938 0.688 CA 1.593 33 residues pruned to eliminate duplicates Z: 14 14.479 1.885 0.105 0.817 1.000 0.692 CA 1.464 14 residues pruned to eliminate duplicates Z: 34 31.427 1.992 0.593 0.722 0.939 0.545 CA 1.502 34 residues pruned to eliminate duplicates Z: 33 31.210 2.024 0.505 0.758 0.969 0.750 CA 1.487 33 residues pruned to eliminate duplicates Z: 33 32.432 2.043 0.585 0.757 0.938 0.688 CA 1.503 33 residues pruned to eliminate duplicates Z: 34 34.838 2.029 0.662 0.733 0.970 0.667 CA 1.504 34 residues pruned to eliminate duplicates Z: 32 36.698 2.078 0.669 0.779 0.903 0.581 CB 1.645 32 residues pruned to eliminate duplicates Z: 15 20.221 2.104 0.539 0.617 0.929 0.643 CB 1.609 15 residues pruned to eliminate duplicates Z: 33 37.095 2.068 0.718 0.727 0.938 0.562 CB 1.604 33 residues pruned to eliminate duplicates Z: 18 16.974 1.934 0.439 0.531 0.941 0.529 CB 1.525 18 residues pruned to eliminate duplicates Z: 33 40.569 2.079 0.764 0.748 0.969 0.625 CA 1.617 33 residues pruned to eliminate duplicates Z: 133 58.151 2.088 0.607 0.659 0.902 0.614 CB 1.444 133 residues pruned to eliminate duplicates Z: 47 35.415 2.039 0.528 0.743 0.935 0.565 CB 1.442 47 residues pruned to eliminate duplicates Z: 67 46.370 2.080 0.620 0.746 0.939 0.591 CB 1.448 67 residues pruned to eliminate duplicates Z: 68 45.135 2.042 0.690 0.720 0.925 0.522 CB 1.415 68 residues pruned to eliminate duplicates Z: 65 49.968 2.096 0.712 0.789 0.938 0.625 CB 1.441 65 residues pruned to eliminate duplicates Z: 59 46.232 2.088 0.664 0.774 0.948 0.448 CB 1.446 59 residues pruned to eliminate duplicates Z: 35 29.640 2.112 0.559 0.763 0.912 0.647 CB 1.340 35 residues pruned to eliminate duplicates Z: 61 41.610 2.050 0.634 0.753 0.917 0.483 CB 1.396 61 residues pruned to eliminate duplicates Z: 34 29.530 2.110 0.522 0.785 0.939 0.636 CB 1.327 34 residues pruned to eliminate duplicates Z: 36 28.052 2.076 0.604 0.768 0.886 0.600 CB 1.268 36 residues pruned to eliminate duplicates Z: 41 32.316 2.106 0.515 0.739 0.950 0.525 CB 1.361 41 residues pruned to eliminate duplicates Z: 47 42.674 2.069 0.726 0.776 0.935 0.565 CB 1.477 47 residues pruned to eliminate duplicates Z: 75 45.804 2.030 0.744 0.697 0.905 0.595 CB 1.388 75 residues pruned to eliminate duplicates Z: 67 50.181 2.066 0.732 0.752 0.955 0.621 CB 1.443 67 residues pruned to eliminate duplicates Z: 60 46.608 2.093 0.613 0.793 0.949 0.627 CB 1.464 60 residues pruned to eliminate duplicates Z: 66 47.671 2.078 0.620 0.748 0.969 0.585 CB 1.452 66 residues pruned to eliminate duplicates Z: 65 45.548 2.095 0.619 0.743 0.922 0.484 CB 1.465 65 residues pruned to eliminate duplicates Z: 53 35.354 2.039 0.601 0.701 0.904 0.558 CB 1.383 53 residues pruned to eliminate duplicates Z: 53 44.942 2.097 0.621 0.771 0.981 0.654 CB 1.471 53 residues pruned to eliminate duplicates Z: 52 46.787 2.108 0.651 0.796 0.961 0.569 CB 1.511 52 residues pruned to eliminate duplicates Z: 61 41.576 2.033 0.514 0.768 0.967 0.600 CB 1.422 61 residues pruned to eliminate duplicates Z: 14 15.857 1.958 0.224 0.772 1.000 0.615 CB 1.443 14 residues pruned to eliminate duplicates Z: 66 47.030 2.094 0.574 0.753 0.954 0.600 CB 1.482 66 residues pruned to eliminate duplicates Z: 38 26.486 2.064 0.413 0.759 0.919 0.757 CB 1.290 38 residues pruned to eliminate duplicates Z: 18 17.593 1.990 0.262 0.682 0.941 0.588 CB 1.528 18 residues pruned to eliminate duplicates Z: 46 36.151 2.110 0.578 0.724 0.933 0.733 CB 1.417 46 residues pruned to eliminate duplicates Z: 130 58.806 2.105 0.587 0.669 0.938 0.620 CB 1.414 130 residues pruned to eliminate duplicates Z: 42 33.791 2.108 0.546 0.786 0.976 0.585 CB 1.291 42 residues pruned to eliminate duplicates Z: 122 61.121 2.086 0.644 0.680 0.959 0.653 CB 1.432 122 residues pruned to eliminate duplicates Z: 43 32.981 2.089 0.561 0.772 0.929 0.690 CB 1.322 43 residues pruned to eliminate duplicates Z: 12 18.692 2.095 0.715 0.669 1.000 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 65 43.669 2.045 0.648 0.736 0.938 0.547 CB 1.398 65 residues pruned to eliminate duplicates Z: 65 46.772 2.105 0.627 0.778 0.922 0.547 CB 1.450 65 residues pruned to eliminate duplicates Z: 80 44.831 2.119 0.592 0.605 0.937 0.747 CB 1.445 80 residues pruned to eliminate duplicates Z: 80 44.779 2.052 0.661 0.691 0.911 0.519 CB 1.362 80 residues pruned to eliminate duplicates Z: 137 59.364 2.085 0.598 0.656 0.941 0.640 CB 1.404 137 residues pruned to eliminate duplicates Z: 14 19.619 2.044 0.740 0.721 0.923 0.846 CB 1.358 14 residues pruned to eliminate duplicates Z: 70 36.508 2.096 0.578 0.597 0.870 0.594 CB 1.393 70 residues pruned to eliminate duplicates Z: 69 39.671 2.087 0.680 0.593 0.912 0.632 CB 1.376 69 residues pruned to eliminate duplicates Z: 14 21.913 2.065 0.904 0.711 0.846 0.615 CA 1.508 14 residues pruned to eliminate duplicates Z: 79 34.997 2.038 0.633 0.485 0.910 0.603 CB 1.328 79 residues pruned to eliminate duplicates Z: 80 48.750 2.087 0.703 0.720 0.899 0.608 CB 1.407 80 residues pruned to eliminate duplicates Z: 68 42.747 2.092 0.706 0.597 0.955 0.672 CB 1.397 68 residues pruned to eliminate duplicates Z: 123 63.560 2.099 0.649 0.661 0.984 0.639 CB 1.457 123 residues pruned to eliminate duplicates Z: 14 20.602 2.052 1.016 0.711 0.846 0.769 CA 1.349 14 residues pruned to eliminate duplicates Z: 59 39.044 2.091 0.655 0.559 0.983 0.672 CB 1.424 59 residues pruned to eliminate duplicates Z: 134 60.207 2.082 0.658 0.647 0.932 0.669 CB 1.414 134 residues pruned to eliminate duplicates Z: 57 37.471 2.093 0.586 0.562 0.982 0.643 CB 1.446 57 residues pruned to eliminate duplicates Z: 62 38.771 2.040 0.681 0.577 0.934 0.607 CB 1.439 62 residues pruned to eliminate duplicates Z: 102 53.636 2.111 0.642 0.649 0.950 0.644 CB 1.410 102 residues pruned to eliminate duplicates Z: 84 40.554 2.073 0.553 0.569 0.916 0.663 CB 1.412 84 residues pruned to eliminate duplicates Z: 26 30.868 2.081 0.942 0.662 0.960 0.560 CB 1.369 26 residues pruned to eliminate duplicates Z: 100 50.651 2.109 0.608 0.623 0.949 0.606 CB 1.408 100 residues pruned to eliminate duplicates Z: 52 30.807 2.097 0.546 0.527 0.922 0.627 CB 1.406 52 residues pruned to eliminate duplicates Z: 44 30.154 2.072 0.477 0.540 0.977 0.488 CB 1.480 44 residues pruned to eliminate duplicates Z: 67 37.104 2.091 0.607 0.591 0.894 0.545 CB 1.394 67 residues pruned to eliminate duplicates Z: 70 37.995 2.013 0.676 0.539 0.928 0.623 CB 1.407 70 residues pruned to eliminate duplicates Z: 57 32.229 2.091 0.599 0.558 0.911 0.536 CB 1.337 57 residues pruned to eliminate duplicates Z: 52 30.849 2.116 0.465 0.510 0.941 0.627 CB 1.465 52 residues pruned to eliminate duplicates Z: 76 39.931 2.100 0.508 0.647 0.893 0.480 CB 1.422 76 residues pruned to eliminate duplicates Z: 51 31.886 2.063 0.593 0.542 0.940 0.420 CB 1.402 51 residues pruned to eliminate duplicates Z: 85 47.323 2.037 0.639 0.686 0.917 0.571 CB 1.423 85 residues pruned to eliminate duplicates Z: 53 33.245 2.094 0.605 0.506 0.942 0.577 CB 1.447 53 residues pruned to eliminate duplicates Z: 37 28.181 2.056 0.523 0.503 0.972 0.694 CB 1.539 37 residues pruned to eliminate duplicates Z: 43 31.906 2.148 0.564 0.521 0.929 0.619 CB 1.546 43 residues pruned to eliminate duplicates Z: 83 46.913 2.052 0.600 0.706 0.927 0.585 CB 1.412 83 residues pruned to eliminate duplicates Z: 48 32.183 2.066 0.678 0.591 0.915 0.574 CB 1.357 48 residues pruned to eliminate duplicates Z: 69 39.081 2.108 0.630 0.547 0.926 0.603 CB 1.423 69 residues pruned to eliminate duplicates Z: 67 37.226 2.077 0.604 0.547 0.909 0.591 CB 1.445 67 residues pruned to eliminate duplicates Z: 38 32.823 2.101 0.648 0.552 0.973 0.568 CB 1.522 38 residues pruned to eliminate duplicates Z: 62 41.640 2.059 0.820 0.572 0.902 0.590 CB 1.472 62 residues pruned to eliminate duplicates Z: 67 43.483 2.085 0.730 0.552 0.939 0.606 CB 1.501 67 residues pruned to eliminate duplicates Z: 62 36.978 2.069 0.537 0.550 0.918 0.590 CB 1.544 62 residues pruned to eliminate duplicates Z: 44 32.193 2.102 0.624 0.528 0.953 0.605 CB 1.467 44 residues pruned to eliminate duplicates Z: 65 35.097 2.040 0.620 0.489 0.922 0.609 CB 1.456 65 residues pruned to eliminate duplicates Z: 45 30.143 2.072 0.554 0.555 0.909 0.477 CB 1.471 45 residues pruned to eliminate duplicates Z: 57 37.611 2.103 0.601 0.566 0.946 0.625 CB 1.480 57 residues pruned to eliminate duplicates Z: 39 29.195 2.076 0.594 0.522 0.947 0.658 CB 1.478 39 residues pruned to eliminate duplicates Z: 56 29.542 2.051 0.603 0.523 0.891 0.436 CB 1.329 56 residues pruned to eliminate duplicates Z: 49 28.533 2.100 0.634 0.496 0.854 0.479 CB 1.411 49 residues pruned to eliminate duplicates Z: 32 20.318 2.099 0.549 0.538 0.806 0.516 CB 1.341 32 residues pruned to eliminate duplicates Z: 35 29.782 2.101 0.634 0.494 0.971 0.647 CB 1.543 35 residues pruned to eliminate duplicates Z: 52 32.086 2.121 0.529 0.555 0.922 0.529 CB 1.425 52 residues pruned to eliminate duplicates Z: 63 37.903 2.069 0.683 0.522 0.935 0.516 CB 1.446 63 residues pruned to eliminate duplicates Z: 47 27.694 2.066 0.561 0.551 0.935 0.500 CB 1.288 47 residues pruned to eliminate duplicates Z: 43 27.437 2.106 0.569 0.553 0.857 0.571 CB 1.419 43 residues pruned to eliminate duplicates Z: 46 31.429 2.117 0.634 0.558 0.933 0.578 CB 1.372 46 residues pruned to eliminate duplicates Z: 42 27.775 2.049 0.608 0.470 0.951 0.537 CB 1.426 42 residues pruned to eliminate duplicates Z: 127 55.273 2.096 0.552 0.623 0.929 0.571 CB 1.452 127 residues pruned to eliminate duplicates Z: 70 33.590 2.028 0.585 0.443 0.928 0.565 CB 1.438 70 residues pruned to eliminate duplicates Z: 67 39.935 2.062 0.647 0.530 0.955 0.591 CB 1.473 66 residues pruned to eliminate duplicates Z: 7 7.619 2.001 0.426 0.408 1.000 0.667 CB 1.201 7 residues pruned to eliminate duplicates Z: 73 41.969 2.086 0.607 0.531 0.986 0.569 CB 1.450 73 residues pruned to eliminate duplicates Z: 8 7.517 1.950 0.666 0.538 0.857 0.429 CA 0.983 8 residues pruned to eliminate duplicates Z: 18 12.251 2.106 0.385 0.346 0.824 0.471 CB 1.462 18 residues pruned to eliminate duplicates Z: 26 26.489 2.191 0.616 0.542 0.960 0.600 CA 1.497 26 residues pruned to eliminate duplicates Z: 32 29.472 2.107 0.758 0.626 0.935 0.613 CB 1.357 33 residues pruned to eliminate duplicates Z: 6 4.927 1.962 0.155 0.339 1.000 0.600 CA 1.159 6 residues pruned to eliminate duplicates Z: 20 12.127 2.064 0.364 0.295 0.895 0.526 CB 1.388 20 residues pruned to eliminate duplicates Z: 26 24.768 2.181 0.643 0.521 0.960 0.520 CA 1.410 26 residues pruned to eliminate duplicates Z: 33 26.723 2.118 0.576 0.607 0.906 0.688 CA 1.411 33 residues pruned to eliminate duplicates Z: 32 29.617 2.136 0.612 0.606 0.968 0.742 CA 1.443 32 residues pruned to eliminate duplicates Z: 65 41.436 2.099 0.601 0.551 0.984 0.703 CB 1.490 65 residues pruned to eliminate duplicates Z: 34 25.038 2.078 0.575 0.580 0.909 0.636 CB 1.355 34 residues pruned to eliminate duplicates Z: 28 23.221 2.086 0.632 0.497 1.000 0.593 CA 1.316 28 residues pruned to eliminate duplicates Z: 32 30.679 2.118 0.678 0.643 1.000 0.710 CA 1.356 32 residues pruned to eliminate duplicates Z: 26 26.876 2.169 0.610 0.591 0.960 0.560 CB 1.471 26 residues pruned to eliminate duplicates Z: 27 26.779 2.183 0.583 0.541 1.000 0.615 CA 1.459 27 residues pruned to eliminate duplicates Z: 33 28.732 2.090 0.730 0.622 0.906 0.625 CA 1.382 33 residues pruned to eliminate duplicates Z: 32 33.450 2.136 0.722 0.631 1.000 0.645 CA 1.444 32 residues pruned to eliminate duplicates Z: 128 56.981 2.084 0.655 0.633 0.898 0.528 CB 1.442 128 residues pruned to eliminate duplicates Z: 17 34.356 2.108 1.134 0.908 1.000 0.688 CB 1.356 17 residues pruned to eliminate duplicates Z: 32 33.355 2.126 0.700 0.657 0.968 0.645 CA 1.480 32 residues pruned to eliminate duplicates Z: 16 32.801 2.123 1.212 0.905 0.933 0.800 CB 1.375 16 residues pruned to eliminate duplicates Z: 86 44.869 2.081 0.658 0.570 0.918 0.659 CB 1.437 86 residues pruned to eliminate duplicates Z: 26 26.165 2.061 0.987 0.675 0.880 0.520 CB 1.236 26 residues pruned to eliminate duplicates Z: 32 19.082 1.839 0.534 0.649 0.871 0.677 CB 1.214 32 residues pruned to eliminate duplicates Z: 16 12.656 1.945 0.235 0.612 0.933 0.400 CA 1.311 16 residues pruned to eliminate duplicates Z: 19 16.392 1.904 0.199 0.785 0.944 0.556 CA 1.394 19 residues pruned to eliminate duplicates Z: 32 19.851 1.820 0.469 0.618 0.903 0.581 CA 1.321 32 residues pruned to eliminate duplicates Z: 17 20.865 1.968 0.432 0.851 0.938 0.750 CB 1.461 17 residues pruned to eliminate duplicates Z: 43 27.315 1.878 0.459 0.708 0.976 0.667 CB 1.305 43 residues pruned to eliminate duplicates Z: 18 28.212 1.986 0.773 0.872 0.941 0.765 CB 1.506 18 residues pruned to eliminate duplicates Z: 16 27.355 2.005 0.825 0.868 0.933 0.533 CB 1.512 16 residues pruned to eliminate duplicates Z: 18 22.907 1.922 0.703 0.833 0.882 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 46 25.223 1.803 0.621 0.641 0.911 0.533 CB 1.237 46 residues pruned to eliminate duplicates Z: 17 26.939 1.987 0.798 0.880 0.938 0.500 CB 1.457 17 residues pruned to eliminate duplicates Z: 87 50.789 2.004 0.696 0.711 0.942 0.593 CB 1.413 87 residues pruned to eliminate duplicates Z: 65 35.573 1.953 0.598 0.677 0.906 0.609 CB 1.336 65 residues pruned to eliminate duplicates Z: 17 32.440 2.006 0.835 0.922 1.000 0.625 CA 1.550 17 residues pruned to eliminate duplicates Z: 29 26.822 1.870 0.605 0.777 0.964 0.607 CB 1.372 29 residues pruned to eliminate duplicates Z: 66 44.453 2.001 0.759 0.729 0.923 0.585 CB 1.381 66 residues pruned to eliminate duplicates Z: 17 24.934 1.963 0.931 0.832 0.938 0.562 CB 1.317 17 residues pruned to eliminate duplicates Z: 86 49.893 2.017 0.677 0.706 0.941 0.600 CB 1.410 86 residues pruned to eliminate duplicates Z: 30 24.416 1.846 0.654 0.682 0.966 0.621 CB 1.301 30 residues pruned to eliminate duplicates Z: 85 42.584 1.979 0.671 0.644 0.905 0.524 CB 1.357 85 residues pruned to eliminate duplicates Z: 28 21.543 1.828 0.547 0.751 0.926 0.630 CB 1.266 28 residues pruned to eliminate duplicates Z: 62 36.535 1.987 0.425 0.772 0.934 0.672 CB 1.391 62 residues pruned to eliminate duplicates Z: 32 28.054 1.897 0.684 0.731 0.935 0.548 CB 1.370 32 residues pruned to eliminate duplicates Z: 53 33.797 1.975 0.688 0.670 0.923 0.615 CB 1.303 53 residues pruned to eliminate duplicates Z: 63 38.686 1.930 0.691 0.731 0.919 0.597 CB 1.330 63 residues pruned to eliminate duplicates Z: 49 29.674 1.989 0.599 0.673 0.875 0.625 CB 1.312 49 residues pruned to eliminate duplicates Z: 47 34.275 2.025 0.643 0.714 0.913 0.609 CB 1.370 47 residues pruned to eliminate duplicates Z: 92 48.902 2.035 0.678 0.697 0.923 0.604 CB 1.359 92 residues pruned to eliminate duplicates Z: 66 41.348 2.001 0.657 0.757 0.892 0.646 CB 1.379 66 residues pruned to eliminate duplicates Z: 71 47.692 2.037 0.852 0.662 0.929 0.657 CB 1.400 71 residues pruned to eliminate duplicates Z: 61 37.348 1.928 0.644 0.650 0.950 0.550 CB 1.393 61 residues pruned to eliminate duplicates Z: 47 33.474 1.924 0.670 0.770 0.935 0.587 CB 1.294 47 residues pruned to eliminate duplicates Z: 66 44.458 2.006 0.724 0.753 0.923 0.662 CB 1.378 66 residues pruned to eliminate duplicates Z: 106 51.432 2.096 0.614 0.596 0.933 0.619 CB 1.450 106 residues pruned to eliminate duplicates Z: 119 59.554 2.085 0.701 0.640 0.941 0.678 CB 1.441 119 residues pruned to eliminate duplicates Z: 22 23.566 1.932 0.702 0.755 0.905 0.571 CB 1.377 22 residues pruned to eliminate duplicates Z: 68 42.552 1.991 0.765 0.724 0.896 0.567 CB 1.350 68 residues pruned to eliminate duplicates Z: 21 24.108 1.953 0.655 0.780 1.000 0.600 CB 1.303 21 residues pruned to eliminate duplicates Z: 65 45.269 1.951 0.888 0.729 0.953 0.609 CB 1.312 65 residues pruned to eliminate duplicates Z: 48 33.361 1.908 0.657 0.766 0.915 0.532 CB 1.330 48 residues pruned to eliminate duplicates Z: 39 29.272 2.061 0.703 0.652 0.842 0.421 CB 1.395 39 residues pruned to eliminate duplicates Z: 49 35.066 2.007 0.816 0.678 0.875 0.479 CB 1.347 49 residues pruned to eliminate duplicates Z: 125 56.181 2.027 0.681 0.640 0.919 0.605 CB 1.412 125 residues pruned to eliminate duplicates Z: 53 37.614 1.963 0.779 0.701 0.942 0.423 CB 1.319 53 residues pruned to eliminate duplicates Z: 121 60.817 2.091 0.693 0.646 0.942 0.592 CB 1.454 121 residues pruned to eliminate duplicates Z: 90 52.308 2.005 0.737 0.694 0.944 0.596 CB 1.413 90 residues pruned to eliminate duplicates Z: 77 49.797 2.015 0.816 0.721 0.934 0.474 CB 1.368 77 residues pruned to eliminate duplicates Z: 122 48.334 2.022 0.568 0.591 0.926 0.620 CB 1.372 122 residues pruned to eliminate duplicates Z: 78 51.367 2.200 0.710 0.586 0.948 0.636 CB 1.512 78 residues pruned to eliminate duplicates Z: 63 43.832 1.976 0.831 0.735 0.919 0.565 CB 1.355 63 residues pruned to eliminate duplicates Z: 21 29.900 2.129 1.015 0.699 0.900 0.700 CB 1.444 21 residues pruned to eliminate duplicates Z: 29 23.275 2.035 0.703 0.599 0.929 0.500 CB 1.243 29 residues pruned to eliminate duplicates Z: 32 22.402 1.935 0.695 0.604 0.903 0.581 CB 1.230 32 residues pruned to eliminate duplicates Z: 22 27.282 2.140 1.005 0.658 0.857 0.524 CB 1.398 22 residues pruned to eliminate duplicates Z: 20 31.694 2.173 0.914 0.704 0.947 0.684 CB 1.533 20 residues pruned to eliminate duplicates Z: 135 57.128 2.074 0.685 0.622 0.903 0.642 CB 1.393 135 residues pruned to eliminate duplicates Z: 11 10.175 1.933 0.567 0.395 0.900 0.400 CB 1.319 11 residues pruned to eliminate duplicates Z: 21 21.078 2.125 0.384 0.661 0.950 0.600 CB 1.453 21 residues pruned to eliminate duplicates Z: 21 26.070 2.161 0.667 0.673 0.950 0.700 CB 1.453 21 residues pruned to eliminate duplicates Z: 85 46.630 2.146 0.578 0.594 0.952 0.679 CB 1.442 85 residues pruned to eliminate duplicates Z: 69 42.653 1.970 0.800 0.708 0.882 0.588 CB 1.369 69 residues pruned to eliminate duplicates Z: 84 45.904 2.156 0.557 0.586 0.940 0.663 CB 1.471 84 residues pruned to eliminate duplicates Z: 109 58.086 2.070 0.758 0.668 0.926 0.519 CB 1.420 109 residues pruned to eliminate duplicates Z: 70 41.803 2.008 0.613 0.690 0.942 0.696 CB 1.386 70 residues pruned to eliminate duplicates Z: 124 59.874 2.076 0.690 0.634 0.951 0.642 CB 1.426 124 residues pruned to eliminate duplicates Z: 33 25.452 2.091 0.639 0.493 0.875 0.594 CB 1.511 33 residues pruned to eliminate duplicates Z: 75 35.264 2.107 0.535 0.542 0.905 0.554 CB 1.343 75 residues pruned to eliminate duplicates Z: 26 26.174 2.113 0.574 0.597 0.960 0.640 CB 1.496 26 residues pruned to eliminate duplicates Z: 124 57.382 2.074 0.607 0.641 0.959 0.626 CB 1.418 124 residues pruned to eliminate duplicates Z: 59 40.898 2.163 0.605 0.586 0.983 0.724 CB 1.448 59 residues pruned to eliminate duplicates Z: 58 39.082 2.181 0.539 0.559 0.965 0.667 CB 1.510 58 residues pruned to eliminate duplicates Z: 62 37.524 2.094 0.639 0.505 0.902 0.656 CB 1.545 62 residues pruned to eliminate duplicates Z: 106 48.787 2.108 0.571 0.618 0.914 0.686 CB 1.406 106 residues pruned to eliminate duplicates Z: 70 42.930 2.122 0.681 0.571 0.957 0.623 CB 1.414 70 residues pruned to eliminate duplicates Z: 58 38.399 2.181 0.565 0.599 0.912 0.702 CB 1.486 58 residues pruned to eliminate duplicates Z: 59 36.024 2.194 0.465 0.542 0.948 0.655 CB 1.490 59 residues pruned to eliminate duplicates Z: 59 41.567 2.181 0.639 0.554 0.948 0.638 CB 1.526 59 residues pruned to eliminate duplicates Z: 59 38.960 2.186 0.601 0.557 0.966 0.638 CB 1.432 59 residues pruned to eliminate duplicates Z: 77 45.817 2.169 0.601 0.559 0.947 0.737 CB 1.508 77 residues pruned to eliminate duplicates Z: 26 29.217 2.067 0.826 0.585 0.920 0.720 CA 1.551 26 residues pruned to eliminate duplicates Z: 59 40.639 2.183 0.620 0.544 0.931 0.672 CB 1.552 59 residues pruned to eliminate duplicates Z: 71 35.684 2.128 0.515 0.558 0.914 0.629 CB 1.368 71 residues pruned to eliminate duplicates Z: 90 45.342 2.105 0.637 0.570 0.944 0.663 CB 1.381 90 residues pruned to eliminate duplicates Z: 59 43.327 2.179 0.606 0.563 0.983 0.776 CB 1.556 59 residues pruned to eliminate duplicates Z: 58 43.170 2.182 0.616 0.603 0.947 0.561 CB 1.552 58 residues pruned to eliminate duplicates Z: 70 42.020 2.139 0.673 0.573 0.899 0.609 CB 1.466 70 residues pruned to eliminate duplicates Z: 78 45.559 2.168 0.635 0.596 0.896 0.610 CB 1.492 78 residues pruned to eliminate duplicates Z: 38 34.365 2.222 0.623 0.552 1.000 0.811 CB 1.489 38 residues pruned to eliminate duplicates Z: 21 25.969 2.146 0.735 0.511 0.950 0.500 CB 1.623 21 residues pruned to eliminate duplicates Z: 56 32.803 2.133 0.529 0.530 0.909 0.600 CB 1.447 56 residues pruned to eliminate duplicates Z: 23 27.993 2.153 0.721 0.549 1.000 0.500 CB 1.536 23 residues pruned to eliminate duplicates Z: 58 42.653 2.194 0.648 0.602 0.947 0.596 CB 1.497 58 residues pruned to eliminate duplicates Z: 58 42.869 2.192 0.732 0.591 0.930 0.684 CB 1.473 58 residues pruned to eliminate duplicates Z: 53 31.687 2.133 0.605 0.512 0.942 0.654 CB 1.346 53 residues pruned to eliminate duplicates Z: 58 39.063 2.186 0.582 0.575 0.930 0.632 CB 1.496 58 residues pruned to eliminate duplicates Z: 37 29.469 2.243 0.556 0.500 0.917 0.667 CB 1.535 37 residues pruned to eliminate duplicates Z: 57 44.206 2.179 0.731 0.606 0.929 0.696 CB 1.526 57 residues pruned to eliminate duplicates Z: 38 34.002 2.233 0.663 0.510 0.973 0.595 CB 1.532 38 residues pruned to eliminate duplicates Z: 37 34.640 2.231 0.637 0.535 1.000 0.667 CB 1.527 37 residues pruned to eliminate duplicates Z: 58 41.585 2.207 0.629 0.582 0.947 0.684 CB 1.495 58 residues pruned to eliminate duplicates Z: 44 34.846 2.170 0.695 0.527 0.953 0.535 CB 1.476 44 residues pruned to eliminate duplicates Z: 110 54.038 2.103 0.617 0.651 0.945 0.661 CB 1.400 110 residues pruned to eliminate duplicates Z: 61 40.066 2.140 0.745 0.568 0.900 0.583 CB 1.441 61 residues pruned to eliminate duplicates Z: 101 54.414 2.125 0.721 0.627 0.940 0.620 CB 1.405 101 residues pruned to eliminate duplicates Z: 49 33.209 2.144 0.635 0.544 0.938 0.542 CB 1.397 49 residues pruned to eliminate duplicates Z: 71 44.640 2.156 0.767 0.570 0.914 0.629 CB 1.432 77 residues pruned to eliminate duplicates Z: 9 5.663 1.629 0.416 0.477 0.750 0.500 CB 1.184 9 residues pruned to eliminate duplicates Z: 84 50.399 2.166 0.648 0.635 0.940 0.735 CB 1.454 84 residues pruned to eliminate duplicates Z: 87 45.902 2.142 0.705 0.569 0.907 0.593 CB 1.397 87 residues pruned to eliminate duplicates Z: 58 40.428 2.142 0.675 0.581 0.947 0.439 CB 1.457 58 residues pruned to eliminate duplicates Z: 69 44.369 2.173 0.759 0.580 0.897 0.559 CB 1.454 69 residues pruned to eliminate duplicates Z: 49 37.383 2.157 0.728 0.590 0.979 0.646 CB 1.356 49 residues pruned to eliminate duplicates Z: 40 34.802 2.101 0.762 0.531 1.000 0.564 CB 1.459 40 residues pruned to eliminate duplicates Z: 76 42.676 2.091 0.701 0.560 0.907 0.533 CB 1.441 76 residues pruned to eliminate duplicates Z: 67 40.671 2.127 0.650 0.573 0.924 0.561 CB 1.439 67 residues pruned to eliminate duplicates Z: 39 34.828 2.194 0.666 0.544 1.000 0.658 CB 1.481 39 residues pruned to eliminate duplicates Z: 60 34.971 2.080 0.631 0.508 0.898 0.593 CB 1.483 60 residues pruned to eliminate duplicates Z: 39 36.919 2.179 0.817 0.560 0.974 0.711 CB 1.466 39 residues pruned to eliminate duplicates Z: 94 53.497 2.121 0.762 0.606 0.925 0.677 CB 1.452 94 residues pruned to eliminate duplicates Z: 75 42.375 2.073 0.737 0.581 0.892 0.581 CB 1.419 75 residues pruned to eliminate duplicates Z: 57 46.463 2.209 0.797 0.598 0.946 0.625 CB 1.506 57 residues pruned to eliminate duplicates Z: 60 45.483 2.137 0.859 0.569 0.932 0.610 CB 1.496 60 residues pruned to eliminate duplicates Z: 141 61.283 2.067 0.766 0.650 0.914 0.593 CB 1.350 141 residues pruned to eliminate duplicates Z: 12 8.698 1.912 0.584 0.497 0.818 0.455 CB 1.061 12 residues pruned to eliminate duplicates Z: 10 6.767 1.928 0.262 0.631 0.778 0.667 CB 1.054 10 residues pruned to eliminate duplicates Z: 15 8.838 1.963 0.401 0.585 0.857 0.571 CB 0.923 15 residues pruned to eliminate duplicates Z: 20 13.711 2.025 0.378 0.518 0.842 0.737 CB 1.315 20 residues pruned to eliminate duplicates Z: 8 13.785 2.094 0.510 0.827 1.000 0.714 CB 1.243 8 residues pruned to eliminate duplicates 388 residues left after pruning, divided into chains as follows: A: 10 B: 32 C: 26 D: 151 E: 169 CC for partial structure against native data = 40.09 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.383, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.435, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.532, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.555, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.562, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2275 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 504 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 72 44.711 2.118 0.750 0.567 0.958 0.634 CB 1.401 B: 9 17.124 2.135 0.393 0.801 1.000 0.500 CB 1.565 C: 10 13.132 2.185 0.090 0.798 1.000 0.778 CB 1.417 8 residues pruned to eliminate duplicates D: 21 27.891 2.155 0.770 0.810 0.900 0.700 CA 1.387 E: 44 27.776 2.052 0.535 0.557 0.930 0.488 CB 1.367 11 residues pruned to eliminate duplicates F: 78 51.403 2.177 0.756 0.595 0.961 0.636 CB 1.457 60 residues pruned to eliminate duplicates G: 14 21.994 2.053 0.496 0.911 1.000 0.769 CB 1.408 14 residues pruned to eliminate duplicates H: 19 28.000 2.277 0.491 0.903 0.944 0.667 CB 1.467 19 residues pruned to eliminate duplicates I: 9 12.275 2.049 0.161 0.826 1.000 0.625 CA 1.376 J: 13 19.552 2.047 0.563 0.855 0.917 0.667 CB 1.421 13 residues pruned to eliminate duplicates K: 21 32.731 2.170 0.722 0.900 1.000 0.850 CA 1.399 21 residues pruned to eliminate duplicates L: 18 21.380 2.001 0.388 0.919 0.882 0.647 CB 1.492 M: 71 47.912 2.160 0.764 0.569 0.957 0.614 CB 1.468 71 residues pruned to eliminate duplicates N: 24 19.625 1.733 0.337 0.865 1.000 0.783 CA 1.293 9 residues pruned to eliminate duplicates O: 9 14.330 2.214 0.389 0.812 1.000 0.625 CB 1.256 10 residues pruned to eliminate duplicates P: 32 29.354 2.120 0.671 0.628 0.935 0.677 CA 1.411 Q: 13 22.761 2.129 0.465 0.902 1.000 0.917 CB 1.503 13 residues pruned to eliminate duplicates R: 21 36.921 2.163 0.993 0.888 0.950 0.700 CA 1.453 20 residues pruned to eliminate duplicates S: 16 20.141 2.000 0.287 0.908 1.000 0.867 CA 1.435 T: 12 17.809 1.971 0.869 0.808 0.818 0.636 CB 1.361 12 residues pruned to eliminate duplicates U: 10 17.280 2.034 0.285 0.934 1.000 0.889 CB 1.537 11 residues pruned to eliminate duplicates V: 18 32.766 2.347 0.801 0.873 0.941 0.588 CB 1.455 18 residues pruned to eliminate duplicates W: 13 25.214 2.218 0.563 0.917 1.000 0.583 CB 1.481 13 residues pruned to eliminate duplicates X: 13 22.066 2.169 0.495 0.882 1.000 0.917 CB 1.422 13 residues pruned to eliminate duplicates Y: 13 26.694 2.154 0.797 0.885 0.917 0.750 CA 1.568 13 residues pruned to eliminate duplicates Z: 13 31.773 2.169 0.813 0.915 1.000 0.667 CB 1.648 Z: 8 16.788 2.116 0.474 0.888 0.857 0.571 CB 1.709 7 residues pruned to eliminate duplicates Z: 14 29.577 2.426 0.734 0.874 0.923 0.692 CB 1.537 14 residues pruned to eliminate duplicates Z: 20 24.421 1.895 0.568 0.904 0.947 0.632 CB 1.418 22 residues pruned to eliminate duplicates Z: 14 14.402 1.851 0.196 0.914 1.000 0.923 CB 1.276 Z: 89 47.507 2.149 0.612 0.572 0.943 0.682 CB 1.446 89 residues pruned to eliminate duplicates Z: 17 24.410 1.970 0.510 0.936 1.000 0.938 CA 1.429 16 residues pruned to eliminate duplicates Z: 13 21.463 2.132 0.301 0.895 1.000 0.667 CB 1.601 13 residues pruned to eliminate duplicates Z: 21 30.856 2.166 0.613 0.896 1.000 0.900 CA 1.414 21 residues pruned to eliminate duplicates Z: 82 45.845 2.134 0.591 0.616 0.938 0.605 CB 1.433 82 residues pruned to eliminate duplicates Z: 14 25.436 2.080 0.806 0.910 0.923 0.769 CA 1.443 14 residues pruned to eliminate duplicates Z: 21 16.118 1.865 0.160 0.881 1.000 0.700 CB 1.206 21 residues pruned to eliminate duplicates Z: 17 19.299 1.866 0.357 0.914 1.000 0.875 CB 1.347 14 residues pruned to eliminate duplicates Z: 17 24.131 2.014 0.458 0.878 1.000 0.625 CB 1.490 17 residues pruned to eliminate duplicates Z: 20 15.645 1.954 0.148 0.907 0.842 0.737 CA 1.351 20 residues pruned to eliminate duplicates Z: 36 29.013 2.084 0.665 0.480 0.943 0.600 CB 1.530 36 residues pruned to eliminate duplicates Z: 21 25.902 1.853 0.843 0.939 0.900 0.400 CB 1.310 19 residues pruned to eliminate duplicates Z: 13 27.064 2.168 0.577 0.926 1.000 1.000 CB 1.603 13 residues pruned to eliminate duplicates Z: 21 22.908 1.901 0.441 0.839 1.000 0.750 CA 1.396 21 residues pruned to eliminate duplicates Z: 16 25.983 1.981 0.703 0.920 0.933 0.600 CB 1.500 17 residues pruned to eliminate duplicates Z: 18 19.388 2.090 0.438 0.920 0.824 0.647 CB 1.337 Z: 125 59.251 2.096 0.601 0.655 0.952 0.645 CB 1.442 70 residues pruned to eliminate duplicates Z: 12 18.405 2.151 0.729 0.819 0.818 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 13 23.384 2.121 0.532 0.838 0.917 0.667 CB 1.695 13 residues pruned to eliminate duplicates Z: 12 31.291 2.151 0.887 0.903 1.000 0.818 CB 1.657 12 residues pruned to eliminate duplicates Z: 11 17.538 2.092 0.608 0.897 0.900 0.400 CB 1.311 11 residues pruned to eliminate duplicates Z: 38 32.564 2.059 0.708 0.490 0.973 0.595 CB 1.580 38 residues pruned to eliminate duplicates Z: 13 22.800 2.074 0.621 0.903 0.917 0.833 CB 1.522 13 residues pruned to eliminate duplicates Z: 13 8.057 1.830 0.601 0.326 0.750 0.417 CB 1.282 Z: 19 22.317 2.063 0.256 0.896 1.000 0.722 CB 1.455 19 residues pruned to eliminate duplicates Z: 16 22.945 2.085 0.716 0.874 0.933 0.733 CB 1.292 16 residues pruned to eliminate duplicates Z: 17 26.037 2.005 1.083 0.835 0.875 0.562 CA 1.335 17 residues pruned to eliminate duplicates Z: 21 19.708 1.807 0.482 0.898 0.950 0.550 CA 1.240 21 residues pruned to eliminate duplicates Z: 20 40.245 2.228 1.097 0.875 0.947 0.526 CB 1.517 20 residues pruned to eliminate duplicates Z: 11 25.564 2.293 0.463 0.932 1.000 0.900 CA 1.683 11 residues pruned to eliminate duplicates Z: 14 19.507 2.050 0.484 0.830 1.000 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 13 22.699 2.161 0.806 0.876 0.917 0.167 CB 1.331 13 residues pruned to eliminate duplicates 7 1.840 1.435 0.220 0.131 0.833 0.333 CB 0.817 ? Z: 14 23.897 1.882 0.899 0.872 1.000 0.846 CA 1.351 14 residues pruned to eliminate duplicates Z: 14 20.385 2.053 0.549 0.821 1.000 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 11 13.463 2.009 0.400 0.806 0.900 0.700 CB 1.287 11 residues pruned to eliminate duplicates Z: 66 44.901 2.042 0.694 0.730 0.923 0.523 CB 1.419 66 residues pruned to eliminate duplicates Z: 12 17.284 2.092 0.253 0.866 1.000 0.727 CB 1.456 12 residues pruned to eliminate duplicates Z: 46 35.780 2.014 0.737 0.734 0.911 0.667 CB 1.356 39 residues pruned to eliminate duplicates Z: 47 28.083 2.088 0.591 0.547 0.870 0.457 CB 1.368 47 residues pruned to eliminate duplicates Z: 17 26.397 1.984 0.945 0.904 0.812 0.500 CB 1.499 17 residues pruned to eliminate duplicates Z: 66 34.651 2.068 0.547 0.519 0.938 0.677 CB 1.405 66 residues pruned to eliminate duplicates Z: 13 17.612 2.073 0.203 0.857 1.000 0.917 CB 1.502 13 residues pruned to eliminate duplicates Z: 13 33.776 2.156 0.811 0.927 1.000 1.000 CA 1.750 13 residues pruned to eliminate duplicates Z: 17 15.066 1.956 0.090 0.891 0.938 0.812 CB 1.355 17 residues pruned to eliminate duplicates Z: 18 25.891 1.958 0.760 0.879 0.882 0.706 CB 1.498 18 residues pruned to eliminate duplicates Z: 17 23.700 2.051 0.929 0.880 0.938 0.438 CB 1.157 17 residues pruned to eliminate duplicates Z: 13 16.945 2.034 0.240 0.884 1.000 0.750 CB 1.401 13 residues pruned to eliminate duplicates Z: 18 18.623 1.951 0.242 0.901 0.941 0.824 CB 1.413 18 residues pruned to eliminate duplicates Z: 18 15.076 1.730 0.246 0.876 0.941 0.765 CA 1.310 18 residues pruned to eliminate duplicates Z: 17 36.312 2.015 0.997 0.938 1.000 0.688 CA 1.569 17 residues pruned to eliminate duplicates Z: 18 30.346 1.937 0.840 0.881 1.000 0.706 CA 1.495 18 residues pruned to eliminate duplicates Z: 12 22.984 2.135 0.505 0.886 1.000 0.909 CB 1.556 12 residues pruned to eliminate duplicates Z: 15 24.099 2.090 0.820 0.901 1.000 0.929 CA 1.208 15 residues pruned to eliminate duplicates Z: 14 20.387 2.027 0.568 0.899 1.000 0.846 CA 1.272 14 residues pruned to eliminate duplicates Z: 18 23.623 1.833 0.677 0.913 0.941 0.529 CB 1.401 18 residues pruned to eliminate duplicates Z: 12 22.841 2.194 0.780 0.855 1.000 0.545 CB 1.300 12 residues pruned to eliminate duplicates Z: 87 48.564 2.041 0.594 0.732 0.919 0.581 CB 1.423 87 residues pruned to eliminate duplicates Z: 18 26.667 1.976 0.676 0.913 0.941 0.471 CB 1.468 18 residues pruned to eliminate duplicates Z: 17 23.326 1.966 0.538 0.908 0.938 0.562 CB 1.461 17 residues pruned to eliminate duplicates Z: 12 19.906 2.058 0.606 0.874 0.909 0.727 CB 1.454 12 residues pruned to eliminate duplicates Z: 77 40.480 2.121 0.650 0.557 0.921 0.579 CB 1.363 77 residues pruned to eliminate duplicates Z: 13 14.324 1.996 0.132 0.871 0.917 0.833 CB 1.457 13 residues pruned to eliminate duplicates Z: 12 16.735 2.151 0.304 0.879 0.818 0.818 CB 1.594 12 residues pruned to eliminate duplicates Z: 18 29.032 1.952 0.922 0.922 0.941 0.765 CA 1.402 18 residues pruned to eliminate duplicates Z: 12 26.957 2.048 0.950 0.912 1.000 0.909 CA 1.442 12 residues pruned to eliminate duplicates Z: 13 21.721 2.130 0.471 0.893 0.917 0.667 CA 1.567 13 residues pruned to eliminate duplicates Z: 17 29.725 1.987 0.718 0.926 1.000 0.500 CB 1.527 17 residues pruned to eliminate duplicates Z: 14 19.638 1.912 0.422 0.873 1.000 0.769 CA 1.459 14 residues pruned to eliminate duplicates Z: 17 26.519 2.094 0.748 0.918 1.000 0.875 CA 1.277 17 residues pruned to eliminate duplicates Z: 6 9.924 1.984 0.100 0.846 1.000 0.800 N 1.511 6 residues pruned to eliminate duplicates Z: 20 21.811 2.004 0.322 0.891 1.000 0.737 CB 1.357 20 residues pruned to eliminate duplicates Z: 12 30.128 2.252 0.855 0.915 1.000 0.364 CB 1.537 12 residues pruned to eliminate duplicates Z: 46 40.043 2.063 0.735 0.790 0.911 0.489 CB 1.419 46 residues pruned to eliminate duplicates Z: 91 48.850 2.151 0.694 0.565 0.922 0.656 CB 1.439 91 residues pruned to eliminate duplicates Z: 8 4.090 1.574 -0.171 0.868 0.857 0.714 CA 1.011 6 residues pruned to eliminate duplicates Z: 14 20.132 2.044 0.429 0.829 1.000 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 8 11.658 1.797 0.522 0.903 1.000 0.714 CB 1.148 8 residues pruned to eliminate duplicates Z: 9 8.494 1.703 0.637 0.590 0.875 0.500 N 1.130 Z: 18 27.203 1.979 0.814 0.899 1.000 0.765 CA 1.314 17 residues pruned to eliminate duplicates Z: 10 10.412 1.827 0.060 0.892 1.000 1.000 CA 1.288 10 residues pruned to eliminate duplicates Z: 19 21.944 2.234 0.207 0.905 0.944 0.944 CB 1.445 19 residues pruned to eliminate duplicates Z: 9 11.773 2.043 0.478 0.513 1.000 0.750 CB 1.360 9 residues pruned to eliminate duplicates Z: 21 16.962 1.896 0.374 0.828 0.950 0.500 CB 1.154 21 residues pruned to eliminate duplicates Z: 32 29.414 2.127 0.606 0.664 0.935 0.774 CA 1.421 32 residues pruned to eliminate duplicates Z: 69 43.559 2.055 0.607 0.712 0.926 0.485 CB 1.424 69 residues pruned to eliminate duplicates Z: 16 28.012 2.075 0.871 0.880 0.933 0.600 CA 1.446 16 residues pruned to eliminate duplicates Z: 21 25.286 2.172 0.805 0.698 0.850 0.650 CB 1.416 21 residues pruned to eliminate duplicates Z: 13 17.047 1.905 0.558 0.853 0.917 0.750 CB 1.338 13 residues pruned to eliminate duplicates Z: 17 17.223 1.991 0.298 0.912 1.000 0.875 CB 1.180 17 residues pruned to eliminate duplicates Z: 17 23.107 1.997 0.720 0.906 0.875 0.812 CA 1.368 17 residues pruned to eliminate duplicates Z: 8 5.746 1.804 0.177 0.269 1.000 0.714 CB 1.331 8 residues pruned to eliminate duplicates Z: 17 25.867 2.062 0.925 0.926 0.938 0.625 CA 1.219 17 residues pruned to eliminate duplicates Z: 18 32.875 1.905 0.977 0.928 1.000 0.647 CA 1.483 17 residues pruned to eliminate duplicates Z: 17 22.869 2.056 0.602 0.912 1.000 0.875 CA 1.228 17 residues pruned to eliminate duplicates Z: 46 42.424 2.073 0.801 0.777 0.933 0.444 CB 1.421 46 residues pruned to eliminate duplicates Z: 20 29.772 2.239 0.534 0.880 1.000 0.895 CA 1.440 20 residues pruned to eliminate duplicates Z: 36 21.081 1.867 0.673 0.566 0.829 0.457 CB 1.291 22 residues pruned to eliminate duplicates Z: 12 16.163 2.034 0.410 0.874 0.909 0.727 CB 1.360 12 residues pruned to eliminate duplicates Z: 18 29.318 2.023 0.988 0.908 1.000 0.588 CA 1.256 18 residues pruned to eliminate duplicates Z: 21 27.501 2.089 0.527 0.885 1.000 0.850 CA 1.391 21 residues pruned to eliminate duplicates Z: 9 6.410 1.887 0.396 0.735 0.625 0.375 CB 1.114 9 residues pruned to eliminate duplicates Z: 6 4.422 1.699 0.152 0.774 0.800 0.800 CB 0.991 6 residues pruned to eliminate duplicates Z: 14 17.454 2.068 0.593 0.880 0.923 0.538 CB 1.153 14 residues pruned to eliminate duplicates Z: 19 22.225 1.821 0.494 0.916 1.000 0.833 CB 1.360 19 residues pruned to eliminate duplicates Z: 7 6.620 1.774 0.393 0.805 0.833 0.667 CB 1.005 7 residues pruned to eliminate duplicates Z: 12 21.295 2.087 0.398 0.875 1.000 0.818 CA 1.600 12 residues pruned to eliminate duplicates Z: 8 5.031 1.408 0.329 0.745 0.714 0.571 CB 1.143 8 residues pruned to eliminate duplicates Z: 121 69.011 2.121 0.815 0.676 0.950 0.625 CB 1.465 119 residues pruned to eliminate duplicates Z: 18 21.677 1.924 0.366 0.907 1.000 0.824 CA 1.422 18 residues pruned to eliminate duplicates Z: 19 26.514 2.298 0.335 0.931 0.944 0.889 CA 1.508 19 residues pruned to eliminate duplicates Z: 18 18.815 1.798 0.290 0.889 1.000 0.882 CB 1.417 17 residues pruned to eliminate duplicates Z: 46 31.586 2.145 0.439 0.563 0.933 0.644 CB 1.537 46 residues pruned to eliminate duplicates Z: 8 6.261 1.658 0.121 0.840 1.000 0.714 CB 0.951 8 residues pruned to eliminate duplicates Z: 21 28.640 2.142 0.644 0.859 0.950 0.850 CA 1.409 21 residues pruned to eliminate duplicates Z: 65 50.201 2.099 0.722 0.779 0.953 0.531 CB 1.425 65 residues pruned to eliminate duplicates Z: 18 18.278 1.865 0.251 0.900 0.941 0.882 CA 1.443 18 residues pruned to eliminate duplicates Z: 14 23.229 1.952 0.850 0.843 0.923 0.846 CB 1.440 14 residues pruned to eliminate duplicates Z: 35 32.206 1.993 0.613 0.701 0.971 0.471 CA 1.475 35 residues pruned to eliminate duplicates Z: 19 21.848 1.838 0.491 0.916 1.000 1.000 CA 1.328 19 residues pruned to eliminate duplicates Z: 14 20.248 1.991 0.423 0.857 1.000 0.615 CA 1.461 14 residues pruned to eliminate duplicates Z: 14 22.502 1.957 0.535 0.850 1.000 0.769 CB 1.539 14 residues pruned to eliminate duplicates Z: 6 6.354 1.964 -0.029 0.697 0.800 0.800 N 1.557 6 residues pruned to eliminate duplicates Z: 8 15.286 2.068 0.420 0.879 0.857 0.571 CB 1.664 8 residues pruned to eliminate duplicates Z: 20 28.366 2.209 0.549 0.890 1.000 0.842 CA 1.368 20 residues pruned to eliminate duplicates Z: 62 46.362 2.065 0.680 0.776 0.918 0.607 CB 1.461 62 residues pruned to eliminate duplicates Z: 12 23.015 2.032 0.642 0.922 1.000 0.636 CB 1.462 12 residues pruned to eliminate duplicates Z: 27 20.008 1.880 0.722 0.589 0.885 0.615 CB 1.259 27 residues pruned to eliminate duplicates Z: 16 11.613 2.016 0.233 0.445 0.933 0.667 CB 1.368 16 residues pruned to eliminate duplicates Z: 18 17.148 1.989 0.197 0.866 1.000 0.824 CB 1.278 18 residues pruned to eliminate duplicates Z: 17 27.231 2.177 0.653 0.901 1.000 0.875 CA 1.350 17 residues pruned to eliminate duplicates Z: 20 29.701 2.221 0.591 0.858 0.947 0.737 CA 1.500 20 residues pruned to eliminate duplicates Z: 13 23.282 2.091 0.597 0.894 1.000 0.917 CA 1.444 13 residues pruned to eliminate duplicates Z: 19 24.575 2.076 0.615 0.884 1.000 0.556 CB 1.248 19 residues pruned to eliminate duplicates Z: 11 7.420 1.749 0.185 0.728 0.800 0.700 CB 1.153 11 residues pruned to eliminate duplicates Z: 6 4.105 1.762 0.076 0.664 0.800 0.400 CA 1.040 6 residues pruned to eliminate duplicates Z: 12 25.986 2.128 1.077 0.883 0.909 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 12 17.419 2.239 0.310 0.550 1.000 0.909 CB 1.705 12 residues pruned to eliminate duplicates Z: 17 30.120 2.062 1.137 0.883 0.938 0.625 CB 1.318 17 residues pruned to eliminate duplicates Z: 7 4.106 1.571 0.385 0.740 0.833 0.500 CB 0.746 7 residues pruned to eliminate duplicates Z: 134 55.454 2.076 0.609 0.667 0.910 0.586 CB 1.355 134 residues pruned to eliminate duplicates Z: 11 12.002 1.723 0.443 0.866 0.900 0.600 CB 1.242 11 residues pruned to eliminate duplicates Z: 14 16.812 1.937 0.249 0.860 1.000 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 10 25.469 2.209 0.857 0.928 1.000 0.889 CB 1.449 10 residues pruned to eliminate duplicates Z: 14 22.543 1.975 0.754 0.858 0.923 0.615 CB 1.439 14 residues pruned to eliminate duplicates Z: 18 28.551 2.060 0.804 0.942 0.941 0.529 CB 1.373 18 residues pruned to eliminate duplicates Z: 46 29.438 2.049 0.413 0.507 0.978 0.667 CB 1.540 46 residues pruned to eliminate duplicates Z: 13 16.005 2.002 0.402 0.876 0.917 0.583 CB 1.305 13 residues pruned to eliminate duplicates Z: 13 21.469 2.123 0.228 0.937 1.000 1.000 CB 1.654 13 residues pruned to eliminate duplicates Z: 18 31.123 2.002 1.135 0.865 0.882 0.588 CA 1.467 18 residues pruned to eliminate duplicates Z: 23 17.696 1.850 0.444 0.654 0.909 0.591 CB 1.347 23 residues pruned to eliminate duplicates Z: 13 23.019 2.100 0.532 0.847 1.000 0.667 CB 1.533 13 residues pruned to eliminate duplicates Z: 13 24.094 2.101 0.506 0.895 1.000 0.750 CA 1.575 13 residues pruned to eliminate duplicates Z: 15 18.468 1.897 0.705 0.924 0.857 0.357 CB 1.250 15 residues pruned to eliminate duplicates Z: 18 27.413 1.870 0.869 0.938 0.941 0.588 CB 1.405 18 residues pruned to eliminate duplicates Z: 14 16.820 1.997 0.361 0.814 0.923 0.692 CB 1.415 14 residues pruned to eliminate duplicates Z: 17 21.612 1.952 0.408 0.883 0.938 0.875 CB 1.516 17 residues pruned to eliminate duplicates Z: 15 15.536 1.924 0.169 0.907 1.000 0.857 CB 1.312 15 residues pruned to eliminate duplicates Z: 12 25.172 2.123 0.782 0.843 1.000 0.364 CB 1.494 12 residues pruned to eliminate duplicates Z: 17 20.387 1.945 0.219 0.923 1.000 0.750 CB 1.511 17 residues pruned to eliminate duplicates Z: 19 19.586 1.762 0.648 0.897 1.000 0.444 CB 1.138 18 residues pruned to eliminate duplicates Z: 12 11.639 1.626 0.419 0.894 1.000 0.818 CB 1.092 Z: 29 30.323 1.985 0.734 0.751 1.000 0.821 CA 1.331 29 residues pruned to eliminate duplicates Z: 109 53.552 2.082 0.591 0.685 0.935 0.565 CB 1.404 107 residues pruned to eliminate duplicates Z: 9 9.236 1.656 0.356 0.872 0.875 0.500 CB 1.211 9 residues pruned to eliminate duplicates Z: 17 30.304 1.985 0.784 0.939 1.000 0.812 CA 1.487 17 residues pruned to eliminate duplicates Z: 91 50.399 2.134 0.775 0.583 0.922 0.644 CB 1.404 91 residues pruned to eliminate duplicates Z: 14 19.777 1.941 0.826 0.811 0.846 0.769 CA 1.395 14 residues pruned to eliminate duplicates Z: 20 16.412 1.962 0.265 0.886 0.947 0.737 CB 1.155 20 residues pruned to eliminate duplicates Z: 13 13.410 1.803 0.274 0.893 1.000 0.750 CB 1.209 13 residues pruned to eliminate duplicates Z: 12 27.594 2.174 0.924 0.920 0.909 0.727 CA 1.541 12 residues pruned to eliminate duplicates Z: 7 3.703 1.573 0.084 0.632 1.000 0.833 CB 0.784 Z: 11 12.625 1.947 0.501 0.548 0.900 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 17 16.640 1.944 0.080 0.899 0.938 0.812 CA 1.511 17 residues pruned to eliminate duplicates Z: 15 15.408 1.869 0.469 0.819 0.929 0.571 CB 1.224 15 residues pruned to eliminate duplicates Z: 15 13.413 1.805 0.374 0.826 1.000 0.786 CA 1.089 15 residues pruned to eliminate duplicates Z: 12 9.977 1.754 0.233 0.838 0.818 0.636 CB 1.270 12 residues pruned to eliminate duplicates Z: 13 16.493 1.942 0.670 0.869 1.000 0.750 CB 1.072 13 residues pruned to eliminate duplicates Z: 14 18.386 2.061 0.346 0.864 0.923 0.692 CB 1.460 14 residues pruned to eliminate duplicates Z: 9 7.882 1.515 0.613 0.498 1.000 0.625 O 1.143 Z: 16 32.604 2.099 1.129 0.911 1.000 0.667 CA 1.335 16 residues pruned to eliminate duplicates Z: 16 21.051 2.072 0.582 0.898 0.933 0.733 CB 1.270 16 residues pruned to eliminate duplicates Z: 18 18.946 1.789 0.373 0.896 1.000 0.765 CB 1.340 18 residues pruned to eliminate duplicates Z: 17 27.359 1.995 0.911 0.892 0.875 0.438 CB 1.474 17 residues pruned to eliminate duplicates Z: 20 11.577 1.821 0.455 0.381 0.895 0.579 CB 1.272 33 residues pruned to eliminate duplicates Z: 13 19.761 2.009 0.472 0.801 1.000 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 16 15.507 2.037 0.314 0.841 0.867 0.733 CA 1.288 16 residues pruned to eliminate duplicates Z: 6 3.017 1.952 0.089 0.319 0.800 0.400 CB 0.969 6 residues pruned to eliminate duplicates Z: 29 20.417 2.131 0.351 0.537 0.964 0.643 CB 1.340 29 residues pruned to eliminate duplicates Z: 27 31.826 2.154 0.621 0.732 1.000 0.808 CA 1.452 27 residues pruned to eliminate duplicates Z: 18 17.973 1.816 0.257 0.915 1.000 0.882 CA 1.349 18 residues pruned to eliminate duplicates Z: 6 6.353 1.700 0.459 0.521 1.000 0.600 CB 1.122 Z: 15 17.698 1.897 0.682 0.842 0.929 0.857 CA 1.190 15 residues pruned to eliminate duplicates Z: 11 14.442 1.785 0.611 0.804 1.000 0.800 CB 1.218 11 residues pruned to eliminate duplicates Z: 13 16.712 2.021 0.376 0.841 1.000 0.667 CB 1.295 13 residues pruned to eliminate duplicates Z: 18 26.419 2.016 0.931 0.890 0.941 0.706 CA 1.258 18 residues pruned to eliminate duplicates Z: 19 24.970 2.013 0.742 0.940 0.889 0.556 CB 1.311 19 residues pruned to eliminate duplicates Z: 13 24.001 2.133 0.558 0.911 1.000 0.750 CA 1.477 13 residues pruned to eliminate duplicates Z: 110 50.441 2.069 0.553 0.666 0.917 0.468 CB 1.405 110 residues pruned to eliminate duplicates Z: 123 65.413 2.098 0.677 0.673 0.959 0.615 CB 1.497 123 residues pruned to eliminate duplicates Z: 11 5.731 1.631 0.143 0.372 1.000 0.700 CA 1.115 11 residues pruned to eliminate duplicates Z: 6 2.443 1.652 0.402 0.294 0.800 0.800 CA 0.743 6 residues pruned to eliminate duplicates Z: 58 42.856 2.184 0.613 0.594 0.947 0.702 CB 1.555 58 residues pruned to eliminate duplicates Z: 127 51.709 2.065 0.517 0.609 0.929 0.627 CB 1.428 127 residues pruned to eliminate duplicates Z: 16 22.486 1.835 0.616 0.897 1.000 0.800 CA 1.402 19 residues pruned to eliminate duplicates Z: 11 4.051 1.508 0.671 0.304 0.700 0.600 CB 0.903 10 residues pruned to eliminate duplicates Z: 11 16.954 2.161 0.679 0.874 0.800 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 14 8.398 1.732 0.441 0.486 0.923 0.615 CB 1.026 Z: 14 13.086 1.926 0.350 0.814 0.846 0.462 CB 1.255 14 residues pruned to eliminate duplicates Z: 7 9.706 2.105 0.639 0.398 0.833 0.833 CB 1.535 7 residues pruned to eliminate duplicates Z: 35 30.298 1.979 0.743 0.708 0.853 0.412 CA 1.461 35 residues pruned to eliminate duplicates Z: 17 25.879 1.970 0.612 0.904 1.000 0.562 CB 1.451 17 residues pruned to eliminate duplicates Z: 14 16.593 1.853 0.694 0.814 0.846 0.769 CB 1.318 14 residues pruned to eliminate duplicates Z: 12 8.016 1.625 0.248 0.777 0.818 0.636 CB 1.141 12 residues pruned to eliminate duplicates Z: 66 45.190 2.070 0.697 0.709 0.938 0.523 CB 1.406 66 residues pruned to eliminate duplicates Z: 12 18.998 2.020 0.776 0.929 0.909 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 50 45.916 2.211 0.797 0.623 0.959 0.531 CB 1.533 50 residues pruned to eliminate duplicates Z: 17 17.627 1.919 0.260 0.906 1.000 0.875 CA 1.297 17 residues pruned to eliminate duplicates Z: 18 27.235 1.963 0.856 0.866 0.882 0.706 CB 1.504 18 residues pruned to eliminate duplicates Z: 14 21.352 1.899 0.524 0.890 1.000 0.846 CA 1.473 14 residues pruned to eliminate duplicates Z: 61 44.696 2.064 0.622 0.777 0.950 0.500 CB 1.421 61 residues pruned to eliminate duplicates Z: 8 15.372 2.357 0.142 0.830 1.000 0.571 CB 1.623 8 residues pruned to eliminate duplicates Z: 17 12.808 1.811 0.826 0.544 0.875 0.562 CB 1.060 17 residues pruned to eliminate duplicates Z: 9 6.718 1.805 0.594 0.296 0.750 0.750 CA 1.383 9 residues pruned to eliminate duplicates Z: 19 18.592 2.012 0.298 0.927 0.944 0.778 CB 1.245 19 residues pruned to eliminate duplicates Z: 12 12.817 2.006 0.420 0.527 1.000 0.727 CB 1.320 12 residues pruned to eliminate duplicates Z: 8 4.441 1.723 1.002 0.611 0.857 0.714 CB 0.511 8 residues pruned to eliminate duplicates Z: 11 15.296 1.944 0.378 0.894 1.000 0.900 CB 1.295 11 residues pruned to eliminate duplicates Z: 13 12.569 1.754 0.393 0.798 0.917 0.667 CA 1.248 13 residues pruned to eliminate duplicates Z: 59 45.643 2.069 0.703 0.780 0.931 0.586 CB 1.427 60 residues pruned to eliminate duplicates Z: 19 26.065 1.900 1.064 0.828 0.833 0.444 CA 1.416 19 residues pruned to eliminate duplicates Z: 16 15.318 1.940 0.123 0.870 1.000 0.867 CB 1.325 16 residues pruned to eliminate duplicates Z: 18 24.504 1.867 0.622 0.901 1.000 0.706 CB 1.402 16 residues pruned to eliminate duplicates Z: 52 31.353 2.013 0.516 0.720 0.922 0.490 CB 1.279 52 residues pruned to eliminate duplicates Z: 47 41.441 1.986 0.741 0.776 0.978 0.478 CB 1.415 46 residues pruned to eliminate duplicates Z: 32 30.370 2.070 0.746 0.651 0.968 0.613 CA 1.355 32 residues pruned to eliminate duplicates Z: 18 17.552 1.923 0.287 0.901 1.000 0.647 CB 1.228 18 residues pruned to eliminate duplicates Z: 17 17.300 1.973 0.141 0.903 0.938 0.812 CB 1.461 17 residues pruned to eliminate duplicates Z: 21 39.973 2.162 1.088 0.913 1.000 0.600 CA 1.401 21 residues pruned to eliminate duplicates Z: 21 21.373 1.833 0.649 0.927 0.850 0.550 CB 1.304 21 residues pruned to eliminate duplicates Z: 9 6.090 1.645 0.135 0.468 0.875 0.625 CA 1.362 Z: 19 23.539 1.957 0.405 0.938 0.944 0.889 CB 1.486 19 residues pruned to eliminate duplicates Z: 27 18.264 1.985 0.589 0.532 0.846 0.615 CB 1.301 27 residues pruned to eliminate duplicates Z: 17 15.115 1.920 0.189 0.885 0.938 0.938 CB 1.275 17 residues pruned to eliminate duplicates Z: 12 28.776 2.008 1.270 0.852 1.000 0.455 CB 1.408 12 residues pruned to eliminate duplicates Z: 18 17.165 1.818 0.171 0.892 1.000 0.765 CA 1.405 18 residues pruned to eliminate duplicates Z: 16 12.757 2.112 0.302 0.424 0.933 0.600 CA 1.390 16 residues pruned to eliminate duplicates Z: 12 15.960 1.903 0.469 0.898 1.000 0.636 CA 1.231 13 residues pruned to eliminate duplicates Z: 19 30.123 2.037 1.063 0.844 0.944 0.500 CA 1.331 19 residues pruned to eliminate duplicates Z: 13 9.113 1.900 0.434 0.604 0.917 0.667 CB 0.954 13 residues pruned to eliminate duplicates Z: 10 10.897 1.632 0.676 0.771 0.889 0.778 CA 1.176 9 residues pruned to eliminate duplicates 6 1.568 1.429 0.060 0.475 0.800 0.400 CB 0.593 ? Z: 14 17.684 2.034 0.257 0.858 1.000 0.615 CB 1.412 14 residues pruned to eliminate duplicates Z: 12 29.642 2.148 0.854 0.875 1.000 0.818 CA 1.632 12 residues pruned to eliminate duplicates Z: 7 3.290 1.428 0.158 0.551 1.000 1.000 CB 0.773 7 residues pruned to eliminate duplicates Z: 7 4.124 1.687 1.227 0.249 0.833 0.500 CB 0.718 7 residues pruned to eliminate duplicates Z: 24 17.079 1.933 0.667 0.597 0.870 0.522 CB 1.158 24 residues pruned to eliminate duplicates Z: 11 18.510 2.148 0.346 0.866 1.000 0.800 CB 1.482 11 residues pruned to eliminate duplicates Z: 13 13.743 2.001 0.063 0.902 1.000 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 13 14.494 1.902 0.505 0.806 0.917 0.667 CB 1.221 13 residues pruned to eliminate duplicates Z: 6 4.033 1.624 -0.108 0.488 1.000 0.600 CB 1.261 Z: 10 20.015 2.001 0.901 0.639 1.000 0.778 CB 1.541 10 residues pruned to eliminate duplicates Z: 6 3.860 1.467 0.447 0.437 0.800 0.600 N 1.084 Z: 10 8.985 1.738 0.071 0.893 1.000 0.889 CB 1.155 10 residues pruned to eliminate duplicates Z: 25 15.884 2.087 0.396 0.510 0.875 0.583 CB 1.260 25 residues pruned to eliminate duplicates Z: 46 29.451 2.160 0.376 0.534 0.956 0.644 CB 1.494 46 residues pruned to eliminate duplicates Z: 6 4.807 1.457 0.787 0.556 0.600 0.600 N 1.303 6 residues pruned to eliminate duplicates Z: 12 24.251 2.272 0.560 0.918 1.000 0.545 CB 1.455 12 residues pruned to eliminate duplicates Z: 14 11.961 1.822 0.140 0.902 1.000 0.923 CA 1.139 14 residues pruned to eliminate duplicates Z: 52 42.259 2.097 0.897 0.674 0.902 0.608 CB 1.405 52 residues pruned to eliminate duplicates Z: 13 17.384 1.999 0.408 0.941 1.000 1.000 CA 1.237 13 residues pruned to eliminate duplicates Z: 17 21.415 2.009 0.419 0.907 0.938 0.750 CB 1.424 17 residues pruned to eliminate duplicates Z: 6 3.038 1.180 0.362 0.417 1.000 0.600 C 0.922 Z: 14 15.935 2.044 0.134 0.718 1.000 0.692 CB 1.566 14 residues pruned to eliminate duplicates Z: 12 18.703 2.073 0.499 0.881 1.000 0.909 CB 1.313 12 residues pruned to eliminate duplicates Z: 18 20.237 1.880 0.853 0.813 0.824 0.412 CA 1.302 18 residues pruned to eliminate duplicates Z: 7 11.402 1.856 0.431 0.800 1.000 0.667 CA 1.349 7 residues pruned to eliminate duplicates Z: 12 15.956 2.009 0.346 0.860 1.000 0.636 CB 1.308 12 residues pruned to eliminate duplicates Z: 99 53.216 2.075 0.605 0.653 0.949 0.582 CB 1.474 98 residues pruned to eliminate duplicates Z: 32 25.961 2.045 0.720 0.607 0.935 0.645 CB 1.280 32 residues pruned to eliminate duplicates Z: 29 31.516 1.990 0.840 0.732 0.893 0.536 CA 1.478 29 residues pruned to eliminate duplicates Z: 29 27.241 2.175 0.415 0.605 0.964 0.750 CB 1.570 29 residues pruned to eliminate duplicates Z: 7 5.782 1.934 0.271 0.253 1.000 0.500 CB 1.276 7 residues pruned to eliminate duplicates Z: 7 2.320 1.455 0.381 0.299 0.667 0.500 CB 0.885 Z: 6 6.147 1.903 0.311 0.506 0.800 0.600 CA 1.369 6 residues pruned to eliminate duplicates Z: 8 3.375 1.676 0.459 0.299 0.571 0.571 CA 1.143 8 residues pruned to eliminate duplicates Z: 12 11.336 2.033 0.536 0.343 1.000 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 30 24.549 1.886 0.575 0.662 0.897 0.414 CB 1.473 30 residues pruned to eliminate duplicates Z: 21 17.266 2.094 0.357 0.526 0.900 0.650 CB 1.472 21 residues pruned to eliminate duplicates Z: 7 5.851 1.644 0.455 0.834 1.000 0.833 CB 0.749 7 residues pruned to eliminate duplicates Z: 115 57.214 2.117 0.704 0.647 0.921 0.553 CB 1.406 115 residues pruned to eliminate duplicates Z: 14 19.865 1.929 0.482 0.846 1.000 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 32 14.165 1.876 0.324 0.581 0.774 0.452 CB 1.223 32 residues pruned to eliminate duplicates Z: 18 17.225 2.035 0.243 0.934 0.882 0.824 CB 1.306 18 residues pruned to eliminate duplicates Z: 6 2.328 1.124 0.684 0.726 1.000 0.800 CB 0.448 6 residues pruned to eliminate duplicates Z: 17 18.514 1.915 0.429 0.913 0.938 0.500 CB 1.276 17 residues pruned to eliminate duplicates Z: 18 21.795 1.953 0.479 0.868 0.941 0.824 CA 1.421 18 residues pruned to eliminate duplicates Z: 8 5.711 1.332 0.703 0.576 0.857 0.571 CA 1.032 Z: 18 7.740 1.615 0.556 0.379 0.765 0.294 N 1.111 18 residues pruned to eliminate duplicates Z: 138 55.283 2.070 0.595 0.591 0.905 0.526 CB 1.448 138 residues pruned to eliminate duplicates Z: 40 22.743 1.951 0.565 0.430 0.846 0.487 CB 1.516 40 residues pruned to eliminate duplicates Z: 88 48.146 2.176 0.634 0.588 0.931 0.678 CB 1.434 88 residues pruned to eliminate duplicates Z: 8 2.664 1.381 0.279 0.356 0.857 0.571 CB 0.776 8 residues pruned to eliminate duplicates Z: 15 19.598 1.749 1.013 0.876 1.000 0.429 CB 1.081 15 residues pruned to eliminate duplicates Z: 12 14.213 1.959 0.412 0.925 0.818 0.818 CA 1.329 12 residues pruned to eliminate duplicates Z: 12 13.083 1.822 0.136 0.892 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 10 9.272 1.727 0.179 0.873 1.000 0.667 CB 1.106 10 residues pruned to eliminate duplicates Z: 19 7.064 1.931 0.020 0.527 0.778 0.611 CB 1.057 19 residues pruned to eliminate duplicates Z: 7 3.554 1.451 0.632 0.269 0.833 0.500 N 0.957 Z: 18 20.703 1.946 0.467 0.882 0.941 0.882 CA 1.352 18 residues pruned to eliminate duplicates Z: 14 18.610 1.810 0.773 0.855 0.923 0.615 CB 1.286 14 residues pruned to eliminate duplicates Z: 9 11.239 1.691 0.412 0.876 1.000 0.625 CB 1.210 9 residues pruned to eliminate duplicates Z: 6 7.191 1.658 0.264 0.611 1.000 0.800 O 1.381 Z: 23 15.319 1.916 0.396 0.650 0.818 0.636 CB 1.297 23 residues pruned to eliminate duplicates Z: 17 31.518 2.072 1.085 0.901 1.000 0.562 CB 1.302 17 residues pruned to eliminate duplicates Z: 56 37.773 2.150 0.609 0.577 0.945 0.709 CB 1.446 56 residues pruned to eliminate duplicates Z: 6 5.582 1.596 0.586 0.864 1.000 1.000 CB 0.723 6 residues pruned to eliminate duplicates Z: 45 44.354 2.077 0.771 0.795 0.955 0.614 CB 1.470 45 residues pruned to eliminate duplicates Z: 61 29.004 2.018 0.483 0.521 0.900 0.483 CB 1.362 58 residues pruned to eliminate duplicates Z: 20 40.925 2.221 0.994 0.901 1.000 0.526 CB 1.514 20 residues pruned to eliminate duplicates Z: 69 46.605 1.980 0.832 0.717 0.912 0.618 CB 1.404 69 residues pruned to eliminate duplicates Z: 13 27.727 2.093 0.848 0.929 1.000 0.667 CB 1.447 13 residues pruned to eliminate duplicates Z: 33 28.736 2.076 0.664 0.623 0.969 0.562 CA 1.352 33 residues pruned to eliminate duplicates Z: 9 6.356 1.739 0.649 0.416 0.875 0.750 CB 0.977 9 residues pruned to eliminate duplicates Z: 12 9.321 1.558 0.314 0.818 1.000 0.727 CB 1.041 12 residues pruned to eliminate duplicates Z: 6 9.645 1.733 0.993 0.661 1.000 0.800 CA 1.076 6 residues pruned to eliminate duplicates Z: 33 26.569 2.013 0.694 0.596 0.938 0.719 CB 1.341 33 residues pruned to eliminate duplicates Z: 67 35.314 2.096 0.536 0.536 0.909 0.652 CB 1.434 67 residues pruned to eliminate duplicates Z: 8 7.193 1.582 0.213 0.750 1.000 0.857 CB 1.133 8 residues pruned to eliminate duplicates Z: 13 16.568 2.054 0.453 0.831 1.000 0.417 CB 1.204 13 residues pruned to eliminate duplicates Z: 17 20.406 2.011 0.783 0.854 0.938 0.562 CB 1.121 17 residues pruned to eliminate duplicates Z: 12 12.313 1.825 0.179 0.874 1.000 0.818 CB 1.256 12 residues pruned to eliminate duplicates Z: 33 23.225 2.004 0.524 0.656 0.906 0.625 CB 1.283 33 residues pruned to eliminate duplicates Z: 10 10.759 1.945 0.417 0.810 0.889 0.778 CB 1.118 10 residues pruned to eliminate duplicates Z: 14 11.465 1.698 0.556 0.719 0.923 0.692 CB 1.070 12 residues pruned to eliminate duplicates Z: 11 10.467 1.665 0.339 0.892 1.000 0.900 CB 1.066 11 residues pruned to eliminate duplicates Z: 17 23.351 1.987 0.360 0.936 1.000 0.938 CA 1.504 17 residues pruned to eliminate duplicates Z: 65 45.982 2.071 0.658 0.726 0.953 0.562 CB 1.432 67 residues pruned to eliminate duplicates Z: 28 17.296 1.874 0.705 0.492 0.889 0.593 CB 1.181 28 residues pruned to eliminate duplicates Z: 8 13.210 1.859 0.735 0.761 1.000 0.714 CB 1.228 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 67 38.453 2.090 0.548 0.565 0.955 0.561 CB 1.439 67 residues pruned to eliminate duplicates Z: 35 27.725 2.099 0.880 0.640 0.853 0.471 CB 1.240 35 residues pruned to eliminate duplicates Z: 13 12.954 2.182 0.578 0.661 0.833 0.333 CB 1.123 13 residues pruned to eliminate duplicates Z: 14 12.513 2.076 0.678 0.618 0.923 0.308 CB 0.965 14 residues pruned to eliminate duplicates Z: 10 13.767 2.269 0.476 0.568 1.000 0.222 CB 1.283 10 residues pruned to eliminate duplicates Z: 15 12.112 2.110 0.623 0.627 0.857 0.429 CB 0.978 16 residues pruned to eliminate duplicates Z: 11 15.799 1.990 0.736 0.700 0.800 0.500 CB 1.507 11 residues pruned to eliminate duplicates Z: 10 18.161 2.092 0.764 0.834 1.000 0.889 CA 1.229 10 residues pruned to eliminate duplicates Z: 12 10.674 1.942 0.434 0.356 1.000 0.545 CA 1.351 13 residues pruned to eliminate duplicates Z: 8 3.960 1.281 0.731 0.418 1.000 0.571 CA 0.735 10 residues pruned to eliminate duplicates Z: 8 5.297 1.674 1.046 0.479 0.857 0.571 CB 0.697 8 residues pruned to eliminate duplicates Z: 12 10.342 1.797 0.646 0.439 0.909 0.545 CB 1.235 12 residues pruned to eliminate duplicates Z: 10 12.591 2.024 0.783 0.382 0.889 0.556 CA 1.484 9 residues pruned to eliminate duplicates Z: 7 6.866 1.647 0.615 0.515 0.833 0.333 CA 1.245 Z: 6 5.705 1.633 0.455 0.293 1.000 0.400 N 1.354 5 residues pruned to eliminate duplicates Z: 14 14.696 1.968 0.109 0.819 1.000 0.692 CB 1.415 16 residues pruned to eliminate duplicates Z: 19 19.135 1.773 0.328 0.877 1.000 0.556 CA 1.391 19 residues pruned to eliminate duplicates Z: 33 24.684 1.914 0.612 0.563 0.969 0.531 CB 1.373 36 residues pruned to eliminate duplicates Z: 18 21.201 1.816 0.537 0.946 1.000 0.647 CB 1.274 18 residues pruned to eliminate duplicates Z: 35 22.633 1.900 0.561 0.526 0.971 0.412 CB 1.314 36 residues pruned to eliminate duplicates Z: 18 19.877 1.833 0.376 0.895 1.000 0.647 CB 1.370 18 residues pruned to eliminate duplicates Z: 23 24.796 1.877 0.667 0.753 0.955 0.455 CB 1.412 23 residues pruned to eliminate duplicates Z: 18 23.451 1.839 0.669 0.910 1.000 0.471 CB 1.315 18 residues pruned to eliminate duplicates Z: 34 24.684 1.876 0.629 0.577 1.000 0.515 CB 1.306 32 residues pruned to eliminate duplicates Z: 18 28.798 1.868 0.965 0.910 1.000 0.588 CB 1.349 18 residues pruned to eliminate duplicates Z: 32 26.970 1.940 0.715 0.559 1.000 0.323 CB 1.375 34 residues pruned to eliminate duplicates Z: 13 20.158 1.768 1.095 0.927 0.917 0.500 CB 1.201 13 residues pruned to eliminate duplicates Z: 19 23.563 1.731 0.841 0.920 0.944 0.500 CB 1.299 19 residues pruned to eliminate duplicates Z: 24 23.807 1.896 0.598 0.720 0.957 0.391 CB 1.405 24 residues pruned to eliminate duplicates Z: 22 28.834 1.919 0.849 0.797 1.000 0.429 CB 1.367 22 residues pruned to eliminate duplicates Z: 28 21.450 1.867 0.753 0.607 0.852 0.259 CB 1.338 28 residues pruned to eliminate duplicates Z: 25 23.089 1.916 0.702 0.679 0.917 0.417 CB 1.337 25 residues pruned to eliminate duplicates Z: 26 30.238 2.090 0.696 0.701 0.920 0.680 CB 1.545 26 residues pruned to eliminate duplicates Z: 28 22.379 1.992 0.477 0.658 0.889 0.593 CA 1.423 28 residues pruned to eliminate duplicates Z: 29 22.674 1.983 0.519 0.627 0.857 0.607 CB 1.473 29 residues pruned to eliminate duplicates Z: 24 22.263 2.030 0.570 0.630 0.913 0.478 CA 1.412 24 residues pruned to eliminate duplicates Z: 12 9.149 1.960 0.573 0.215 0.818 0.273 CA 1.529 12 residues pruned to eliminate duplicates Z: 22 17.205 1.969 0.426 0.602 0.905 0.762 CB 1.342 22 residues pruned to eliminate duplicates Z: 24 21.761 2.069 0.604 0.590 0.870 0.565 CB 1.444 24 residues pruned to eliminate duplicates Z: 27 27.046 2.052 0.546 0.679 0.923 0.500 CB 1.537 27 residues pruned to eliminate duplicates Z: 29 18.794 1.990 0.433 0.548 0.857 0.607 CA 1.386 29 residues pruned to eliminate duplicates Z: 25 21.621 2.004 0.334 0.746 0.958 0.417 CB 1.382 25 residues pruned to eliminate duplicates Z: 27 27.317 2.027 0.606 0.679 0.962 0.462 CB 1.451 27 residues pruned to eliminate duplicates Z: 34 23.432 1.986 0.797 0.611 0.818 0.545 CB 1.257 34 residues pruned to eliminate duplicates Z: 28 29.395 2.001 0.760 0.679 0.963 0.333 CB 1.415 28 residues pruned to eliminate duplicates Z: 93 52.188 2.043 0.739 0.696 0.913 0.424 CB 1.403 93 residues pruned to eliminate duplicates Z: 20 20.388 1.985 0.729 0.827 0.789 0.579 CB 1.301 20 residues pruned to eliminate duplicates Z: 25 22.628 1.958 0.704 0.689 0.833 0.375 CB 1.398 25 residues pruned to eliminate duplicates Z: 20 22.963 1.992 0.731 0.836 0.895 0.368 CB 1.279 20 residues pruned to eliminate duplicates Z: 28 29.644 1.994 0.702 0.699 0.963 0.481 CB 1.456 28 residues pruned to eliminate duplicates Z: 25 24.556 2.016 0.603 0.695 0.917 0.417 CB 1.416 25 residues pruned to eliminate duplicates Z: 21 22.540 1.927 0.614 0.855 0.950 0.350 CB 1.259 21 residues pruned to eliminate duplicates Z: 20 19.383 1.984 0.579 0.808 0.842 0.211 CB 1.289 20 residues pruned to eliminate duplicates Z: 26 28.869 2.084 0.728 0.705 0.920 0.360 CB 1.446 26 residues pruned to eliminate duplicates Z: 26 26.276 2.068 0.741 0.703 0.840 0.440 CB 1.444 26 residues pruned to eliminate duplicates Z: 24 17.841 1.848 0.789 0.693 0.870 0.435 CB 1.084 24 residues pruned to eliminate duplicates Z: 20 26.551 1.991 0.889 0.814 0.947 0.526 CA 1.301 20 residues pruned to eliminate duplicates Z: 34 32.571 2.023 0.650 0.753 0.939 0.515 CA 1.443 34 residues pruned to eliminate duplicates Z: 33 35.262 2.074 0.627 0.748 0.969 0.594 CA 1.528 33 residues pruned to eliminate duplicates Z: 35 36.456 2.000 0.708 0.723 0.971 0.588 CA 1.542 35 residues pruned to eliminate duplicates Z: 17 30.452 2.075 0.991 0.879 0.875 0.562 CA 1.527 17 residues pruned to eliminate duplicates Z: 33 34.589 2.026 0.564 0.773 1.000 0.594 CA 1.516 33 residues pruned to eliminate duplicates Z: 35 32.508 1.985 0.652 0.694 0.971 0.529 CB 1.467 35 residues pruned to eliminate duplicates Z: 33 32.977 2.040 0.704 0.776 0.906 0.688 CA 1.450 33 residues pruned to eliminate duplicates Z: 19 21.332 1.956 0.877 0.786 0.889 0.556 CA 1.198 19 residues pruned to eliminate duplicates Z: 35 32.280 2.001 0.653 0.735 0.941 0.618 CA 1.440 35 residues pruned to eliminate duplicates Z: 34 31.481 2.006 0.671 0.754 0.909 0.606 CA 1.434 34 residues pruned to eliminate duplicates Z: 33 28.149 1.969 0.671 0.739 0.906 0.500 CA 1.347 33 residues pruned to eliminate duplicates Z: 20 24.531 1.975 1.031 0.755 0.789 0.579 CA 1.416 20 residues pruned to eliminate duplicates Z: 20 24.469 1.972 0.926 0.757 0.895 0.421 CA 1.315 20 residues pruned to eliminate duplicates Z: 32 35.114 2.040 0.571 0.790 0.968 0.645 CA 1.576 32 residues pruned to eliminate duplicates Z: 34 34.934 2.009 0.692 0.728 0.970 0.515 CA 1.502 34 residues pruned to eliminate duplicates Z: 34 29.847 1.996 0.654 0.754 0.879 0.485 CA 1.428 34 residues pruned to eliminate duplicates Z: 35 32.727 2.009 0.599 0.699 0.941 0.441 CA 1.548 35 residues pruned to eliminate duplicates Z: 33 36.751 2.067 0.727 0.747 0.938 0.500 CA 1.556 33 residues pruned to eliminate duplicates Z: 34 33.141 2.040 0.714 0.733 0.909 0.394 CA 1.472 34 residues pruned to eliminate duplicates Z: 18 14.155 1.944 0.128 0.597 0.941 0.471 CB 1.517 18 residues pruned to eliminate duplicates Z: 33 33.752 2.018 0.706 0.754 0.969 0.531 CA 1.426 32 residues pruned to eliminate duplicates Z: 19 20.086 2.062 0.326 0.861 0.944 0.556 CB 1.347 19 residues pruned to eliminate duplicates Z: 33 38.903 2.055 0.743 0.739 1.000 0.438 CA 1.551 33 residues pruned to eliminate duplicates Z: 32 33.511 2.047 0.763 0.729 0.871 0.452 CA 1.557 32 residues pruned to eliminate duplicates Z: 33 37.732 2.063 0.880 0.724 0.906 0.375 CB 1.550 34 residues pruned to eliminate duplicates Z: 13 21.647 2.138 0.805 0.908 0.917 0.333 CB 1.255 13 residues pruned to eliminate duplicates Z: 130 66.614 2.095 0.699 0.680 0.953 0.605 CB 1.465 129 residues pruned to eliminate duplicates Z: 19 27.743 2.065 0.906 0.888 0.944 0.500 CB 1.268 19 residues pruned to eliminate duplicates Z: 62 41.401 2.028 0.686 0.731 0.885 0.361 CB 1.422 62 residues pruned to eliminate duplicates Z: 123 57.047 2.096 0.588 0.665 0.934 0.631 CB 1.424 123 residues pruned to eliminate duplicates Z: 69 42.301 2.016 0.650 0.720 0.941 0.441 CB 1.343 69 residues pruned to eliminate duplicates Z: 61 42.280 2.053 0.669 0.768 0.900 0.517 CB 1.397 61 residues pruned to eliminate duplicates Z: 33 34.906 2.161 0.697 0.812 0.906 0.562 CB 1.415 33 residues pruned to eliminate duplicates Z: 65 52.116 2.119 0.738 0.759 0.969 0.516 CB 1.450 65 residues pruned to eliminate duplicates Z: 62 46.016 2.044 0.714 0.771 0.934 0.590 CB 1.416 62 residues pruned to eliminate duplicates Z: 41 26.748 2.067 0.548 0.662 0.850 0.550 CB 1.339 41 residues pruned to eliminate duplicates Z: 49 36.470 2.098 0.613 0.723 0.938 0.542 CB 1.357 49 residues pruned to eliminate duplicates Z: 50 35.018 2.076 0.603 0.692 0.918 0.551 CB 1.373 50 residues pruned to eliminate duplicates Z: 46 41.136 2.071 0.801 0.777 0.933 0.511 CB 1.379 46 residues pruned to eliminate duplicates Z: 37 33.154 2.111 0.671 0.786 0.917 0.583 CB 1.329 37 residues pruned to eliminate duplicates Z: 63 47.451 2.039 0.748 0.744 0.952 0.548 CB 1.429 64 residues pruned to eliminate duplicates Z: 6 2.567 1.403 0.532 0.472 0.800 0.400 CB 0.687 6 residues pruned to eliminate duplicates Z: 60 45.266 2.070 0.690 0.790 0.898 0.525 CB 1.454 60 residues pruned to eliminate duplicates Z: 61 43.346 2.053 0.604 0.774 0.933 0.617 CB 1.429 61 residues pruned to eliminate duplicates Z: 42 28.274 2.090 0.488 0.728 0.878 0.561 CB 1.318 42 residues pruned to eliminate duplicates Z: 21 26.493 2.141 0.537 0.738 0.950 0.650 CB 1.531 21 residues pruned to eliminate duplicates Z: 61 41.614 2.065 0.635 0.759 0.917 0.450 CB 1.379 61 residues pruned to eliminate duplicates Z: 60 44.161 2.088 0.638 0.792 0.898 0.576 CB 1.450 60 residues pruned to eliminate duplicates Z: 59 49.117 2.108 0.718 0.787 0.931 0.483 CB 1.486 59 residues pruned to eliminate duplicates Z: 65 50.655 2.113 0.708 0.761 0.938 0.547 CB 1.484 65 residues pruned to eliminate duplicates Z: 67 47.541 2.083 0.687 0.753 0.924 0.470 CB 1.438 67 residues pruned to eliminate duplicates Z: 66 44.206 2.055 0.704 0.710 0.908 0.508 CB 1.427 66 residues pruned to eliminate duplicates Z: 47 36.775 2.137 0.545 0.746 0.957 0.587 CB 1.378 47 residues pruned to eliminate duplicates Z: 66 49.959 2.096 0.708 0.756 0.954 0.569 CB 1.446 66 residues pruned to eliminate duplicates Z: 64 40.745 2.125 0.566 0.696 0.921 0.635 CB 1.402 64 residues pruned to eliminate duplicates Z: 65 46.157 2.108 0.629 0.768 0.922 0.531 CB 1.438 65 residues pruned to eliminate duplicates Z: 22 18.415 2.097 0.385 0.685 0.857 0.571 CB 1.363 22 residues pruned to eliminate duplicates Z: 66 50.366 2.095 0.739 0.771 0.954 0.523 CB 1.415 66 residues pruned to eliminate duplicates Z: 21 26.155 2.156 0.679 0.709 0.950 0.800 CB 1.406 21 residues pruned to eliminate duplicates Z: 65 47.688 2.107 0.711 0.753 0.906 0.516 CB 1.456 65 residues pruned to eliminate duplicates Z: 66 50.369 2.082 0.736 0.773 0.985 0.569 CB 1.380 66 residues pruned to eliminate duplicates Z: 64 50.807 2.119 0.795 0.754 0.952 0.508 CB 1.409 64 residues pruned to eliminate duplicates Z: 123 57.719 2.080 0.606 0.645 0.934 0.590 CB 1.463 123 residues pruned to eliminate duplicates Z: 79 56.120 2.111 0.758 0.736 0.962 0.564 CB 1.441 79 residues pruned to eliminate duplicates Z: 37 26.457 2.077 0.559 0.609 0.917 0.556 CB 1.340 37 residues pruned to eliminate duplicates Z: 58 38.143 2.087 0.554 0.558 0.947 0.667 CB 1.553 58 residues pruned to eliminate duplicates Z: 90 46.149 2.097 0.613 0.619 0.944 0.640 CB 1.368 90 residues pruned to eliminate duplicates Z: 109 51.865 2.124 0.611 0.655 0.935 0.620 CB 1.350 109 residues pruned to eliminate duplicates Z: 16 19.656 2.108 0.703 0.611 0.867 0.533 CB 1.469 16 residues pruned to eliminate duplicates Z: 128 62.555 2.097 0.626 0.649 0.969 0.583 CB 1.463 128 residues pruned to eliminate duplicates Z: 68 37.890 2.095 0.584 0.536 0.925 0.687 CB 1.455 68 residues pruned to eliminate duplicates Z: 78 51.247 2.090 0.678 0.749 0.935 0.597 CB 1.427 78 residues pruned to eliminate duplicates Z: 59 36.168 2.091 0.510 0.573 0.948 0.672 CB 1.478 59 residues pruned to eliminate duplicates Z: 123 62.209 2.103 0.629 0.673 0.967 0.615 CB 1.449 123 residues pruned to eliminate duplicates Z: 24 25.934 2.101 0.661 0.676 0.913 0.739 CB 1.443 24 residues pruned to eliminate duplicates Z: 130 65.448 2.115 0.671 0.666 0.946 0.620 CB 1.479 130 residues pruned to eliminate duplicates Z: 67 40.011 2.111 0.577 0.546 0.970 0.682 CB 1.458 67 residues pruned to eliminate duplicates Z: 108 51.324 2.117 0.544 0.646 0.944 0.598 CB 1.403 108 residues pruned to eliminate duplicates Z: 112 51.427 2.096 0.564 0.620 0.928 0.559 CB 1.432 112 residues pruned to eliminate duplicates Z: 68 40.535 2.097 0.630 0.559 0.955 0.612 CB 1.432 68 residues pruned to eliminate duplicates Z: 123 60.522 2.108 0.604 0.666 0.951 0.639 CB 1.462 123 residues pruned to eliminate duplicates Z: 58 37.359 2.066 0.566 0.566 0.947 0.561 CB 1.514 58 residues pruned to eliminate duplicates Z: 67 36.686 2.085 0.595 0.559 0.879 0.636 CB 1.459 67 residues pruned to eliminate duplicates Z: 135 60.905 2.096 0.618 0.667 0.940 0.545 CB 1.413 135 residues pruned to eliminate duplicates Z: 100 52.888 2.125 0.644 0.649 0.929 0.616 CB 1.425 100 residues pruned to eliminate duplicates Z: 116 62.082 2.091 0.726 0.673 0.939 0.609 CB 1.456 116 residues pruned to eliminate duplicates Z: 49 31.911 2.103 0.615 0.560 0.896 0.625 CB 1.428 49 residues pruned to eliminate duplicates Z: 6 7.163 1.598 1.073 0.403 1.000 0.800 CA 1.070 6 residues pruned to eliminate duplicates Z: 66 43.920 2.125 0.729 0.594 0.923 0.538 CB 1.468 66 residues pruned to eliminate duplicates Z: 39 29.584 2.089 0.570 0.510 0.947 0.605 CB 1.530 39 residues pruned to eliminate duplicates Z: 36 26.643 2.111 0.452 0.532 0.943 0.600 CB 1.510 36 residues pruned to eliminate duplicates Z: 39 26.305 2.069 0.481 0.504 0.921 0.553 CB 1.507 39 residues pruned to eliminate duplicates Z: 36 29.511 2.096 0.519 0.507 1.000 0.571 CA 1.555 36 residues pruned to eliminate duplicates Z: 45 27.677 2.104 0.406 0.511 0.909 0.523 CB 1.534 45 residues pruned to eliminate duplicates Z: 99 51.054 2.085 0.564 0.676 0.939 0.592 CB 1.433 99 residues pruned to eliminate duplicates Z: 101 54.045 2.060 0.663 0.655 0.940 0.520 CB 1.454 101 residues pruned to eliminate duplicates Z: 66 39.823 2.132 0.561 0.583 0.908 0.569 CB 1.510 66 residues pruned to eliminate duplicates Z: 106 57.132 2.112 0.631 0.672 0.952 0.581 CB 1.449 106 residues pruned to eliminate duplicates Z: 58 39.933 2.093 0.626 0.550 0.965 0.684 CB 1.534 58 residues pruned to eliminate duplicates Z: 67 37.088 2.052 0.628 0.532 0.939 0.530 CB 1.409 67 residues pruned to eliminate duplicates Z: 45 29.201 2.088 0.523 0.500 0.932 0.568 CB 1.485 45 residues pruned to eliminate duplicates Z: 46 29.310 2.044 0.598 0.480 0.933 0.533 CB 1.463 46 residues pruned to eliminate duplicates Z: 69 32.686 2.031 0.605 0.478 0.853 0.588 CB 1.458 69 residues pruned to eliminate duplicates Z: 122 57.013 2.093 0.608 0.656 0.917 0.595 CB 1.451 122 residues pruned to eliminate duplicates Z: 48 36.022 2.144 0.648 0.582 0.957 0.553 CB 1.435 48 residues pruned to eliminate duplicates Z: 7 5.724 1.687 0.295 0.484 1.000 0.333 CA 1.087 7 residues pruned to eliminate duplicates Z: 56 30.868 2.095 0.593 0.520 0.855 0.509 CB 1.431 56 residues pruned to eliminate duplicates Z: 37 24.502 2.020 0.596 0.427 0.944 0.500 CB 1.446 37 residues pruned to eliminate duplicates Z: 43 32.893 2.133 0.516 0.535 0.952 0.548 CB 1.592 43 residues pruned to eliminate duplicates Z: 46 23.021 2.025 0.522 0.442 0.867 0.556 CB 1.364 46 residues pruned to eliminate duplicates Z: 52 26.129 2.092 0.491 0.489 0.863 0.588 CB 1.375 52 residues pruned to eliminate duplicates Z: 35 27.106 2.124 0.476 0.531 0.912 0.676 CB 1.577 35 residues pruned to eliminate duplicates Z: 13 15.577 2.126 0.487 0.501 0.917 0.667 CB 1.550 13 residues pruned to eliminate duplicates Z: 65 40.609 2.092 0.681 0.563 0.922 0.547 CB 1.474 65 residues pruned to eliminate duplicates Z: 39 28.087 2.119 0.637 0.499 0.868 0.500 CB 1.514 39 residues pruned to eliminate duplicates Z: 48 27.547 2.130 0.475 0.414 0.915 0.489 CB 1.529 48 residues pruned to eliminate duplicates Z: 26 17.486 2.053 0.497 0.323 0.920 0.600 CB 1.502 41 residues pruned to eliminate duplicates Z: 7 8.894 2.084 0.771 0.316 0.833 0.667 CA 1.447 7 residues pruned to eliminate duplicates Z: 32 29.493 2.121 0.617 0.642 1.000 0.742 CA 1.352 32 residues pruned to eliminate duplicates Z: 32 27.959 2.116 0.666 0.587 0.968 0.419 CA 1.353 32 residues pruned to eliminate duplicates Z: 32 30.355 2.113 0.732 0.649 0.968 0.677 CA 1.340 32 residues pruned to eliminate duplicates Z: 17 14.653 2.150 0.546 0.345 0.938 0.500 CB 1.390 17 residues pruned to eliminate duplicates Z: 32 29.432 2.114 0.711 0.654 0.968 0.710 CA 1.308 32 residues pruned to eliminate duplicates Z: 81 39.147 2.049 0.542 0.522 0.925 0.550 CB 1.465 81 residues pruned to eliminate duplicates Z: 137 62.732 2.109 0.637 0.622 0.941 0.559 CB 1.476 137 residues pruned to eliminate duplicates Z: 50 28.438 2.078 0.544 0.430 0.898 0.612 CB 1.516 50 residues pruned to eliminate duplicates Z: 32 28.299 2.112 0.646 0.629 0.968 0.677 CA 1.338 32 residues pruned to eliminate duplicates Z: 33 27.511 2.072 0.661 0.619 0.938 0.750 CB 1.347 33 residues pruned to eliminate duplicates Z: 60 35.046 2.108 0.567 0.491 0.932 0.542 CB 1.496 60 residues pruned to eliminate duplicates Z: 27 24.525 2.150 0.601 0.551 0.962 0.692 CB 1.382 27 residues pruned to eliminate duplicates Z: 32 32.422 2.142 0.711 0.644 1.000 0.710 CB 1.389 32 residues pruned to eliminate duplicates Z: 33 29.863 2.059 0.695 0.638 1.000 0.594 CA 1.329 33 residues pruned to eliminate duplicates Z: 32 29.934 2.114 0.674 0.641 1.000 0.677 CB 1.331 32 residues pruned to eliminate duplicates Z: 114 48.922 2.068 0.581 0.579 0.929 0.628 CB 1.404 114 residues pruned to eliminate duplicates Z: 27 31.992 2.171 0.831 0.675 0.962 0.654 CA 1.398 27 residues pruned to eliminate duplicates Z: 33 30.068 2.087 0.829 0.613 0.938 0.719 CA 1.335 33 residues pruned to eliminate duplicates Z: 67 38.140 2.037 0.626 0.550 0.955 0.606 CB 1.414 67 residues pruned to eliminate duplicates Z: 70 39.951 2.042 0.708 0.511 0.942 0.565 CB 1.448 70 residues pruned to eliminate duplicates Z: 32 32.848 2.135 0.784 0.649 0.968 0.677 CB 1.393 32 residues pruned to eliminate duplicates Z: 66 42.031 2.083 0.672 0.559 0.954 0.600 CB 1.483 66 residues pruned to eliminate duplicates Z: 32 32.817 2.144 0.800 0.647 0.935 0.742 CB 1.424 32 residues pruned to eliminate duplicates Z: 33 31.837 2.077 0.817 0.616 1.000 0.625 CB 1.336 33 residues pruned to eliminate duplicates Z: 32 31.096 2.113 0.768 0.648 0.968 0.581 CB 1.346 32 residues pruned to eliminate duplicates Z: 31 36.637 2.161 0.882 0.651 1.000 0.667 CB 1.429 31 residues pruned to eliminate duplicates Z: 32 33.218 2.135 0.807 0.621 0.968 0.677 CA 1.426 32 residues pruned to eliminate duplicates Z: 13 10.995 1.784 0.465 0.749 0.917 0.750 CB 1.060 13 residues pruned to eliminate duplicates Z: 11 9.785 1.607 0.516 0.857 1.000 0.800 CA 0.936 11 residues pruned to eliminate duplicates Z: 12 7.768 1.667 0.353 0.796 0.909 0.818 CB 0.881 12 residues pruned to eliminate duplicates Z: 11 13.790 1.775 0.539 0.868 1.000 0.700 CB 1.167 11 residues pruned to eliminate duplicates Z: 10 12.350 1.720 0.545 0.894 1.000 0.889 CB 1.111 10 residues pruned to eliminate duplicates Z: 25 18.345 1.879 0.491 0.644 0.875 0.625 CB 1.335 35 residues pruned to eliminate duplicates Z: 9 7.930 1.719 0.450 0.826 0.875 0.375 CB 0.969 9 residues pruned to eliminate duplicates Z: 14 8.875 1.742 0.352 0.661 0.923 0.462 CB 0.975 14 residues pruned to eliminate duplicates Z: 14 7.525 1.766 0.195 0.669 0.846 0.538 CB 0.999 14 residues pruned to eliminate duplicates Z: 34 19.572 1.901 0.492 0.647 0.848 0.576 CB 1.234 34 residues pruned to eliminate duplicates Z: 12 9.566 1.790 0.202 0.789 0.909 0.545 CB 1.144 12 residues pruned to eliminate duplicates Z: 16 9.221 1.807 0.205 0.570 0.867 0.467 CA 1.179 16 residues pruned to eliminate duplicates Z: 19 22.268 1.995 0.567 0.801 0.889 0.722 CB 1.451 19 residues pruned to eliminate duplicates Z: 12 19.236 1.944 0.684 0.751 1.000 0.909 CA 1.415 12 residues pruned to eliminate duplicates Z: 16 24.338 2.052 0.484 0.919 1.000 0.733 CA 1.455 16 residues pruned to eliminate duplicates Z: 27 23.272 1.946 0.481 0.718 0.923 0.692 CA 1.409 27 residues pruned to eliminate duplicates Z: 18 25.061 2.013 0.623 0.871 0.941 0.765 CA 1.441 18 residues pruned to eliminate duplicates Z: 31 26.681 1.961 0.470 0.745 0.967 0.700 CB 1.404 31 residues pruned to eliminate duplicates Z: 16 30.055 2.056 0.710 0.935 1.000 0.800 CA 1.539 16 residues pruned to eliminate duplicates Z: 66 42.918 2.038 0.592 0.736 0.923 0.646 CB 1.438 66 residues pruned to eliminate duplicates Z: 84 50.186 2.065 0.608 0.746 0.940 0.699 CB 1.416 84 residues pruned to eliminate duplicates Z: 20 24.556 2.004 0.582 0.835 0.895 0.684 CB 1.487 20 residues pruned to eliminate duplicates Z: 18 25.907 1.984 0.781 0.827 0.941 0.706 CB 1.424 18 residues pruned to eliminate duplicates Z: 28 27.997 1.957 0.608 0.740 0.963 0.593 CB 1.434 28 residues pruned to eliminate duplicates Z: 47 31.435 1.943 0.536 0.774 0.913 0.543 CB 1.336 47 residues pruned to eliminate duplicates Z: 80 49.397 2.038 0.667 0.737 0.937 0.582 CB 1.413 80 residues pruned to eliminate duplicates Z: 31 22.233 1.892 0.408 0.712 0.933 0.667 CB 1.347 31 residues pruned to eliminate duplicates Z: 133 53.706 2.069 0.561 0.614 0.932 0.621 CB 1.395 133 residues pruned to eliminate duplicates Z: 46 29.917 1.954 0.366 0.754 0.956 0.756 CA 1.394 47 residues pruned to eliminate duplicates Z: 21 25.089 2.007 0.591 0.811 0.950 0.600 CA 1.410 21 residues pruned to eliminate duplicates Z: 44 25.746 1.934 0.449 0.672 0.884 0.605 CA 1.353 44 residues pruned to eliminate duplicates Z: 135 56.973 2.062 0.597 0.641 0.910 0.590 CB 1.438 135 residues pruned to eliminate duplicates Z: 31 22.283 1.873 0.654 0.631 0.867 0.600 CB 1.341 31 residues pruned to eliminate duplicates Z: 83 46.911 2.050 0.659 0.700 0.915 0.646 CB 1.388 83 residues pruned to eliminate duplicates Z: 37 32.203 1.966 0.615 0.770 0.917 0.583 CB 1.452 37 residues pruned to eliminate duplicates Z: 44 29.802 1.996 0.398 0.747 0.907 0.581 CB 1.440 44 residues pruned to eliminate duplicates Z: 70 39.719 1.959 0.569 0.709 0.928 0.594 CB 1.387 70 residues pruned to eliminate duplicates Z: 68 45.596 1.990 0.669 0.746 0.940 0.687 CA 1.432 68 residues pruned to eliminate duplicates Z: 46 33.483 1.990 0.512 0.775 0.911 0.756 CB 1.428 46 residues pruned to eliminate duplicates Z: 44 33.868 1.961 0.669 0.781 0.930 0.698 CB 1.325 44 residues pruned to eliminate duplicates Z: 78 45.222 1.948 0.643 0.731 0.948 0.610 CB 1.380 77 residues pruned to eliminate duplicates Z: 17 25.125 2.025 0.611 0.938 0.938 0.625 CB 1.428 17 residues pruned to eliminate duplicates Z: 128 59.325 2.108 0.611 0.663 0.937 0.630 CB 1.422 128 residues pruned to eliminate duplicates Z: 105 49.169 2.113 0.521 0.602 0.923 0.625 CB 1.475 105 residues pruned to eliminate duplicates Z: 83 54.372 2.047 0.803 0.724 0.927 0.598 CB 1.434 83 residues pruned to eliminate duplicates Z: 65 52.850 2.034 0.850 0.760 0.953 0.594 CB 1.462 65 residues pruned to eliminate duplicates Z: 45 36.506 1.959 0.674 0.770 0.955 0.545 CB 1.384 45 residues pruned to eliminate duplicates Z: 133 58.964 2.097 0.635 0.638 0.932 0.667 CB 1.412 133 residues pruned to eliminate duplicates Z: 123 58.796 2.105 0.581 0.650 0.934 0.631 CB 1.488 123 residues pruned to eliminate duplicates Z: 109 48.888 2.096 0.596 0.616 0.898 0.620 CB 1.403 109 residues pruned to eliminate duplicates Z: 67 45.828 2.016 0.717 0.734 0.924 0.561 CB 1.429 67 residues pruned to eliminate duplicates Z: 45 39.880 1.981 0.810 0.741 0.955 0.500 CB 1.416 45 residues pruned to eliminate duplicates Z: 32 27.024 1.971 0.818 0.626 0.903 0.548 CB 1.333 32 residues pruned to eliminate duplicates Z: 43 31.089 1.988 0.615 0.637 0.952 0.690 CA 1.380 43 residues pruned to eliminate duplicates Z: 23 27.330 1.978 0.631 0.764 0.955 0.591 CB 1.497 23 residues pruned to eliminate duplicates Z: 93 54.692 2.159 0.734 0.629 0.924 0.728 CB 1.461 93 residues pruned to eliminate duplicates Z: 21 27.232 2.146 0.849 0.693 0.900 0.700 CB 1.429 21 residues pruned to eliminate duplicates Z: 67 47.295 1.989 0.802 0.743 0.939 0.576 CB 1.391 67 residues pruned to eliminate duplicates Z: 21 28.354 2.080 0.884 0.698 0.900 0.700 CB 1.500 21 residues pruned to eliminate duplicates Z: 34 39.855 2.201 0.832 0.713 0.939 0.697 CB 1.511 34 residues pruned to eliminate duplicates Z: 21 26.233 2.182 0.737 0.645 0.900 0.650 CB 1.502 21 residues pruned to eliminate duplicates Z: 83 46.314 2.157 0.627 0.584 0.939 0.707 CB 1.432 83 residues pruned to eliminate duplicates Z: 28 25.970 2.048 0.694 0.678 0.852 0.519 CB 1.435 28 residues pruned to eliminate duplicates Z: 82 43.798 1.989 0.685 0.716 0.901 0.605 CB 1.325 82 residues pruned to eliminate duplicates Z: 118 53.607 2.094 0.690 0.597 0.906 0.607 CB 1.409 118 residues pruned to eliminate duplicates Z: 88 44.932 2.161 0.630 0.562 0.920 0.655 CB 1.400 88 residues pruned to eliminate duplicates Z: 24 22.835 2.123 0.822 0.583 0.870 0.696 CB 1.307 24 residues pruned to eliminate duplicates Z: 22 19.621 2.140 0.349 0.675 0.952 0.762 CB 1.326 22 residues pruned to eliminate duplicates Z: 21 25.755 2.194 0.520 0.702 0.950 0.700 CB 1.513 21 residues pruned to eliminate duplicates Z: 21 28.081 2.113 0.653 0.690 1.000 0.700 CA 1.511 21 residues pruned to eliminate duplicates Z: 12 13.824 1.979 0.627 0.447 0.909 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 21 34.009 2.193 1.043 0.705 0.900 0.700 CB 1.564 21 residues pruned to eliminate duplicates Z: 12 13.248 2.083 0.568 0.499 0.909 0.727 CB 1.347 12 residues pruned to eliminate duplicates Z: 31 30.484 2.164 0.649 0.643 0.900 0.700 CB 1.517 31 residues pruned to eliminate duplicates Z: 77 45.323 2.193 0.549 0.589 0.961 0.632 CB 1.462 77 residues pruned to eliminate duplicates Z: 13 15.457 2.108 0.583 0.577 0.917 0.667 CA 1.355 13 residues pruned to eliminate duplicates Z: 81 51.712 2.045 0.748 0.726 0.938 0.625 CB 1.408 81 residues pruned to eliminate duplicates Z: 95 50.668 2.133 0.624 0.617 0.936 0.628 CB 1.443 95 residues pruned to eliminate duplicates Z: 70 43.371 2.148 0.620 0.550 0.957 0.652 CB 1.494 70 residues pruned to eliminate duplicates Z: 79 45.458 2.162 0.638 0.549 0.936 0.718 CB 1.481 79 residues pruned to eliminate duplicates Z: 59 39.483 2.160 0.588 0.568 0.983 0.621 CB 1.440 59 residues pruned to eliminate duplicates Z: 92 43.940 2.123 0.605 0.544 0.912 0.637 CB 1.419 92 residues pruned to eliminate duplicates Z: 85 52.453 2.058 0.723 0.718 0.929 0.690 CB 1.427 85 residues pruned to eliminate duplicates Z: 70 40.332 2.121 0.594 0.555 0.942 0.667 CB 1.446 70 residues pruned to eliminate duplicates Z: 57 40.938 2.207 0.615 0.584 0.929 0.679 CB 1.524 57 residues pruned to eliminate duplicates Z: 90 49.094 2.168 0.636 0.596 0.933 0.685 CB 1.436 90 residues pruned to eliminate duplicates Z: 68 37.731 2.178 0.583 0.536 0.910 0.672 CB 1.418 68 residues pruned to eliminate duplicates Z: 94 39.007 1.965 0.611 0.595 0.871 0.581 CB 1.340 94 residues pruned to eliminate duplicates Z: 13 31.840 2.173 1.019 0.924 1.000 0.667 CA 1.472 13 residues pruned to eliminate duplicates Z: 90 46.978 2.142 0.683 0.549 0.933 0.652 CB 1.413 90 residues pruned to eliminate duplicates Z: 57 43.396 2.210 0.580 0.598 0.982 0.714 CB 1.539 57 residues pruned to eliminate duplicates Z: 112 51.971 2.163 0.590 0.596 0.910 0.703 CB 1.438 112 residues pruned to eliminate duplicates Z: 82 44.364 2.161 0.634 0.560 0.926 0.667 CB 1.422 82 residues pruned to eliminate duplicates Z: 77 48.779 2.202 0.667 0.586 0.947 0.632 CB 1.481 77 residues pruned to eliminate duplicates Z: 56 27.523 2.148 0.429 0.490 0.873 0.564 CB 1.399 56 residues pruned to eliminate duplicates Z: 100 57.723 2.131 0.656 0.658 0.970 0.667 CB 1.464 100 residues pruned to eliminate duplicates Z: 49 29.724 2.148 0.419 0.547 0.938 0.646 CB 1.434 49 residues pruned to eliminate duplicates Z: 58 45.215 2.189 0.657 0.605 0.982 0.737 CB 1.521 58 residues pruned to eliminate duplicates Z: 45 31.439 2.166 0.424 0.534 1.000 0.705 CB 1.486 45 residues pruned to eliminate duplicates Z: 87 49.072 2.177 0.637 0.599 0.930 0.674 CB 1.452 87 residues pruned to eliminate duplicates Z: 30 31.668 2.116 0.741 0.584 0.966 0.586 CB 1.525 30 residues pruned to eliminate duplicates Z: 134 63.295 2.100 0.676 0.665 0.932 0.617 CB 1.435 134 residues pruned to eliminate duplicates Z: 79 48.982 2.146 0.719 0.574 0.962 0.641 CB 1.456 79 residues pruned to eliminate duplicates Z: 42 30.783 2.200 0.613 0.519 0.927 0.659 CB 1.435 42 residues pruned to eliminate duplicates Z: 37 29.011 2.196 0.512 0.535 0.944 0.722 CB 1.490 37 residues pruned to eliminate duplicates Z: 70 39.361 2.131 0.547 0.563 0.928 0.696 CB 1.459 70 residues pruned to eliminate duplicates Z: 69 39.504 2.124 0.642 0.569 0.941 0.588 CB 1.365 69 residues pruned to eliminate duplicates Z: 135 56.622 2.063 0.561 0.631 0.955 0.642 CB 1.406 135 residues pruned to eliminate duplicates Z: 71 37.728 2.117 0.602 0.551 0.900 0.614 CB 1.405 71 residues pruned to eliminate duplicates Z: 35 33.500 2.264 0.563 0.517 1.000 0.647 CB 1.597 35 residues pruned to eliminate duplicates Z: 23 29.518 2.138 0.687 0.607 0.955 0.636 CB 1.651 23 residues pruned to eliminate duplicates Z: 62 42.679 2.176 0.593 0.613 0.934 0.656 CB 1.516 62 residues pruned to eliminate duplicates Z: 48 40.815 2.147 0.716 0.649 0.936 0.702 CB 1.503 48 residues pruned to eliminate duplicates Z: 36 34.359 2.251 0.639 0.526 0.971 0.714 CB 1.580 36 residues pruned to eliminate duplicates Z: 80 43.638 2.118 0.634 0.543 0.962 0.557 CB 1.413 80 residues pruned to eliminate duplicates Z: 57 45.394 2.216 0.631 0.591 0.982 0.661 CB 1.567 57 residues pruned to eliminate duplicates Z: 116 50.256 2.089 0.646 0.600 0.904 0.617 CB 1.370 116 residues pruned to eliminate duplicates Z: 60 30.082 2.085 0.534 0.479 0.881 0.492 CB 1.419 60 residues pruned to eliminate duplicates Z: 59 44.663 2.149 0.728 0.588 0.948 0.586 CB 1.530 59 residues pruned to eliminate duplicates Z: 39 33.719 2.208 0.648 0.531 0.974 0.579 CB 1.498 39 residues pruned to eliminate duplicates Z: 62 40.439 2.104 0.692 0.561 0.951 0.541 CB 1.442 62 residues pruned to eliminate duplicates Z: 71 38.938 2.116 0.738 0.533 0.886 0.571 CB 1.383 71 residues pruned to eliminate duplicates Z: 58 39.952 2.140 0.719 0.581 0.930 0.667 CB 1.431 58 residues pruned to eliminate duplicates Z: 36 36.379 2.261 0.751 0.545 0.971 0.657 CB 1.530 36 residues pruned to eliminate duplicates Z: 128 58.456 2.081 0.717 0.645 0.906 0.598 CB 1.400 128 residues pruned to eliminate duplicates Z: 40 29.222 2.175 0.539 0.518 0.949 0.487 CB 1.448 40 residues pruned to eliminate duplicates Z: 131 65.241 2.109 0.715 0.654 0.946 0.623 CB 1.450 131 residues pruned to eliminate duplicates Z: 100 48.392 2.092 0.714 0.558 0.919 0.606 CB 1.394 100 residues pruned to eliminate duplicates Z: 47 27.427 2.135 0.608 0.508 0.891 0.478 CB 1.312 47 residues pruned to eliminate duplicates Z: 50 30.950 2.144 0.708 0.491 0.837 0.449 CB 1.456 50 residues pruned to eliminate duplicates Z: 58 41.854 2.151 0.721 0.585 0.930 0.632 CB 1.484 58 residues pruned to eliminate duplicates Z: 58 44.049 2.170 0.711 0.596 0.930 0.649 CB 1.542 58 residues pruned to eliminate duplicates Z: 19 21.808 2.172 0.618 0.483 0.944 0.667 CB 1.575 19 residues pruned to eliminate duplicates Z: 48 32.140 2.149 0.681 0.538 0.894 0.617 CB 1.400 48 residues pruned to eliminate duplicates Z: 19 10.429 1.902 0.456 0.501 0.778 0.556 CB 1.140 19 residues pruned to eliminate duplicates Z: 51 34.476 2.141 0.655 0.502 0.920 0.520 CB 1.492 51 residues pruned to eliminate duplicates Z: 6 6.032 1.974 0.107 0.878 1.000 1.000 CB 0.896 6 residues pruned to eliminate duplicates Z: 16 5.823 1.772 0.527 0.464 0.867 0.533 CB 0.665 16 residues pruned to eliminate duplicates Z: 14 10.008 1.968 0.811 0.564 0.846 0.538 CB 0.865 14 residues pruned to eliminate duplicates Z: 12 8.400 2.073 0.628 0.542 0.909 0.636 CB 0.792 12 residues pruned to eliminate duplicates Z: 94 52.554 2.148 0.681 0.619 0.946 0.645 CB 1.425 94 residues pruned to eliminate duplicates Z: 6 3.857 2.081 1.089 0.412 0.800 0.400 CB 0.544 6 residues pruned to eliminate duplicates Z: 19 13.890 2.073 0.499 0.588 0.944 0.556 CB 1.025 19 residues pruned to eliminate duplicates Z: 37 24.850 2.078 0.778 0.620 0.833 0.583 CB 1.201 37 residues pruned to eliminate duplicates Z: 21 10.530 1.823 0.654 0.393 0.850 0.450 CB 1.028 21 residues pruned to eliminate duplicates Z: 20 10.120 1.839 0.633 0.384 0.789 0.526 CB 1.108 20 residues pruned to eliminate duplicates Z: 31 29.661 2.117 0.874 0.610 0.900 0.633 CB 1.366 31 residues pruned to eliminate duplicates Z: 27 32.377 2.176 0.707 0.696 0.962 0.654 CA 1.487 28 residues pruned to eliminate duplicates Z: 6 2.964 1.799 0.404 0.352 0.400 0.200 CA 1.539 6 residues pruned to eliminate duplicates Z: 25 32.406 2.215 0.539 0.742 1.000 0.625 CB 1.563 25 residues pruned to eliminate duplicates Z: 27 34.739 2.159 0.711 0.735 1.000 0.808 CA 1.494 27 residues pruned to eliminate duplicates Z: 27 32.565 2.158 0.673 0.744 0.962 0.846 CA 1.479 27 residues pruned to eliminate duplicates Z: 27 35.760 2.125 0.762 0.746 1.000 0.808 CA 1.503 26 residues pruned to eliminate duplicates Z: 18 35.953 2.363 0.787 0.888 1.000 0.529 CB 1.487 18 residues pruned to eliminate duplicates Z: 26 36.328 2.178 0.808 0.760 0.960 0.680 CA 1.526 27 residues pruned to eliminate duplicates Z: 19 31.988 2.276 0.809 0.900 0.889 0.444 CB 1.471 19 residues pruned to eliminate duplicates Z: 26 40.473 2.189 0.873 0.751 1.000 0.600 CA 1.579 26 residues pruned to eliminate duplicates Z: 19 36.962 2.267 0.827 0.901 1.000 0.500 CB 1.501 19 residues pruned to eliminate duplicates Z: 27 39.746 2.156 0.872 0.737 1.000 0.654 CA 1.562 27 residues pruned to eliminate duplicates Z: 27 31.262 2.127 0.748 0.716 0.885 0.615 CB 1.533 27 residues pruned to eliminate duplicates Z: 25 34.982 2.208 0.848 0.740 0.917 0.750 CB 1.540 25 residues pruned to eliminate duplicates Z: 28 38.011 2.095 0.910 0.705 1.000 0.593 CB 1.517 27 residues pruned to eliminate duplicates Z: 18 42.047 2.369 1.071 0.916 1.000 0.706 CB 1.468 18 residues pruned to eliminate duplicates Z: 28 36.814 2.096 0.858 0.726 1.000 0.667 CB 1.484 28 residues pruned to eliminate duplicates Z: 28 33.671 2.089 0.870 0.705 0.926 0.593 CA 1.487 28 residues pruned to eliminate duplicates Z: 28 38.903 2.103 1.042 0.717 0.963 0.704 CB 1.488 28 residues pruned to eliminate duplicates Z: 22 42.405 2.116 1.306 0.910 0.952 0.762 CA 1.413 21 residues pruned to eliminate duplicates 387 residues left after pruning, divided into chains as follows: A: 33 B: 32 C: 151 D: 171 CC for partial structure against native data = 39.86 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.386, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.438, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.580, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2313 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 499 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 94 55.098 2.161 0.749 0.606 0.925 0.581 CB 1.479 B: 16 20.369 2.015 0.329 0.879 1.000 0.867 CA 1.424 C: 113 55.968 2.104 0.743 0.618 0.938 0.607 CB 1.375 94 residues pruned to eliminate duplicates D: 20 30.710 2.233 0.802 0.869 0.895 0.737 CA 1.429 E: 133 60.439 2.095 0.732 0.635 0.902 0.545 CB 1.417 113 residues pruned to eliminate duplicates F: 124 60.278 2.076 0.659 0.652 0.951 0.585 CB 1.440 G: 16 23.799 2.011 0.437 0.932 1.000 0.733 CB 1.485 16 residues pruned to eliminate duplicates H: 13 23.618 2.156 0.434 0.927 1.000 0.917 CB 1.546 13 residues pruned to eliminate duplicates I: 16 13.244 2.174 0.317 0.336 0.933 0.600 CB 1.531 J: 18 31.326 2.318 0.662 0.881 0.941 0.765 CA 1.517 19 residues pruned to eliminate duplicates K: 22 19.437 1.762 0.489 0.896 0.952 0.762 CA 1.216 18 residues pruned to eliminate duplicates L: 13 20.510 2.021 0.712 0.834 0.917 0.667 CB 1.399 13 residues pruned to eliminate duplicates M: 14 20.459 1.931 0.770 0.861 0.923 0.769 CA 1.322 14 residues pruned to eliminate duplicates N: 20 29.930 2.252 0.637 0.907 0.947 0.895 CA 1.397 20 residues pruned to eliminate duplicates O: 13 21.364 2.171 0.269 0.900 1.000 0.833 CB 1.599 13 residues pruned to eliminate duplicates P: 111 48.685 2.074 0.720 0.560 0.882 0.627 CB 1.393 105 residues pruned to eliminate duplicates Q: 17 20.660 1.997 0.285 0.929 0.938 0.812 CB 1.503 17 residues pruned to eliminate duplicates R: 20 21.315 1.860 0.434 0.869 1.000 0.842 CB 1.339 20 residues pruned to eliminate duplicates S: 69 42.528 2.138 0.746 0.577 0.926 0.588 CB 1.384 74 residues pruned to eliminate duplicates T: 16 11.756 2.108 0.697 0.364 0.800 0.400 CB 1.228 U: 17 15.557 1.951 0.109 0.885 1.000 0.875 CA 1.298 17 residues pruned to eliminate duplicates V: 17 21.282 1.982 0.453 0.863 0.938 0.812 CA 1.446 17 residues pruned to eliminate duplicates W: 19 31.371 2.255 1.089 0.869 0.889 0.500 CB 1.290 20 residues pruned to eliminate duplicates X: 21 19.137 1.848 0.440 0.862 0.950 0.850 CA 1.242 20 residues pruned to eliminate duplicates Y: 37 25.677 2.059 0.526 0.454 0.944 0.639 CB 1.511 37 residues pruned to eliminate duplicates Z: 11 23.228 2.156 0.580 0.926 1.000 0.800 CB 1.513 11 residues pruned to eliminate duplicates Z: 15 18.864 1.942 0.271 0.842 1.000 0.714 CB 1.523 15 residues pruned to eliminate duplicates Z: 12 12.582 1.799 0.755 0.899 0.909 0.818 CB 0.944 12 residues pruned to eliminate duplicates Z: 13 19.420 2.159 0.355 0.869 0.917 0.583 CB 1.527 13 residues pruned to eliminate duplicates Z: 12 24.480 2.280 0.356 0.929 1.000 0.909 CB 1.672 12 residues pruned to eliminate duplicates Z: 21 39.185 2.187 1.110 0.924 0.950 0.700 CB 1.404 18 residues pruned to eliminate duplicates Z: 17 17.207 1.859 0.192 0.917 1.000 0.812 CB 1.371 Z: 13 18.317 2.057 0.486 0.869 0.917 0.333 CB 1.378 13 residues pruned to eliminate duplicates Z: 20 27.189 2.199 0.617 0.844 0.895 0.474 CB 1.459 20 residues pruned to eliminate duplicates Z: 17 24.511 1.981 0.540 0.914 0.938 0.500 CB 1.515 17 residues pruned to eliminate duplicates Z: 19 35.056 2.319 0.825 0.892 0.944 0.556 CA 1.485 19 residues pruned to eliminate duplicates Z: 14 18.890 2.062 0.559 0.879 0.923 0.769 CB 1.281 14 residues pruned to eliminate duplicates Z: 19 28.494 2.230 0.568 0.874 0.944 0.778 CB 1.480 19 residues pruned to eliminate duplicates Z: 85 43.541 2.092 0.569 0.578 0.940 0.583 CB 1.427 85 residues pruned to eliminate duplicates Z: 6 6.000 1.695 0.211 0.751 1.000 0.800 CA 1.046 6 residues pruned to eliminate duplicates Z: 12 25.391 2.154 0.773 0.893 0.909 0.545 CB 1.583 12 residues pruned to eliminate duplicates Z: 12 20.707 2.132 0.760 0.838 0.909 0.364 CB 1.368 12 residues pruned to eliminate duplicates Z: 19 22.105 1.972 1.000 0.679 0.889 0.611 CB 1.261 19 residues pruned to eliminate duplicates Z: 12 32.467 2.295 0.846 0.937 1.000 0.727 CB 1.607 12 residues pruned to eliminate duplicates Z: 19 22.245 2.003 0.538 0.930 0.889 0.556 CB 1.339 19 residues pruned to eliminate duplicates Z: 10 8.425 1.827 0.087 0.778 0.889 0.556 CB 1.245 Z: 21 38.566 2.190 1.048 0.902 0.950 0.700 CA 1.444 20 residues pruned to eliminate duplicates Z: 15 11.938 1.689 0.525 0.841 0.929 0.786 CA 0.995 15 residues pruned to eliminate duplicates Z: 91 51.249 2.060 0.689 0.692 0.889 0.611 CB 1.466 91 residues pruned to eliminate duplicates Z: 14 22.071 1.999 0.338 0.927 1.000 0.846 CB 1.605 14 residues pruned to eliminate duplicates Z: 13 25.584 2.083 0.788 0.856 1.000 0.583 CA 1.462 13 residues pruned to eliminate duplicates Z: 18 23.762 1.996 0.658 0.855 0.941 0.529 CB 1.365 18 residues pruned to eliminate duplicates Z: 65 39.932 2.058 0.726 0.657 0.891 0.594 CB 1.363 65 residues pruned to eliminate duplicates Z: 12 22.349 2.087 0.796 0.847 0.909 0.636 CB 1.468 12 residues pruned to eliminate duplicates Z: 16 17.429 2.066 0.339 0.865 1.000 0.667 CB 1.192 16 residues pruned to eliminate duplicates Z: 20 17.132 1.929 0.374 0.908 0.895 0.579 CB 1.177 20 residues pruned to eliminate duplicates Z: 18 28.104 1.977 0.631 0.934 1.000 0.941 CA 1.474 18 residues pruned to eliminate duplicates Z: 71 39.488 2.138 0.574 0.563 0.914 0.657 CB 1.444 71 residues pruned to eliminate duplicates Z: 28 29.128 1.984 0.862 0.684 0.926 0.704 CB 1.384 28 residues pruned to eliminate duplicates Z: 16 16.177 1.931 0.123 0.877 1.000 0.867 CB 1.398 16 residues pruned to eliminate duplicates Z: 15 19.955 1.931 0.715 0.840 0.929 0.714 CB 1.295 15 residues pruned to eliminate duplicates Z: 12 10.880 2.018 0.363 0.838 0.727 0.455 CB 1.226 12 residues pruned to eliminate duplicates Z: 12 21.142 2.127 0.571 0.905 1.000 0.818 CB 1.358 12 residues pruned to eliminate duplicates Z: 12 25.176 2.282 0.466 0.909 1.000 0.818 CB 1.611 12 residues pruned to eliminate duplicates Z: 20 16.468 1.958 0.397 0.857 0.895 0.579 CB 1.138 20 residues pruned to eliminate duplicates Z: 53 25.530 2.059 0.463 0.419 0.885 0.500 CB 1.445 56 residues pruned to eliminate duplicates Z: 19 26.328 1.914 0.996 0.814 0.889 0.556 CA 1.391 19 residues pruned to eliminate duplicates Z: 12 21.310 2.270 0.238 0.914 1.000 0.909 CA 1.616 12 residues pruned to eliminate duplicates Z: 12 30.297 2.120 0.865 0.914 1.000 0.818 CB 1.635 12 residues pruned to eliminate duplicates Z: 13 21.450 2.033 0.375 0.844 1.000 0.417 CB 1.648 13 residues pruned to eliminate duplicates Z: 18 25.840 1.966 0.488 0.930 1.000 1.000 CA 1.499 18 residues pruned to eliminate duplicates Z: 21 24.992 2.102 0.564 0.730 0.950 0.750 CB 1.455 21 residues pruned to eliminate duplicates Z: 12 21.198 2.067 0.678 0.884 1.000 0.818 CB 1.332 12 residues pruned to eliminate duplicates Z: 19 25.993 1.900 0.819 0.830 0.944 0.667 CA 1.411 19 residues pruned to eliminate duplicates Z: 64 38.556 2.033 0.649 0.726 0.825 0.429 CB 1.431 64 residues pruned to eliminate duplicates Z: 17 24.233 1.924 0.572 0.913 1.000 0.688 CB 1.418 17 residues pruned to eliminate duplicates Z: 16 17.355 2.079 0.444 0.871 0.933 0.467 CB 1.166 16 residues pruned to eliminate duplicates Z: 97 48.338 2.100 0.616 0.641 0.917 0.615 CB 1.390 97 residues pruned to eliminate duplicates Z: 13 24.892 2.169 0.755 0.840 0.917 0.583 CA 1.536 13 residues pruned to eliminate duplicates Z: 12 23.730 2.161 0.720 0.827 0.909 0.909 CA 1.596 12 residues pruned to eliminate duplicates Z: 18 24.992 1.989 0.704 0.843 0.941 0.647 CB 1.415 18 residues pruned to eliminate duplicates Z: 7 9.093 1.909 0.250 0.790 0.833 0.667 CA 1.447 7 residues pruned to eliminate duplicates Z: 14 9.809 1.738 0.481 0.526 0.923 0.538 CB 1.116 Z: 14 15.252 2.081 0.364 0.522 0.923 0.769 CB 1.579 14 residues pruned to eliminate duplicates Z: 17 14.186 1.841 0.013 0.940 1.000 0.938 CB 1.321 17 residues pruned to eliminate duplicates Z: 13 16.080 1.977 0.598 0.838 0.917 0.667 CB 1.197 13 residues pruned to eliminate duplicates Z: 13 21.798 2.064 0.846 0.906 0.917 0.583 CB 1.282 13 residues pruned to eliminate duplicates Z: 17 18.273 2.072 0.426 0.887 0.938 0.750 CA 1.189 Z: 13 17.640 2.008 0.305 0.914 1.000 0.917 CB 1.375 13 residues pruned to eliminate duplicates Z: 14 12.136 1.913 0.305 0.520 0.923 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 15 14.548 1.938 0.021 0.900 1.000 0.857 CA 1.403 15 residues pruned to eliminate duplicates Z: 46 33.291 2.117 0.543 0.534 0.956 0.711 CB 1.538 46 residues pruned to eliminate duplicates Z: 13 13.465 1.965 0.104 0.881 0.917 0.667 CB 1.416 13 residues pruned to eliminate duplicates Z: 19 22.712 2.047 0.402 0.880 1.000 0.556 CB 1.352 19 residues pruned to eliminate duplicates Z: 19 25.935 1.939 0.902 0.862 0.889 0.667 CA 1.369 19 residues pruned to eliminate duplicates Z: 12 20.838 2.199 0.480 0.889 0.909 0.727 CA 1.528 12 residues pruned to eliminate duplicates Z: 13 20.520 2.039 0.478 0.873 1.000 0.917 CA 1.431 13 residues pruned to eliminate duplicates Z: 16 29.566 2.120 0.997 0.915 1.000 0.933 CA 1.274 17 residues pruned to eliminate duplicates Z: 6 8.899 2.066 -0.077 0.851 1.000 1.000 CA 1.544 6 residues pruned to eliminate duplicates Z: 13 20.525 2.058 0.748 0.881 0.917 0.750 CB 1.302 13 residues pruned to eliminate duplicates Z: 8 6.495 1.440 0.622 0.562 1.000 0.714 C 0.989 7 residues pruned to eliminate duplicates Z: 13 26.743 2.102 0.728 0.891 1.000 0.917 CA 1.529 13 residues pruned to eliminate duplicates Z: 18 26.608 1.955 0.868 0.876 0.941 0.706 CA 1.364 18 residues pruned to eliminate duplicates Z: 17 18.480 1.995 0.138 0.863 1.000 0.750 CA 1.493 17 residues pruned to eliminate duplicates Z: 15 15.185 1.850 0.365 0.798 1.000 0.643 CB 1.238 14 residues pruned to eliminate duplicates Z: 9 23.146 2.206 0.848 0.896 1.000 0.875 CA 1.438 9 residues pruned to eliminate duplicates Z: 15 17.841 1.909 0.412 0.929 0.929 0.643 CA 1.334 15 residues pruned to eliminate duplicates Z: 13 19.887 2.051 0.358 0.875 1.000 0.917 CB 1.500 13 residues pruned to eliminate duplicates Z: 65 48.818 2.097 0.712 0.773 0.938 0.562 CB 1.424 64 residues pruned to eliminate duplicates Z: 22 12.356 1.900 0.598 0.491 0.762 0.571 CB 1.176 22 residues pruned to eliminate duplicates Z: 13 23.926 2.101 0.652 0.844 1.000 0.333 CB 1.481 13 residues pruned to eliminate duplicates Z: 16 26.097 1.959 0.678 0.924 0.933 0.800 CB 1.542 16 residues pruned to eliminate duplicates Z: 21 18.267 1.896 0.239 0.892 0.950 0.950 CB 1.314 21 residues pruned to eliminate duplicates Z: 19 17.404 1.967 0.105 0.881 1.000 0.944 CA 1.366 19 residues pruned to eliminate duplicates Z: 14 20.132 1.972 0.462 0.906 1.000 1.000 CB 1.377 14 residues pruned to eliminate duplicates Z: 13 23.022 2.151 0.620 0.834 0.917 0.750 CA 1.559 13 residues pruned to eliminate duplicates Z: 20 21.686 1.953 0.750 0.870 0.895 0.263 CB 1.188 20 residues pruned to eliminate duplicates Z: 13 22.448 2.045 0.632 0.896 1.000 0.833 CA 1.391 13 residues pruned to eliminate duplicates Z: 63 40.796 2.146 0.540 0.596 0.968 0.661 CB 1.478 63 residues pruned to eliminate duplicates Z: 36 31.797 2.104 0.621 0.763 0.914 0.486 CB 1.364 36 residues pruned to eliminate duplicates Z: 14 12.309 1.672 0.484 0.881 0.846 0.538 CB 1.177 14 residues pruned to eliminate duplicates Z: 6 5.277 1.561 0.210 0.783 1.000 0.600 N 0.974 Z: 18 16.819 1.942 0.179 0.909 0.882 0.824 CB 1.434 18 residues pruned to eliminate duplicates Z: 20 35.490 2.241 0.746 0.917 1.000 0.789 CA 1.469 20 residues pruned to eliminate duplicates Z: 14 12.936 1.981 -0.046 0.730 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 16 10.613 1.868 0.182 0.371 1.000 0.533 CB 1.426 16 residues pruned to eliminate duplicates Z: 16 32.601 2.116 1.174 0.905 1.000 0.933 CA 1.303 16 residues pruned to eliminate duplicates Z: 9 10.482 2.052 0.669 0.341 1.000 0.500 CB 1.286 9 residues pruned to eliminate duplicates Z: 17 30.697 2.022 0.836 0.882 1.000 0.562 CB 1.496 17 residues pruned to eliminate duplicates Z: 18 22.577 2.030 0.658 0.878 0.941 0.882 CA 1.254 18 residues pruned to eliminate duplicates Z: 18 21.573 1.953 0.638 0.849 0.882 0.647 CA 1.374 18 residues pruned to eliminate duplicates Z: 68 39.821 1.980 0.595 0.669 0.940 0.507 CB 1.401 68 residues pruned to eliminate duplicates Z: 49 31.570 2.056 0.498 0.710 0.938 0.521 CB 1.304 49 residues pruned to eliminate duplicates Z: 24 17.501 2.036 0.514 0.359 0.913 0.696 CB 1.509 24 residues pruned to eliminate duplicates Z: 7 4.581 1.675 0.247 0.596 0.833 0.500 CA 0.980 7 residues pruned to eliminate duplicates Z: 8 10.419 1.770 0.454 0.886 1.000 0.714 CB 1.104 8 residues pruned to eliminate duplicates Z: 16 29.153 2.088 1.026 0.924 1.000 0.867 CA 1.249 16 residues pruned to eliminate duplicates Z: 19 23.338 2.069 0.560 0.869 0.889 0.500 CB 1.400 19 residues pruned to eliminate duplicates Z: 19 31.432 2.323 0.493 0.904 1.000 0.833 CA 1.521 19 residues pruned to eliminate duplicates Z: 18 20.235 2.005 0.676 0.890 0.941 0.765 CA 1.117 16 residues pruned to eliminate duplicates Z: 19 23.130 1.885 0.735 0.833 0.944 0.722 CA 1.324 19 residues pruned to eliminate duplicates Z: 18 27.620 1.928 0.706 0.908 1.000 0.529 CA 1.447 18 residues pruned to eliminate duplicates Z: 7 4.971 1.825 -0.276 0.879 1.000 0.833 CB 1.114 7 residues pruned to eliminate duplicates Z: 10 16.095 1.905 0.554 0.915 1.000 0.889 CA 1.281 10 residues pruned to eliminate duplicates Z: 94 45.361 2.136 0.691 0.560 0.892 0.677 CB 1.376 94 residues pruned to eliminate duplicates Z: 12 19.487 2.055 0.515 0.933 0.909 0.545 CB 1.449 12 residues pruned to eliminate duplicates Z: 12 21.398 2.003 0.930 0.880 0.909 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 15 21.050 1.944 0.820 0.909 0.929 0.857 CA 1.215 15 residues pruned to eliminate duplicates Z: 6 9.285 1.933 0.182 0.743 1.000 0.800 N 1.463 6 residues pruned to eliminate duplicates Z: 19 21.716 1.965 0.544 0.921 0.889 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 64 42.208 2.055 0.601 0.750 0.921 0.524 CB 1.405 64 residues pruned to eliminate duplicates Z: 21 31.182 2.121 0.646 0.906 1.000 0.750 CA 1.420 21 residues pruned to eliminate duplicates Z: 13 16.462 2.007 0.349 0.871 0.917 0.583 CB 1.397 13 residues pruned to eliminate duplicates Z: 12 13.184 1.765 0.347 0.841 0.909 0.636 CB 1.371 12 residues pruned to eliminate duplicates Z: 17 19.632 1.962 0.257 0.889 1.000 0.812 CA 1.433 17 residues pruned to eliminate duplicates Z: 12 25.207 2.144 0.758 0.914 1.000 0.727 CA 1.426 12 residues pruned to eliminate duplicates Z: 19 21.087 1.888 0.387 0.925 1.000 0.667 CA 1.332 19 residues pruned to eliminate duplicates Z: 13 14.910 1.963 0.193 0.880 1.000 0.917 CB 1.332 13 residues pruned to eliminate duplicates Z: 16 23.044 2.085 0.688 0.883 0.933 0.800 CA 1.310 16 residues pruned to eliminate duplicates Z: 14 19.820 2.047 0.392 0.847 1.000 0.769 CA 1.433 14 residues pruned to eliminate duplicates Z: 24 24.153 1.860 0.918 0.679 0.826 0.435 CA 1.450 24 residues pruned to eliminate duplicates Z: 14 11.642 1.791 -0.021 0.917 0.923 0.923 CA 1.407 14 residues pruned to eliminate duplicates Z: 17 12.436 1.951 0.237 0.582 0.875 0.625 CA 1.361 17 residues pruned to eliminate duplicates Z: 97 51.761 2.040 0.644 0.670 0.958 0.500 CB 1.405 97 residues pruned to eliminate duplicates Z: 15 16.470 1.890 0.369 0.939 0.929 0.857 CB 1.274 16 residues pruned to eliminate duplicates Z: 13 16.784 1.956 0.567 0.839 0.833 0.417 CB 1.417 13 residues pruned to eliminate duplicates Z: 18 23.778 2.166 0.448 0.873 0.941 0.706 CA 1.423 18 residues pruned to eliminate duplicates Z: 74 43.221 2.091 0.664 0.534 0.973 0.575 CB 1.446 79 residues pruned to eliminate duplicates Z: 20 22.845 2.087 0.429 0.861 0.947 0.789 CA 1.363 20 residues pruned to eliminate duplicates Z: 19 21.911 1.885 0.594 0.850 0.944 0.611 CA 1.348 19 residues pruned to eliminate duplicates Z: 7 8.726 2.118 0.228 0.505 0.833 0.333 CA 1.635 7 residues pruned to eliminate duplicates Z: 9 8.087 1.800 0.282 0.578 0.875 0.750 CB 1.313 9 residues pruned to eliminate duplicates Z: 41 22.160 1.981 0.530 0.370 0.875 0.525 CB 1.517 41 residues pruned to eliminate duplicates Z: 32 31.589 2.125 0.696 0.657 0.968 0.742 CA 1.406 32 residues pruned to eliminate duplicates Z: 23 23.342 1.918 0.465 0.804 0.955 0.818 CA 1.423 27 residues pruned to eliminate duplicates Z: 13 16.596 2.010 0.185 0.832 1.000 0.750 CB 1.510 13 residues pruned to eliminate duplicates Z: 15 20.724 2.058 0.637 0.881 1.000 0.857 CA 1.190 15 residues pruned to eliminate duplicates Z: 16 33.747 2.095 1.205 0.919 1.000 0.733 CA 1.329 16 residues pruned to eliminate duplicates Z: 21 33.632 2.165 0.962 0.829 0.950 0.350 CA 1.402 21 residues pruned to eliminate duplicates Z: 12 23.090 2.219 0.603 0.908 1.000 0.455 CB 1.391 12 residues pruned to eliminate duplicates Z: 12 13.075 1.907 0.392 0.826 0.818 0.545 CA 1.369 16 residues pruned to eliminate duplicates Z: 13 12.469 1.830 0.293 0.785 0.917 0.417 CA 1.291 13 residues pruned to eliminate duplicates Z: 17 21.209 1.819 0.808 0.865 0.875 0.562 CA 1.350 17 residues pruned to eliminate duplicates Z: 13 33.174 2.144 0.955 0.916 1.000 0.917 CB 1.614 13 residues pruned to eliminate duplicates Z: 46 31.100 2.059 0.569 0.747 0.911 0.556 CB 1.263 46 residues pruned to eliminate duplicates Z: 18 32.847 1.965 0.969 0.913 1.000 0.765 CA 1.457 18 residues pruned to eliminate duplicates Z: 19 32.881 2.321 0.713 0.907 0.889 0.778 CA 1.558 19 residues pruned to eliminate duplicates Z: 19 17.565 1.784 0.357 0.894 1.000 0.944 CA 1.227 19 residues pruned to eliminate duplicates Z: 55 26.771 2.050 0.471 0.443 0.907 0.481 CB 1.413 55 residues pruned to eliminate duplicates Z: 6 10.396 1.948 0.291 0.732 1.000 0.800 CA 1.501 6 residues pruned to eliminate duplicates Z: 11 15.714 2.109 0.560 0.782 0.800 0.700 CB 1.473 11 residues pruned to eliminate duplicates Z: 10 10.144 2.049 0.065 0.889 1.000 0.778 CB 1.115 10 residues pruned to eliminate duplicates Z: 16 17.868 1.947 0.111 0.905 1.000 0.733 CB 1.517 16 residues pruned to eliminate duplicates Z: 13 34.415 2.119 0.981 0.913 1.000 1.000 CA 1.675 13 residues pruned to eliminate duplicates Z: 14 15.651 1.938 0.240 0.864 1.000 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 10 15.742 1.725 0.850 0.902 1.000 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 12 15.612 2.082 0.213 0.880 1.000 0.909 CB 1.350 12 residues pruned to eliminate duplicates Z: 48 29.012 2.037 0.460 0.476 0.936 0.553 CA 1.557 48 residues pruned to eliminate duplicates Z: 12 14.124 1.969 0.386 0.829 0.818 0.636 CA 1.435 12 residues pruned to eliminate duplicates Z: 6 7.652 1.869 0.525 0.764 1.000 0.600 CA 0.950 6 residues pruned to eliminate duplicates Z: 32 24.241 2.006 0.548 0.548 0.935 0.581 CB 1.430 32 residues pruned to eliminate duplicates Z: 39 28.973 2.084 0.493 0.758 0.921 0.553 CB 1.303 39 residues pruned to eliminate duplicates Z: 11 18.134 2.092 0.424 0.919 0.900 0.700 CB 1.507 11 residues pruned to eliminate duplicates Z: 12 19.776 2.053 0.730 0.818 0.909 0.818 CA 1.401 12 residues pruned to eliminate duplicates Z: 21 26.419 2.172 0.398 0.905 1.000 0.750 CA 1.385 21 residues pruned to eliminate duplicates Z: 13 15.430 2.035 0.468 0.866 1.000 0.750 CB 1.092 13 residues pruned to eliminate duplicates Z: 17 17.928 1.891 0.286 0.916 0.938 0.812 CB 1.389 17 residues pruned to eliminate duplicates Z: 14 15.810 2.051 0.128 0.835 1.000 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 12 23.562 2.186 0.460 0.908 1.000 0.818 CA 1.582 12 residues pruned to eliminate duplicates Z: 21 17.572 1.849 0.380 0.823 0.900 0.750 CB 1.293 21 residues pruned to eliminate duplicates Z: 15 10.879 2.122 0.221 0.392 0.857 0.500 CB 1.468 15 residues pruned to eliminate duplicates Z: 15 19.110 1.917 0.464 0.829 1.000 0.714 CA 1.369 15 residues pruned to eliminate duplicates Z: 17 30.423 1.963 0.853 0.907 1.000 0.812 CB 1.487 17 residues pruned to eliminate duplicates Z: 14 17.193 1.767 0.506 0.835 1.000 0.846 CB 1.342 14 residues pruned to eliminate duplicates Z: 17 31.806 2.056 0.774 0.923 1.000 0.625 CA 1.532 18 residues pruned to eliminate duplicates Z: 12 19.861 2.131 0.485 0.878 1.000 0.909 CB 1.373 12 residues pruned to eliminate duplicates Z: 12 20.247 2.046 0.513 0.920 1.000 0.636 CB 1.389 12 residues pruned to eliminate duplicates Z: 13 14.499 1.892 0.797 0.543 0.833 0.667 CA 1.417 13 residues pruned to eliminate duplicates Z: 18 27.732 1.867 0.811 0.911 1.000 0.412 CB 1.410 17 residues pruned to eliminate duplicates Z: 19 21.140 2.060 0.435 0.843 0.944 0.944 CA 1.330 19 residues pruned to eliminate duplicates Z: 9 7.380 1.640 0.276 0.430 1.000 0.875 N 1.341 Z: 11 6.067 1.761 0.699 0.242 0.900 0.600 CB 0.961 11 residues pruned to eliminate duplicates Z: 6 4.505 1.791 0.253 0.604 1.000 1.000 CB 0.814 6 residues pruned to eliminate duplicates Z: 16 22.576 1.947 0.550 0.912 1.000 0.467 CB 1.368 16 residues pruned to eliminate duplicates Z: 77 48.696 2.032 0.787 0.712 0.908 0.487 CB 1.398 77 residues pruned to eliminate duplicates Z: 16 23.809 1.981 0.495 0.940 1.000 0.733 CB 1.441 16 residues pruned to eliminate duplicates Z: 15 10.497 2.102 0.191 0.364 0.857 0.571 CB 1.513 15 residues pruned to eliminate duplicates Z: 33 22.398 1.931 0.699 0.585 0.906 0.594 CB 1.228 33 residues pruned to eliminate duplicates Z: 18 18.856 1.797 0.456 0.873 1.000 0.882 CA 1.273 18 residues pruned to eliminate duplicates Z: 30 38.640 2.248 0.854 0.582 1.000 0.552 CB 1.591 30 residues pruned to eliminate duplicates Z: 7 5.152 1.730 0.383 0.539 0.833 0.500 CA 1.015 7 residues pruned to eliminate duplicates Z: 18 18.072 1.825 0.289 0.900 1.000 0.588 CA 1.331 18 residues pruned to eliminate duplicates Z: 13 21.859 2.128 0.369 0.906 1.000 0.750 CB 1.540 13 residues pruned to eliminate duplicates Z: 20 27.741 1.832 0.963 0.833 0.947 0.474 CB 1.402 20 residues pruned to eliminate duplicates Z: 14 21.299 2.052 0.518 0.829 1.000 0.615 CB 1.427 14 residues pruned to eliminate duplicates Z: 20 29.013 2.229 0.466 0.900 1.000 0.842 CA 1.454 20 residues pruned to eliminate duplicates Z: 14 14.375 2.046 0.509 0.892 0.846 0.385 CB 1.096 14 residues pruned to eliminate duplicates Z: 23 16.173 1.868 0.405 0.831 0.864 0.364 CB 1.144 23 residues pruned to eliminate duplicates Z: 8 9.106 1.855 0.063 0.845 1.000 0.714 CA 1.298 8 residues pruned to eliminate duplicates Z: 17 21.043 1.973 0.402 0.920 0.938 0.875 CB 1.430 17 residues pruned to eliminate duplicates Z: 18 28.984 2.024 0.974 0.906 1.000 0.706 CA 1.251 18 residues pruned to eliminate duplicates Z: 20 37.011 2.244 0.887 0.886 1.000 0.684 CA 1.447 20 residues pruned to eliminate duplicates Z: 44 28.103 2.068 0.610 0.534 0.907 0.651 CB 1.372 39 residues pruned to eliminate duplicates Z: 82 39.601 1.921 0.645 0.676 0.889 0.457 CB 1.331 68 residues pruned to eliminate duplicates Z: 6 4.071 1.687 0.123 0.631 0.800 0.800 CB 1.062 6 residues pruned to eliminate duplicates Z: 18 13.004 1.878 0.076 0.807 0.941 0.824 CB 1.268 18 residues pruned to eliminate duplicates Z: 20 16.145 1.816 0.210 0.878 0.947 0.895 CB 1.292 20 residues pruned to eliminate duplicates Z: 11 14.169 2.040 0.207 0.878 0.900 0.800 CB 1.467 11 residues pruned to eliminate duplicates Z: 13 18.542 1.995 0.236 0.927 1.000 0.917 CB 1.522 13 residues pruned to eliminate duplicates Z: 11 13.744 1.966 0.505 0.863 1.000 0.300 CB 1.078 11 residues pruned to eliminate duplicates Z: 26 31.760 2.092 0.810 0.752 0.960 0.800 CA 1.396 22 residues pruned to eliminate duplicates Z: 27 28.463 2.210 0.604 0.557 0.923 0.731 CB 1.613 27 residues pruned to eliminate duplicates Z: 13 17.403 1.951 0.376 0.879 1.000 0.750 CB 1.357 13 residues pruned to eliminate duplicates Z: 20 34.437 2.268 0.807 0.914 0.947 0.684 CA 1.438 20 residues pruned to eliminate duplicates Z: 13 17.236 1.767 0.478 0.913 1.000 0.667 CB 1.348 13 residues pruned to eliminate duplicates Z: 17 26.466 1.980 0.571 0.912 1.000 0.438 CB 1.507 17 residues pruned to eliminate duplicates Z: 6 8.940 1.948 0.660 0.789 0.800 0.800 CA 1.198 6 residues pruned to eliminate duplicates Z: 14 14.538 1.939 0.587 0.825 0.923 0.462 CB 1.071 14 residues pruned to eliminate duplicates Z: 12 6.292 1.932 0.524 0.432 0.909 0.364 CB 0.760 12 residues pruned to eliminate duplicates Z: 30 27.940 2.061 0.787 0.611 0.931 0.724 CB 1.361 30 residues pruned to eliminate duplicates Z: 16 17.182 1.809 0.660 0.904 0.867 0.267 CB 1.215 16 residues pruned to eliminate duplicates Z: 13 21.120 2.139 0.635 0.865 0.917 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 90 44.285 2.046 0.717 0.713 0.854 0.483 CB 1.290 90 residues pruned to eliminate duplicates Z: 13 26.568 2.135 0.788 0.842 1.000 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 16 19.382 1.966 0.237 0.942 1.000 0.867 CB 1.426 16 residues pruned to eliminate duplicates Z: 18 22.200 1.812 0.653 0.909 1.000 0.412 CB 1.276 18 residues pruned to eliminate duplicates Z: 106 52.657 2.088 0.573 0.635 0.962 0.638 CB 1.433 106 residues pruned to eliminate duplicates Z: 7 8.831 1.989 0.280 0.879 1.000 0.667 CB 1.027 7 residues pruned to eliminate duplicates Z: 17 24.375 1.946 0.550 0.843 1.000 0.750 CB 1.504 17 residues pruned to eliminate duplicates Z: 21 20.188 1.805 0.443 0.897 0.950 0.600 CB 1.306 22 residues pruned to eliminate duplicates Z: 8 2.482 1.476 0.330 0.210 0.571 0.286 O 1.178 8 residues pruned to eliminate duplicates Z: 16 16.776 1.924 0.136 0.895 1.000 0.800 CA 1.421 16 residues pruned to eliminate duplicates Z: 9 8.933 1.701 0.363 0.856 1.000 0.750 CB 1.004 9 residues pruned to eliminate duplicates Z: 41 28.946 2.054 0.675 0.430 0.925 0.625 CB 1.546 41 residues pruned to eliminate duplicates Z: 30 25.926 2.010 0.558 0.610 0.966 0.690 CA 1.434 30 residues pruned to eliminate duplicates Z: 6 4.591 1.589 0.015 0.663 1.000 0.400 CB 1.096 Z: 18 23.694 1.787 0.759 0.913 1.000 0.529 CB 1.294 18 residues pruned to eliminate duplicates Z: 17 25.011 2.092 0.784 0.710 0.938 0.750 CB 1.477 17 residues pruned to eliminate duplicates Z: 18 20.120 2.089 0.474 0.800 1.000 0.824 CA 1.219 18 residues pruned to eliminate duplicates Z: 103 57.483 2.125 0.725 0.636 0.931 0.598 CB 1.468 103 residues pruned to eliminate duplicates Z: 7 6.245 1.876 0.299 0.385 0.833 0.833 CA 1.418 7 residues pruned to eliminate duplicates Z: 12 20.788 1.967 0.774 0.866 0.909 0.727 CB 1.447 12 residues pruned to eliminate duplicates Z: 13 13.853 2.058 0.456 0.911 0.917 0.417 CB 1.032 13 residues pruned to eliminate duplicates Z: 6 3.142 1.623 0.065 0.510 0.800 0.800 CA 1.006 6 residues pruned to eliminate duplicates Z: 48 25.875 1.990 0.434 0.552 0.915 0.489 CB 1.375 48 residues pruned to eliminate duplicates Z: 17 25.432 2.022 0.430 0.895 1.000 0.875 CA 1.576 17 residues pruned to eliminate duplicates Z: 13 20.170 2.077 0.627 0.868 0.917 0.583 CB 1.374 13 residues pruned to eliminate duplicates Z: 14 16.670 1.967 0.479 0.608 0.923 0.692 CB 1.554 14 residues pruned to eliminate duplicates Z: 13 24.335 2.140 0.926 0.863 0.917 0.500 CB 1.364 13 residues pruned to eliminate duplicates Z: 16 15.526 1.874 0.304 0.881 0.933 0.733 CB 1.273 16 residues pruned to eliminate duplicates Z: 26 31.935 2.190 0.656 0.754 0.960 0.880 CA 1.463 24 residues pruned to eliminate duplicates Z: 14 12.304 1.963 0.784 0.287 0.846 0.538 CB 1.463 10 residues pruned to eliminate duplicates Z: 9 10.892 1.797 0.716 0.714 0.875 0.625 CB 1.176 9 residues pruned to eliminate duplicates Z: 77 53.784 2.152 0.786 0.658 0.921 0.605 CB 1.505 100 residues pruned to eliminate duplicates Z: 19 20.023 1.966 0.334 0.862 1.000 0.722 CA 1.321 19 residues pruned to eliminate duplicates Z: 9 14.308 1.655 1.055 0.884 0.875 0.375 CA 1.229 9 residues pruned to eliminate duplicates Z: 34 21.030 2.035 0.519 0.599 0.818 0.636 CB 1.316 34 residues pruned to eliminate duplicates Z: 27 23.629 2.053 0.825 0.606 0.846 0.654 CB 1.322 27 residues pruned to eliminate duplicates Z: 14 15.350 1.962 0.102 0.775 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 133 63.874 2.106 0.791 0.641 0.924 0.485 CB 1.398 133 residues pruned to eliminate duplicates Z: 27 20.383 1.937 0.474 0.698 0.885 0.692 CB 1.322 27 residues pruned to eliminate duplicates Z: 13 12.963 1.994 0.189 0.869 0.833 0.583 CB 1.385 13 residues pruned to eliminate duplicates Z: 17 18.822 1.997 0.124 0.921 1.000 0.938 CA 1.476 17 residues pruned to eliminate duplicates Z: 29 25.691 2.119 0.467 0.725 0.929 0.571 CB 1.373 29 residues pruned to eliminate duplicates Z: 20 20.956 1.923 0.657 0.849 0.895 0.579 CB 1.251 19 residues pruned to eliminate duplicates Z: 26 23.496 2.016 0.406 0.720 0.960 0.720 CB 1.416 26 residues pruned to eliminate duplicates Z: 32 26.702 1.935 0.733 0.659 0.903 0.645 CB 1.366 32 residues pruned to eliminate duplicates Z: 8 7.017 1.798 0.408 0.399 0.857 0.714 CA 1.359 8 residues pruned to eliminate duplicates Z: 13 5.277 1.414 0.248 0.415 0.833 0.417 C 1.131 10 residues pruned to eliminate duplicates Z: 16 25.648 2.063 0.939 0.877 0.933 0.400 CB 1.288 16 residues pruned to eliminate duplicates Z: 19 16.402 1.815 0.291 0.912 0.944 0.778 CA 1.238 19 residues pruned to eliminate duplicates Z: 21 18.829 1.888 0.521 0.876 0.850 0.550 CB 1.254 21 residues pruned to eliminate duplicates Z: 6 3.801 1.565 0.366 0.416 0.800 0.600 CA 1.085 Z: 9 7.965 1.729 0.363 0.779 0.875 0.750 CB 1.067 9 residues pruned to eliminate duplicates Z: 60 34.993 2.010 0.596 0.538 0.949 0.610 CB 1.442 60 residues pruned to eliminate duplicates Z: 22 39.228 2.124 1.116 0.924 1.000 0.667 CA 1.337 22 residues pruned to eliminate duplicates Z: 17 20.232 1.819 0.735 0.858 0.875 0.750 CA 1.349 17 residues pruned to eliminate duplicates Z: 66 42.238 2.183 0.568 0.549 0.954 0.615 CB 1.529 66 residues pruned to eliminate duplicates 6 1.761 1.355 0.056 0.297 0.800 0.400 N 0.863 ? Z: 17 18.153 1.907 0.236 0.911 1.000 0.875 CB 1.364 17 residues pruned to eliminate duplicates Z: 14 18.864 1.974 0.690 0.606 1.000 0.692 CA 1.417 14 residues pruned to eliminate duplicates Z: 54 40.927 2.077 0.527 0.719 0.962 0.792 CB 1.511 54 residues pruned to eliminate duplicates Z: 28 25.400 1.932 0.608 0.694 0.889 0.630 CB 1.482 28 residues pruned to eliminate duplicates Z: 19 28.927 1.902 1.074 0.869 0.944 0.611 CA 1.337 19 residues pruned to eliminate duplicates Z: 19 19.293 1.831 0.549 0.868 0.944 0.833 CB 1.241 19 residues pruned to eliminate duplicates Z: 6 5.563 1.730 0.359 0.739 0.800 0.600 CA 1.067 6 residues pruned to eliminate duplicates Z: 6 7.725 1.993 -0.017 0.785 1.000 0.800 CA 1.373 Z: 42 34.964 1.959 0.767 0.725 0.902 0.390 CB 1.427 42 residues pruned to eliminate duplicates Z: 13 13.180 1.921 0.345 0.880 0.917 0.750 CB 1.165 13 residues pruned to eliminate duplicates Z: 54 36.650 2.093 0.827 0.602 0.868 0.698 CB 1.376 54 residues pruned to eliminate duplicates Z: 19 22.713 1.955 0.786 0.928 0.833 0.278 CB 1.289 19 residues pruned to eliminate duplicates Z: 40 30.995 2.184 0.590 0.557 0.949 0.667 CB 1.425 46 residues pruned to eliminate duplicates Z: 37 27.218 1.946 0.796 0.509 0.972 0.472 CB 1.323 37 residues pruned to eliminate duplicates Z: 34 32.218 1.993 0.793 0.735 0.879 0.485 CA 1.446 34 residues pruned to eliminate duplicates Z: 28 25.927 2.024 0.552 0.761 0.963 0.556 CB 1.309 28 residues pruned to eliminate duplicates Z: 44 22.834 2.054 0.396 0.568 0.907 0.698 CB 1.254 44 residues pruned to eliminate duplicates Z: 17 19.616 1.921 0.529 0.892 0.875 0.438 CB 1.370 17 residues pruned to eliminate duplicates Z: 14 10.163 1.883 -0.045 0.826 1.000 0.923 CB 1.182 14 residues pruned to eliminate duplicates Z: 80 43.181 2.140 0.637 0.553 0.924 0.684 CB 1.426 80 residues pruned to eliminate duplicates Z: 6 2.060 1.753 0.652 0.298 0.600 0.400 CB 0.665 Z: 18 23.096 1.856 0.601 0.897 1.000 0.529 CB 1.350 18 residues pruned to eliminate duplicates Z: 12 26.751 2.252 0.730 0.901 0.909 0.818 CA 1.625 12 residues pruned to eliminate duplicates Z: 10 9.604 1.631 0.441 0.818 0.889 0.556 CA 1.162 12 residues pruned to eliminate duplicates Z: 23 18.743 2.005 0.404 0.572 0.955 0.455 CB 1.387 23 residues pruned to eliminate duplicates Z: 6 4.098 1.449 0.943 0.412 0.800 0.400 CB 0.892 Z: 12 8.909 1.826 0.310 0.382 1.000 0.636 CB 1.273 12 residues pruned to eliminate duplicates Z: 21 12.829 2.087 0.333 0.361 0.900 0.600 CA 1.331 21 residues pruned to eliminate duplicates 6 1.057 1.055 0.211 0.523 0.800 0.600 N 0.452 ? Z: 33 24.694 1.955 0.752 0.620 0.906 0.500 CB 1.256 33 residues pruned to eliminate duplicates Z: 6 6.271 1.885 -0.045 0.829 1.000 1.000 CB 1.172 Z: 51 36.260 1.978 0.659 0.734 0.880 0.540 CB 1.439 51 residues pruned to eliminate duplicates Z: 64 47.744 2.123 0.658 0.768 0.937 0.540 CB 1.439 64 residues pruned to eliminate duplicates Z: 12 14.313 1.784 0.404 0.833 0.909 0.636 CB 1.422 12 residues pruned to eliminate duplicates Z: 19 20.673 1.937 0.833 0.550 0.889 0.444 CA 1.470 19 residues pruned to eliminate duplicates Z: 6 3.289 1.332 0.137 0.597 0.800 0.800 O 1.106 Z: 26 32.438 2.133 0.762 0.744 1.000 0.880 CA 1.387 26 residues pruned to eliminate duplicates Z: 6 4.291 1.639 -0.050 0.614 1.000 0.600 N 1.106 Z: 13 15.730 2.005 0.339 0.906 0.917 0.583 CB 1.313 13 residues pruned to eliminate duplicates Z: 13 25.442 2.049 0.784 0.887 1.000 0.750 CB 1.449 13 residues pruned to eliminate duplicates Z: 10 9.874 1.758 0.226 0.874 1.000 0.667 CB 1.112 9 residues pruned to eliminate duplicates Z: 18 31.827 1.934 0.927 0.927 1.000 0.647 CA 1.451 18 residues pruned to eliminate duplicates Z: 12 10.224 1.672 0.280 0.893 0.909 0.455 CB 1.137 12 residues pruned to eliminate duplicates Z: 6 4.689 1.611 0.046 0.704 0.800 0.400 O 1.292 Z: 61 41.109 2.046 0.655 0.745 0.883 0.533 CB 1.426 61 residues pruned to eliminate duplicates Z: 6 4.580 1.634 0.155 0.600 0.800 0.800 CA 1.233 6 residues pruned to eliminate duplicates Z: 6 6.116 1.687 1.055 0.683 0.800 0.800 CB 0.833 Z: 31 25.025 1.991 0.482 0.514 1.000 0.533 CB 1.528 31 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.817 1.367 0.916 0.343 0.600 0.400 CB 0.951 6 residues pruned to eliminate duplicates Z: 34 24.595 2.070 0.520 0.622 0.909 0.667 CB 1.335 34 residues pruned to eliminate duplicates 7 1.779 1.517 0.269 0.261 0.667 0.333 CA 0.744 ? Z: 6 4.834 1.813 0.242 0.425 0.800 0.600 CA 1.298 6 residues pruned to eliminate duplicates Z: 24 27.009 2.080 0.558 0.724 0.957 0.652 CB 1.485 24 residues pruned to eliminate duplicates Z: 34 28.822 2.075 0.740 0.605 0.909 0.515 CB 1.383 34 residues pruned to eliminate duplicates Z: 21 16.776 1.850 0.152 0.837 0.950 0.750 CA 1.386 21 residues pruned to eliminate duplicates Z: 33 24.564 2.046 0.614 0.619 0.906 0.500 CB 1.296 34 residues pruned to eliminate duplicates Z: 22 18.407 1.823 0.284 0.853 0.952 0.714 CB 1.333 22 residues pruned to eliminate duplicates Z: 19 20.533 2.069 0.468 0.778 0.944 0.556 CB 1.321 19 residues pruned to eliminate duplicates Z: 36 21.126 1.938 0.646 0.598 0.829 0.514 CB 1.230 36 residues pruned to eliminate duplicates Z: 20 18.656 1.946 0.395 0.844 0.947 0.526 CB 1.238 20 residues pruned to eliminate duplicates Z: 35 23.845 1.993 0.722 0.600 0.824 0.471 CB 1.316 33 residues pruned to eliminate duplicates Z: 21 16.000 1.877 0.350 0.837 0.850 0.600 CB 1.243 22 residues pruned to eliminate duplicates Z: 20 23.643 1.883 0.669 0.907 0.947 0.526 CB 1.294 21 residues pruned to eliminate duplicates Z: 15 16.005 1.799 0.737 0.858 0.929 0.714 CB 1.085 14 residues pruned to eliminate duplicates Z: 19 20.225 1.953 0.411 0.907 0.944 0.611 CB 1.301 19 residues pruned to eliminate duplicates Z: 27 27.591 2.021 0.708 0.680 0.923 0.462 CB 1.440 27 residues pruned to eliminate duplicates Z: 25 24.739 1.949 0.750 0.714 0.917 0.417 CB 1.331 25 residues pruned to eliminate duplicates Z: 21 20.983 1.887 0.747 0.811 0.900 0.300 CB 1.206 21 residues pruned to eliminate duplicates Z: 18 21.033 1.979 0.592 0.878 0.941 0.353 CB 1.248 18 residues pruned to eliminate duplicates Z: 21 26.651 1.905 0.984 0.852 0.950 0.400 CB 1.228 21 residues pruned to eliminate duplicates Z: 36 23.329 1.907 0.871 0.633 0.800 0.286 CB 1.219 35 residues pruned to eliminate duplicates Z: 14 20.135 1.810 1.186 0.845 1.000 0.385 CB 1.049 14 residues pruned to eliminate duplicates Z: 19 25.497 1.911 0.880 0.887 1.000 0.222 CB 1.206 19 residues pruned to eliminate duplicates Z: 12 8.520 1.829 0.446 0.324 0.818 0.364 CA 1.442 12 residues pruned to eliminate duplicates Z: 12 9.085 1.918 0.720 0.227 0.909 0.364 CA 1.257 12 residues pruned to eliminate duplicates Z: 9 6.582 2.164 0.248 0.194 0.875 0.375 CB 1.419 9 residues pruned to eliminate duplicates Z: 14 8.079 1.766 0.283 0.359 0.923 0.462 CB 1.247 14 residues pruned to eliminate duplicates Z: 11 7.021 1.896 0.364 0.217 0.900 0.500 CB 1.331 11 residues pruned to eliminate duplicates Z: 13 7.768 1.955 0.554 0.092 0.917 0.417 CA 1.360 13 residues pruned to eliminate duplicates Z: 12 6.444 1.864 0.185 0.259 0.909 0.273 CB 1.276 12 residues pruned to eliminate duplicates Z: 32 25.863 1.980 0.584 0.558 0.968 0.484 CB 1.447 32 residues pruned to eliminate duplicates Z: 6 7.234 2.014 0.349 0.382 1.000 0.400 CA 1.350 6 residues pruned to eliminate duplicates Z: 26 21.307 1.866 0.635 0.591 0.960 0.480 CA 1.334 26 residues pruned to eliminate duplicates Z: 22 25.803 1.949 0.529 0.792 1.000 0.667 CA 1.463 22 residues pruned to eliminate duplicates Z: 35 20.709 1.845 0.482 0.516 0.912 0.471 CB 1.403 35 residues pruned to eliminate duplicates Z: 36 19.737 1.900 0.442 0.520 0.914 0.400 CB 1.306 36 residues pruned to eliminate duplicates Z: 35 24.354 1.937 0.450 0.510 0.971 0.382 CB 1.517 37 residues pruned to eliminate duplicates Z: 19 20.432 1.762 0.447 0.903 1.000 0.667 CB 1.346 19 residues pruned to eliminate duplicates Z: 27 22.874 1.946 0.527 0.570 0.962 0.462 CA 1.467 27 residues pruned to eliminate duplicates Z: 22 19.794 1.961 0.565 0.578 0.905 0.429 CB 1.444 22 residues pruned to eliminate duplicates Z: 25 24.904 1.836 0.617 0.718 1.000 0.583 CB 1.406 25 residues pruned to eliminate duplicates Z: 20 23.842 1.979 0.678 0.779 0.895 0.526 CA 1.439 20 residues pruned to eliminate duplicates Z: 24 24.023 1.916 0.652 0.706 0.913 0.478 CB 1.438 24 residues pruned to eliminate duplicates Z: 23 28.510 1.936 0.766 0.712 1.000 0.409 CB 1.468 23 residues pruned to eliminate duplicates Z: 45 19.563 1.855 0.574 0.457 0.818 0.409 CB 1.291 82 residues pruned to eliminate duplicates Z: 29 23.765 1.895 0.747 0.606 0.857 0.429 CB 1.432 Z: 18 22.085 1.718 0.886 0.885 1.000 0.353 CB 1.194 18 residues pruned to eliminate duplicates Z: 29 21.075 1.896 0.879 0.584 0.821 0.357 CB 1.255 29 residues pruned to eliminate duplicates Z: 36 25.029 1.908 0.808 0.489 0.886 0.429 CB 1.400 29 residues pruned to eliminate duplicates Z: 18 22.318 1.882 0.694 0.896 0.882 0.529 CB 1.378 18 residues pruned to eliminate duplicates Z: 32 25.980 1.970 0.765 0.576 0.903 0.516 CB 1.380 32 residues pruned to eliminate duplicates Z: 10 12.273 1.714 1.062 0.906 0.778 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 36 21.366 1.824 0.605 0.536 0.886 0.371 CB 1.345 36 residues pruned to eliminate duplicates Z: 34 30.513 1.965 0.633 0.731 0.970 0.576 CA 1.387 34 residues pruned to eliminate duplicates Z: 19 24.711 1.943 0.830 0.768 0.944 0.611 CA 1.369 19 residues pruned to eliminate duplicates Z: 87 47.988 2.095 0.723 0.603 0.895 0.605 CB 1.452 87 residues pruned to eliminate duplicates Z: 20 22.029 1.890 0.867 0.774 0.842 0.684 CA 1.335 20 residues pruned to eliminate duplicates Z: 20 26.084 1.899 1.009 0.822 0.947 0.474 CA 1.252 18 residues pruned to eliminate duplicates Z: 18 30.505 1.988 1.082 0.890 0.941 0.529 CA 1.366 20 residues pruned to eliminate duplicates Z: 16 31.522 2.055 1.069 0.920 0.933 0.600 CA 1.445 16 residues pruned to eliminate duplicates Z: 20 24.185 1.932 0.892 0.771 0.842 0.579 CA 1.419 20 residues pruned to eliminate duplicates Z: 19 27.892 1.971 1.008 0.855 0.944 0.556 CA 1.298 18 residues pruned to eliminate duplicates Z: 17 31.177 2.042 1.101 0.913 0.875 0.500 CA 1.470 17 residues pruned to eliminate duplicates Z: 34 32.810 2.008 0.627 0.759 0.970 0.576 CA 1.433 33 residues pruned to eliminate duplicates Z: 18 28.034 1.995 1.034 0.837 0.882 0.412 CA 1.421 18 residues pruned to eliminate duplicates Z: 33 32.739 2.057 0.610 0.751 0.969 0.531 CA 1.442 33 residues pruned to eliminate duplicates Z: 18 26.819 2.032 0.971 0.856 0.882 0.706 CA 1.358 18 residues pruned to eliminate duplicates Z: 32 33.560 2.079 0.619 0.759 0.968 0.452 CA 1.470 32 residues pruned to eliminate duplicates Z: 33 32.387 1.992 0.671 0.761 0.969 0.562 CA 1.408 33 residues pruned to eliminate duplicates Z: 32 33.850 2.061 0.662 0.774 0.968 0.742 CA 1.439 34 residues pruned to eliminate duplicates Z: 18 20.791 1.897 0.643 0.715 0.941 0.765 CA 1.414 18 residues pruned to eliminate duplicates Z: 32 35.392 2.078 0.636 0.766 0.968 0.516 CA 1.526 32 residues pruned to eliminate duplicates Z: 30 23.384 1.993 0.522 0.629 0.862 0.448 CB 1.472 30 residues pruned to eliminate duplicates Z: 33 33.682 2.037 0.548 0.739 1.000 0.562 CA 1.524 33 residues pruned to eliminate duplicates Z: 32 35.836 2.077 0.707 0.737 0.968 0.452 CA 1.517 32 residues pruned to eliminate duplicates Z: 33 35.688 2.070 0.715 0.737 0.938 0.469 CA 1.531 33 residues pruned to eliminate duplicates Z: 33 32.980 2.023 0.766 0.742 0.906 0.469 CA 1.450 33 residues pruned to eliminate duplicates Z: 16 12.114 2.010 0.368 0.589 0.800 0.400 CB 1.306 16 residues pruned to eliminate duplicates Z: 9 14.811 2.141 0.751 0.665 0.875 0.375 CB 1.371 9 residues pruned to eliminate duplicates Z: 35 30.405 1.985 0.785 0.696 0.882 0.353 CB 1.395 35 residues pruned to eliminate duplicates Z: 33 32.255 2.049 0.800 0.712 0.844 0.344 CB 1.512 33 residues pruned to eliminate duplicates Z: 9 11.457 2.144 0.482 0.790 0.875 0.500 CB 1.129 9 residues pruned to eliminate duplicates Z: 57 36.886 2.026 0.652 0.717 0.911 0.429 CB 1.329 57 residues pruned to eliminate duplicates Z: 44 33.822 2.071 0.624 0.710 0.907 0.465 CB 1.398 44 residues pruned to eliminate duplicates Z: 68 38.453 2.000 0.654 0.681 0.896 0.373 CB 1.342 68 residues pruned to eliminate duplicates Z: 33 22.801 2.060 0.430 0.703 0.875 0.500 CB 1.300 33 residues pruned to eliminate duplicates Z: 59 46.734 2.092 0.697 0.775 0.948 0.586 CB 1.431 59 residues pruned to eliminate duplicates Z: 41 33.247 2.134 0.520 0.757 0.925 0.500 CB 1.394 41 residues pruned to eliminate duplicates Z: 40 36.324 2.161 0.603 0.775 0.949 0.718 CB 1.388 40 residues pruned to eliminate duplicates Z: 51 27.780 1.990 0.517 0.688 0.860 0.460 CB 1.273 51 residues pruned to eliminate duplicates Z: 61 45.252 2.053 0.722 0.756 0.933 0.433 CB 1.410 61 residues pruned to eliminate duplicates Z: 46 36.493 2.073 0.675 0.757 0.867 0.422 CB 1.437 46 residues pruned to eliminate duplicates Z: 68 45.067 2.073 0.684 0.715 0.910 0.507 CB 1.426 68 residues pruned to eliminate duplicates Z: 60 46.343 2.068 0.737 0.773 0.932 0.458 CB 1.416 60 residues pruned to eliminate duplicates Z: 60 43.547 2.060 0.707 0.751 0.915 0.492 CB 1.408 60 residues pruned to eliminate duplicates Z: 63 43.212 2.044 0.787 0.760 0.871 0.532 CB 1.369 63 residues pruned to eliminate duplicates Z: 105 51.797 2.092 0.585 0.637 0.933 0.606 CB 1.445 105 residues pruned to eliminate duplicates Z: 64 41.228 2.025 0.662 0.725 0.921 0.460 CB 1.368 64 residues pruned to eliminate duplicates Z: 48 41.055 2.132 0.698 0.728 0.957 0.596 CB 1.407 48 residues pruned to eliminate duplicates Z: 45 31.419 2.031 0.557 0.718 0.932 0.545 CB 1.319 45 residues pruned to eliminate duplicates Z: 20 20.892 2.120 0.634 0.606 0.842 0.632 CB 1.486 20 residues pruned to eliminate duplicates Z: 58 44.449 2.051 0.676 0.754 0.982 0.333 CB 1.390 58 residues pruned to eliminate duplicates Z: 33 31.752 2.127 0.615 0.755 0.938 0.500 CB 1.389 33 residues pruned to eliminate duplicates Z: 61 43.328 2.044 0.700 0.754 0.950 0.483 CB 1.351 61 residues pruned to eliminate duplicates Z: 21 24.223 2.087 0.656 0.706 0.950 0.600 CB 1.368 21 residues pruned to eliminate duplicates Z: 60 44.422 2.095 0.693 0.781 0.898 0.492 CB 1.417 60 residues pruned to eliminate duplicates Z: 40 35.539 2.135 0.637 0.755 0.949 0.564 CB 1.368 40 residues pruned to eliminate duplicates Z: 42 32.711 2.124 0.521 0.740 0.927 0.659 CB 1.376 42 residues pruned to eliminate duplicates Z: 52 33.440 2.008 0.614 0.698 0.922 0.471 CB 1.308 52 residues pruned to eliminate duplicates Z: 40 36.142 2.142 0.675 0.777 0.949 0.718 CB 1.331 40 residues pruned to eliminate duplicates Z: 21 23.519 2.115 0.480 0.730 1.000 0.700 CB 1.366 21 residues pruned to eliminate duplicates Z: 66 42.286 2.075 0.607 0.750 0.908 0.462 CB 1.387 66 residues pruned to eliminate duplicates Z: 131 59.783 2.073 0.619 0.652 0.938 0.592 CB 1.446 130 residues pruned to eliminate duplicates Z: 14 20.938 2.094 0.791 0.760 0.846 0.615 CB 1.453 14 residues pruned to eliminate duplicates Z: 55 41.902 2.118 0.612 0.594 0.981 0.722 CB 1.555 55 residues pruned to eliminate duplicates Z: 99 48.978 2.088 0.630 0.605 0.929 0.633 CB 1.417 99 residues pruned to eliminate duplicates Z: 65 39.156 2.075 0.577 0.579 0.953 0.703 CB 1.454 65 residues pruned to eliminate duplicates Z: 61 36.740 2.054 0.594 0.554 0.950 0.650 CB 1.448 61 residues pruned to eliminate duplicates Z: 80 45.100 2.058 0.675 0.714 0.911 0.595 CB 1.331 81 residues pruned to eliminate duplicates Z: 13 27.359 2.174 0.500 0.906 1.000 0.917 CB 1.722 13 residues pruned to eliminate duplicates Z: 66 38.179 2.062 0.625 0.595 0.908 0.646 CB 1.422 66 residues pruned to eliminate duplicates Z: 122 57.285 2.078 0.635 0.670 0.934 0.554 CB 1.402 122 residues pruned to eliminate duplicates Z: 84 48.064 2.096 0.625 0.632 0.952 0.663 CB 1.437 84 residues pruned to eliminate duplicates Z: 59 37.412 2.066 0.649 0.552 0.931 0.724 CB 1.472 59 residues pruned to eliminate duplicates Z: 58 37.820 2.073 0.612 0.562 0.947 0.772 CB 1.489 58 residues pruned to eliminate duplicates Z: 58 34.072 2.061 0.548 0.547 0.912 0.649 CB 1.480 58 residues pruned to eliminate duplicates Z: 82 36.822 2.050 0.460 0.565 0.926 0.580 CB 1.386 82 residues pruned to eliminate duplicates Z: 60 34.390 2.055 0.569 0.568 0.932 0.644 CB 1.395 60 residues pruned to eliminate duplicates Z: 44 33.925 2.073 0.663 0.585 0.930 0.721 CB 1.486 44 residues pruned to eliminate duplicates Z: 57 33.700 2.072 0.517 0.543 0.946 0.661 CB 1.452 57 residues pruned to eliminate duplicates Z: 97 56.117 2.131 0.641 0.661 0.958 0.729 CB 1.472 97 residues pruned to eliminate duplicates Z: 66 39.070 2.030 0.669 0.594 0.923 0.708 CB 1.416 66 residues pruned to eliminate duplicates Z: 29 23.004 2.079 0.350 0.524 0.964 0.714 CB 1.570 29 residues pruned to eliminate duplicates Z: 60 36.957 2.032 0.658 0.560 0.932 0.542 CB 1.445 60 residues pruned to eliminate duplicates Z: 59 32.481 2.035 0.495 0.533 0.931 0.672 CB 1.458 59 residues pruned to eliminate duplicates Z: 58 44.031 2.065 0.775 0.585 0.982 0.544 CB 1.494 58 residues pruned to eliminate duplicates Z: 60 41.390 2.067 0.727 0.570 0.949 0.678 CB 1.486 60 residues pruned to eliminate duplicates Z: 42 29.063 2.054 0.532 0.486 0.976 0.659 CB 1.500 42 residues pruned to eliminate duplicates Z: 39 31.577 2.075 0.706 0.506 0.921 0.553 CB 1.561 39 residues pruned to eliminate duplicates Z: 38 27.831 2.065 0.508 0.524 0.946 0.568 CB 1.516 38 residues pruned to eliminate duplicates Z: 58 36.842 2.065 0.659 0.558 0.912 0.649 CB 1.476 58 residues pruned to eliminate duplicates Z: 107 47.555 2.057 0.573 0.631 0.915 0.557 CB 1.380 107 residues pruned to eliminate duplicates Z: 61 37.412 2.040 0.653 0.554 0.950 0.633 CB 1.430 61 residues pruned to eliminate duplicates Z: 34 32.735 2.113 0.623 0.521 1.000 0.576 CB 1.628 34 residues pruned to eliminate duplicates Z: 45 29.936 2.053 0.619 0.493 0.932 0.591 CB 1.468 45 residues pruned to eliminate duplicates Z: 37 30.030 2.056 0.688 0.528 0.944 0.583 CB 1.486 37 residues pruned to eliminate duplicates Z: 128 59.052 2.072 0.598 0.646 0.945 0.559 CB 1.462 128 residues pruned to eliminate duplicates Z: 41 29.763 1.984 0.572 0.521 0.975 0.525 CB 1.516 41 residues pruned to eliminate duplicates Z: 41 27.426 2.002 0.544 0.495 0.925 0.575 CB 1.524 41 residues pruned to eliminate duplicates Z: 44 30.252 2.033 0.634 0.582 0.907 0.558 CB 1.415 44 residues pruned to eliminate duplicates Z: 62 37.271 2.013 0.641 0.537 0.951 0.557 CB 1.465 62 residues pruned to eliminate duplicates Z: 48 28.412 1.989 0.566 0.493 0.957 0.617 CB 1.399 48 residues pruned to eliminate duplicates Z: 129 58.698 2.096 0.613 0.653 0.922 0.555 CB 1.444 129 residues pruned to eliminate duplicates Z: 52 32.540 2.061 0.605 0.542 0.902 0.588 CB 1.466 52 residues pruned to eliminate duplicates Z: 51 29.632 1.996 0.644 0.543 0.900 0.480 CB 1.361 51 residues pruned to eliminate duplicates Z: 37 30.478 2.075 0.558 0.545 0.972 0.667 CB 1.547 37 residues pruned to eliminate duplicates Z: 45 26.409 1.990 0.560 0.550 0.886 0.500 CB 1.378 45 residues pruned to eliminate duplicates Z: 46 34.644 2.075 0.616 0.514 0.978 0.556 CB 1.553 46 residues pruned to eliminate duplicates Z: 48 33.177 2.074 0.650 0.588 0.957 0.489 CB 1.357 48 residues pruned to eliminate duplicates Z: 40 30.988 2.037 0.668 0.500 0.923 0.564 CB 1.582 40 residues pruned to eliminate duplicates Z: 45 31.116 2.038 0.672 0.566 0.932 0.523 CB 1.385 45 residues pruned to eliminate duplicates Z: 12 20.126 2.001 1.059 0.583 1.000 0.636 CB 1.360 12 residues pruned to eliminate duplicates Z: 43 25.427 1.998 0.603 0.468 0.905 0.548 CB 1.400 43 residues pruned to eliminate duplicates Z: 77 48.966 2.099 0.722 0.588 0.961 0.566 CB 1.487 77 residues pruned to eliminate duplicates Z: 11 11.584 1.931 0.579 0.428 1.000 0.800 CA 1.295 11 residues pruned to eliminate duplicates Z: 75 35.814 2.051 0.575 0.485 0.892 0.527 CB 1.467 75 residues pruned to eliminate duplicates Z: 32 27.342 2.105 0.576 0.494 0.935 0.484 CB 1.591 32 residues pruned to eliminate duplicates Z: 56 32.748 2.092 0.565 0.461 0.945 0.618 CB 1.484 56 residues pruned to eliminate duplicates Z: 33 31.105 2.096 0.796 0.582 0.938 0.562 CB 1.440 33 residues pruned to eliminate duplicates Z: 6 9.628 2.080 0.637 0.410 1.000 0.800 CB 1.389 6 residues pruned to eliminate duplicates Z: 32 32.082 2.119 0.746 0.606 1.000 0.677 CB 1.409 32 residues pruned to eliminate duplicates Z: 16 16.161 2.113 0.494 0.374 1.000 0.467 CA 1.513 16 residues pruned to eliminate duplicates Z: 102 48.344 2.049 0.592 0.616 0.941 0.644 CB 1.405 102 residues pruned to eliminate duplicates Z: 32 30.183 2.129 0.676 0.646 0.968 0.774 CA 1.370 32 residues pruned to eliminate duplicates Z: 17 10.329 2.065 0.342 0.347 0.812 0.375 CB 1.354 17 residues pruned to eliminate duplicates Z: 136 62.704 2.095 0.643 0.626 0.933 0.607 CB 1.491 136 residues pruned to eliminate duplicates Z: 7 8.197 1.625 0.814 0.436 1.000 0.500 CB 1.213 7 residues pruned to eliminate duplicates Z: 32 32.712 2.142 0.697 0.609 1.000 0.710 CA 1.458 32 residues pruned to eliminate duplicates Z: 41 32.402 2.092 0.584 0.584 0.975 0.725 CA 1.464 41 residues pruned to eliminate duplicates Z: 33 29.357 2.085 0.669 0.591 1.000 0.562 CA 1.367 33 residues pruned to eliminate duplicates Z: 32 33.696 2.130 0.790 0.614 1.000 0.710 CA 1.426 32 residues pruned to eliminate duplicates Z: 33 30.643 2.058 0.746 0.624 0.969 0.750 CA 1.385 33 residues pruned to eliminate duplicates Z: 32 33.343 2.136 0.687 0.650 1.000 0.806 CA 1.445 32 residues pruned to eliminate duplicates Z: 33 33.115 2.101 0.722 0.629 1.000 0.719 CB 1.432 33 residues pruned to eliminate duplicates Z: 32 32.657 2.134 0.740 0.639 0.968 0.742 CB 1.433 32 residues pruned to eliminate duplicates Z: 17 31.137 2.114 1.052 0.903 1.000 0.562 CA 1.279 17 residues pruned to eliminate duplicates Z: 32 31.706 2.142 0.647 0.642 1.000 0.677 CB 1.414 32 residues pruned to eliminate duplicates Z: 31 34.021 2.144 0.781 0.652 1.000 0.567 CB 1.411 31 residues pruned to eliminate duplicates Z: 16 31.366 2.105 1.171 0.896 0.933 0.533 CA 1.360 16 residues pruned to eliminate duplicates Z: 17 30.734 2.102 0.982 0.918 1.000 0.625 CA 1.301 17 residues pruned to eliminate duplicates Z: 32 33.737 2.141 0.720 0.642 1.000 0.645 CB 1.441 32 residues pruned to eliminate duplicates Z: 17 33.712 2.124 1.145 0.905 1.000 0.625 CA 1.316 17 residues pruned to eliminate duplicates Z: 32 33.143 2.117 0.844 0.630 0.968 0.613 CB 1.395 32 residues pruned to eliminate duplicates Z: 32 34.408 2.139 0.799 0.640 1.000 0.613 CB 1.408 32 residues pruned to eliminate duplicates Z: 32 30.911 2.123 0.804 0.622 0.968 0.484 CB 1.335 32 residues pruned to eliminate duplicates Z: 9 8.318 1.585 0.482 0.882 0.875 0.500 CA 1.035 9 residues pruned to eliminate duplicates Z: 31 13.030 1.821 0.307 0.546 0.800 0.500 CB 1.195 31 residues pruned to eliminate duplicates Z: 11 9.283 1.665 0.365 0.854 0.900 0.700 CB 1.061 11 residues pruned to eliminate duplicates Z: 12 9.822 1.597 0.435 0.822 1.000 0.545 CB 0.978 12 residues pruned to eliminate duplicates Z: 11 11.278 1.748 0.367 0.853 1.000 0.700 CA 1.103 11 residues pruned to eliminate duplicates Z: 40 26.431 1.929 0.484 0.686 0.923 0.615 CB 1.351 40 residues pruned to eliminate duplicates Z: 34 20.928 1.915 0.524 0.620 0.848 0.424 CB 1.314 34 residues pruned to eliminate duplicates Z: 11 11.934 1.781 0.507 0.757 0.900 0.500 CB 1.243 11 residues pruned to eliminate duplicates Z: 12 11.964 1.825 0.488 0.664 0.909 0.182 CB 1.256 12 residues pruned to eliminate duplicates Z: 13 11.376 1.741 0.528 0.631 0.917 0.333 CB 1.191 13 residues pruned to eliminate duplicates Z: 13 8.964 1.688 0.347 0.622 0.917 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 31 23.013 1.910 0.460 0.750 0.900 0.633 CB 1.340 31 residues pruned to eliminate duplicates Z: 37 18.078 1.846 0.395 0.567 0.861 0.472 CB 1.274 37 residues pruned to eliminate duplicates Z: 19 22.726 2.017 0.491 0.785 0.944 0.778 CB 1.467 19 residues pruned to eliminate duplicates Z: 12 18.001 1.988 0.524 0.839 0.909 0.818 CA 1.472 12 residues pruned to eliminate duplicates Z: 32 25.049 1.997 0.414 0.734 0.935 0.677 CB 1.381 32 residues pruned to eliminate duplicates Z: 25 20.583 1.914 0.545 0.707 0.917 0.583 CA 1.285 25 residues pruned to eliminate duplicates Z: 17 30.137 2.058 0.697 0.909 1.000 0.625 CA 1.531 17 residues pruned to eliminate duplicates Z: 40 34.701 2.001 0.501 0.767 1.000 0.564 CB 1.461 40 residues pruned to eliminate duplicates Z: 91 46.011 2.037 0.567 0.617 0.967 0.656 CB 1.407 91 residues pruned to eliminate duplicates Z: 92 45.207 1.998 0.729 0.660 0.879 0.571 CB 1.345 92 residues pruned to eliminate duplicates Z: 31 24.498 1.985 0.365 0.764 0.933 0.700 CB 1.400 31 residues pruned to eliminate duplicates Z: 37 24.015 1.948 0.428 0.699 0.917 0.611 CB 1.309 37 residues pruned to eliminate duplicates Z: 41 29.629 1.959 0.497 0.737 0.950 0.625 CB 1.359 41 residues pruned to eliminate duplicates Z: 31 23.576 1.949 0.426 0.726 0.900 0.633 CB 1.403 31 residues pruned to eliminate duplicates Z: 31 20.124 1.902 0.339 0.694 0.933 0.600 CA 1.294 31 residues pruned to eliminate duplicates Z: 46 30.852 1.949 0.398 0.755 0.978 0.578 CB 1.376 46 residues pruned to eliminate duplicates Z: 68 35.910 1.964 0.517 0.725 0.910 0.627 CB 1.320 68 residues pruned to eliminate duplicates Z: 80 54.032 2.063 0.804 0.733 0.924 0.595 CB 1.433 80 residues pruned to eliminate duplicates Z: 80 46.194 2.045 0.640 0.727 0.899 0.646 CB 1.405 80 residues pruned to eliminate duplicates Z: 133 58.438 2.100 0.670 0.640 0.909 0.636 CB 1.400 133 residues pruned to eliminate duplicates Z: 79 43.955 1.994 0.576 0.719 0.936 0.654 CB 1.388 79 residues pruned to eliminate duplicates Z: 66 41.362 2.019 0.539 0.717 0.954 0.508 CB 1.423 66 residues pruned to eliminate duplicates Z: 25 27.168 2.016 0.551 0.744 0.958 0.625 CA 1.489 25 residues pruned to eliminate duplicates Z: 38 33.490 2.000 0.490 0.781 0.973 0.622 CB 1.482 38 residues pruned to eliminate duplicates Z: 55 34.328 1.941 0.495 0.730 0.944 0.574 CB 1.386 55 residues pruned to eliminate duplicates Z: 33 34.508 1.990 0.639 0.783 0.969 0.562 CA 1.505 33 residues pruned to eliminate duplicates Z: 45 29.231 1.907 0.493 0.743 0.932 0.636 CB 1.336 45 residues pruned to eliminate duplicates Z: 41 32.650 1.938 0.518 0.766 0.975 0.625 CA 1.421 41 residues pruned to eliminate duplicates Z: 122 59.166 2.099 0.639 0.646 0.934 0.628 CB 1.460 122 residues pruned to eliminate duplicates Z: 36 26.485 1.911 0.527 0.731 0.943 0.457 CB 1.322 36 residues pruned to eliminate duplicates Z: 65 50.322 2.047 0.797 0.730 0.938 0.531 CB 1.483 65 residues pruned to eliminate duplicates Z: 80 54.372 2.052 0.768 0.739 0.937 0.557 CB 1.453 80 residues pruned to eliminate duplicates Z: 107 52.675 2.121 0.662 0.622 0.934 0.642 CB 1.384 107 residues pruned to eliminate duplicates Z: 57 41.477 1.975 0.685 0.727 0.964 0.589 CB 1.408 57 residues pruned to eliminate duplicates Z: 58 37.182 1.952 0.550 0.751 0.965 0.579 CB 1.348 58 residues pruned to eliminate duplicates Z: 52 46.134 2.100 0.963 0.727 0.902 0.647 CB 1.415 52 residues pruned to eliminate duplicates Z: 133 61.548 2.088 0.718 0.625 0.939 0.561 CB 1.413 133 residues pruned to eliminate duplicates Z: 66 44.306 2.009 0.702 0.720 0.908 0.492 CB 1.452 66 residues pruned to eliminate duplicates Z: 19 18.493 1.942 0.758 0.704 0.833 0.667 CB 1.272 19 residues pruned to eliminate duplicates Z: 84 54.423 2.054 0.811 0.701 0.904 0.578 CB 1.480 84 residues pruned to eliminate duplicates Z: 66 48.689 2.047 0.780 0.743 0.923 0.523 CB 1.444 66 residues pruned to eliminate duplicates Z: 17 21.089 1.996 0.748 0.706 0.875 0.688 CB 1.431 17 residues pruned to eliminate duplicates Z: 29 29.137 2.017 0.843 0.691 0.893 0.679 CB 1.393 29 residues pruned to eliminate duplicates Z: 121 62.701 2.116 0.765 0.650 0.908 0.617 CB 1.468 121 residues pruned to eliminate duplicates Z: 67 44.635 1.995 0.700 0.714 0.939 0.606 CB 1.421 67 residues pruned to eliminate duplicates Z: 124 61.644 2.083 0.699 0.653 0.943 0.618 CB 1.445 124 residues pruned to eliminate duplicates Z: 35 25.783 1.993 0.764 0.639 0.824 0.529 CB 1.341 35 residues pruned to eliminate duplicates Z: 67 49.833 2.028 0.791 0.735 0.924 0.561 CB 1.480 67 residues pruned to eliminate duplicates Z: 28 27.909 2.082 0.939 0.615 0.889 0.667 CB 1.342 28 residues pruned to eliminate duplicates Z: 21 26.747 2.084 0.996 0.634 0.900 0.600 CB 1.409 21 residues pruned to eliminate duplicates Z: 11 19.551 2.065 0.852 0.608 1.000 0.500 CA 1.459 11 residues pruned to eliminate duplicates Z: 56 40.783 2.081 0.820 0.633 0.891 0.600 CB 1.438 56 residues pruned to eliminate duplicates Z: 29 27.466 2.045 0.800 0.687 0.857 0.571 CB 1.386 29 residues pruned to eliminate duplicates Z: 38 38.227 2.062 0.945 0.697 0.919 0.595 CB 1.425 38 residues pruned to eliminate duplicates Z: 40 35.148 2.047 0.872 0.691 0.897 0.513 CB 1.374 40 residues pruned to eliminate duplicates Z: 69 42.306 1.965 0.707 0.709 0.926 0.515 CB 1.366 69 residues pruned to eliminate duplicates Z: 127 61.348 2.102 0.684 0.635 0.937 0.651 CB 1.452 127 residues pruned to eliminate duplicates Z: 51 34.665 2.047 0.744 0.667 0.840 0.600 CB 1.401 51 residues pruned to eliminate duplicates Z: 79 46.764 2.016 0.667 0.739 0.923 0.641 CB 1.378 79 residues pruned to eliminate duplicates Z: 65 45.054 2.052 0.769 0.688 0.922 0.672 CB 1.417 65 residues pruned to eliminate duplicates Z: 68 45.123 2.025 0.796 0.704 0.896 0.597 CB 1.406 68 residues pruned to eliminate duplicates Z: 88 50.420 2.163 0.672 0.595 0.943 0.644 CB 1.448 88 residues pruned to eliminate duplicates Z: 105 62.230 2.105 0.703 0.706 0.962 0.625 CB 1.469 105 residues pruned to eliminate duplicates Z: 91 51.090 2.016 0.761 0.707 0.911 0.622 CB 1.380 91 residues pruned to eliminate duplicates Z: 56 38.615 2.101 0.675 0.645 0.891 0.600 CB 1.451 56 residues pruned to eliminate duplicates Z: 80 45.508 2.029 0.761 0.696 0.861 0.532 CB 1.392 80 residues pruned to eliminate duplicates Z: 26 22.019 2.000 0.709 0.607 0.880 0.680 CB 1.323 26 residues pruned to eliminate duplicates Z: 68 42.625 2.157 0.694 0.541 0.925 0.687 CB 1.480 68 residues pruned to eliminate duplicates Z: 16 20.753 2.021 0.752 0.707 0.933 0.867 CA 1.344 16 residues pruned to eliminate duplicates Z: 123 62.769 2.110 0.702 0.638 0.934 0.623 CB 1.489 123 residues pruned to eliminate duplicates Z: 60 43.727 2.144 0.617 0.596 0.983 0.712 CB 1.523 60 residues pruned to eliminate duplicates Z: 70 38.179 2.152 0.562 0.552 0.928 0.638 CB 1.401 70 residues pruned to eliminate duplicates Z: 62 38.355 2.148 0.547 0.545 0.934 0.689 CB 1.514 62 residues pruned to eliminate duplicates Z: 70 41.806 2.162 0.612 0.562 0.928 0.768 CB 1.466 70 residues pruned to eliminate duplicates Z: 19 23.544 2.140 0.805 0.695 0.889 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 69 40.093 2.166 0.638 0.553 0.941 0.662 CB 1.383 69 residues pruned to eliminate duplicates Z: 19 19.705 2.054 0.969 0.593 0.778 0.667 CA 1.351 19 residues pruned to eliminate duplicates Z: 27 27.016 2.047 0.759 0.577 0.962 0.615 CA 1.422 27 residues pruned to eliminate duplicates Z: 65 37.672 2.116 0.600 0.541 0.938 0.641 CB 1.425 65 residues pruned to eliminate duplicates Z: 69 40.233 2.135 0.652 0.535 0.956 0.544 CB 1.398 69 residues pruned to eliminate duplicates Z: 28 30.168 2.092 0.681 0.671 0.926 0.704 CA 1.522 28 residues pruned to eliminate duplicates Z: 95 56.959 2.147 0.734 0.618 0.947 0.670 CB 1.491 95 residues pruned to eliminate duplicates Z: 78 50.894 2.187 0.676 0.606 0.935 0.727 CB 1.530 78 residues pruned to eliminate duplicates Z: 79 47.885 2.135 0.647 0.608 0.936 0.667 CB 1.486 79 residues pruned to eliminate duplicates Z: 59 39.996 2.181 0.604 0.584 0.931 0.690 CB 1.487 59 residues pruned to eliminate duplicates Z: 34 23.390 2.018 0.514 0.551 0.909 0.485 CB 1.395 34 residues pruned to eliminate duplicates Z: 113 56.436 2.105 0.755 0.618 0.920 0.625 CB 1.405 113 residues pruned to eliminate duplicates Z: 57 47.577 2.206 0.745 0.603 0.982 0.714 CB 1.524 57 residues pruned to eliminate duplicates Z: 95 50.598 2.139 0.707 0.588 0.894 0.543 CB 1.470 95 residues pruned to eliminate duplicates Z: 64 42.785 2.155 0.753 0.567 0.937 0.540 CB 1.428 64 residues pruned to eliminate duplicates Z: 58 42.505 2.200 0.676 0.573 0.947 0.667 CB 1.502 58 residues pruned to eliminate duplicates Z: 64 39.078 2.122 0.744 0.541 0.889 0.667 CB 1.438 64 residues pruned to eliminate duplicates Z: 99 49.777 2.143 0.701 0.559 0.908 0.694 CB 1.436 99 residues pruned to eliminate duplicates Z: 24 28.005 2.191 0.549 0.621 1.000 0.739 CB 1.535 24 residues pruned to eliminate duplicates Z: 59 43.448 2.181 0.692 0.588 0.931 0.690 CB 1.526 59 residues pruned to eliminate duplicates Z: 72 45.522 2.163 0.733 0.547 0.944 0.648 CB 1.458 72 residues pruned to eliminate duplicates Z: 88 49.001 2.155 0.706 0.567 0.943 0.621 CB 1.420 88 residues pruned to eliminate duplicates Z: 101 46.345 2.104 0.706 0.547 0.900 0.600 CB 1.371 101 residues pruned to eliminate duplicates Z: 52 33.306 2.108 0.633 0.522 0.941 0.588 CB 1.409 52 residues pruned to eliminate duplicates Z: 94 46.743 2.130 0.722 0.567 0.903 0.634 CB 1.371 94 residues pruned to eliminate duplicates Z: 58 40.401 2.171 0.710 0.553 0.930 0.596 CB 1.472 58 residues pruned to eliminate duplicates Z: 59 35.970 2.105 0.648 0.517 0.948 0.448 CB 1.411 59 residues pruned to eliminate duplicates Z: 105 52.416 2.132 0.709 0.593 0.894 0.567 CB 1.443 105 residues pruned to eliminate duplicates Z: 81 40.755 2.112 0.635 0.539 0.900 0.562 CB 1.411 81 residues pruned to eliminate duplicates Z: 44 25.943 2.091 0.740 0.453 0.884 0.535 CB 1.290 44 residues pruned to eliminate duplicates Z: 70 42.383 2.168 0.684 0.549 0.942 0.536 CB 1.414 70 residues pruned to eliminate duplicates Z: 73 43.892 2.124 0.769 0.553 0.903 0.569 CB 1.447 73 residues pruned to eliminate duplicates Z: 51 32.188 2.125 0.659 0.485 0.940 0.580 CB 1.394 51 residues pruned to eliminate duplicates Z: 69 40.024 2.139 0.670 0.543 0.912 0.544 CB 1.429 69 residues pruned to eliminate duplicates Z: 144 64.455 2.078 0.713 0.639 0.944 0.601 CB 1.408 145 residues pruned to eliminate duplicates Z: 6 7.424 1.991 0.749 0.615 0.800 0.400 CA 1.069 6 residues pruned to eliminate duplicates Z: 67 43.871 2.187 0.652 0.591 0.939 0.606 CB 1.459 67 residues pruned to eliminate duplicates Z: 45 36.827 2.182 0.656 0.563 0.955 0.568 CB 1.514 45 residues pruned to eliminate duplicates Z: 57 34.425 2.124 0.613 0.518 0.964 0.607 CB 1.367 57 residues pruned to eliminate duplicates Z: 26 15.643 1.982 0.471 0.434 0.920 0.520 CB 1.249 26 residues pruned to eliminate duplicates Z: 58 43.681 2.173 0.718 0.547 0.947 0.509 CB 1.562 58 residues pruned to eliminate duplicates Z: 72 41.841 2.090 0.620 0.604 0.958 0.606 CB 1.387 72 residues pruned to eliminate duplicates Z: 79 50.719 2.163 0.781 0.607 0.936 0.641 CB 1.439 79 residues pruned to eliminate duplicates Z: 56 34.449 2.152 0.679 0.499 0.909 0.564 CB 1.415 56 residues pruned to eliminate duplicates Z: 92 55.210 2.134 0.789 0.559 0.956 0.560 CB 1.497 92 residues pruned to eliminate duplicates Z: 43 36.233 2.234 0.689 0.506 0.952 0.548 CB 1.546 43 residues pruned to eliminate duplicates Z: 103 56.349 2.117 0.738 0.636 0.922 0.637 CB 1.449 103 residues pruned to eliminate duplicates Z: 133 62.190 2.101 0.691 0.648 0.932 0.606 CB 1.424 133 residues pruned to eliminate duplicates Z: 112 56.941 2.175 0.711 0.608 0.892 0.649 CB 1.469 112 residues pruned to eliminate duplicates Z: 84 51.780 2.164 0.775 0.587 0.916 0.542 CB 1.486 84 residues pruned to eliminate duplicates Z: 41 29.066 2.091 0.729 0.571 0.875 0.450 CB 1.357 41 residues pruned to eliminate duplicates Z: 34 20.501 2.011 0.656 0.475 0.909 0.485 CB 1.209 34 residues pruned to eliminate duplicates Z: 15 10.028 1.874 1.000 0.527 0.857 0.571 CB 0.813 12 residues pruned to eliminate duplicates Z: 9 6.209 1.962 0.455 0.515 0.875 0.375 CB 0.865 9 residues pruned to eliminate duplicates Z: 14 9.955 1.911 0.786 0.370 0.846 0.538 CB 1.099 29 residues pruned to eliminate duplicates Z: 15 6.125 1.786 0.465 0.493 1.000 0.500 CB 0.630 6 1.889 1.289 0.653 0.304 0.600 0.200 CA 0.822 ? Z: 22 31.638 2.216 0.722 0.826 0.952 0.714 CA 1.434 22 residues pruned to eliminate duplicates Z: 28 26.665 2.047 0.674 0.658 0.926 0.667 CA 1.397 28 residues pruned to eliminate duplicates Z: 26 33.177 2.128 0.717 0.745 1.000 0.880 CA 1.459 26 residues pruned to eliminate duplicates Z: 26 31.465 2.189 0.577 0.738 0.960 0.680 CB 1.534 26 residues pruned to eliminate duplicates Z: 26 32.377 2.122 0.765 0.705 0.960 0.800 CA 1.495 26 residues pruned to eliminate duplicates Z: 27 30.428 2.077 0.730 0.676 0.923 0.692 CA 1.530 27 residues pruned to eliminate duplicates Z: 25 33.473 2.191 0.734 0.732 0.958 0.667 CB 1.523 25 residues pruned to eliminate duplicates Z: 23 39.138 2.256 0.852 0.770 1.000 0.727 CB 1.573 23 residues pruned to eliminate duplicates Z: 26 35.740 2.176 0.871 0.742 0.920 0.800 CA 1.536 26 residues pruned to eliminate duplicates Z: 25 40.228 2.180 1.068 0.751 0.958 0.750 CB 1.519 27 residues pruned to eliminate duplicates Z: 20 36.189 2.256 0.841 0.910 0.947 0.632 CA 1.496 20 residues pruned to eliminate duplicates Z: 26 34.251 2.166 0.733 0.770 0.960 0.680 CA 1.496 26 residues pruned to eliminate duplicates Z: 24 39.615 2.195 1.021 0.757 0.957 0.696 CB 1.549 24 residues pruned to eliminate duplicates Z: 25 38.775 2.162 1.038 0.760 0.958 0.667 CA 1.487 25 residues pruned to eliminate duplicates Z: 20 41.545 2.253 1.089 0.886 0.947 0.526 CA 1.542 20 residues pruned to eliminate duplicates Z: 26 33.741 2.163 0.859 0.746 0.880 0.600 CA 1.531 26 residues pruned to eliminate duplicates Z: 26 33.938 2.165 1.047 0.715 0.880 0.560 CB 1.433 26 residues pruned to eliminate duplicates Z: 26 32.402 2.116 0.776 0.714 0.920 0.600 CB 1.543 26 residues pruned to eliminate duplicates Z: 28 34.882 2.068 0.857 0.728 1.000 0.556 CA 1.423 28 residues pruned to eliminate duplicates Z: 28 34.011 2.063 0.845 0.728 0.963 0.556 CA 1.453 28 residues pruned to eliminate duplicates Z: 27 37.534 2.113 0.867 0.803 1.000 0.692 CA 1.432 27 residues pruned to eliminate duplicates 386 residues left after pruning, divided into chains as follows: A: 8 B: 33 C: 32 D: 151 E: 9 F: 153 CC for partial structure against native data = 40.53 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.400, Connect. = 0.708 for dens.mod. cycle 1 = 0.305, Contrast = 0.452, Connect. = 0.730 for dens.mod. cycle 2 = 0.306, Contrast = 0.567, Connect. = 0.773 for dens.mod. cycle 3 = 0.306, Contrast = 0.567, Connect. = 0.772 for dens.mod. cycle 4 = 0.306, Contrast = 0.584, Connect. = 0.775 for dens.mod. cycle 5 = 0.306, Contrast = 0.586, Connect. = 0.775 for dens.mod. cycle 6 = 0.306, Contrast = 0.596, Connect. = 0.777 for dens.mod. cycle 7 = 0.306, Contrast = 0.599, Connect. = 0.778 for dens.mod. cycle 8 = 0.306, Contrast = 0.605, Connect. = 0.779 for dens.mod. cycle 9 = 0.306, Contrast = 0.607, Connect. = 0.779 for dens.mod. cycle 10 TimeTaking 176.78