++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:09:17 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.ins Phases from ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phi Native data from ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.hkl Listing output to ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.lst Phases output to ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phs Poly-Ala trace output to ./2fno-1.9-parrot-noncs/2fno-1.9-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: C 1 2 1 Allowed origin shift code: 3 38894 Reflections read from file ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phi 38894 Reflections read from file ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.hkl 38894 Unique data, highest resolution = 1.905 Angstroms Anisotropic scaling: intensities multiplied by 0.000142h^2 -0.000213k^2 +0.000061l^2 +0.000000kl +0.000300hl +0.000000hk 439 Reflections with d > 2.105 and 0 in range 2.105 > d > 1.905 added Density sharpening factor set to 0.89 Fourier grid = 256 x 128 x 93 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.776 = 0.299, Contrast = 0.180, Connect. = 0.582 for dens.mod. cycle 1 = 0.300, Contrast = 0.330, Connect. = 0.604 for dens.mod. cycle 2 = 0.300, Contrast = 0.562, Connect. = 0.708 for dens.mod. cycle 3 = 0.300, Contrast = 0.652, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.694, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.716, Connect. = 0.767 for dens.mod. cycle 6 = 0.300, Contrast = 0.729, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.737, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.742, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.745, Connect. = 0.783 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3351 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 581 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 22.741 1.915 0.712 0.857 1.000 0.929 CB 1.366 B: 22 37.679 2.168 1.057 0.903 0.952 0.667 CB 1.379 C: 18 32.095 1.895 1.137 0.919 1.000 0.882 CB 1.355 D: 19 24.595 1.822 0.956 0.869 0.944 0.833 CA 1.258 19 residues pruned to eliminate duplicates E: 17 29.360 1.928 0.928 0.909 1.000 0.750 CB 1.401 17 residues pruned to eliminate duplicates F: 24 42.150 2.110 1.095 0.905 1.000 0.783 CA 1.415 22 residues pruned to eliminate duplicates G: 19 29.806 1.912 1.310 0.900 0.889 0.722 CA 1.278 H: 24 36.289 2.076 0.861 0.937 1.000 0.739 CA 1.363 24 residues pruned to eliminate duplicates I: 13 18.432 1.872 0.520 0.892 1.000 1.000 CA 1.344 13 residues pruned to eliminate duplicates J: 26 23.341 1.867 0.828 0.843 0.920 0.560 CB 1.106 K: 26 22.965 1.883 0.691 0.862 0.920 0.600 CB 1.151 26 residues pruned to eliminate duplicates L: 18 23.222 1.877 0.971 0.880 0.941 0.647 CA 1.172 18 residues pruned to eliminate duplicates M: 16 16.138 1.731 0.763 0.773 0.867 0.667 CB 1.237 N: 24 41.627 2.107 1.201 0.932 1.000 0.652 CB 1.307 24 residues pruned to eliminate duplicates O: 13 24.220 1.897 0.915 0.894 1.000 0.750 CB 1.380 P: 18 24.367 1.919 0.975 0.885 0.882 0.647 CA 1.277 18 residues pruned to eliminate duplicates Q: 17 21.254 1.895 0.575 0.915 0.938 0.812 CB 1.342 17 residues pruned to eliminate duplicates R: 16 16.531 1.775 0.454 0.837 1.000 0.800 CB 1.237 15 residues pruned to eliminate duplicates S: 22 41.812 2.078 1.240 0.931 1.000 0.571 CB 1.370 22 residues pruned to eliminate duplicates T: 14 12.733 1.834 0.757 0.804 0.769 0.385 CB 1.093 14 residues pruned to eliminate duplicates U: 14 27.711 2.083 0.886 0.901 1.000 0.692 CB 1.396 14 residues pruned to eliminate duplicates V: 25 19.444 1.877 0.819 0.874 0.792 0.458 CB 1.069 25 residues pruned to eliminate duplicates W: 15 20.945 1.862 0.623 0.833 1.000 0.786 CA 1.389 15 residues pruned to eliminate duplicates X: 21 16.210 1.841 0.635 0.902 0.900 0.750 CB 0.954 Y: 14 27.992 1.859 1.112 0.896 1.000 0.769 CA 1.416 14 residues pruned to eliminate duplicates Z: 18 30.515 1.925 1.212 0.907 1.000 0.765 CA 1.236 18 residues pruned to eliminate duplicates Z: 26 17.828 1.793 0.682 0.889 1.000 0.520 CB 0.851 21 residues pruned to eliminate duplicates Z: 9 10.180 1.745 0.736 0.563 0.875 0.500 CB 1.277 Z: 23 39.975 2.003 1.249 0.916 1.000 0.545 CB 1.336 23 residues pruned to eliminate duplicates Z: 10 23.484 2.059 0.963 0.911 1.000 0.778 CB 1.373 10 residues pruned to eliminate duplicates Z: 16 20.439 1.783 1.107 0.836 0.867 0.667 CB 1.213 16 residues pruned to eliminate duplicates Z: 17 26.939 1.909 0.900 0.917 1.000 0.688 CB 1.311 17 residues pruned to eliminate duplicates Z: 14 20.779 1.897 1.047 0.844 0.846 0.615 CB 1.305 16 residues pruned to eliminate duplicates Z: 14 23.416 1.903 0.707 0.880 1.000 0.769 CB 1.449 15 residues pruned to eliminate duplicates Z: 15 23.380 1.896 0.972 0.907 0.929 0.357 CB 1.279 15 residues pruned to eliminate duplicates Z: 23 46.012 2.079 1.378 0.925 1.000 0.545 CB 1.393 24 residues pruned to eliminate duplicates Z: 18 30.687 1.946 1.213 0.905 1.000 0.706 CA 1.230 18 residues pruned to eliminate duplicates Z: 22 30.047 2.035 0.893 0.928 1.000 0.857 CA 1.192 22 residues pruned to eliminate duplicates Z: 21 16.973 1.915 0.221 0.873 1.000 0.850 CB 1.182 21 residues pruned to eliminate duplicates Z: 15 20.662 1.896 0.714 0.825 0.929 0.786 CA 1.381 15 residues pruned to eliminate duplicates Z: 17 28.072 1.915 1.300 0.898 0.938 0.562 CA 1.216 17 residues pruned to eliminate duplicates Z: 16 31.339 1.950 1.071 0.935 1.000 0.800 CA 1.397 16 residues pruned to eliminate duplicates Z: 19 32.538 1.885 0.996 0.948 1.000 0.667 CA 1.408 Z: 15 25.919 1.878 1.264 0.836 0.929 0.643 CB 1.313 15 residues pruned to eliminate duplicates Z: 16 26.171 1.902 1.032 0.832 0.933 0.333 CA 1.407 14 residues pruned to eliminate duplicates Z: 22 17.964 1.840 0.694 0.910 0.905 0.714 CB 0.986 22 residues pruned to eliminate duplicates Z: 17 15.842 1.912 0.108 0.928 1.000 0.938 CB 1.309 17 residues pruned to eliminate duplicates Z: 18 27.687 1.858 0.877 0.914 1.000 0.882 CA 1.363 18 residues pruned to eliminate duplicates Z: 22 44.718 2.142 1.303 0.922 1.000 0.571 CB 1.391 23 residues pruned to eliminate duplicates Z: 19 24.598 1.871 0.712 0.900 1.000 0.667 CA 1.293 18 residues pruned to eliminate duplicates Z: 25 16.728 1.801 0.558 0.922 1.000 0.542 CB 0.856 25 residues pruned to eliminate duplicates Z: 12 17.245 1.919 0.558 0.923 0.909 0.909 CA 1.344 12 residues pruned to eliminate duplicates Z: 16 27.675 1.936 0.996 0.928 0.933 0.867 CA 1.388 16 residues pruned to eliminate duplicates Z: 19 22.790 1.751 1.016 0.905 1.000 0.722 CA 1.083 19 residues pruned to eliminate duplicates Z: 14 19.987 1.863 0.977 0.831 0.923 0.615 CB 1.225 14 residues pruned to eliminate duplicates Z: 23 40.570 2.065 1.497 0.913 0.955 0.318 CB 1.243 23 residues pruned to eliminate duplicates Z: 18 25.005 1.946 0.747 0.884 1.000 0.706 CA 1.289 18 residues pruned to eliminate duplicates Z: 24 35.615 2.047 1.075 0.902 0.957 0.609 CB 1.304 24 residues pruned to eliminate duplicates Z: 17 17.346 1.667 0.952 0.892 1.000 0.812 CA 0.957 Z: 12 20.837 1.977 0.813 0.913 0.909 0.818 CA 1.364 12 residues pruned to eliminate duplicates Z: 16 28.238 1.962 0.853 0.910 1.000 0.933 CA 1.422 16 residues pruned to eliminate duplicates Z: 18 19.304 1.912 0.763 0.876 0.882 0.647 CA 1.143 18 residues pruned to eliminate duplicates Z: 8 13.508 1.829 0.886 0.851 1.000 1.000 CB 1.096 Z: 12 14.973 1.654 0.726 0.915 1.000 0.818 CB 1.118 Z: 11 8.575 1.817 0.440 0.370 0.900 0.600 CB 1.324 Z: 27 20.029 1.807 0.351 0.881 1.000 0.731 CB 1.165 27 residues pruned to eliminate duplicates Z: 20 28.661 2.102 0.785 0.861 0.895 0.789 CA 1.439 20 residues pruned to eliminate duplicates Z: 8 13.302 1.807 0.892 0.879 1.000 0.857 CB 1.066 7 residues pruned to eliminate duplicates Z: 20 30.645 1.848 1.087 0.905 1.000 0.632 CA 1.297 20 residues pruned to eliminate duplicates Z: 11 14.549 1.902 0.745 0.764 0.900 0.700 CA 1.219 11 residues pruned to eliminate duplicates Z: 16 24.474 1.842 1.015 0.903 0.933 0.533 CA 1.300 16 residues pruned to eliminate duplicates Z: 18 27.329 1.925 0.926 0.909 0.941 0.941 CA 1.347 18 residues pruned to eliminate duplicates Z: 18 19.468 1.942 0.464 0.887 0.941 0.765 CB 1.272 18 residues pruned to eliminate duplicates Z: 25 16.598 1.833 0.315 0.866 0.958 0.833 CB 1.074 25 residues pruned to eliminate duplicates Z: 17 22.305 1.958 0.756 0.917 0.938 0.938 CA 1.221 17 residues pruned to eliminate duplicates Z: 22 15.113 1.828 0.458 0.896 0.952 0.619 CB 0.930 22 residues pruned to eliminate duplicates Z: 14 11.400 1.719 0.665 0.464 0.923 0.385 CA 1.242 9 residues pruned to eliminate duplicates Z: 21 16.448 1.823 0.591 0.925 0.950 0.550 CB 0.936 21 residues pruned to eliminate duplicates Z: 14 18.945 1.876 0.885 0.850 0.923 0.538 CB 1.192 14 residues pruned to eliminate duplicates Z: 18 28.768 1.863 1.314 0.870 0.882 0.647 CB 1.340 20 residues pruned to eliminate duplicates Z: 14 20.260 1.960 0.577 0.836 0.923 0.769 CB 1.474 15 residues pruned to eliminate duplicates Z: 14 18.734 1.886 0.821 0.810 0.923 0.692 CB 1.251 14 residues pruned to eliminate duplicates Z: 17 29.827 1.882 1.013 0.898 1.000 0.750 CA 1.408 17 residues pruned to eliminate duplicates Z: 14 26.728 1.982 0.944 0.863 1.000 0.923 CB 1.411 13 residues pruned to eliminate duplicates Z: 10 12.869 1.768 0.539 0.857 1.000 0.667 CB 1.161 Z: 12 28.329 1.967 1.170 0.931 1.000 0.818 CB 1.399 13 residues pruned to eliminate duplicates Z: 20 25.782 1.803 0.905 0.950 1.000 0.895 CA 1.188 20 residues pruned to eliminate duplicates Z: 14 23.388 1.922 0.972 0.904 0.923 0.615 CA 1.321 14 residues pruned to eliminate duplicates Z: 13 13.097 1.601 0.664 0.832 0.917 0.667 CA 1.162 13 residues pruned to eliminate duplicates Z: 17 31.681 1.988 1.101 0.898 1.000 0.812 CA 1.356 17 residues pruned to eliminate duplicates Z: 16 29.217 1.950 0.826 0.915 1.000 0.933 CA 1.498 16 residues pruned to eliminate duplicates Z: 7 8.080 1.784 0.603 0.678 1.000 0.833 CB 0.980 7 residues pruned to eliminate duplicates Z: 11 10.116 1.617 0.281 0.900 1.000 1.000 CA 1.103 10 residues pruned to eliminate duplicates Z: 17 27.443 1.917 1.008 0.905 0.938 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 16 19.272 1.756 1.041 0.875 1.000 0.600 CA 1.010 17 residues pruned to eliminate duplicates Z: 12 11.006 1.786 0.478 0.830 0.909 0.636 CA 1.040 Z: 11 12.807 1.832 0.364 0.848 1.000 0.800 CB 1.201 11 residues pruned to eliminate duplicates Z: 12 12.786 1.689 0.444 0.882 1.000 0.818 CB 1.143 10 residues pruned to eliminate duplicates Z: 25 21.293 1.919 0.544 0.886 0.917 0.833 CB 1.155 25 residues pruned to eliminate duplicates Z: 12 14.987 1.787 0.542 0.912 1.000 0.818 CB 1.161 12 residues pruned to eliminate duplicates Z: 12 12.955 1.686 0.378 0.774 1.000 0.636 CB 1.320 Z: 11 20.769 1.998 0.695 0.891 1.000 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 18 18.857 1.904 0.512 0.882 0.882 0.529 CB 1.303 18 residues pruned to eliminate duplicates Z: 23 32.172 2.057 1.039 0.881 1.000 0.636 CB 1.184 23 residues pruned to eliminate duplicates Z: 10 15.344 1.880 0.618 0.908 1.000 0.889 CB 1.194 11 residues pruned to eliminate duplicates Z: 13 24.714 1.848 1.087 0.886 1.000 0.750 CA 1.335 12 residues pruned to eliminate duplicates Z: 11 17.223 1.909 0.780 0.861 0.900 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 24 16.874 1.782 0.698 0.926 0.957 0.696 CB 0.852 24 residues pruned to eliminate duplicates Z: 20 24.720 1.879 0.564 0.909 1.000 0.684 CB 1.369 20 residues pruned to eliminate duplicates Z: 12 8.264 1.664 0.066 0.909 0.909 0.909 CB 1.097 12 residues pruned to eliminate duplicates Z: 26 20.679 1.851 0.554 0.888 0.920 0.520 CB 1.126 26 residues pruned to eliminate duplicates Z: 26 17.329 1.846 0.202 0.891 1.000 1.000 CB 1.123 26 residues pruned to eliminate duplicates Z: 25 16.595 1.846 0.155 0.873 1.000 0.833 CB 1.158 25 residues pruned to eliminate duplicates Z: 31 20.001 1.838 0.719 0.516 0.933 0.533 CB 1.219 28 residues pruned to eliminate duplicates Z: 26 19.290 1.859 0.326 0.885 1.000 0.880 CB 1.130 26 residues pruned to eliminate duplicates Z: 27 17.911 1.818 0.289 0.873 1.000 0.885 CB 1.092 27 residues pruned to eliminate duplicates Z: 20 25.392 1.822 0.907 0.907 1.000 0.632 CA 1.192 20 residues pruned to eliminate duplicates Z: 23 16.737 1.836 0.288 0.903 0.955 0.773 CB 1.127 23 residues pruned to eliminate duplicates Z: 15 16.428 1.711 1.150 0.900 0.857 0.429 CA 0.994 15 residues pruned to eliminate duplicates Z: 22 15.966 1.789 0.516 0.890 0.952 0.810 CB 0.970 22 residues pruned to eliminate duplicates Z: 8 6.928 1.700 0.783 0.605 0.714 0.571 CB 1.094 8 residues pruned to eliminate duplicates Z: 6 4.589 1.591 0.113 0.834 1.000 1.000 CB 0.870 Z: 16 17.441 1.732 0.784 0.777 0.867 0.533 CA 1.317 16 residues pruned to eliminate duplicates Z: 16 17.470 1.679 0.576 0.872 1.000 0.867 CA 1.242 Z: 8 7.445 1.623 0.448 0.891 1.000 0.857 CB 0.860 8 residues pruned to eliminate duplicates Z: 10 10.999 1.655 0.668 0.589 0.889 0.444 CA 1.372 8 residues pruned to eliminate duplicates Z: 14 12.786 1.838 0.917 0.923 0.923 0.462 CB 0.766 14 residues pruned to eliminate duplicates Z: 9 10.292 1.697 0.096 0.915 1.000 1.000 O 1.382 Z: 16 35.772 2.186 1.324 0.893 0.933 0.867 CB 1.398 16 residues pruned to eliminate duplicates Z: 13 16.160 1.722 0.672 0.877 1.000 0.750 CB 1.176 12 residues pruned to eliminate duplicates Z: 7 7.720 1.613 0.177 0.786 1.000 0.833 CA 1.291 7 residues pruned to eliminate duplicates Z: 13 21.335 1.991 0.952 0.852 0.917 0.583 CB 1.279 13 residues pruned to eliminate duplicates Z: 8 12.563 1.755 0.687 0.891 1.000 0.714 CB 1.153 8 residues pruned to eliminate duplicates Z: 20 13.735 1.763 0.343 0.887 1.000 1.000 CB 0.960 20 residues pruned to eliminate duplicates Z: 10 9.065 1.604 0.184 0.806 0.889 0.778 CB 1.370 10 residues pruned to eliminate duplicates Z: 14 7.939 1.514 -0.021 0.838 0.923 0.769 CB 1.202 14 residues pruned to eliminate duplicates Z: 16 21.742 1.837 1.067 0.840 1.000 0.467 CA 1.103 16 residues pruned to eliminate duplicates Z: 10 11.338 1.709 0.891 0.905 1.000 0.778 CB 0.832 10 residues pruned to eliminate duplicates Z: 13 7.938 1.564 0.277 0.821 0.917 0.750 CB 0.947 10 residues pruned to eliminate duplicates Z: 7 7.264 1.825 0.278 0.645 0.833 0.667 CB 1.333 7 residues pruned to eliminate duplicates Z: 12 14.280 1.714 0.648 0.908 1.000 0.909 CB 1.083 12 residues pruned to eliminate duplicates Z: 9 8.538 1.680 0.079 0.908 0.875 0.625 CB 1.352 9 residues pruned to eliminate duplicates Z: 9 13.306 1.682 0.397 0.903 1.000 0.750 CA 1.427 9 residues pruned to eliminate duplicates Z: 7 2.683 1.508 0.682 0.381 0.500 0.500 CB 0.981 7 residues pruned to eliminate duplicates Z: 19 29.819 1.887 1.011 0.906 1.000 0.833 CB 1.317 19 residues pruned to eliminate duplicates Z: 14 21.331 1.870 1.123 0.897 0.923 0.615 CA 1.156 16 residues pruned to eliminate duplicates Z: 15 12.704 1.729 0.865 0.867 0.929 0.500 CB 0.829 8 residues pruned to eliminate duplicates Z: 13 24.091 1.977 0.968 0.913 0.917 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 20 30.592 1.876 1.038 0.930 0.947 0.842 CA 1.355 20 residues pruned to eliminate duplicates Z: 13 18.208 1.835 0.575 0.891 1.000 1.000 CA 1.307 13 residues pruned to eliminate duplicates Z: 15 13.787 1.703 0.455 0.909 0.929 0.714 CA 1.136 15 residues pruned to eliminate duplicates Z: 16 15.673 1.739 0.541 0.791 1.000 0.733 CB 1.170 16 residues pruned to eliminate duplicates Z: 21 35.958 2.114 1.060 0.909 1.000 0.550 CB 1.311 21 residues pruned to eliminate duplicates Z: 17 29.539 1.894 1.087 0.929 1.000 0.938 CB 1.308 17 residues pruned to eliminate duplicates Z: 12 23.913 1.972 1.050 0.913 1.000 0.636 CB 1.263 12 residues pruned to eliminate duplicates Z: 8 6.511 1.635 0.635 0.753 1.000 0.714 CB 0.735 6 residues pruned to eliminate duplicates Z: 12 12.462 1.639 0.540 0.824 1.000 0.636 CB 1.124 12 residues pruned to eliminate duplicates Z: 23 42.922 2.098 1.328 0.938 1.000 0.455 CB 1.302 23 residues pruned to eliminate duplicates Z: 14 23.204 1.836 1.333 0.932 1.000 0.692 CA 1.049 14 residues pruned to eliminate duplicates Z: 12 25.807 1.953 1.062 0.914 1.000 0.818 CB 1.366 13 residues pruned to eliminate duplicates Z: 13 23.606 1.953 0.866 0.885 1.000 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 19 25.987 1.888 0.993 0.883 0.944 0.667 CA 1.246 19 residues pruned to eliminate duplicates Z: 15 11.730 1.699 0.176 0.892 1.000 0.857 CA 1.127 15 residues pruned to eliminate duplicates Z: 10 8.256 1.707 0.298 0.824 0.778 0.778 CB 1.206 10 residues pruned to eliminate duplicates Z: 11 9.370 1.644 0.316 0.823 0.900 0.700 CB 1.150 11 residues pruned to eliminate duplicates Z: 11 11.338 1.637 0.396 0.866 1.000 0.900 CA 1.148 11 residues pruned to eliminate duplicates Z: 13 11.302 1.547 0.677 0.857 0.917 0.833 CB 1.012 12 residues pruned to eliminate duplicates Z: 13 21.734 1.800 0.818 0.890 1.000 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 10 14.948 1.740 0.395 0.886 1.000 0.444 CA 1.480 9 residues pruned to eliminate duplicates Z: 12 23.701 2.029 0.825 0.842 1.000 1.000 CB 1.438 12 residues pruned to eliminate duplicates Z: 24 23.240 1.909 0.881 0.633 0.826 0.609 CA 1.442 24 residues pruned to eliminate duplicates Z: 8 2.352 1.447 0.157 0.384 0.571 0.286 N 1.051 8 residues pruned to eliminate duplicates Z: 15 16.888 1.792 0.836 0.897 0.929 0.786 CB 1.057 15 residues pruned to eliminate duplicates Z: 12 11.352 1.620 0.491 0.790 0.909 0.818 CA 1.208 12 residues pruned to eliminate duplicates Z: 22 15.023 1.806 0.348 0.882 0.952 0.810 CB 1.023 22 residues pruned to eliminate duplicates Z: 11 18.038 1.764 0.827 0.922 1.000 0.700 CB 1.245 13 residues pruned to eliminate duplicates Z: 10 11.031 1.563 0.887 0.762 0.889 0.778 CB 1.112 10 residues pruned to eliminate duplicates Z: 12 13.281 1.680 0.637 0.765 0.909 0.636 CB 1.266 12 residues pruned to eliminate duplicates Z: 17 17.284 1.847 0.615 0.900 1.000 0.875 CA 1.035 17 residues pruned to eliminate duplicates Z: 20 14.804 1.823 0.245 0.893 0.947 0.789 CB 1.134 20 residues pruned to eliminate duplicates Z: 22 16.856 1.746 0.641 0.870 1.000 0.762 CB 0.937 22 residues pruned to eliminate duplicates Z: 13 28.376 2.028 1.298 0.909 0.917 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 11 14.225 1.781 1.419 0.841 0.800 0.400 CB 0.973 11 residues pruned to eliminate duplicates Z: 25 24.748 1.848 0.854 0.926 0.958 0.500 CB 1.078 25 residues pruned to eliminate duplicates Z: 11 21.921 1.879 1.097 0.852 1.000 0.600 CB 1.301 11 residues pruned to eliminate duplicates Z: 25 16.972 1.790 0.299 0.866 0.958 0.875 CB 1.138 25 residues pruned to eliminate duplicates Z: 13 15.162 1.870 0.759 0.826 0.833 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 15 19.817 1.796 0.740 0.829 0.929 0.714 CA 1.374 15 residues pruned to eliminate duplicates Z: 9 14.560 1.818 1.194 0.879 1.000 0.500 CB 0.936 9 residues pruned to eliminate duplicates Z: 10 11.402 1.749 0.758 0.906 0.889 0.778 CB 0.989 10 residues pruned to eliminate duplicates Z: 13 22.035 2.011 0.896 0.851 0.917 0.833 CB 1.348 13 residues pruned to eliminate duplicates Z: 13 14.606 1.688 0.554 0.923 1.000 0.833 CA 1.129 13 residues pruned to eliminate duplicates Z: 20 33.074 1.843 1.221 0.934 0.947 0.474 CA 1.364 20 residues pruned to eliminate duplicates Z: 18 11.321 1.782 0.281 0.850 0.882 0.765 CB 1.010 18 residues pruned to eliminate duplicates Z: 27 22.327 1.829 0.682 0.881 0.962 0.577 CB 1.072 27 residues pruned to eliminate duplicates Z: 43 29.721 1.895 0.979 0.600 0.905 0.571 CA 1.228 36 residues pruned to eliminate duplicates Z: 25 14.600 1.793 0.443 0.909 0.917 0.708 CB 0.892 25 residues pruned to eliminate duplicates Z: 13 3.337 1.412 0.060 0.342 0.750 0.500 CA 1.019 Z: 25 29.329 2.003 0.744 0.903 0.917 0.625 CB 1.333 25 residues pruned to eliminate duplicates Z: 11 7.986 1.567 0.483 0.760 0.900 0.800 CA 0.959 10 residues pruned to eliminate duplicates Z: 13 19.802 1.690 1.175 0.819 1.000 0.500 CB 1.179 13 residues pruned to eliminate duplicates Z: 13 18.340 1.727 0.864 0.864 1.000 0.917 CB 1.206 12 residues pruned to eliminate duplicates Z: 12 10.535 1.668 0.249 0.826 0.909 0.636 CB 1.265 12 residues pruned to eliminate duplicates Z: 17 16.748 1.653 0.518 0.862 1.000 0.750 CA 1.225 17 residues pruned to eliminate duplicates Z: 13 24.720 2.011 1.065 0.899 0.917 0.833 CB 1.340 13 residues pruned to eliminate duplicates Z: 24 10.365 1.771 0.789 0.322 0.783 0.565 CB 1.061 24 residues pruned to eliminate duplicates Z: 22 15.881 1.667 0.841 0.543 0.905 0.667 CB 1.196 22 residues pruned to eliminate duplicates Z: 11 18.067 1.862 0.759 0.932 1.000 0.900 CB 1.218 12 residues pruned to eliminate duplicates Z: 43 36.292 1.874 0.888 0.766 0.952 0.714 CA 1.313 46 residues pruned to eliminate duplicates Z: 7 2.272 1.500 0.250 0.245 1.000 0.500 CA 0.664 Z: 11 13.952 1.644 0.807 0.909 1.000 0.900 CB 1.054 11 residues pruned to eliminate duplicates Z: 14 4.209 1.408 0.068 0.453 0.769 0.385 CB 1.059 Z: 17 9.145 1.651 0.289 0.888 0.875 0.688 CB 0.884 17 residues pruned to eliminate duplicates Z: 13 10.162 1.724 0.795 0.842 0.917 0.500 CB 0.770 13 residues pruned to eliminate duplicates Z: 27 26.243 1.817 0.853 0.878 0.962 0.577 CB 1.154 27 residues pruned to eliminate duplicates Z: 11 15.475 1.725 0.847 0.906 1.000 0.700 CB 1.093 11 residues pruned to eliminate duplicates Z: 20 19.399 1.889 0.294 0.884 1.000 0.789 CB 1.316 20 residues pruned to eliminate duplicates Z: 13 14.816 1.575 0.660 0.868 1.000 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 20 12.806 1.780 0.377 0.859 0.947 0.684 CB 0.931 20 residues pruned to eliminate duplicates Z: 9 5.013 1.636 0.508 0.698 0.875 0.625 CB 0.686 9 residues pruned to eliminate duplicates Z: 16 17.020 1.732 1.398 0.824 0.867 0.600 CB 0.922 16 residues pruned to eliminate duplicates Z: 17 13.942 1.991 0.704 0.438 0.875 0.688 CA 1.252 17 residues pruned to eliminate duplicates Z: 17 7.183 1.758 0.470 0.358 0.688 0.500 CB 1.179 17 residues pruned to eliminate duplicates Z: 11 9.789 1.534 0.408 0.835 1.000 0.700 CB 1.074 11 residues pruned to eliminate duplicates Z: 11 11.055 1.686 0.337 0.892 1.000 0.800 CB 1.114 11 residues pruned to eliminate duplicates Z: 9 4.621 1.547 0.324 0.317 0.750 0.500 O 1.302 7 1.739 1.820 -0.025 0.083 0.667 0.333 CA 1.029 ? Z: 12 12.855 1.805 0.521 0.902 1.000 0.909 CA 1.007 12 residues pruned to eliminate duplicates Z: 6 4.464 1.748 -0.103 0.877 1.000 0.800 CB 0.924 6 residues pruned to eliminate duplicates Z: 21 39.211 2.051 1.447 0.880 1.000 0.400 CB 1.266 21 residues pruned to eliminate duplicates 8 1.527 1.113 0.104 0.307 0.857 0.571 C 0.679 ? Z: 12 14.894 1.909 0.399 0.909 0.909 0.818 CA 1.312 12 residues pruned to eliminate duplicates Z: 26 27.830 1.853 1.025 0.925 0.920 0.360 CB 1.132 26 residues pruned to eliminate duplicates Z: 24 11.425 1.702 0.474 0.688 0.870 0.391 CB 0.919 20 residues pruned to eliminate duplicates Z: 13 8.144 1.670 0.475 0.418 0.833 0.583 CA 1.247 13 residues pruned to eliminate duplicates Z: 10 6.652 1.515 0.750 0.755 0.889 0.778 CB 0.749 9 residues pruned to eliminate duplicates Z: 16 9.687 1.642 0.553 0.703 0.867 0.600 CB 0.941 16 residues pruned to eliminate duplicates Z: 8 3.525 1.369 0.643 0.432 0.714 0.571 N 0.890 Z: 11 15.330 1.677 0.725 0.903 1.000 0.800 CB 1.194 11 residues pruned to eliminate duplicates Z: 11 9.680 1.592 0.312 0.847 1.000 0.700 CB 1.087 11 residues pruned to eliminate duplicates Z: 16 16.889 1.721 0.535 0.866 1.000 0.867 CA 1.209 16 residues pruned to eliminate duplicates Z: 6 3.346 1.444 0.353 0.605 0.800 0.600 CB 0.866 Z: 6 4.411 1.655 0.306 0.643 0.800 0.800 CB 0.999 Z: 15 10.258 1.546 0.179 0.868 1.000 0.643 CB 1.099 15 residues pruned to eliminate duplicates Z: 6 6.740 1.508 0.774 0.581 0.800 0.800 CA 1.303 6 residues pruned to eliminate duplicates Z: 10 13.868 1.489 1.217 0.900 1.000 0.667 CA 1.000 10 residues pruned to eliminate duplicates Z: 15 16.527 1.669 0.848 0.872 0.929 0.643 CA 1.124 15 residues pruned to eliminate duplicates Z: 14 15.337 1.696 0.637 0.846 1.000 0.769 CB 1.138 14 residues pruned to eliminate duplicates Z: 9 3.948 1.250 0.387 0.451 0.875 0.500 C 0.968 Z: 11 12.552 1.690 0.420 0.833 1.000 0.800 CB 1.242 11 residues pruned to eliminate duplicates Z: 12 13.037 1.584 1.025 0.847 1.000 0.909 CB 0.910 12 residues pruned to eliminate duplicates Z: 7 9.047 1.724 0.322 0.899 1.000 1.000 CB 1.159 7 residues pruned to eliminate duplicates Z: 32 17.175 1.718 0.539 0.651 0.903 0.677 CA 1.123 34 residues pruned to eliminate duplicates Z: 16 18.412 1.856 0.548 0.812 0.933 0.733 CA 1.351 16 residues pruned to eliminate duplicates Z: 6 5.691 1.567 0.507 0.594 0.800 0.600 CB 1.231 12 residues pruned to eliminate duplicates Z: 15 18.051 1.738 1.228 0.870 0.929 0.714 CB 0.980 15 residues pruned to eliminate duplicates Z: 12 10.190 1.667 0.694 0.854 0.909 0.727 CA 0.884 12 residues pruned to eliminate duplicates Z: 9 15.780 1.933 0.904 0.886 1.000 0.875 CB 1.094 9 residues pruned to eliminate duplicates Z: 12 19.119 1.942 0.764 0.897 0.909 0.909 CA 1.325 11 residues pruned to eliminate duplicates Z: 7 4.821 1.480 0.419 0.589 0.833 0.667 CB 1.033 7 residues pruned to eliminate duplicates Z: 11 9.911 1.536 0.514 0.882 1.000 0.800 CA 0.976 11 residues pruned to eliminate duplicates Z: 6 2.473 1.176 0.282 0.553 0.800 0.600 N 0.871 Z: 6 4.485 1.578 0.252 0.493 0.800 0.800 O 1.277 6 residues pruned to eliminate duplicates Z: 47 31.004 1.851 0.929 0.562 0.913 0.609 CA 1.320 37 residues pruned to eliminate duplicates Z: 25 26.363 1.887 0.717 0.915 1.000 0.708 CB 1.174 26 residues pruned to eliminate duplicates Z: 11 10.755 1.650 0.830 0.878 0.800 0.600 CB 1.022 11 residues pruned to eliminate duplicates Z: 11 11.206 1.592 0.345 0.840 1.000 0.700 CB 1.234 11 residues pruned to eliminate duplicates Z: 6 7.286 1.742 0.290 0.841 1.000 0.600 CA 1.081 6 residues pruned to eliminate duplicates Z: 11 7.521 1.538 0.299 0.760 0.900 0.700 CB 1.050 11 residues pruned to eliminate duplicates Z: 27 21.486 1.821 0.565 0.878 0.923 0.731 CB 1.163 27 residues pruned to eliminate duplicates Z: 18 15.699 1.755 0.576 0.799 0.882 0.706 CA 1.201 18 residues pruned to eliminate duplicates Z: 21 11.176 1.649 0.365 0.723 0.950 0.650 CB 0.955 20 residues pruned to eliminate duplicates Z: 10 3.684 1.556 0.468 0.269 0.778 0.556 CB 0.899 10 residues pruned to eliminate duplicates Z: 11 9.438 1.681 0.154 0.870 1.000 0.900 CB 1.123 11 residues pruned to eliminate duplicates Z: 26 23.633 1.840 0.949 0.645 0.880 0.640 CA 1.308 22 residues pruned to eliminate duplicates Z: 13 13.441 1.540 0.826 0.870 0.917 0.667 CB 1.098 13 residues pruned to eliminate duplicates Z: 7 2.347 1.339 0.369 0.526 0.667 0.333 CB 0.764 Z: 20 12.975 1.791 0.199 0.866 1.000 0.684 CB 1.014 20 residues pruned to eliminate duplicates Z: 16 18.629 1.703 0.749 0.874 0.933 0.600 CA 1.259 17 residues pruned to eliminate duplicates 7 1.991 1.197 0.475 0.701 1.000 0.500 CB 0.383 ? Z: 7 5.351 1.632 0.718 0.851 0.833 0.833 CB 0.692 7 residues pruned to eliminate duplicates Z: 10 3.546 1.398 0.347 0.358 0.778 0.556 CB 0.940 10 residues pruned to eliminate duplicates Z: 9 2.429 1.481 0.131 0.398 0.875 0.875 CA 0.653 Z: 9 6.735 1.776 0.543 0.294 1.000 0.500 CA 1.095 9 residues pruned to eliminate duplicates Z: 17 29.718 1.927 0.970 0.942 1.000 1.000 CA 1.358 17 residues pruned to eliminate duplicates Z: 24 15.986 1.752 0.438 0.891 0.957 0.696 CB 0.994 24 residues pruned to eliminate duplicates Z: 11 14.017 1.753 0.522 0.919 1.000 0.800 CB 1.171 11 residues pruned to eliminate duplicates Z: 21 12.005 1.709 0.816 0.517 0.850 0.700 CB 1.001 21 residues pruned to eliminate duplicates Z: 21 16.710 1.835 0.538 0.901 1.000 0.650 CB 0.945 21 residues pruned to eliminate duplicates Z: 16 9.908 1.677 0.544 0.601 0.933 0.600 CB 0.961 16 residues pruned to eliminate duplicates Z: 11 20.439 1.867 0.942 0.896 1.000 0.700 CB 1.277 11 residues pruned to eliminate duplicates Z: 6 3.766 1.479 0.032 0.839 1.000 0.800 CB 0.824 Z: 6 4.004 1.893 0.388 0.439 0.800 0.400 CB 0.907 6 residues pruned to eliminate duplicates Z: 9 13.133 1.812 0.873 0.493 1.000 0.500 CA 1.378 9 residues pruned to eliminate duplicates Z: 10 10.837 1.606 0.456 0.903 1.000 0.556 CB 1.101 10 residues pruned to eliminate duplicates Z: 9 9.869 1.674 0.289 0.862 1.000 1.000 CA 1.187 9 residues pruned to eliminate duplicates Z: 11 14.668 1.679 0.802 0.864 1.000 0.700 CB 1.124 11 residues pruned to eliminate duplicates Z: 24 25.042 1.932 0.697 0.906 0.957 0.609 CB 1.184 24 residues pruned to eliminate duplicates Z: 20 15.317 1.778 0.412 0.847 0.895 0.632 CB 1.161 20 residues pruned to eliminate duplicates Z: 11 5.239 1.685 0.042 0.460 0.900 0.500 CA 1.091 11 residues pruned to eliminate duplicates Z: 13 18.306 1.747 0.881 0.860 1.000 0.500 CA 1.183 13 residues pruned to eliminate duplicates Z: 19 14.553 1.737 0.291 0.928 1.000 0.944 CB 1.071 19 residues pruned to eliminate duplicates Z: 20 13.158 1.740 0.573 0.587 0.895 0.474 CB 1.134 24 residues pruned to eliminate duplicates Z: 14 23.389 1.867 1.148 0.920 1.000 0.846 CA 1.139 14 residues pruned to eliminate duplicates Z: 12 9.648 1.631 0.758 0.485 0.818 0.545 CB 1.258 12 residues pruned to eliminate duplicates Z: 9 10.730 1.754 0.749 0.568 0.875 0.625 CB 1.324 9 residues pruned to eliminate duplicates Z: 7 6.186 1.506 0.484 0.727 0.833 0.667 CA 1.105 7 residues pruned to eliminate duplicates 6 1.438 1.467 -0.010 0.192 0.800 0.600 CB 0.799 ? Z: 10 14.779 1.709 1.014 0.881 1.000 0.667 CB 1.036 10 residues pruned to eliminate duplicates Z: 18 29.005 1.853 1.022 0.901 1.000 0.882 CB 1.340 18 residues pruned to eliminate duplicates Z: 11 18.780 1.684 1.143 0.886 1.000 0.700 CB 1.187 11 residues pruned to eliminate duplicates Z: 13 7.682 1.735 0.614 0.361 0.833 0.417 CB 1.104 13 residues pruned to eliminate duplicates Z: 11 8.058 1.577 0.281 0.700 1.000 0.500 CB 1.051 11 residues pruned to eliminate duplicates Z: 20 16.748 1.755 0.504 0.905 1.000 0.895 CB 1.036 20 residues pruned to eliminate duplicates Z: 6 3.576 1.483 0.127 0.601 1.000 0.600 CA 0.869 5 residues pruned to eliminate duplicates Z: 24 24.528 1.947 0.816 0.920 0.913 0.696 CB 1.116 24 residues pruned to eliminate duplicates Z: 20 21.936 1.838 0.758 0.885 0.895 0.789 CB 1.257 20 residues pruned to eliminate duplicates Z: 7 2.487 1.321 0.233 0.532 0.833 0.500 CB 0.725 Z: 9 3.599 1.637 0.047 0.276 0.750 0.625 N 1.276 Z: 16 21.109 1.649 0.932 0.896 1.000 0.800 CA 1.226 16 residues pruned to eliminate duplicates Z: 6 4.606 1.493 1.179 0.624 1.000 0.800 CB 0.564 6 residues pruned to eliminate duplicates Z: 11 12.991 1.667 0.903 0.885 1.000 0.800 CB 0.936 11 residues pruned to eliminate duplicates Z: 26 13.776 1.718 0.390 0.755 0.880 0.680 CB 1.044 29 residues pruned to eliminate duplicates 7 1.546 1.224 0.234 0.309 1.000 0.500 CB 0.516 ? Z: 14 10.335 1.581 0.694 0.572 0.846 0.231 CA 1.180 14 residues pruned to eliminate duplicates 337 residues left after pruning, divided into chains as follows: A: 11 B: 10 C: 26 D: 21 E: 43 F: 39 G: 12 H: 46 I: 14 J: 6 K: 18 L: 13 M: 28 N: 28 O: 22 CC for partial structure against native data = 33.42 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.481, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.577, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.681, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.695, Connect. = 0.793 for dens.mod. cycle 4 = 0.300, Contrast = 0.708, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.720, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.722, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.725, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.726, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3035 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 561 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 27.021 2.300 0.662 0.764 0.923 0.692 CA 1.681 B: 16 24.310 2.079 0.651 0.789 1.000 0.600 CA 1.418 15 residues pruned to eliminate duplicates C: 14 26.622 2.187 0.726 0.878 0.923 0.846 CB 1.538 D: 23 54.728 2.363 1.245 0.886 0.955 0.591 CA 1.662 E: 25 30.707 2.115 0.558 0.921 0.958 0.708 CB 1.397 F: 22 55.935 2.364 1.149 0.916 1.000 0.857 CA 1.696 22 residues pruned to eliminate duplicates G: 23 49.994 2.345 1.088 0.925 0.955 0.591 CB 1.600 23 residues pruned to eliminate duplicates H: 20 47.064 2.127 1.368 0.908 1.000 0.632 CA 1.523 I: 26 30.186 2.093 0.511 0.910 0.960 0.840 CB 1.411 26 residues pruned to eliminate duplicates J: 18 46.827 2.249 1.346 0.927 0.941 0.588 CA 1.602 18 residues pruned to eliminate duplicates K: 18 43.764 2.244 1.233 0.886 0.941 0.882 CA 1.624 18 residues pruned to eliminate duplicates L: 20 42.401 2.426 1.290 0.861 0.737 0.526 CA 1.746 20 residues pruned to eliminate duplicates M: 25 31.411 2.119 0.500 0.913 1.000 0.833 CB 1.428 25 residues pruned to eliminate duplicates N: 14 21.653 2.209 0.429 0.852 0.923 0.923 CB 1.525 14 residues pruned to eliminate duplicates O: 20 44.802 2.144 1.382 0.916 1.000 0.474 CA 1.422 20 residues pruned to eliminate duplicates P: 26 32.025 2.107 0.597 0.917 0.960 0.760 CB 1.399 25 residues pruned to eliminate duplicates Q: 21 33.944 2.204 0.567 0.941 1.000 0.900 CB 1.525 25 residues pruned to eliminate duplicates R: 22 70.188 2.459 1.365 0.941 1.000 0.714 CA 1.828 23 residues pruned to eliminate duplicates S: 16 20.125 1.908 0.661 0.862 1.000 0.867 CB 1.204 T: 15 28.822 2.079 0.949 0.892 1.000 0.643 CB 1.365 14 residues pruned to eliminate duplicates U: 24 49.080 2.289 1.064 0.904 0.957 0.783 CA 1.613 24 residues pruned to eliminate duplicates V: 16 22.807 2.084 0.665 0.823 0.867 0.733 CB 1.480 16 residues pruned to eliminate duplicates W: 23 42.092 2.273 0.912 0.865 0.909 0.409 CB 1.664 23 residues pruned to eliminate duplicates X: 20 40.275 2.144 1.050 0.913 1.000 0.632 CA 1.487 20 residues pruned to eliminate duplicates Y: 25 39.332 2.177 0.915 0.885 0.958 0.792 CA 1.451 23 residues pruned to eliminate duplicates Z: 25 29.655 2.134 0.366 0.931 1.000 0.917 CB 1.451 25 residues pruned to eliminate duplicates Z: 19 40.621 2.141 1.234 0.897 0.944 0.722 CA 1.517 19 residues pruned to eliminate duplicates Z: 24 60.261 2.374 1.263 0.905 1.000 0.478 CB 1.664 24 residues pruned to eliminate duplicates Z: 28 37.245 2.151 0.764 0.825 0.926 0.852 CB 1.540 Z: 9 12.325 1.920 0.538 0.605 0.875 0.500 CA 1.526 Z: 13 28.103 2.350 0.805 0.917 0.917 0.667 CB 1.472 14 residues pruned to eliminate duplicates Z: 15 46.807 2.220 1.260 0.928 1.000 0.786 CB 1.746 15 residues pruned to eliminate duplicates Z: 26 29.965 2.125 0.424 0.931 0.960 0.840 CB 1.441 22 residues pruned to eliminate duplicates Z: 22 28.505 2.121 0.503 0.925 0.952 0.857 CB 1.438 22 residues pruned to eliminate duplicates Z: 19 39.916 2.127 1.094 0.892 1.000 0.667 CA 1.517 18 residues pruned to eliminate duplicates Z: 17 44.589 2.277 0.995 0.928 1.000 1.000 CA 1.719 17 residues pruned to eliminate duplicates Z: 23 57.304 2.366 1.308 0.891 0.955 0.318 CB 1.685 23 residues pruned to eliminate duplicates Z: 16 40.819 2.329 0.804 0.930 1.000 0.933 CA 1.754 16 residues pruned to eliminate duplicates Z: 24 42.541 2.241 0.800 0.930 1.000 0.739 CB 1.538 24 residues pruned to eliminate duplicates Z: 18 45.001 2.245 1.119 0.909 1.000 0.941 CA 1.628 19 residues pruned to eliminate duplicates Z: 14 30.786 2.308 0.649 0.863 1.000 0.846 CA 1.646 14 residues pruned to eliminate duplicates Z: 16 24.489 2.044 0.847 0.840 0.933 0.733 CA 1.339 16 residues pruned to eliminate duplicates Z: 25 45.589 2.278 0.811 0.923 1.000 0.708 CA 1.585 25 residues pruned to eliminate duplicates Z: 13 23.414 1.891 0.828 0.919 1.000 0.833 CB 1.378 Z: 21 37.603 2.049 1.272 0.889 1.000 0.750 CA 1.300 21 residues pruned to eliminate duplicates Z: 19 39.628 2.186 0.971 0.808 1.000 0.778 CB 1.657 19 residues pruned to eliminate duplicates Z: 18 47.322 2.163 1.354 0.906 1.000 0.588 CA 1.603 18 residues pruned to eliminate duplicates Z: 25 26.667 2.123 0.282 0.915 1.000 0.917 CB 1.413 25 residues pruned to eliminate duplicates Z: 19 34.498 2.161 0.883 0.949 1.000 0.778 CA 1.379 Z: 15 23.189 2.102 1.024 0.902 1.000 0.857 CA 1.039 Z: 14 30.078 2.229 1.091 0.898 0.923 0.538 CB 1.387 15 residues pruned to eliminate duplicates Z: 17 49.209 2.314 1.083 0.931 1.000 0.812 CA 1.784 17 residues pruned to eliminate duplicates Z: 21 35.002 2.111 0.875 0.887 1.000 0.500 CB 1.426 19 residues pruned to eliminate duplicates Z: 17 45.663 2.341 1.088 0.911 1.000 0.625 CB 1.655 17 residues pruned to eliminate duplicates Z: 13 22.994 2.128 0.347 0.923 1.000 0.833 CB 1.627 13 residues pruned to eliminate duplicates Z: 19 39.484 2.194 1.043 0.903 1.000 0.667 CA 1.480 19 residues pruned to eliminate duplicates Z: 18 34.691 2.194 0.934 0.888 0.941 0.941 CA 1.517 18 residues pruned to eliminate duplicates Z: 12 24.231 2.037 0.729 0.875 1.000 0.818 CA 1.508 Z: 23 47.241 2.316 1.114 0.882 0.909 0.500 CB 1.638 23 residues pruned to eliminate duplicates Z: 17 25.411 1.923 1.073 0.856 0.938 0.688 CA 1.253 16 residues pruned to eliminate duplicates Z: 23 64.834 2.396 1.428 0.923 1.000 0.500 CB 1.670 22 residues pruned to eliminate duplicates Z: 22 33.299 2.316 0.884 0.626 0.857 0.571 CB 1.726 13 residues pruned to eliminate duplicates Z: 23 49.938 2.360 0.993 0.900 0.955 0.727 CA 1.694 23 residues pruned to eliminate duplicates Z: 11 25.791 2.150 0.984 0.928 1.000 0.700 CB 1.339 12 residues pruned to eliminate duplicates Z: 15 25.330 2.073 0.948 0.871 0.929 0.857 CB 1.317 15 residues pruned to eliminate duplicates Z: 16 24.807 2.068 0.960 0.889 0.933 0.800 CA 1.219 15 residues pruned to eliminate duplicates Z: 20 38.059 2.129 1.021 0.898 1.000 0.632 CA 1.452 20 residues pruned to eliminate duplicates Z: 20 38.749 2.125 1.134 0.848 1.000 0.474 CA 1.455 20 residues pruned to eliminate duplicates Z: 15 23.441 2.043 0.771 0.832 0.929 0.500 CB 1.400 15 residues pruned to eliminate duplicates Z: 16 27.912 2.017 1.311 0.718 0.867 0.600 CB 1.464 16 residues pruned to eliminate duplicates Z: 26 29.134 2.044 0.397 0.921 1.000 0.800 CB 1.437 26 residues pruned to eliminate duplicates Z: 13 24.974 1.976 0.695 0.908 1.000 0.833 CB 1.528 13 residues pruned to eliminate duplicates Z: 57 50.521 2.148 0.826 0.643 0.946 0.768 CA 1.591 52 residues pruned to eliminate duplicates Z: 13 14.841 1.969 0.471 0.789 0.917 0.750 CB 1.252 14 residues pruned to eliminate duplicates Z: 16 25.213 2.101 0.871 0.895 0.933 0.733 CA 1.272 16 residues pruned to eliminate duplicates Z: 20 24.735 2.175 0.215 0.921 1.000 0.895 CA 1.510 20 residues pruned to eliminate duplicates Z: 26 27.379 2.024 0.577 0.888 0.960 0.760 CB 1.287 Z: 27 29.367 2.018 0.693 0.890 1.000 0.731 CB 1.213 26 residues pruned to eliminate duplicates Z: 25 24.764 2.063 0.578 0.906 0.958 0.667 CB 1.153 25 residues pruned to eliminate duplicates Z: 12 14.330 2.113 0.478 0.870 0.909 0.818 CB 1.111 12 residues pruned to eliminate duplicates Z: 18 44.515 2.239 1.296 0.902 0.941 0.647 CA 1.592 18 residues pruned to eliminate duplicates Z: 15 14.419 1.708 0.939 0.686 0.857 0.714 CA 1.144 15 residues pruned to eliminate duplicates Z: 14 30.283 2.212 0.999 0.870 0.923 0.538 CB 1.503 14 residues pruned to eliminate duplicates Z: 18 42.790 2.283 1.278 0.917 0.882 0.294 CA 1.596 18 residues pruned to eliminate duplicates Z: 16 27.150 2.076 1.114 0.839 0.867 0.600 CA 1.376 16 residues pruned to eliminate duplicates Z: 16 34.122 2.066 1.363 0.916 0.933 0.800 CA 1.365 15 residues pruned to eliminate duplicates Z: 25 40.952 2.299 0.763 0.877 0.958 0.750 CA 1.563 25 residues pruned to eliminate duplicates Z: 16 20.529 1.963 0.423 0.820 1.000 0.733 CA 1.438 Z: 13 18.475 1.972 0.493 0.901 1.000 0.833 CB 1.293 Z: 13 28.155 2.218 1.109 0.883 0.917 0.833 CB 1.371 13 residues pruned to eliminate duplicates Z: 15 26.886 2.125 0.806 0.782 0.929 0.714 CA 1.573 15 residues pruned to eliminate duplicates Z: 12 12.657 1.862 0.086 0.853 1.000 0.636 CB 1.394 Z: 17 41.535 2.246 1.008 0.921 0.938 0.625 CB 1.728 17 residues pruned to eliminate duplicates Z: 19 45.482 2.195 1.207 0.889 1.000 0.944 CB 1.592 19 residues pruned to eliminate duplicates Z: 15 20.394 2.028 0.275 0.913 1.000 1.000 CB 1.492 15 residues pruned to eliminate duplicates Z: 13 16.803 1.842 0.422 0.827 1.000 0.750 CB 1.396 Z: 26 24.107 1.978 0.393 0.906 0.960 0.720 CB 1.296 26 residues pruned to eliminate duplicates Z: 15 30.109 2.125 1.132 0.805 1.000 0.500 CB 1.361 15 residues pruned to eliminate duplicates Z: 14 12.141 1.852 0.142 0.860 0.923 0.846 CB 1.268 14 residues pruned to eliminate duplicates Z: 26 33.479 2.133 0.631 0.912 0.960 0.720 CB 1.420 26 residues pruned to eliminate duplicates Z: 12 19.880 1.899 0.644 0.832 1.000 0.818 CB 1.442 13 residues pruned to eliminate duplicates Z: 10 9.164 1.788 0.340 0.464 1.000 0.333 CB 1.322 10 residues pruned to eliminate duplicates Z: 10 17.346 1.919 0.409 0.889 1.000 0.889 CB 1.539 11 residues pruned to eliminate duplicates Z: 22 32.988 2.016 1.111 0.887 0.905 0.381 CB 1.348 21 residues pruned to eliminate duplicates Z: 11 20.457 2.110 0.560 0.922 1.000 0.900 CA 1.382 12 residues pruned to eliminate duplicates Z: 13 17.900 1.830 0.423 0.813 1.000 0.833 CB 1.511 13 residues pruned to eliminate duplicates Z: 17 40.481 2.289 0.859 0.926 1.000 1.000 CB 1.668 17 residues pruned to eliminate duplicates Z: 12 16.054 1.910 0.451 0.831 0.909 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 26 27.177 2.055 0.256 0.927 1.000 0.960 CA 1.475 26 residues pruned to eliminate duplicates Z: 26 19.100 1.994 0.217 0.877 1.000 0.640 CB 1.144 26 residues pruned to eliminate duplicates Z: 16 25.406 1.959 0.726 0.888 0.933 0.533 CA 1.498 16 residues pruned to eliminate duplicates Z: 17 40.409 2.229 0.953 0.915 1.000 0.750 CB 1.640 17 residues pruned to eliminate duplicates Z: 21 31.235 2.094 0.827 0.883 0.950 0.750 CA 1.390 21 residues pruned to eliminate duplicates Z: 17 18.087 1.884 0.295 0.881 0.938 0.875 CA 1.432 17 residues pruned to eliminate duplicates Z: 17 46.329 2.324 1.139 0.914 1.000 0.875 CA 1.647 17 residues pruned to eliminate duplicates Z: 15 28.777 2.001 0.920 0.891 0.929 0.786 CA 1.550 16 residues pruned to eliminate duplicates Z: 20 29.963 2.084 0.705 0.910 1.000 0.789 CA 1.372 20 residues pruned to eliminate duplicates Z: 15 35.689 2.196 1.112 0.869 0.929 0.643 CB 1.618 15 residues pruned to eliminate duplicates Z: 26 35.718 2.049 0.829 0.911 1.000 0.680 CB 1.351 27 residues pruned to eliminate duplicates Z: 9 18.738 1.926 0.535 0.926 1.000 1.000 CB 1.572 9 residues pruned to eliminate duplicates Z: 12 18.524 1.947 0.418 0.893 1.000 0.818 CB 1.452 12 residues pruned to eliminate duplicates Z: 11 22.261 2.154 0.696 0.916 1.000 0.900 CB 1.360 11 residues pruned to eliminate duplicates Z: 18 39.872 2.208 0.951 0.876 1.000 0.588 CA 1.631 18 residues pruned to eliminate duplicates Z: 14 18.630 1.840 0.685 0.780 1.000 0.769 CA 1.302 13 residues pruned to eliminate duplicates Z: 15 22.405 1.949 0.698 0.818 0.929 0.714 CB 1.479 12 residues pruned to eliminate duplicates Z: 30 28.165 2.084 0.921 0.533 0.828 0.517 CB 1.528 24 residues pruned to eliminate duplicates Z: 20 31.873 2.103 0.813 0.927 1.000 0.632 CA 1.344 20 residues pruned to eliminate duplicates Z: 15 27.458 2.173 1.126 0.864 0.857 0.714 CA 1.359 15 residues pruned to eliminate duplicates Z: 12 17.805 1.863 0.577 0.901 1.000 1.000 CA 1.304 12 residues pruned to eliminate duplicates Z: 14 14.244 1.857 0.587 0.764 0.846 0.769 CA 1.254 14 residues pruned to eliminate duplicates Z: 25 21.742 2.007 0.245 0.912 1.000 0.875 CB 1.258 25 residues pruned to eliminate duplicates Z: 17 43.388 2.260 1.182 0.882 1.000 0.750 CA 1.592 17 residues pruned to eliminate duplicates Z: 15 29.407 2.117 1.129 0.921 0.857 0.786 CB 1.432 14 residues pruned to eliminate duplicates Z: 15 30.751 2.105 1.122 0.920 1.000 0.643 CA 1.296 15 residues pruned to eliminate duplicates Z: 15 28.746 2.130 1.013 0.904 0.929 0.571 CA 1.375 15 residues pruned to eliminate duplicates Z: 20 27.413 2.193 0.311 0.914 0.947 0.789 CA 1.634 20 residues pruned to eliminate duplicates Z: 17 34.474 2.279 0.789 0.895 1.000 0.875 CA 1.516 17 residues pruned to eliminate duplicates Z: 15 33.201 2.117 1.152 0.873 1.000 0.429 CB 1.418 17 residues pruned to eliminate duplicates Z: 15 20.316 2.002 0.563 0.878 0.929 0.786 CB 1.357 15 residues pruned to eliminate duplicates Z: 16 20.587 1.946 0.393 0.875 1.000 0.933 CA 1.426 16 residues pruned to eliminate duplicates Z: 13 16.418 1.924 0.547 0.904 0.917 0.917 CB 1.238 13 residues pruned to eliminate duplicates Z: 15 30.096 2.174 0.872 0.851 0.929 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 13 21.045 2.043 0.635 0.862 0.917 0.833 CA 1.456 13 residues pruned to eliminate duplicates Z: 7 2.505 1.664 0.314 0.232 0.500 0.167 CB 1.278 Z: 20 38.724 2.130 0.978 0.920 1.000 0.579 CA 1.486 22 residues pruned to eliminate duplicates Z: 11 19.151 2.101 0.523 0.899 1.000 0.800 CB 1.353 11 residues pruned to eliminate duplicates Z: 21 28.486 2.087 0.696 0.929 0.950 0.800 CB 1.325 21 residues pruned to eliminate duplicates Z: 12 24.174 2.057 0.578 0.895 1.000 1.000 CB 1.609 12 residues pruned to eliminate duplicates Z: 17 24.315 1.989 1.128 0.846 0.875 0.688 CA 1.219 17 residues pruned to eliminate duplicates Z: 15 19.383 2.018 0.360 0.910 0.929 0.857 CB 1.442 15 residues pruned to eliminate duplicates Z: 9 16.888 1.915 0.482 0.897 1.000 0.875 CB 1.506 9 residues pruned to eliminate duplicates Z: 15 29.103 2.193 0.971 0.862 0.929 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 17 21.988 1.891 0.651 0.854 0.938 0.812 CA 1.386 17 residues pruned to eliminate duplicates Z: 14 14.665 1.790 0.519 0.855 0.846 0.615 CB 1.305 14 residues pruned to eliminate duplicates Z: 25 27.887 2.079 0.648 0.907 0.917 0.750 CB 1.289 25 residues pruned to eliminate duplicates Z: 27 28.779 2.034 0.677 0.892 0.962 0.808 CB 1.236 26 residues pruned to eliminate duplicates Z: 26 27.142 2.058 0.399 0.902 1.000 0.840 CB 1.345 26 residues pruned to eliminate duplicates Z: 18 32.303 2.072 1.045 0.924 1.000 0.765 CB 1.298 18 residues pruned to eliminate duplicates Z: 20 28.510 2.121 0.645 0.897 1.000 0.947 CA 1.342 20 residues pruned to eliminate duplicates Z: 14 17.186 1.861 0.585 0.892 0.923 0.769 CB 1.257 14 residues pruned to eliminate duplicates Z: 20 27.976 2.108 0.351 0.933 1.000 0.895 CA 1.573 20 residues pruned to eliminate duplicates Z: 15 20.387 1.993 0.347 0.894 1.000 0.929 CA 1.456 15 residues pruned to eliminate duplicates Z: 11 19.861 1.964 0.678 0.886 1.000 1.000 CB 1.376 11 residues pruned to eliminate duplicates Z: 25 26.488 2.072 0.410 0.909 0.958 0.875 CB 1.370 25 residues pruned to eliminate duplicates Z: 11 13.726 1.801 0.389 0.825 1.000 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 25 30.382 2.085 0.855 0.925 0.958 0.708 CB 1.174 25 residues pruned to eliminate duplicates Z: 11 16.325 1.979 0.652 0.883 0.800 0.700 CB 1.428 11 residues pruned to eliminate duplicates Z: 12 19.639 2.070 0.817 0.854 0.909 0.909 CA 1.278 12 residues pruned to eliminate duplicates Z: 25 29.660 2.080 0.628 0.928 0.958 0.792 CB 1.306 25 residues pruned to eliminate duplicates Z: 10 20.781 2.237 0.405 0.925 1.000 0.889 CA 1.547 10 residues pruned to eliminate duplicates Z: 18 42.361 2.287 1.242 0.888 0.941 0.765 CA 1.534 18 residues pruned to eliminate duplicates Z: 14 6.306 1.724 0.118 0.392 0.846 0.538 CB 1.202 Z: 13 35.631 2.367 0.985 0.935 1.000 0.583 CB 1.525 13 residues pruned to eliminate duplicates Z: 15 29.972 2.097 0.719 0.929 1.000 0.857 CB 1.556 15 residues pruned to eliminate duplicates Z: 12 21.115 1.896 0.808 0.878 1.000 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 26 30.347 2.086 0.488 0.918 0.960 0.680 CB 1.437 26 residues pruned to eliminate duplicates Z: 9 6.217 1.664 0.646 0.354 0.750 0.375 CB 1.253 Z: 26 29.412 2.105 0.331 0.905 1.000 0.880 CB 1.495 26 residues pruned to eliminate duplicates Z: 13 11.415 1.767 0.393 0.787 0.833 0.417 CB 1.249 13 residues pruned to eliminate duplicates Z: 26 28.655 2.060 0.609 0.894 0.960 0.760 CB 1.292 26 residues pruned to eliminate duplicates Z: 26 28.597 2.055 0.509 0.900 1.000 0.840 CB 1.318 26 residues pruned to eliminate duplicates Z: 12 23.865 2.101 1.158 0.860 0.818 0.818 CB 1.426 12 residues pruned to eliminate duplicates Z: 20 31.854 2.049 0.851 0.913 1.000 0.789 CA 1.363 20 residues pruned to eliminate duplicates Z: 14 17.877 1.791 0.636 0.886 1.000 0.846 CB 1.221 13 residues pruned to eliminate duplicates Z: 12 13.465 1.851 0.481 0.848 0.818 0.455 CB 1.342 12 residues pruned to eliminate duplicates Z: 23 57.215 2.306 1.345 0.924 1.000 0.500 CB 1.584 23 residues pruned to eliminate duplicates Z: 23 15.112 1.936 0.120 0.782 0.955 0.818 CB 1.214 23 residues pruned to eliminate duplicates Z: 14 23.523 1.956 0.882 0.888 0.923 0.615 CB 1.383 15 residues pruned to eliminate duplicates Z: 35 31.441 2.004 0.615 0.656 1.000 0.765 CA 1.441 35 residues pruned to eliminate duplicates Z: 14 20.723 2.031 0.525 0.898 0.923 0.769 CB 1.438 14 residues pruned to eliminate duplicates Z: 9 14.254 1.993 0.852 0.727 0.875 0.625 CA 1.272 9 residues pruned to eliminate duplicates Z: 19 26.392 2.064 0.646 0.831 0.944 0.722 CB 1.457 18 residues pruned to eliminate duplicates Z: 19 37.406 2.133 1.126 0.903 1.000 0.722 CA 1.386 19 residues pruned to eliminate duplicates Z: 10 26.265 2.110 1.087 0.930 1.000 0.889 CB 1.391 10 residues pruned to eliminate duplicates Z: 26 26.954 1.974 0.433 0.898 1.000 0.960 CB 1.363 26 residues pruned to eliminate duplicates Z: 36 32.567 2.131 0.826 0.512 0.943 0.600 CB 1.482 34 residues pruned to eliminate duplicates Z: 12 17.100 1.880 0.409 0.842 1.000 0.909 CB 1.451 12 residues pruned to eliminate duplicates Z: 21 33.288 2.064 0.847 0.939 1.000 0.750 CA 1.357 21 residues pruned to eliminate duplicates Z: 26 29.029 2.004 0.708 0.829 1.000 0.680 CB 1.277 26 residues pruned to eliminate duplicates Z: 25 38.844 2.137 0.956 0.929 0.958 0.583 CB 1.385 25 residues pruned to eliminate duplicates Z: 15 30.638 2.110 1.362 0.915 0.857 0.714 CA 1.355 16 residues pruned to eliminate duplicates Z: 18 41.880 2.259 1.058 0.897 1.000 0.882 CA 1.564 18 residues pruned to eliminate duplicates Z: 26 27.449 2.026 0.817 0.908 0.880 0.600 CB 1.204 26 residues pruned to eliminate duplicates Z: 27 26.431 2.005 0.551 0.895 0.962 0.692 CB 1.242 27 residues pruned to eliminate duplicates Z: 6 2.070 1.614 0.539 0.480 0.600 0.400 CB 0.634 Z: 11 25.438 2.038 0.897 0.880 1.000 0.700 CB 1.508 11 residues pruned to eliminate duplicates Z: 29 24.746 2.084 0.795 0.562 0.893 0.571 CB 1.318 29 residues pruned to eliminate duplicates Z: 6 5.872 2.064 0.604 0.604 1.000 0.800 CB 0.719 Z: 15 19.669 2.014 0.488 0.893 0.929 0.786 CB 1.356 15 residues pruned to eliminate duplicates Z: 8 11.071 1.862 0.562 0.859 1.000 0.857 CB 1.059 8 residues pruned to eliminate duplicates Z: 16 24.968 2.000 0.985 0.836 0.933 0.667 CB 1.303 16 residues pruned to eliminate duplicates Z: 7 2.378 1.355 0.358 0.288 0.667 0.500 C 1.003 Z: 20 28.129 2.111 0.679 0.910 0.947 0.842 CA 1.363 20 residues pruned to eliminate duplicates Z: 14 15.851 1.873 0.491 0.833 0.923 0.769 CB 1.279 14 residues pruned to eliminate duplicates Z: 25 24.346 2.052 0.385 0.906 0.958 0.833 CB 1.298 25 residues pruned to eliminate duplicates Z: 53 57.358 2.260 0.967 0.661 0.962 0.731 CB 1.602 57 residues pruned to eliminate duplicates Z: 16 23.955 2.013 0.555 0.893 0.933 0.867 CA 1.519 16 residues pruned to eliminate duplicates Z: 21 34.436 2.077 0.851 0.930 1.000 0.550 CB 1.401 21 residues pruned to eliminate duplicates Z: 27 26.105 1.991 0.451 0.897 1.000 0.885 CB 1.268 27 residues pruned to eliminate duplicates Z: 25 25.282 2.024 0.390 0.903 1.000 0.833 CA 1.307 25 residues pruned to eliminate duplicates Z: 16 24.674 2.062 0.608 0.832 1.000 0.800 CA 1.443 16 residues pruned to eliminate duplicates Z: 16 20.986 1.936 0.420 0.858 1.000 0.867 CA 1.451 16 residues pruned to eliminate duplicates Z: 15 29.206 2.059 1.224 0.857 0.929 0.571 CB 1.353 15 residues pruned to eliminate duplicates Z: 25 31.956 2.147 0.558 0.924 0.958 0.833 CB 1.429 25 residues pruned to eliminate duplicates Z: 13 15.150 1.963 0.721 0.498 0.833 0.667 CA 1.557 13 residues pruned to eliminate duplicates Z: 14 8.106 1.802 0.710 0.391 0.692 0.308 CB 1.183 11 residues pruned to eliminate duplicates Z: 38 27.492 2.019 0.737 0.536 0.919 0.649 CB 1.353 36 residues pruned to eliminate duplicates Z: 16 15.636 1.837 0.244 0.879 1.000 0.867 CA 1.281 16 residues pruned to eliminate duplicates Z: 19 18.977 2.155 0.003 0.922 0.944 0.778 CA 1.541 19 residues pruned to eliminate duplicates Z: 16 29.561 1.996 1.082 0.861 1.000 0.467 CB 1.350 15 residues pruned to eliminate duplicates Z: 27 29.754 2.031 0.704 0.853 0.962 0.846 CB 1.296 27 residues pruned to eliminate duplicates Z: 12 6.466 1.921 0.411 0.210 0.909 0.455 CB 1.114 7 residues pruned to eliminate duplicates 6 0.983 1.396 0.076 0.493 0.800 0.400 CB 0.369 ? Z: 18 30.603 2.106 0.971 0.917 0.941 0.588 CA 1.340 18 residues pruned to eliminate duplicates Z: 18 41.160 2.220 0.892 0.883 1.000 0.941 CA 1.718 18 residues pruned to eliminate duplicates Z: 10 18.376 2.010 0.844 0.788 1.000 0.556 CB 1.283 10 residues pruned to eliminate duplicates Z: 20 27.730 2.155 0.703 0.675 0.947 0.789 CB 1.557 20 residues pruned to eliminate duplicates Z: 9 16.239 1.985 0.330 0.927 1.000 0.625 CB 1.523 9 residues pruned to eliminate duplicates Z: 16 25.577 1.991 1.067 0.841 0.933 0.933 CA 1.282 16 residues pruned to eliminate duplicates Z: 21 5.983 1.599 0.314 0.460 0.600 0.450 CB 1.105 12 residues pruned to eliminate duplicates Z: 20 41.365 2.152 1.198 0.928 0.947 0.368 CB 1.483 20 residues pruned to eliminate duplicates Z: 25 24.165 2.017 0.398 0.908 1.000 0.750 CB 1.243 25 residues pruned to eliminate duplicates Z: 12 17.816 2.047 1.149 0.816 0.909 0.727 CB 1.021 12 residues pruned to eliminate duplicates Z: 6 5.030 2.121 -0.172 0.775 0.800 0.800 CB 1.256 6 residues pruned to eliminate duplicates Z: 12 22.686 1.870 0.879 0.851 1.000 0.636 CB 1.441 12 residues pruned to eliminate duplicates Z: 12 24.507 2.045 0.936 0.843 1.000 0.818 CB 1.389 12 residues pruned to eliminate duplicates Z: 15 15.112 2.048 0.555 0.882 1.000 0.786 CA 0.918 15 residues pruned to eliminate duplicates Z: 14 17.599 1.923 0.729 0.810 0.923 0.692 CA 1.214 14 residues pruned to eliminate duplicates Z: 11 19.716 1.925 1.031 0.926 1.000 0.700 CB 1.119 11 residues pruned to eliminate duplicates Z: 26 24.278 1.981 0.365 0.867 1.000 0.880 CB 1.314 26 residues pruned to eliminate duplicates Z: 26 36.212 2.125 0.787 0.932 0.960 0.600 CB 1.387 26 residues pruned to eliminate duplicates Z: 27 25.109 1.990 0.390 0.895 1.000 0.846 CB 1.276 27 residues pruned to eliminate duplicates Z: 14 18.534 2.012 0.223 0.924 1.000 0.923 CA 1.466 14 residues pruned to eliminate duplicates Z: 11 7.499 1.513 0.346 0.882 1.000 0.700 CB 0.842 13 residues pruned to eliminate duplicates Z: 65 46.352 2.066 0.808 0.664 0.922 0.656 CB 1.445 64 residues pruned to eliminate duplicates Z: 11 14.838 1.888 0.736 0.816 0.900 0.800 CB 1.209 11 residues pruned to eliminate duplicates Z: 16 28.458 2.127 1.323 0.849 0.800 0.667 CB 1.378 16 residues pruned to eliminate duplicates Z: 14 10.342 1.716 0.263 0.808 0.923 0.692 CB 1.096 14 residues pruned to eliminate duplicates Z: 16 24.536 1.969 1.185 0.853 0.867 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 13 22.599 1.952 1.065 0.848 0.917 0.583 CB 1.310 13 residues pruned to eliminate duplicates Z: 8 7.033 1.616 0.270 0.861 1.000 0.857 CB 0.952 Z: 16 49.011 2.313 1.168 0.919 1.000 0.733 CB 1.778 16 residues pruned to eliminate duplicates Z: 16 33.377 2.113 1.277 0.895 0.933 0.667 CA 1.376 16 residues pruned to eliminate duplicates Z: 27 26.739 1.971 0.516 0.904 1.000 0.885 CB 1.250 27 residues pruned to eliminate duplicates Z: 6 4.508 1.646 -0.177 0.757 1.000 0.800 CB 1.183 6 residues pruned to eliminate duplicates Z: 12 21.461 1.880 0.950 0.874 0.909 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 19 41.295 2.205 1.027 0.906 1.000 0.833 CA 1.549 19 residues pruned to eliminate duplicates Z: 13 19.548 1.965 0.698 0.925 1.000 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 16 23.380 2.007 0.701 0.812 0.933 0.667 CA 1.444 16 residues pruned to eliminate duplicates Z: 7 12.478 2.149 0.458 0.655 0.833 0.333 CB 1.689 7 residues pruned to eliminate duplicates Z: 9 4.205 1.778 0.318 0.120 0.875 0.500 CB 1.170 9 residues pruned to eliminate duplicates Z: 45 49.637 2.159 0.852 0.781 0.977 0.886 CA 1.495 43 residues pruned to eliminate duplicates 6 1.338 1.241 0.477 0.301 0.800 0.400 CB 0.509 ? Z: 6 2.954 1.845 -0.110 0.298 0.800 0.600 CA 1.260 6 residues pruned to eliminate duplicates Z: 10 9.036 1.592 0.665 0.872 1.000 0.778 CB 0.828 Z: 12 18.316 1.900 0.433 0.911 1.000 1.000 CB 1.437 12 residues pruned to eliminate duplicates Z: 36 14.015 1.674 0.540 0.561 0.829 0.486 CB 1.045 18 residues pruned to eliminate duplicates 6 1.874 1.327 0.143 0.297 1.000 0.600 CB 0.694 ? Z: 15 25.120 2.032 1.097 0.870 0.857 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 13 18.529 1.949 0.745 0.913 0.917 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 26 25.887 2.017 0.443 0.911 1.000 0.720 CB 1.261 26 residues pruned to eliminate duplicates Z: 35 36.852 2.105 0.877 0.572 0.941 0.618 CB 1.585 35 residues pruned to eliminate duplicates Z: 33 22.618 1.973 0.306 0.752 0.969 0.750 CB 1.279 33 residues pruned to eliminate duplicates Z: 45 53.085 2.105 1.039 0.777 1.000 0.705 CB 1.460 46 residues pruned to eliminate duplicates Z: 20 21.001 2.176 0.094 0.915 0.947 0.842 CA 1.509 20 residues pruned to eliminate duplicates Z: 17 44.573 2.275 1.170 0.936 1.000 0.812 CB 1.571 19 residues pruned to eliminate duplicates Z: 13 31.197 2.189 0.868 0.873 1.000 0.750 CB 1.604 13 residues pruned to eliminate duplicates Z: 14 15.758 1.743 0.486 0.894 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 21 21.583 1.854 0.663 0.596 1.000 0.650 CA 1.429 14 residues pruned to eliminate duplicates Z: 54 38.851 2.117 0.819 0.568 0.849 0.604 CA 1.529 54 residues pruned to eliminate duplicates Z: 11 16.065 1.911 0.407 0.862 1.000 0.500 CB 1.387 11 residues pruned to eliminate duplicates Z: 17 44.072 2.244 1.239 0.929 1.000 0.750 CB 1.535 17 residues pruned to eliminate duplicates Z: 8 6.102 1.569 0.493 0.862 0.857 0.571 CB 0.843 8 residues pruned to eliminate duplicates Z: 11 19.140 1.905 0.617 0.865 1.000 0.700 CB 1.439 11 residues pruned to eliminate duplicates Z: 17 28.765 2.113 1.009 0.889 0.938 0.688 CB 1.301 17 residues pruned to eliminate duplicates Z: 25 37.760 2.133 0.861 0.924 0.958 0.542 CB 1.423 25 residues pruned to eliminate duplicates Z: 15 33.544 2.135 1.101 0.860 0.929 0.643 CB 1.583 15 residues pruned to eliminate duplicates Z: 16 24.551 2.021 0.709 0.880 0.933 0.600 CA 1.425 16 residues pruned to eliminate duplicates Z: 11 21.029 1.923 0.544 0.894 1.000 0.500 N 1.605 11 residues pruned to eliminate duplicates Z: 15 34.436 2.203 1.053 0.910 1.000 0.643 CA 1.444 15 residues pruned to eliminate duplicates Z: 20 26.064 2.192 0.275 0.919 1.000 0.842 CA 1.508 20 residues pruned to eliminate duplicates Z: 10 18.897 2.054 0.572 0.926 1.000 0.889 CB 1.368 10 residues pruned to eliminate duplicates Z: 6 5.508 1.528 0.683 0.506 0.800 0.800 N 1.190 6 residues pruned to eliminate duplicates Z: 19 21.577 2.062 1.224 0.472 0.778 0.444 CB 1.467 19 residues pruned to eliminate duplicates Z: 24 22.148 2.047 0.341 0.819 0.913 0.783 CB 1.397 22 residues pruned to eliminate duplicates Z: 30 30.505 2.178 0.773 0.652 0.897 0.690 CB 1.420 30 residues pruned to eliminate duplicates Z: 10 22.230 2.004 0.688 0.893 1.000 0.667 CB 1.573 11 residues pruned to eliminate duplicates Z: 25 26.238 2.133 0.251 0.923 0.958 0.917 CB 1.471 25 residues pruned to eliminate duplicates Z: 15 23.368 1.996 0.792 0.878 1.000 0.714 CA 1.267 15 residues pruned to eliminate duplicates Z: 20 33.692 2.228 0.508 0.942 1.000 0.789 CB 1.595 20 residues pruned to eliminate duplicates Z: 11 8.190 1.958 0.207 0.428 0.800 0.600 CA 1.476 11 residues pruned to eliminate duplicates Z: 89 55.605 2.147 0.800 0.611 0.920 0.625 CA 1.500 97 residues pruned to eliminate duplicates Z: 6 12.835 1.891 0.709 0.864 1.000 1.000 CB 1.302 6 residues pruned to eliminate duplicates Z: 8 5.582 1.596 0.142 0.875 0.857 0.857 CB 0.982 8 residues pruned to eliminate duplicates Z: 20 25.536 2.076 0.547 0.886 1.000 0.789 CA 1.316 20 residues pruned to eliminate duplicates Z: 10 22.937 2.067 1.079 0.892 1.000 0.889 CA 1.278 10 residues pruned to eliminate duplicates Z: 12 13.534 1.914 0.334 0.877 1.000 0.818 CB 1.161 12 residues pruned to eliminate duplicates Z: 16 21.588 2.048 1.040 0.853 0.867 0.400 CA 1.138 16 residues pruned to eliminate duplicates Z: 13 20.474 1.946 0.660 0.911 1.000 0.833 CB 1.297 13 residues pruned to eliminate duplicates Z: 15 27.852 2.114 0.740 0.864 1.000 0.714 CA 1.484 15 residues pruned to eliminate duplicates Z: 6 2.232 1.339 0.266 0.577 0.800 0.600 CA 0.683 Z: 24 32.176 2.109 0.518 0.928 1.000 0.913 CB 1.467 24 residues pruned to eliminate duplicates Z: 25 42.643 2.117 1.079 0.946 1.000 0.583 CB 1.368 25 residues pruned to eliminate duplicates Z: 12 16.717 1.699 0.924 0.897 0.909 0.364 CB 1.214 12 residues pruned to eliminate duplicates Z: 13 31.120 2.221 0.956 0.911 1.000 0.750 CB 1.465 13 residues pruned to eliminate duplicates Z: 24 39.212 2.247 0.696 0.910 1.000 0.913 CA 1.522 24 residues pruned to eliminate duplicates Z: 16 18.493 1.879 0.822 0.848 0.933 0.600 CB 1.109 16 residues pruned to eliminate duplicates Z: 14 20.785 1.980 0.523 0.811 1.000 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 18 9.488 1.790 0.568 0.347 0.824 0.471 CB 1.175 18 residues pruned to eliminate duplicates Z: 12 16.488 1.938 0.527 0.900 1.000 0.818 CA 1.200 12 residues pruned to eliminate duplicates Z: 6 4.001 1.454 0.569 0.783 1.000 0.600 CB 0.612 6 residues pruned to eliminate duplicates Z: 14 40.362 2.236 1.204 0.928 1.000 0.692 CB 1.590 14 residues pruned to eliminate duplicates Z: 22 18.529 2.000 0.725 0.436 0.905 0.762 CA 1.384 22 residues pruned to eliminate duplicates Z: 33 17.285 1.808 0.617 0.541 0.812 0.594 CB 1.236 28 residues pruned to eliminate duplicates Z: 26 23.549 1.972 0.544 0.917 1.000 0.840 CB 1.092 26 residues pruned to eliminate duplicates Z: 27 21.771 1.940 0.735 0.514 1.000 0.654 CB 1.251 27 residues pruned to eliminate duplicates Z: 50 53.873 2.237 0.897 0.666 1.000 0.796 CA 1.555 50 residues pruned to eliminate duplicates Z: 33 16.400 1.728 0.607 0.573 0.875 0.531 CB 1.112 36 residues pruned to eliminate duplicates Z: 31 35.236 2.240 0.928 0.543 0.967 0.767 CA 1.478 31 residues pruned to eliminate duplicates Z: 19 15.681 1.980 0.109 0.842 0.944 0.722 CB 1.328 18 residues pruned to eliminate duplicates Z: 11 10.229 1.792 0.089 0.792 1.000 0.300 CB 1.283 11 residues pruned to eliminate duplicates Z: 12 5.340 1.470 0.423 0.324 0.818 0.455 CA 1.142 12 residues pruned to eliminate duplicates Z: 21 16.363 1.871 0.582 0.648 0.850 0.500 CB 1.268 21 residues pruned to eliminate duplicates Z: 25 21.464 1.918 0.535 0.822 0.875 0.792 CB 1.287 25 residues pruned to eliminate duplicates Z: 26 27.666 2.022 0.473 0.912 0.960 0.760 CB 1.371 26 residues pruned to eliminate duplicates Z: 7 8.091 1.627 0.346 0.887 1.000 1.000 CB 1.088 7 residues pruned to eliminate duplicates Z: 9 7.676 1.670 0.726 0.541 0.750 0.375 CA 1.206 9 residues pruned to eliminate duplicates Z: 6 3.393 1.303 0.559 0.586 1.000 0.800 CB 0.688 Z: 11 16.527 1.848 0.356 0.902 1.000 0.700 CA 1.488 11 residues pruned to eliminate duplicates Z: 16 5.450 1.580 0.151 0.307 0.933 0.467 CB 1.027 12 residues pruned to eliminate duplicates Z: 12 20.447 1.852 0.976 0.879 0.909 0.818 CB 1.344 15 residues pruned to eliminate duplicates Z: 10 20.897 2.017 0.927 0.886 0.889 0.667 CB 1.455 10 residues pruned to eliminate duplicates Z: 23 23.278 2.214 0.844 0.377 0.955 0.500 CB 1.453 23 residues pruned to eliminate duplicates Z: 10 11.688 1.858 0.671 0.824 0.778 0.222 CA 1.218 10 residues pruned to eliminate duplicates Z: 9 7.557 1.588 0.925 0.687 0.750 0.500 CB 0.982 Z: 9 3.452 1.557 0.490 0.186 0.750 0.375 CB 1.022 Z: 39 38.752 2.061 0.796 0.669 1.000 0.842 CB 1.453 39 residues pruned to eliminate duplicates Z: 15 33.721 2.203 0.913 0.845 1.000 0.643 CB 1.590 15 residues pruned to eliminate duplicates Z: 15 18.021 1.928 0.559 0.728 0.929 0.786 CA 1.405 15 residues pruned to eliminate duplicates Z: 13 36.279 2.261 0.989 0.900 0.917 0.583 CB 1.814 13 residues pruned to eliminate duplicates Z: 50 48.831 2.195 0.804 0.715 0.959 0.755 CB 1.512 50 residues pruned to eliminate duplicates Z: 29 25.083 2.026 0.276 0.853 0.964 0.857 CB 1.406 29 residues pruned to eliminate duplicates Z: 36 40.294 2.211 0.802 0.654 0.971 0.714 CA 1.526 36 residues pruned to eliminate duplicates 6 1.603 1.421 -0.317 0.464 0.800 0.800 CB 0.957 ? Z: 10 8.382 1.567 0.661 0.894 0.889 0.667 CB 0.866 10 residues pruned to eliminate duplicates Z: 33 15.185 1.729 0.411 0.571 0.906 0.531 CB 1.134 33 residues pruned to eliminate duplicates Z: 18 46.251 2.301 1.272 0.925 0.941 0.882 CA 1.600 18 residues pruned to eliminate duplicates Z: 27 32.139 2.007 0.824 0.932 1.000 0.538 CB 1.203 27 residues pruned to eliminate duplicates Z: 44 45.691 2.197 0.910 0.591 0.953 0.674 CB 1.596 44 residues pruned to eliminate duplicates Z: 16 23.000 2.099 0.874 0.725 0.867 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 6 4.598 1.668 -0.074 0.666 1.000 0.800 CB 1.142 6 residues pruned to eliminate duplicates Z: 13 22.475 2.094 0.946 0.904 1.000 0.833 CA 1.134 13 residues pruned to eliminate duplicates Z: 11 9.042 1.584 0.949 0.829 0.900 0.600 CB 0.774 10 residues pruned to eliminate duplicates Z: 15 38.324 2.180 1.265 0.851 1.000 0.643 CB 1.535 15 residues pruned to eliminate duplicates Z: 51 45.360 2.069 0.835 0.718 0.960 0.840 CB 1.445 51 residues pruned to eliminate duplicates Z: 21 49.773 2.395 1.271 0.937 0.900 0.650 CB 1.582 21 residues pruned to eliminate duplicates Z: 7 4.356 1.367 0.529 0.360 0.833 0.500 CA 1.186 Z: 10 4.529 1.443 0.585 0.375 0.889 0.778 CA 0.848 Z: 11 22.999 2.158 0.629 0.882 1.000 0.900 CA 1.498 11 residues pruned to eliminate duplicates Z: 57 52.970 2.129 0.998 0.700 0.911 0.482 CB 1.523 57 residues pruned to eliminate duplicates Z: 26 24.179 2.041 0.465 0.921 0.960 0.760 CB 1.186 26 residues pruned to eliminate duplicates Z: 9 3.650 1.669 0.156 0.159 0.875 0.625 CB 1.159 9 residues pruned to eliminate duplicates Z: 15 23.046 2.043 0.769 0.860 0.929 0.429 CB 1.350 15 residues pruned to eliminate duplicates Z: 10 5.271 1.356 0.479 0.594 0.889 0.444 CB 0.901 10 residues pruned to eliminate duplicates Z: 23 17.909 2.026 0.583 0.509 0.909 0.727 CB 1.298 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 12.710 1.808 0.580 0.543 0.900 0.400 CB 1.498 10 residues pruned to eliminate duplicates Z: 6 3.101 1.710 0.235 0.259 0.800 0.600 CB 1.081 6 residues pruned to eliminate duplicates Z: 6 5.824 1.703 0.768 0.443 0.800 0.800 CA 1.146 6 residues pruned to eliminate duplicates Z: 61 46.339 2.167 0.742 0.645 0.917 0.617 CB 1.509 61 residues pruned to eliminate duplicates Z: 14 18.941 1.987 0.738 0.542 1.000 0.538 CB 1.460 15 residues pruned to eliminate duplicates Z: 12 14.595 1.851 0.269 0.851 1.000 0.727 CB 1.387 12 residues pruned to eliminate duplicates Z: 11 16.396 1.894 0.496 0.786 1.000 0.500 CB 1.423 11 residues pruned to eliminate duplicates Z: 11 15.421 1.985 0.318 0.830 0.900 0.500 CB 1.557 11 residues pruned to eliminate duplicates Z: 13 11.178 1.815 0.266 0.770 0.833 0.333 CB 1.327 13 residues pruned to eliminate duplicates Z: 11 18.905 1.974 0.404 0.861 1.000 0.400 CB 1.585 11 residues pruned to eliminate duplicates Z: 12 14.452 1.784 0.324 0.749 1.000 0.818 N 1.478 12 residues pruned to eliminate duplicates Z: 18 9.321 1.594 0.728 0.533 0.706 0.294 CB 1.126 18 residues pruned to eliminate duplicates Z: 12 15.091 1.896 0.377 0.770 0.909 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 27 29.602 2.207 0.738 0.536 0.923 0.577 CA 1.582 27 residues pruned to eliminate duplicates Z: 16 9.402 2.056 0.323 0.234 0.867 0.400 CA 1.403 16 residues pruned to eliminate duplicates Z: 30 25.015 2.084 0.740 0.507 0.828 0.483 CB 1.536 30 residues pruned to eliminate duplicates Z: 17 11.276 1.955 0.497 0.285 0.812 0.312 CA 1.509 17 residues pruned to eliminate duplicates Z: 9 7.873 1.888 0.691 0.399 0.875 0.625 CB 1.108 9 residues pruned to eliminate duplicates Z: 27 28.116 2.210 0.811 0.582 0.808 0.654 CB 1.576 27 residues pruned to eliminate duplicates Z: 27 31.216 2.191 0.856 0.563 0.885 0.462 CB 1.601 27 residues pruned to eliminate duplicates Z: 25 28.959 2.251 0.854 0.574 0.833 0.583 CB 1.582 25 residues pruned to eliminate duplicates Z: 12 12.904 1.974 0.727 0.427 0.818 0.545 CB 1.504 12 residues pruned to eliminate duplicates Z: 16 14.636 2.180 0.575 0.357 0.800 0.600 CB 1.606 16 residues pruned to eliminate duplicates Z: 27 32.153 2.183 0.882 0.621 0.846 0.615 CB 1.618 27 residues pruned to eliminate duplicates Z: 45 32.622 2.037 0.707 0.617 0.909 0.545 CB 1.393 45 residues pruned to eliminate duplicates Z: 45 34.593 2.038 0.876 0.587 0.886 0.523 CB 1.416 45 residues pruned to eliminate duplicates Z: 28 27.035 2.151 0.749 0.557 0.889 0.519 CB 1.472 28 residues pruned to eliminate duplicates Z: 27 24.658 2.190 0.817 0.552 0.808 0.538 CB 1.431 27 residues pruned to eliminate duplicates Z: 28 30.302 2.187 0.930 0.549 0.852 0.593 CB 1.547 28 residues pruned to eliminate duplicates Z: 27 28.985 2.203 0.666 0.586 0.923 0.615 CB 1.544 27 residues pruned to eliminate duplicates Z: 26 29.274 2.135 1.076 0.555 0.880 0.600 CB 1.423 26 residues pruned to eliminate duplicates Z: 29 25.520 2.129 0.597 0.548 0.893 0.500 CB 1.515 29 residues pruned to eliminate duplicates Z: 30 30.228 2.123 0.759 0.553 0.966 0.552 CB 1.479 30 residues pruned to eliminate duplicates Z: 28 29.551 2.175 0.837 0.549 0.889 0.481 CB 1.527 28 residues pruned to eliminate duplicates Z: 30 26.145 2.132 0.818 0.533 0.828 0.448 CB 1.466 30 residues pruned to eliminate duplicates Z: 46 33.184 2.042 0.760 0.618 0.889 0.556 CB 1.384 46 residues pruned to eliminate duplicates Z: 26 27.043 2.234 0.768 0.565 0.800 0.560 CB 1.607 26 residues pruned to eliminate duplicates Z: 23 24.054 2.036 0.516 0.836 0.955 0.773 CA 1.303 23 residues pruned to eliminate duplicates Z: 21 30.258 2.128 0.679 0.886 1.000 0.850 CA 1.366 19 residues pruned to eliminate duplicates Z: 19 25.030 2.064 0.525 0.904 1.000 0.944 CA 1.335 19 residues pruned to eliminate duplicates Z: 23 30.409 2.058 0.807 0.845 0.955 0.727 CA 1.357 23 residues pruned to eliminate duplicates Z: 21 36.346 2.171 0.968 0.878 0.950 0.700 CA 1.453 21 residues pruned to eliminate duplicates Z: 20 38.697 2.163 1.084 0.893 0.947 0.632 CA 1.491 20 residues pruned to eliminate duplicates Z: 21 38.623 2.155 1.088 0.893 0.950 0.600 CA 1.451 21 residues pruned to eliminate duplicates Z: 22 37.483 2.081 1.071 0.837 0.952 0.333 CA 1.491 22 residues pruned to eliminate duplicates Z: 23 37.718 2.074 0.997 0.890 0.955 0.455 CB 1.462 23 residues pruned to eliminate duplicates Z: 22 45.467 2.145 1.211 0.875 1.000 0.333 CA 1.521 22 residues pruned to eliminate duplicates Z: 20 37.716 2.173 1.099 0.890 0.895 0.211 CA 1.526 20 residues pruned to eliminate duplicates Z: 22 33.788 2.058 1.017 0.925 0.905 0.333 CB 1.377 22 residues pruned to eliminate duplicates Z: 18 28.349 2.134 0.869 0.845 0.882 0.294 CB 1.453 18 residues pruned to eliminate duplicates Z: 21 43.720 2.146 1.273 0.888 0.950 0.400 CB 1.519 21 residues pruned to eliminate duplicates Z: 23 38.006 2.055 1.274 0.847 0.909 0.227 CB 1.416 23 residues pruned to eliminate duplicates Z: 16 20.984 1.999 0.968 0.810 0.733 0.133 CB 1.433 16 residues pruned to eliminate duplicates Z: 19 35.250 2.105 1.276 0.855 0.889 0.167 CB 1.440 19 residues pruned to eliminate duplicates Z: 20 18.400 1.894 1.047 0.696 0.737 0.263 CB 1.235 20 residues pruned to eliminate duplicates Z: 15 29.611 2.032 1.206 0.890 0.929 0.214 CB 1.368 15 residues pruned to eliminate duplicates Z: 28 24.758 1.886 1.010 0.567 0.852 0.519 CB 1.383 28 residues pruned to eliminate duplicates Z: 59 40.012 1.947 0.979 0.685 0.931 0.724 CB 1.235 59 residues pruned to eliminate duplicates Z: 19 37.352 2.107 1.199 0.767 0.889 0.722 CA 1.686 19 residues pruned to eliminate duplicates Z: 49 47.324 2.095 0.929 0.724 0.938 0.750 CB 1.474 49 residues pruned to eliminate duplicates Z: 21 30.585 2.103 1.053 0.737 0.850 0.700 CB 1.507 21 residues pruned to eliminate duplicates Z: 58 43.094 2.033 0.864 0.682 0.912 0.825 CB 1.397 58 residues pruned to eliminate duplicates Z: 55 51.161 2.032 0.926 0.768 1.000 0.796 CB 1.402 59 residues pruned to eliminate duplicates Z: 17 46.814 2.315 1.038 0.923 1.000 0.812 CA 1.743 17 residues pruned to eliminate duplicates Z: 18 46.940 2.242 1.261 0.886 0.941 0.824 CB 1.722 18 residues pruned to eliminate duplicates Z: 18 35.782 2.251 0.811 0.888 0.941 0.941 CA 1.630 18 residues pruned to eliminate duplicates Z: 59 46.846 2.017 0.914 0.714 0.948 0.759 CB 1.383 59 residues pruned to eliminate duplicates Z: 18 35.639 2.198 0.746 0.918 1.000 0.941 CA 1.588 18 residues pruned to eliminate duplicates Z: 47 43.839 2.078 0.756 0.767 0.957 0.804 CA 1.462 47 residues pruned to eliminate duplicates Z: 54 53.012 2.063 0.930 0.784 0.981 0.811 CB 1.452 54 residues pruned to eliminate duplicates Z: 51 46.090 2.088 0.844 0.699 0.940 0.760 CB 1.503 51 residues pruned to eliminate duplicates Z: 52 42.357 2.048 0.757 0.734 0.941 0.784 CB 1.419 52 residues pruned to eliminate duplicates Z: 54 47.348 2.030 0.804 0.784 0.981 0.830 CA 1.410 54 residues pruned to eliminate duplicates Z: 38 35.985 2.071 0.709 0.706 0.919 0.757 CB 1.508 38 residues pruned to eliminate duplicates Z: 52 49.553 2.075 0.837 0.803 0.980 0.882 CB 1.425 52 residues pruned to eliminate duplicates Z: 58 45.217 2.048 0.865 0.660 0.982 0.702 CB 1.376 58 residues pruned to eliminate duplicates Z: 54 49.830 2.044 0.903 0.776 0.981 0.830 CB 1.405 54 residues pruned to eliminate duplicates Z: 52 45.809 2.084 0.820 0.732 0.961 0.765 CB 1.429 52 residues pruned to eliminate duplicates Z: 60 43.664 1.969 0.740 0.704 1.000 0.797 CB 1.378 60 residues pruned to eliminate duplicates Z: 48 49.367 2.122 0.853 0.748 1.000 0.809 CB 1.468 48 residues pruned to eliminate duplicates Z: 49 42.660 2.083 0.780 0.728 0.938 0.875 CB 1.443 49 residues pruned to eliminate duplicates Z: 60 46.433 1.965 0.813 0.754 1.000 0.712 CB 1.354 60 residues pruned to eliminate duplicates Z: 36 44.676 2.171 0.781 0.732 1.000 0.800 CB 1.586 36 residues pruned to eliminate duplicates Z: 53 52.406 2.064 0.875 0.801 1.000 0.865 CB 1.444 53 residues pruned to eliminate duplicates Z: 17 20.809 1.876 0.832 0.843 0.938 0.812 CA 1.202 17 residues pruned to eliminate duplicates Z: 58 45.361 1.997 0.783 0.733 1.000 0.825 CA 1.369 58 residues pruned to eliminate duplicates Z: 55 47.174 2.038 0.933 0.765 0.944 0.759 CB 1.364 55 residues pruned to eliminate duplicates Z: 59 44.246 2.019 0.781 0.722 0.983 0.741 CB 1.345 59 residues pruned to eliminate duplicates Z: 56 46.063 2.026 0.780 0.757 1.000 0.782 CB 1.370 56 residues pruned to eliminate duplicates Z: 54 48.709 2.006 0.832 0.789 1.000 0.811 CB 1.413 54 residues pruned to eliminate duplicates Z: 52 49.532 2.081 0.860 0.735 1.000 0.745 CB 1.451 52 residues pruned to eliminate duplicates Z: 48 37.169 1.991 0.857 0.647 0.872 0.660 CB 1.465 48 residues pruned to eliminate duplicates Z: 57 48.624 2.002 0.908 0.736 1.000 0.732 CB 1.377 57 residues pruned to eliminate duplicates Z: 59 43.230 1.996 0.764 0.711 0.983 0.638 CB 1.355 59 residues pruned to eliminate duplicates Z: 48 43.467 2.102 0.738 0.737 0.979 0.745 CB 1.433 48 residues pruned to eliminate duplicates Z: 22 23.474 1.961 1.074 0.714 0.905 0.381 CB 1.147 22 residues pruned to eliminate duplicates Z: 46 48.662 2.126 0.872 0.784 0.956 0.800 CB 1.486 46 residues pruned to eliminate duplicates 6 1.966 1.311 0.914 0.213 0.600 0.600 CB 0.820 ? Z: 31 41.712 2.207 0.997 0.600 0.967 0.733 CB 1.625 31 residues pruned to eliminate duplicates Z: 56 56.593 2.160 1.066 0.673 0.927 0.455 CB 1.572 53 residues pruned to eliminate duplicates Z: 6 5.832 1.913 0.351 0.318 1.000 0.400 CA 1.233 6 residues pruned to eliminate duplicates Z: 34 36.216 2.138 0.924 0.569 0.939 0.636 CB 1.526 34 residues pruned to eliminate duplicates Z: 32 36.403 2.272 0.917 0.533 0.903 0.645 CB 1.610 32 residues pruned to eliminate duplicates Z: 62 50.964 2.118 0.869 0.681 0.967 0.541 CB 1.443 62 residues pruned to eliminate duplicates Z: 31 35.337 2.159 0.941 0.593 0.867 0.433 CA 1.626 31 residues pruned to eliminate duplicates Z: 68 63.016 2.200 0.895 0.704 0.985 0.746 CB 1.556 68 residues pruned to eliminate duplicates Z: 28 39.325 2.243 1.013 0.642 0.963 0.630 CA 1.525 28 residues pruned to eliminate duplicates Z: 32 39.963 2.229 1.069 0.578 0.903 0.613 CA 1.599 32 residues pruned to eliminate duplicates Z: 32 37.842 2.207 0.907 0.577 0.935 0.677 CB 1.603 32 residues pruned to eliminate duplicates Z: 30 40.021 2.257 0.963 0.566 0.966 0.724 CB 1.631 30 residues pruned to eliminate duplicates Z: 33 41.341 2.235 0.950 0.553 0.969 0.625 CB 1.643 33 residues pruned to eliminate duplicates Z: 32 40.246 2.266 0.896 0.543 0.968 0.645 CA 1.667 32 residues pruned to eliminate duplicates Z: 34 39.008 2.183 0.910 0.556 0.970 0.545 CA 1.590 34 residues pruned to eliminate duplicates Z: 33 38.316 2.214 0.920 0.559 0.938 0.688 CA 1.604 33 residues pruned to eliminate duplicates Z: 72 55.627 2.171 0.797 0.654 0.958 0.662 CB 1.531 72 residues pruned to eliminate duplicates Z: 33 35.156 2.231 0.920 0.512 0.938 0.625 CA 1.529 33 residues pruned to eliminate duplicates Z: 33 33.287 2.113 0.869 0.495 0.969 0.688 CB 1.546 33 residues pruned to eliminate duplicates Z: 36 35.465 2.127 0.897 0.519 0.943 0.629 CA 1.546 36 residues pruned to eliminate duplicates Z: 31 38.927 2.262 0.872 0.550 0.967 0.633 CA 1.654 31 residues pruned to eliminate duplicates Z: 31 38.510 2.259 0.989 0.565 0.967 0.700 CA 1.521 31 residues pruned to eliminate duplicates Z: 69 48.110 2.111 0.885 0.635 0.926 0.500 CB 1.395 69 residues pruned to eliminate duplicates Z: 31 40.510 2.282 0.918 0.559 0.967 0.667 CA 1.651 31 residues pruned to eliminate duplicates Z: 29 37.656 2.292 0.900 0.554 0.964 0.607 CA 1.609 29 residues pruned to eliminate duplicates Z: 32 36.271 2.257 0.842 0.551 0.935 0.677 CA 1.595 32 residues pruned to eliminate duplicates Z: 33 37.650 2.238 0.734 0.550 0.969 0.688 CA 1.685 33 residues pruned to eliminate duplicates Z: 32 34.809 2.207 0.756 0.590 0.968 0.645 CA 1.529 32 residues pruned to eliminate duplicates Z: 67 57.459 2.215 0.784 0.719 0.955 0.758 CA 1.539 67 residues pruned to eliminate duplicates Z: 72 55.346 2.192 0.790 0.654 0.958 0.746 CA 1.515 72 residues pruned to eliminate duplicates Z: 70 56.700 2.171 0.804 0.690 0.942 0.754 CB 1.555 70 residues pruned to eliminate duplicates Z: 107 62.952 2.088 0.769 0.700 0.953 0.670 CB 1.447 106 residues pruned to eliminate duplicates Z: 11 22.247 2.178 0.565 0.900 1.000 0.800 CB 1.474 11 residues pruned to eliminate duplicates Z: 71 57.706 2.179 0.845 0.667 0.971 0.686 CA 1.514 71 residues pruned to eliminate duplicates Z: 14 15.594 1.781 0.614 0.709 0.923 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 17 16.394 1.853 0.682 0.691 0.938 0.625 CB 1.178 17 residues pruned to eliminate duplicates Z: 12 15.984 1.945 0.569 0.781 0.909 0.727 CB 1.356 12 residues pruned to eliminate duplicates Z: 17 19.328 1.854 0.844 0.718 0.938 0.688 CB 1.238 17 residues pruned to eliminate duplicates Z: 20 17.104 1.825 0.601 0.680 0.947 0.789 CB 1.201 20 residues pruned to eliminate duplicates Z: 15 22.053 1.932 0.801 0.754 1.000 0.714 CB 1.350 15 residues pruned to eliminate duplicates Z: 12 21.604 1.994 0.757 0.754 1.000 0.818 CB 1.483 12 residues pruned to eliminate duplicates Z: 16 22.290 1.900 0.862 0.750 1.000 0.800 CB 1.302 16 residues pruned to eliminate duplicates Z: 12 22.358 1.942 0.880 0.863 1.000 0.636 CB 1.354 12 residues pruned to eliminate duplicates Z: 42 30.672 2.046 0.734 0.633 0.927 0.537 CB 1.286 42 residues pruned to eliminate duplicates Z: 23 28.215 2.116 0.991 0.515 0.955 0.727 CB 1.473 23 residues pruned to eliminate duplicates Z: 50 50.042 2.223 0.822 0.673 0.939 0.714 CB 1.603 50 residues pruned to eliminate duplicates Z: 22 25.978 2.185 0.817 0.577 0.905 0.619 CB 1.465 22 residues pruned to eliminate duplicates Z: 44 51.946 2.275 0.879 0.734 0.907 0.791 CB 1.657 44 residues pruned to eliminate duplicates Z: 50 47.204 2.214 0.785 0.670 0.918 0.694 CB 1.588 50 residues pruned to eliminate duplicates Z: 35 43.338 2.229 0.834 0.699 0.971 0.588 CB 1.562 35 residues pruned to eliminate duplicates Z: 36 46.456 2.292 0.844 0.735 0.943 0.800 CB 1.595 36 residues pruned to eliminate duplicates Z: 23 24.861 2.157 0.921 0.493 0.909 0.636 CB 1.418 23 residues pruned to eliminate duplicates Z: 22 26.081 2.111 0.853 0.557 0.952 0.381 CB 1.446 22 residues pruned to eliminate duplicates Z: 49 54.137 2.236 0.988 0.685 0.917 0.688 CB 1.618 49 residues pruned to eliminate duplicates Z: 44 44.461 2.198 0.930 0.621 0.930 0.674 CA 1.533 44 residues pruned to eliminate duplicates Z: 33 29.519 2.100 0.876 0.495 0.938 0.438 CB 1.421 33 residues pruned to eliminate duplicates Z: 45 50.181 2.264 0.789 0.714 0.955 0.750 CB 1.612 45 residues pruned to eliminate duplicates Z: 45 53.693 2.281 0.848 0.731 0.955 0.750 CB 1.634 45 residues pruned to eliminate duplicates Z: 44 53.891 2.309 0.837 0.736 0.953 0.791 CB 1.644 44 residues pruned to eliminate duplicates Z: 44 51.799 2.298 0.799 0.721 0.977 0.814 CA 1.602 44 residues pruned to eliminate duplicates Z: 45 49.231 2.277 0.772 0.695 0.932 0.659 CB 1.653 45 residues pruned to eliminate duplicates Z: 29 29.060 2.133 0.885 0.601 0.893 0.750 CB 1.389 29 residues pruned to eliminate duplicates Z: 45 57.075 2.321 0.943 0.723 0.932 0.682 CA 1.674 45 residues pruned to eliminate duplicates Z: 45 52.563 2.289 0.876 0.724 0.955 0.682 CB 1.579 45 residues pruned to eliminate duplicates Z: 24 51.249 2.394 1.100 0.852 0.913 0.609 CA 1.722 24 residues pruned to eliminate duplicates Z: 48 51.650 2.248 0.925 0.692 0.957 0.638 CB 1.526 48 residues pruned to eliminate duplicates Z: 44 61.049 2.337 1.008 0.744 0.953 0.628 CB 1.673 46 residues pruned to eliminate duplicates Z: 23 55.378 2.376 1.128 0.930 1.000 0.682 CA 1.633 23 residues pruned to eliminate duplicates Z: 25 53.414 2.382 1.104 0.864 0.958 0.500 CA 1.665 25 residues pruned to eliminate duplicates Z: 25 59.902 2.399 1.280 0.845 0.958 0.667 CA 1.734 25 residues pruned to eliminate duplicates Z: 25 56.768 2.360 1.294 0.851 0.917 0.458 CB 1.728 25 residues pruned to eliminate duplicates Z: 23 62.150 2.442 1.265 0.911 0.955 0.636 CB 1.779 23 residues pruned to eliminate duplicates Z: 26 48.683 2.293 1.185 0.834 0.920 0.520 CB 1.583 26 residues pruned to eliminate duplicates Z: 25 55.810 2.372 1.324 0.848 0.917 0.500 CB 1.672 25 residues pruned to eliminate duplicates Z: 58 58.405 2.237 0.993 0.680 0.930 0.649 CB 1.581 58 residues pruned to eliminate duplicates Z: 45 57.916 2.303 1.071 0.724 0.932 0.591 CB 1.605 45 residues pruned to eliminate duplicates Z: 26 57.626 2.304 1.348 0.825 0.960 0.440 CB 1.675 26 residues pruned to eliminate duplicates Z: 22 55.711 2.407 1.331 0.829 0.905 0.333 CA 1.802 21 residues pruned to eliminate duplicates Z: 14 36.771 2.362 1.203 0.809 0.846 0.462 CA 1.770 14 residues pruned to eliminate duplicates Z: 31 51.897 2.243 1.195 0.760 0.933 0.433 CB 1.637 31 residues pruned to eliminate duplicates Z: 18 41.381 2.364 1.222 0.848 0.882 0.588 CA 1.607 18 residues pruned to eliminate duplicates Z: 47 54.218 2.256 1.060 0.700 0.913 0.413 CB 1.571 47 residues pruned to eliminate duplicates Z: 59 54.503 2.182 0.928 0.672 0.931 0.517 CB 1.559 59 residues pruned to eliminate duplicates Z: 20 42.686 2.317 1.337 0.780 0.895 0.474 CA 1.579 19 residues pruned to eliminate duplicates Z: 22 65.735 2.439 1.487 0.925 1.000 0.333 CB 1.659 22 residues pruned to eliminate duplicates Z: 25 58.864 2.379 1.370 0.854 0.917 0.417 CA 1.717 25 residues pruned to eliminate duplicates Z: 25 56.281 2.352 1.379 0.846 0.917 0.417 CB 1.665 25 residues pruned to eliminate duplicates Z: 25 58.226 2.344 1.364 0.869 0.917 0.375 CA 1.710 25 residues pruned to eliminate duplicates Z: 6 2.969 1.677 0.072 0.588 0.600 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 13 6.227 1.569 0.341 0.571 0.833 0.333 CB 0.958 13 residues pruned to eliminate duplicates Z: 14 4.204 1.700 0.030 0.336 0.769 0.385 CB 1.035 14 residues pruned to eliminate duplicates Z: 10 4.754 1.833 0.007 0.398 0.889 0.444 CB 1.076 10 residues pruned to eliminate duplicates Z: 13 4.555 1.625 -0.095 0.460 0.917 0.333 CB 1.016 13 residues pruned to eliminate duplicates Z: 7 3.267 1.799 -0.133 0.373 0.833 0.667 CB 1.175 7 residues pruned to eliminate duplicates Z: 16 4.787 1.675 0.077 0.337 0.733 0.333 CB 1.116 16 residues pruned to eliminate duplicates Z: 30 16.067 1.740 0.543 0.469 0.897 0.448 CB 1.280 38 residues pruned to eliminate duplicates Z: 6 5.795 1.785 0.221 0.818 1.000 0.600 CB 0.902 6 residues pruned to eliminate duplicates Z: 10 6.212 1.507 0.379 0.775 0.889 0.778 CB 0.879 9 residues pruned to eliminate duplicates Z: 6 5.597 1.797 0.075 0.867 1.000 1.000 CB 0.948 6 residues pruned to eliminate duplicates Z: 9 5.228 1.536 0.047 0.889 1.000 0.875 CB 0.828 9 residues pruned to eliminate duplicates Z: 34 18.958 1.916 0.294 0.729 0.818 0.697 CB 1.324 34 residues pruned to eliminate duplicates Z: 31 27.588 1.994 0.622 0.827 0.933 0.733 CB 1.258 32 residues pruned to eliminate duplicates Z: 9 13.097 1.859 0.499 0.858 0.875 0.625 CB 1.399 9 residues pruned to eliminate duplicates Z: 24 27.768 2.016 0.550 0.832 0.957 0.739 CB 1.454 22 residues pruned to eliminate duplicates Z: 24 29.588 2.122 0.458 0.945 0.957 0.783 CB 1.442 24 residues pruned to eliminate duplicates Z: 36 26.267 1.977 0.383 0.763 0.943 0.800 CB 1.363 36 residues pruned to eliminate duplicates Z: 36 25.433 1.933 0.592 0.680 0.914 0.686 CB 1.295 31 residues pruned to eliminate duplicates Z: 24 34.032 2.169 0.535 0.935 1.000 0.826 CB 1.486 24 residues pruned to eliminate duplicates Z: 29 34.380 2.077 0.679 0.891 0.964 0.857 CB 1.388 29 residues pruned to eliminate duplicates Z: 36 28.581 1.998 0.545 0.725 0.886 0.657 CB 1.443 43 residues pruned to eliminate duplicates Z: 19 25.022 2.219 0.258 0.903 0.944 0.889 CA 1.594 19 residues pruned to eliminate duplicates Z: 33 22.479 1.942 0.369 0.776 0.906 0.781 CB 1.292 33 residues pruned to eliminate duplicates Z: 23 28.848 2.122 0.338 0.884 1.000 0.909 CA 1.566 23 residues pruned to eliminate duplicates Z: 38 28.168 1.932 0.508 0.733 0.946 0.757 CB 1.362 37 residues pruned to eliminate duplicates Z: 25 32.195 2.138 0.480 0.932 1.000 0.875 CB 1.450 25 residues pruned to eliminate duplicates Z: 23 32.563 2.128 0.610 0.892 0.955 0.864 CB 1.525 23 residues pruned to eliminate duplicates Z: 17 18.666 1.882 0.608 0.651 0.875 0.625 CB 1.531 17 residues pruned to eliminate duplicates Z: 15 27.501 1.988 0.897 0.701 1.000 0.786 CB 1.623 15 residues pruned to eliminate duplicates Z: 13 18.523 1.944 0.762 0.766 0.833 0.667 CA 1.480 13 residues pruned to eliminate duplicates Z: 15 18.442 1.984 0.528 0.713 0.857 0.500 CB 1.564 15 residues pruned to eliminate duplicates Z: 16 26.710 1.900 1.014 0.683 1.000 0.600 CA 1.523 16 residues pruned to eliminate duplicates Z: 13 24.529 1.917 0.989 0.724 1.000 0.583 CA 1.517 13 residues pruned to eliminate duplicates Z: 20 22.825 1.882 0.838 0.591 0.947 0.632 CB 1.465 20 residues pruned to eliminate duplicates Z: 18 24.159 1.881 0.859 0.619 1.000 0.647 CB 1.497 18 residues pruned to eliminate duplicates Z: 21 19.599 1.847 0.661 0.595 0.900 0.550 CB 1.449 21 residues pruned to eliminate duplicates Z: 16 20.533 1.973 0.807 0.724 0.800 0.467 CB 1.519 16 residues pruned to eliminate duplicates Z: 18 23.355 1.901 0.750 0.630 1.000 0.647 CB 1.507 18 residues pruned to eliminate duplicates Z: 71 58.909 2.177 0.832 0.682 0.971 0.757 CA 1.537 71 residues pruned to eliminate duplicates Z: 69 57.585 2.203 0.806 0.680 0.971 0.794 CB 1.532 69 residues pruned to eliminate duplicates Z: 36 32.901 2.066 0.720 0.670 0.943 0.771 CB 1.419 36 residues pruned to eliminate duplicates Z: 70 58.405 2.192 0.843 0.680 0.957 0.710 CB 1.543 70 residues pruned to eliminate duplicates Z: 34 33.528 2.064 0.780 0.714 0.909 0.758 CA 1.439 34 residues pruned to eliminate duplicates Z: 38 37.870 2.140 0.683 0.733 0.946 0.757 CA 1.481 38 residues pruned to eliminate duplicates Z: 38 44.626 2.157 0.820 0.807 0.973 0.703 CB 1.469 38 residues pruned to eliminate duplicates Z: 69 48.654 2.127 0.744 0.612 0.956 0.632 CA 1.497 69 residues pruned to eliminate duplicates Z: 34 36.377 2.081 0.779 0.742 0.970 0.667 CB 1.421 34 residues pruned to eliminate duplicates Z: 68 51.712 2.147 0.759 0.665 0.940 0.627 CB 1.526 68 residues pruned to eliminate duplicates Z: 37 45.159 2.175 0.789 0.814 1.000 0.833 CB 1.473 37 residues pruned to eliminate duplicates Z: 84 60.546 2.190 0.854 0.691 0.940 0.711 CB 1.463 84 residues pruned to eliminate duplicates Z: 71 57.847 2.173 0.873 0.671 0.943 0.743 CA 1.539 71 residues pruned to eliminate duplicates Z: 69 57.754 2.161 0.883 0.694 0.956 0.706 CA 1.508 69 residues pruned to eliminate duplicates Z: 66 57.243 2.202 0.857 0.700 0.985 0.723 CA 1.470 66 residues pruned to eliminate duplicates Z: 35 33.666 2.060 0.774 0.720 0.912 0.647 CB 1.420 35 residues pruned to eliminate duplicates Z: 70 63.164 2.204 0.941 0.669 0.971 0.696 CB 1.566 70 residues pruned to eliminate duplicates Z: 69 59.588 2.195 0.849 0.674 0.971 0.721 CB 1.563 69 residues pruned to eliminate duplicates Z: 38 42.089 2.122 0.990 0.808 0.973 0.676 CB 1.287 38 residues pruned to eliminate duplicates Z: 70 62.448 2.180 0.920 0.691 0.986 0.710 CA 1.530 70 residues pruned to eliminate duplicates Z: 49 45.058 2.124 0.890 0.748 0.896 0.667 CB 1.449 49 residues pruned to eliminate duplicates Z: 65 52.238 2.179 0.810 0.633 0.953 0.594 CA 1.534 65 residues pruned to eliminate duplicates Z: 71 62.456 2.164 0.959 0.685 0.971 0.657 CA 1.530 71 residues pruned to eliminate duplicates Z: 33 41.232 2.130 0.967 0.758 0.938 0.750 CB 1.475 33 residues pruned to eliminate duplicates Z: 64 55.044 2.160 0.964 0.655 0.937 0.667 CB 1.510 64 residues pruned to eliminate duplicates Z: 67 62.449 2.184 0.951 0.711 0.970 0.682 CB 1.536 67 residues pruned to eliminate duplicates Z: 38 23.221 1.890 0.499 0.702 0.946 0.730 CB 1.185 32 residues pruned to eliminate duplicates Z: 27 24.462 2.057 0.317 0.873 1.000 0.846 CB 1.290 27 residues pruned to eliminate duplicates Z: 30 22.863 1.962 0.345 0.818 0.931 0.724 CB 1.311 30 residues pruned to eliminate duplicates Z: 30 25.526 1.990 0.423 0.808 0.966 0.793 CB 1.326 30 residues pruned to eliminate duplicates Z: 30 23.053 1.981 0.410 0.809 0.897 0.793 CB 1.305 30 residues pruned to eliminate duplicates Z: 30 24.754 1.976 0.497 0.792 0.931 0.724 CB 1.292 30 residues pruned to eliminate duplicates Z: 32 23.154 1.926 0.500 0.792 0.968 0.742 CB 1.151 31 residues pruned to eliminate duplicates Z: 27 27.492 2.005 0.437 0.898 1.000 0.808 CB 1.339 27 residues pruned to eliminate duplicates Z: 31 17.615 1.890 0.040 0.821 1.000 0.800 CB 1.239 31 residues pruned to eliminate duplicates Z: 35 22.850 1.922 0.265 0.767 0.971 0.794 CB 1.311 35 residues pruned to eliminate duplicates Z: 26 19.331 1.989 0.272 0.801 0.880 0.800 CB 1.335 26 residues pruned to eliminate duplicates Z: 47 30.036 1.931 0.656 0.756 0.891 0.739 CB 1.237 84 residues pruned to eliminate duplicates Z: 18 24.313 2.079 0.773 0.856 0.941 0.824 CB 1.253 Z: 17 28.194 2.183 0.752 0.926 1.000 0.750 CB 1.292 18 residues pruned to eliminate duplicates Z: 26 27.556 2.044 0.587 0.864 0.920 0.760 CB 1.354 18 residues pruned to eliminate duplicates Z: 27 28.337 2.009 0.661 0.868 0.962 0.692 CB 1.266 25 residues pruned to eliminate duplicates Z: 25 31.965 2.090 0.784 0.880 0.958 0.542 CB 1.323 26 residues pruned to eliminate duplicates Z: 27 30.242 2.024 0.811 0.879 0.962 0.462 CB 1.220 27 residues pruned to eliminate duplicates Z: 26 31.652 2.047 0.782 0.896 0.960 0.520 CB 1.296 26 residues pruned to eliminate duplicates Z: 36 27.807 1.919 0.673 0.764 0.943 0.629 CB 1.229 32 residues pruned to eliminate duplicates Z: 25 30.293 2.083 0.793 0.914 0.958 0.708 CB 1.221 25 residues pruned to eliminate duplicates Z: 35 26.355 1.953 0.575 0.736 0.971 0.588 CB 1.225 35 residues pruned to eliminate duplicates Z: 57 41.111 1.989 0.785 0.760 0.929 0.446 CB 1.323 59 residues pruned to eliminate duplicates Z: 17 22.911 2.027 0.947 0.845 0.875 0.438 CB 1.234 17 residues pruned to eliminate duplicates Z: 29 25.649 1.999 0.661 0.788 0.929 0.536 CB 1.221 29 residues pruned to eliminate duplicates Z: 37 25.910 1.883 0.622 0.739 0.944 0.528 CB 1.208 37 residues pruned to eliminate duplicates Z: 31 14.632 1.742 0.477 0.571 0.833 0.567 CB 1.164 31 residues pruned to eliminate duplicates Z: 32 16.923 1.765 0.536 0.583 0.935 0.484 CB 1.107 32 residues pruned to eliminate duplicates Z: 21 17.159 1.918 0.718 0.625 0.800 0.450 CB 1.295 21 residues pruned to eliminate duplicates Z: 11 4.485 1.833 0.382 0.205 0.600 0.300 CB 1.323 11 residues pruned to eliminate duplicates Z: 37 14.485 1.675 0.423 0.550 0.944 0.472 CB 1.021 37 residues pruned to eliminate duplicates Z: 33 14.640 1.758 0.581 0.510 0.844 0.500 CB 1.092 33 residues pruned to eliminate duplicates Z: 31 16.497 1.776 0.559 0.591 0.900 0.633 CB 1.108 31 residues pruned to eliminate duplicates Z: 23 14.812 1.926 0.425 0.582 0.818 0.591 CB 1.299 23 residues pruned to eliminate duplicates Z: 22 16.413 1.906 0.650 0.609 0.810 0.571 CB 1.269 22 residues pruned to eliminate duplicates Z: 36 12.802 1.693 0.399 0.512 0.886 0.514 CB 1.020 36 residues pruned to eliminate duplicates Z: 31 17.347 1.782 0.645 0.555 0.900 0.633 CB 1.139 31 residues pruned to eliminate duplicates Z: 23 13.500 1.898 0.330 0.553 0.909 0.591 CB 1.191 23 residues pruned to eliminate duplicates Z: 21 17.642 1.960 0.558 0.609 0.850 0.700 CB 1.371 21 residues pruned to eliminate duplicates Z: 23 14.855 1.929 0.544 0.571 0.818 0.636 CB 1.213 23 residues pruned to eliminate duplicates Z: 35 13.584 1.723 0.379 0.478 0.912 0.500 CB 1.099 35 residues pruned to eliminate duplicates Z: 22 16.742 1.881 0.683 0.567 0.857 0.524 CB 1.261 22 residues pruned to eliminate duplicates Z: 24 16.155 1.890 0.650 0.541 0.826 0.565 CB 1.256 24 residues pruned to eliminate duplicates Z: 18 9.951 1.558 0.654 0.616 0.882 0.294 CB 0.951 18 residues pruned to eliminate duplicates Z: 25 14.077 1.847 0.541 0.517 0.875 0.542 CB 1.135 25 residues pruned to eliminate duplicates Z: 35 16.000 1.719 0.634 0.585 0.853 0.618 CB 1.056 35 residues pruned to eliminate duplicates 388 residues left after pruning, divided into chains as follows: A: 10 B: 6 C: 51 D: 57 E: 64 F: 9 G: 141 H: 50 CC for partial structure against native data = 38.52 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.490, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.571, Connect. = 0.766 for dens.mod. cycle 2 = 0.300, Contrast = 0.676, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.686, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.699, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.703, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.709, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.712, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.715, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.716, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3013 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 580 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 20.433 2.081 0.563 0.785 0.867 0.667 CA 1.457 B: 26 43.389 2.241 0.804 0.930 0.960 0.720 CB 1.564 C: 14 29.319 2.249 0.800 0.911 0.846 0.769 CA 1.682 16 residues pruned to eliminate duplicates D: 22 63.951 2.496 1.104 0.939 1.000 0.571 CB 1.847 26 residues pruned to eliminate duplicates E: 23 45.740 2.410 0.820 0.921 0.955 0.909 CB 1.640 23 residues pruned to eliminate duplicates F: 25 37.903 2.239 0.683 0.920 0.958 0.792 CB 1.508 G: 15 27.434 2.230 0.603 0.820 0.929 0.857 CB 1.673 15 residues pruned to eliminate duplicates H: 13 37.224 2.383 1.019 0.859 1.000 0.750 CB 1.644 I: 23 60.481 2.399 1.235 0.938 1.000 0.500 CB 1.672 22 residues pruned to eliminate duplicates J: 23 54.474 2.393 0.983 0.929 1.000 0.818 CB 1.712 23 residues pruned to eliminate duplicates K: 14 20.414 2.171 0.543 0.884 0.769 0.769 CA 1.587 13 residues pruned to eliminate duplicates L: 15 26.235 2.186 0.617 0.828 0.929 0.786 CA 1.608 15 residues pruned to eliminate duplicates M: 25 60.164 2.341 1.240 0.957 1.000 0.667 CB 1.608 24 residues pruned to eliminate duplicates N: 20 39.904 2.244 1.130 0.842 0.947 0.842 CA 1.506 O: 18 45.287 2.278 1.093 0.907 1.000 0.647 CA 1.637 20 residues pruned to eliminate duplicates P: 25 29.723 2.157 0.389 0.932 0.958 0.792 CB 1.476 25 residues pruned to eliminate duplicates Q: 20 42.395 2.133 1.265 0.906 1.000 0.684 CA 1.432 18 residues pruned to eliminate duplicates R: 16 26.083 2.147 0.699 0.778 1.000 0.733 CB 1.444 16 residues pruned to eliminate duplicates S: 14 23.660 2.214 0.559 0.896 0.923 0.692 CB 1.475 14 residues pruned to eliminate duplicates T: 24 47.526 2.296 0.853 0.939 1.000 0.739 CB 1.619 24 residues pruned to eliminate duplicates U: 20 41.058 2.102 1.094 0.861 1.000 0.737 CA 1.573 20 residues pruned to eliminate duplicates V: 25 28.374 2.076 0.578 0.859 0.875 0.625 CB 1.488 25 residues pruned to eliminate duplicates W: 25 38.717 2.210 0.597 0.931 1.000 0.875 CB 1.565 25 residues pruned to eliminate duplicates X: 17 45.539 2.294 1.077 0.909 1.000 0.938 CA 1.696 Y: 26 37.457 2.192 0.758 0.880 0.920 0.640 CB 1.531 26 residues pruned to eliminate duplicates Z: 19 36.797 2.214 0.879 0.913 0.944 0.667 CB 1.562 19 residues pruned to eliminate duplicates Z: 22 65.785 2.485 1.203 0.942 1.000 0.667 CB 1.819 22 residues pruned to eliminate duplicates Z: 17 43.136 2.228 1.202 0.923 1.000 0.688 CB 1.544 17 residues pruned to eliminate duplicates Z: 20 37.206 2.136 1.069 0.856 0.947 0.684 CA 1.503 20 residues pruned to eliminate duplicates Z: 14 23.981 2.239 0.878 0.814 0.846 0.462 CB 1.423 14 residues pruned to eliminate duplicates Z: 14 35.855 2.222 1.387 0.909 1.000 0.923 CA 1.331 Z: 16 22.498 2.060 1.067 0.899 0.933 0.867 CA 1.045 16 residues pruned to eliminate duplicates Z: 16 50.383 2.270 1.269 0.915 1.000 0.733 CB 1.784 17 residues pruned to eliminate duplicates Z: 23 65.142 2.389 1.432 0.952 1.000 0.500 CB 1.646 23 residues pruned to eliminate duplicates Z: 8 15.495 2.005 0.574 0.730 1.000 0.857 CB 1.509 Z: 15 26.013 1.992 0.922 0.899 0.929 0.786 CB 1.397 Z: 18 40.848 2.128 1.088 0.919 1.000 0.882 CA 1.572 18 residues pruned to eliminate duplicates Z: 19 44.576 2.162 1.249 0.926 1.000 0.556 CA 1.516 19 residues pruned to eliminate duplicates Z: 23 58.737 2.406 1.202 0.937 1.000 0.545 CB 1.645 23 residues pruned to eliminate duplicates Z: 19 45.412 2.222 1.164 0.915 1.000 0.778 CA 1.573 21 residues pruned to eliminate duplicates Z: 21 52.644 2.274 1.391 0.938 0.950 0.550 CB 1.584 21 residues pruned to eliminate duplicates Z: 24 29.964 2.138 0.838 0.849 0.957 0.870 CA 1.233 14 residues pruned to eliminate duplicates Z: 16 38.821 2.311 0.806 0.922 1.000 0.867 CA 1.690 16 residues pruned to eliminate duplicates Z: 12 8.594 1.940 0.491 0.719 0.818 0.727 CB 0.898 12 residues pruned to eliminate duplicates Z: 21 34.733 2.104 0.949 0.921 1.000 0.800 CA 1.333 Z: 25 35.863 2.201 0.521 0.933 1.000 0.833 CB 1.526 25 residues pruned to eliminate duplicates Z: 25 57.343 2.259 1.368 0.949 0.958 0.208 CB 1.576 25 residues pruned to eliminate duplicates Z: 20 35.681 2.149 1.009 0.900 1.000 0.684 CA 1.355 20 residues pruned to eliminate duplicates Z: 23 52.021 2.362 1.014 0.942 1.000 0.409 CB 1.616 23 residues pruned to eliminate duplicates Z: 15 30.808 2.135 1.080 0.898 1.000 0.857 CA 1.327 14 residues pruned to eliminate duplicates Z: 20 28.758 2.206 0.349 0.935 0.947 0.895 CA 1.631 19 residues pruned to eliminate duplicates Z: 26 51.092 2.219 1.050 0.932 1.000 0.520 CB 1.568 26 residues pruned to eliminate duplicates Z: 16 44.982 2.325 1.034 0.921 1.000 0.933 CA 1.727 16 residues pruned to eliminate duplicates Z: 19 37.037 2.110 1.028 0.902 1.000 0.833 CA 1.454 19 residues pruned to eliminate duplicates Z: 20 34.571 2.198 1.000 0.833 0.895 0.632 CA 1.513 20 residues pruned to eliminate duplicates Z: 23 47.962 2.406 0.842 0.924 1.000 0.773 CB 1.621 23 residues pruned to eliminate duplicates Z: 14 37.050 2.268 1.230 0.903 1.000 0.462 CB 1.449 13 residues pruned to eliminate duplicates Z: 14 35.646 2.187 1.299 0.924 1.000 0.769 CA 1.380 14 residues pruned to eliminate duplicates Z: 26 29.315 2.043 0.753 0.904 0.920 0.640 CB 1.268 Z: 26 28.866 2.161 0.255 0.903 1.000 0.840 CB 1.518 26 residues pruned to eliminate duplicates Z: 26 37.202 2.200 0.583 0.919 1.000 0.840 CA 1.506 26 residues pruned to eliminate duplicates Z: 16 19.664 2.061 0.419 0.770 0.933 0.733 CB 1.465 14 residues pruned to eliminate duplicates Z: 13 10.450 1.998 0.294 0.273 0.917 0.500 CB 1.647 Z: 16 21.413 1.834 0.484 0.931 1.000 0.867 CB 1.420 Z: 15 30.026 2.214 0.995 0.781 0.929 0.571 CB 1.527 14 residues pruned to eliminate duplicates Z: 36 35.274 2.186 0.792 0.538 0.943 0.743 CB 1.555 29 residues pruned to eliminate duplicates Z: 16 43.504 2.314 0.951 0.933 1.000 0.800 CA 1.737 16 residues pruned to eliminate duplicates Z: 19 36.823 2.163 1.041 0.939 0.944 0.667 CA 1.447 20 residues pruned to eliminate duplicates Z: 14 12.834 2.029 0.455 0.570 0.769 0.615 CB 1.465 14 residues pruned to eliminate duplicates Z: 14 35.161 2.255 1.136 0.892 0.923 0.538 CB 1.576 14 residues pruned to eliminate duplicates Z: 26 33.649 2.194 0.607 0.896 0.960 0.840 CA 1.423 26 residues pruned to eliminate duplicates Z: 11 17.256 1.945 0.506 0.852 1.000 0.900 CA 1.378 11 residues pruned to eliminate duplicates Z: 26 29.997 2.057 0.711 0.897 0.960 0.760 CB 1.271 26 residues pruned to eliminate duplicates Z: 14 25.356 2.046 0.768 0.906 1.000 0.846 CB 1.383 14 residues pruned to eliminate duplicates Z: 17 35.820 2.292 0.737 0.893 1.000 0.812 CA 1.615 16 residues pruned to eliminate duplicates Z: 12 22.325 1.951 0.993 0.810 1.000 0.727 CA 1.321 10 residues pruned to eliminate duplicates Z: 16 23.120 1.967 0.800 0.880 0.933 0.867 CA 1.309 16 residues pruned to eliminate duplicates Z: 18 32.145 2.109 1.101 0.877 0.941 0.588 CA 1.357 18 residues pruned to eliminate duplicates Z: 17 40.284 2.276 0.839 0.945 1.000 1.000 CA 1.666 17 residues pruned to eliminate duplicates Z: 22 27.708 2.032 0.869 0.867 0.905 0.571 CA 1.287 22 residues pruned to eliminate duplicates Z: 12 17.029 1.915 0.425 0.896 1.000 0.909 CB 1.348 Z: 18 38.040 2.156 1.136 0.913 0.941 0.765 CA 1.507 18 residues pruned to eliminate duplicates Z: 12 31.116 2.455 0.600 0.856 0.909 0.727 CA 1.938 12 residues pruned to eliminate duplicates Z: 22 49.390 2.450 1.118 0.937 0.857 0.429 CB 1.686 22 residues pruned to eliminate duplicates Z: 26 26.354 2.112 0.766 0.769 0.920 0.680 CA 1.211 26 residues pruned to eliminate duplicates Z: 16 19.033 1.975 0.572 0.556 0.933 0.733 CA 1.606 16 residues pruned to eliminate duplicates Z: 17 37.352 2.270 0.789 0.886 1.000 0.875 CA 1.658 17 residues pruned to eliminate duplicates Z: 12 32.300 2.404 0.977 0.826 0.818 0.727 CA 1.888 12 residues pruned to eliminate duplicates Z: 16 27.362 2.059 0.686 0.908 0.933 0.800 CA 1.549 16 residues pruned to eliminate duplicates Z: 26 30.944 2.068 0.619 0.901 0.960 0.840 CB 1.374 26 residues pruned to eliminate duplicates Z: 12 15.494 1.901 0.415 0.887 1.000 1.000 CB 1.253 12 residues pruned to eliminate duplicates Z: 23 40.871 2.268 0.690 0.924 1.000 0.773 CA 1.597 23 residues pruned to eliminate duplicates Z: 45 34.109 2.064 0.693 0.617 0.955 0.705 CB 1.380 40 residues pruned to eliminate duplicates Z: 13 35.008 2.194 1.083 0.838 1.000 0.750 CA 1.652 13 residues pruned to eliminate duplicates Z: 16 18.297 1.922 0.626 0.530 1.000 0.733 CB 1.467 15 residues pruned to eliminate duplicates Z: 9 16.475 2.017 0.330 0.880 1.000 0.875 CB 1.573 Z: 15 15.854 1.932 0.230 0.882 0.929 0.929 CA 1.389 15 residues pruned to eliminate duplicates Z: 26 31.261 2.025 0.802 0.902 0.960 0.680 CB 1.274 26 residues pruned to eliminate duplicates Z: 19 39.034 2.247 0.941 0.891 1.000 0.833 CA 1.516 19 residues pruned to eliminate duplicates Z: 17 43.664 2.275 0.972 0.939 1.000 0.812 CA 1.691 17 residues pruned to eliminate duplicates Z: 26 34.773 2.062 0.755 0.898 1.000 0.560 CB 1.376 26 residues pruned to eliminate duplicates Z: 20 37.069 2.173 0.965 0.929 1.000 0.895 CA 1.394 19 residues pruned to eliminate duplicates Z: 14 32.500 2.256 1.304 0.933 0.923 0.692 CA 1.311 14 residues pruned to eliminate duplicates Z: 16 37.780 2.323 0.789 0.930 1.000 0.800 CA 1.641 16 residues pruned to eliminate duplicates Z: 12 12.694 2.364 -0.186 0.925 1.000 1.000 CA 1.395 12 residues pruned to eliminate duplicates Z: 20 42.068 2.154 1.254 0.931 0.947 0.368 CA 1.467 20 residues pruned to eliminate duplicates Z: 25 32.910 2.235 0.475 0.894 0.958 0.792 CB 1.525 25 residues pruned to eliminate duplicates Z: 18 43.376 2.312 1.107 0.920 1.000 0.941 CA 1.520 18 residues pruned to eliminate duplicates Z: 21 33.165 2.140 0.833 0.906 0.950 0.350 CB 1.415 21 residues pruned to eliminate duplicates Z: 26 28.554 2.108 0.265 0.921 1.000 0.880 CB 1.507 26 residues pruned to eliminate duplicates Z: 15 29.698 2.190 0.656 0.855 1.000 0.786 CA 1.616 15 residues pruned to eliminate duplicates Z: 13 16.389 2.145 -0.037 0.901 1.000 0.917 CB 1.635 13 residues pruned to eliminate duplicates Z: 11 13.302 1.832 0.290 0.901 1.000 0.900 CB 1.270 9 residues pruned to eliminate duplicates Z: 18 41.901 2.191 1.138 0.915 1.000 0.471 CB 1.533 18 residues pruned to eliminate duplicates Z: 25 41.926 2.240 0.722 0.938 1.000 0.792 CB 1.543 25 residues pruned to eliminate duplicates Z: 13 26.944 2.194 0.869 0.794 0.917 0.667 CB 1.599 13 residues pruned to eliminate duplicates Z: 14 16.404 2.064 0.505 0.602 0.846 0.615 CB 1.571 14 residues pruned to eliminate duplicates Z: 12 24.394 2.011 0.757 0.921 1.000 0.818 CB 1.465 Z: 26 30.303 2.045 0.543 0.887 1.000 0.880 CB 1.385 26 residues pruned to eliminate duplicates Z: 26 32.231 2.074 0.681 0.908 1.000 0.800 CB 1.313 26 residues pruned to eliminate duplicates Z: 20 33.136 2.182 0.853 0.851 0.947 0.895 CA 1.470 20 residues pruned to eliminate duplicates Z: 11 13.344 1.963 0.180 0.858 0.900 0.800 CA 1.491 12 residues pruned to eliminate duplicates Z: 14 13.865 1.784 0.650 0.869 0.923 0.846 CB 1.034 Z: 11 23.140 2.160 1.007 0.909 0.900 0.800 CB 1.331 11 residues pruned to eliminate duplicates Z: 16 25.942 2.074 0.954 0.823 0.867 0.800 CA 1.442 16 residues pruned to eliminate duplicates Z: 8 16.707 1.975 0.513 0.900 1.000 0.714 CB 1.510 8 residues pruned to eliminate duplicates Z: 14 35.201 2.252 1.023 0.924 0.923 0.462 CB 1.631 14 residues pruned to eliminate duplicates Z: 15 28.782 2.139 1.159 0.888 1.000 0.714 CB 1.200 15 residues pruned to eliminate duplicates Z: 17 37.833 2.337 1.027 0.888 0.938 0.812 CA 1.535 17 residues pruned to eliminate duplicates Z: 14 14.874 1.822 0.529 0.797 1.000 0.846 CB 1.141 14 residues pruned to eliminate duplicates Z: 26 31.869 2.063 0.653 0.914 0.960 0.760 CB 1.377 26 residues pruned to eliminate duplicates Z: 13 21.077 1.888 0.636 0.896 1.000 1.000 CB 1.412 13 residues pruned to eliminate duplicates Z: 21 39.243 2.118 1.078 0.930 0.950 0.400 CB 1.468 21 residues pruned to eliminate duplicates Z: 20 37.652 2.214 1.080 0.844 0.947 0.842 CA 1.473 20 residues pruned to eliminate duplicates Z: 12 20.388 1.935 0.694 0.863 1.000 0.909 CB 1.376 12 residues pruned to eliminate duplicates Z: 11 19.094 2.034 0.610 0.914 1.000 0.900 CA 1.304 Z: 16 21.258 1.874 0.491 0.880 1.000 0.867 CA 1.424 16 residues pruned to eliminate duplicates Z: 12 12.691 1.787 0.167 0.877 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 19 26.700 2.074 1.025 0.875 0.889 0.444 CA 1.226 19 residues pruned to eliminate duplicates Z: 23 24.256 1.956 0.652 0.872 0.955 0.773 CA 1.222 23 residues pruned to eliminate duplicates Z: 18 37.818 2.221 0.829 0.895 1.000 0.824 CA 1.620 18 residues pruned to eliminate duplicates Z: 12 21.794 1.928 0.724 0.831 1.000 0.818 CB 1.486 12 residues pruned to eliminate duplicates Z: 20 23.020 2.011 0.582 0.935 1.000 0.842 CA 1.156 20 residues pruned to eliminate duplicates Z: 25 33.974 2.124 0.815 0.911 0.958 0.750 CB 1.331 26 residues pruned to eliminate duplicates Z: 14 13.328 1.706 0.557 0.831 1.000 0.615 CB 1.046 15 residues pruned to eliminate duplicates Z: 20 40.403 2.148 1.284 0.916 0.947 0.579 CA 1.408 20 residues pruned to eliminate duplicates Z: 19 43.978 2.232 1.235 0.889 1.000 0.833 CA 1.496 19 residues pruned to eliminate duplicates Z: 11 18.928 2.032 0.590 0.900 1.000 0.900 CA 1.324 11 residues pruned to eliminate duplicates Z: 16 25.173 1.992 0.943 0.900 0.933 0.867 CB 1.286 15 residues pruned to eliminate duplicates Z: 26 29.286 2.134 0.310 0.918 0.960 0.880 CB 1.540 26 residues pruned to eliminate duplicates Z: 11 17.818 2.104 0.744 0.825 0.900 0.900 CB 1.287 11 residues pruned to eliminate duplicates Z: 14 18.008 1.834 0.486 0.890 1.000 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 26 39.493 2.182 0.870 0.896 0.920 0.680 CB 1.507 26 residues pruned to eliminate duplicates Z: 6 3.077 1.796 -0.242 0.660 0.800 0.800 CB 1.089 Z: 13 27.490 1.957 1.071 0.910 1.000 0.583 CB 1.388 12 residues pruned to eliminate duplicates Z: 52 61.990 2.308 1.021 0.689 0.980 0.745 CA 1.596 46 residues pruned to eliminate duplicates Z: 12 17.810 1.978 0.678 0.824 0.909 0.727 CA 1.344 12 residues pruned to eliminate duplicates Z: 16 25.649 1.907 0.849 0.894 0.933 0.600 CB 1.443 19 residues pruned to eliminate duplicates Z: 11 19.632 2.010 0.668 0.860 1.000 0.700 CB 1.362 11 residues pruned to eliminate duplicates Z: 8 8.719 1.957 0.506 0.402 1.000 0.714 CB 1.239 8 residues pruned to eliminate duplicates Z: 27 28.966 2.042 0.681 0.894 0.962 0.808 CB 1.235 27 residues pruned to eliminate duplicates Z: 11 29.742 2.279 0.745 0.883 1.000 0.800 CA 1.711 11 residues pruned to eliminate duplicates Z: 15 22.802 1.887 0.787 0.842 1.000 0.643 CB 1.346 12 residues pruned to eliminate duplicates Z: 14 10.971 1.751 0.171 0.856 0.923 0.692 CB 1.185 14 residues pruned to eliminate duplicates Z: 17 26.567 2.073 0.955 0.914 0.938 0.500 CB 1.237 16 residues pruned to eliminate duplicates Z: 10 17.365 1.958 0.377 0.895 1.000 0.889 CA 1.539 10 residues pruned to eliminate duplicates Z: 12 21.480 2.018 0.779 0.903 1.000 0.909 CA 1.286 12 residues pruned to eliminate duplicates Z: 15 31.572 2.065 1.050 0.912 1.000 0.786 CB 1.411 15 residues pruned to eliminate duplicates Z: 13 35.569 2.311 1.075 0.909 1.000 0.667 CB 1.520 13 residues pruned to eliminate duplicates Z: 12 20.387 1.998 0.752 0.880 0.909 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 14 38.531 2.311 1.115 0.908 1.000 0.615 CB 1.553 14 residues pruned to eliminate duplicates Z: 25 43.084 2.213 0.925 0.931 0.958 0.708 CB 1.505 25 residues pruned to eliminate duplicates Z: 7 7.151 1.937 0.308 0.852 1.000 1.000 CB 0.852 7 residues pruned to eliminate duplicates Z: 12 16.802 1.890 0.651 0.840 0.909 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 14 7.909 2.020 0.512 0.148 0.846 0.385 CB 1.310 13 residues pruned to eliminate duplicates Z: 37 34.763 2.189 0.701 0.584 0.944 0.694 CA 1.520 37 residues pruned to eliminate duplicates Z: 17 43.640 2.239 1.055 0.934 1.000 1.000 CA 1.653 17 residues pruned to eliminate duplicates Z: 27 25.758 2.033 0.347 0.910 1.000 0.692 CB 1.309 27 residues pruned to eliminate duplicates Z: 12 15.148 1.852 0.376 0.827 1.000 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 16 24.822 1.823 1.007 0.875 0.933 0.800 CA 1.366 16 residues pruned to eliminate duplicates Z: 14 33.653 2.285 1.081 0.895 0.923 0.692 CB 1.524 14 residues pruned to eliminate duplicates Z: 67 47.837 2.139 0.808 0.623 0.909 0.470 CB 1.492 62 residues pruned to eliminate duplicates Z: 8 3.694 1.511 0.112 0.443 0.857 0.571 CB 1.028 Z: 27 29.133 2.014 0.673 0.916 0.962 0.692 CB 1.245 27 residues pruned to eliminate duplicates Z: 26 27.093 2.035 0.360 0.910 1.000 0.880 CB 1.389 26 residues pruned to eliminate duplicates Z: 14 14.010 1.762 0.583 0.859 0.846 0.692 CB 1.212 14 residues pruned to eliminate duplicates Z: 13 28.562 2.134 0.803 0.902 1.000 0.833 CB 1.529 13 residues pruned to eliminate duplicates Z: 11 10.274 1.565 0.474 0.905 1.000 0.500 CB 1.003 Z: 26 27.437 2.096 0.360 0.885 0.960 0.840 CA 1.449 26 residues pruned to eliminate duplicates Z: 17 24.687 2.046 0.711 0.850 1.000 0.750 CA 1.306 17 residues pruned to eliminate duplicates Z: 26 37.593 2.138 0.803 0.900 0.960 0.760 CB 1.451 26 residues pruned to eliminate duplicates Z: 21 41.291 2.122 1.320 0.877 0.950 0.350 CA 1.433 22 residues pruned to eliminate duplicates Z: 14 26.365 2.192 1.054 0.903 0.923 0.846 CA 1.254 14 residues pruned to eliminate duplicates Z: 12 8.647 2.028 0.290 0.360 1.000 0.455 CB 1.159 12 residues pruned to eliminate duplicates Z: 18 20.078 2.113 0.222 0.894 1.000 0.706 CB 1.352 18 residues pruned to eliminate duplicates Z: 18 46.111 2.337 1.223 0.930 0.941 0.765 CA 1.599 18 residues pruned to eliminate duplicates Z: 11 17.827 2.012 0.653 0.874 1.000 0.900 CA 1.234 11 residues pruned to eliminate duplicates Z: 28 31.536 2.022 0.869 0.832 0.852 0.778 CA 1.415 28 residues pruned to eliminate duplicates Z: 16 21.400 1.935 0.568 0.874 0.933 0.800 CA 1.421 16 residues pruned to eliminate duplicates Z: 10 17.245 1.973 0.375 0.909 1.000 0.778 CA 1.504 10 residues pruned to eliminate duplicates Z: 25 22.212 2.065 0.186 0.897 1.000 0.750 CB 1.325 25 residues pruned to eliminate duplicates Z: 8 10.415 1.909 0.251 0.884 1.000 1.000 CB 1.190 8 residues pruned to eliminate duplicates Z: 25 29.579 2.221 0.311 0.906 0.958 0.875 CB 1.539 25 residues pruned to eliminate duplicates Z: 25 30.934 2.143 0.490 0.890 0.958 0.792 CB 1.485 25 residues pruned to eliminate duplicates Z: 28 23.774 2.017 0.247 0.854 1.000 0.815 CB 1.344 25 residues pruned to eliminate duplicates Z: 14 26.606 2.104 0.500 0.901 1.000 0.923 CA 1.670 14 residues pruned to eliminate duplicates Z: 26 30.011 2.129 0.387 0.875 0.960 0.680 CB 1.540 26 residues pruned to eliminate duplicates Z: 11 19.847 2.054 0.761 0.842 1.000 0.900 CA 1.293 11 residues pruned to eliminate duplicates Z: 24 39.219 2.373 0.448 0.933 0.957 0.913 CA 1.736 24 residues pruned to eliminate duplicates Z: 16 26.106 2.080 0.882 0.823 0.867 0.600 CB 1.502 16 residues pruned to eliminate duplicates Z: 9 7.199 1.689 -0.026 0.909 1.000 1.000 CB 1.098 Z: 13 21.892 1.952 1.005 0.914 0.917 0.583 CB 1.246 14 residues pruned to eliminate duplicates Z: 14 25.472 2.314 0.325 0.864 1.000 0.846 CA 1.691 14 residues pruned to eliminate duplicates Z: 17 35.563 2.153 1.053 0.918 1.000 0.562 CB 1.418 17 residues pruned to eliminate duplicates Z: 10 18.333 1.988 0.432 0.908 1.000 0.556 CB 1.525 10 residues pruned to eliminate duplicates Z: 12 6.928 1.637 0.152 0.574 1.000 0.636 CB 1.032 5 residues pruned to eliminate duplicates Z: 41 26.781 2.074 0.595 0.566 0.850 0.575 CB 1.412 40 residues pruned to eliminate duplicates Z: 20 33.100 2.203 0.791 0.839 1.000 0.895 CA 1.438 20 residues pruned to eliminate duplicates Z: 26 27.649 2.014 0.525 0.866 0.920 0.800 CB 1.433 26 residues pruned to eliminate duplicates Z: 14 19.837 2.050 0.654 0.660 0.923 0.769 CB 1.515 14 residues pruned to eliminate duplicates Z: 10 10.485 1.568 0.350 0.893 1.000 0.889 CB 1.186 9 residues pruned to eliminate duplicates Z: 6 16.225 1.998 0.863 0.869 1.000 1.000 CB 1.424 Z: 26 18.867 1.976 0.230 0.827 0.960 0.720 CB 1.220 26 residues pruned to eliminate duplicates Z: 27 28.207 2.113 0.292 0.900 0.962 0.769 CB 1.505 27 residues pruned to eliminate duplicates Z: 20 45.945 2.125 1.303 0.947 1.000 0.263 CA 1.488 20 residues pruned to eliminate duplicates Z: 16 23.669 1.870 0.757 0.895 0.933 0.667 CB 1.428 16 residues pruned to eliminate duplicates Z: 16 21.292 1.948 0.769 0.877 0.933 0.867 CA 1.241 16 residues pruned to eliminate duplicates Z: 43 51.458 2.167 0.836 0.824 1.000 0.857 CA 1.507 44 residues pruned to eliminate duplicates Z: 6 6.459 1.637 1.025 0.478 0.800 0.600 CB 1.114 Z: 13 11.126 1.632 0.478 0.889 1.000 0.833 CB 0.959 Z: 19 12.834 1.872 0.560 0.481 0.778 0.611 CA 1.358 19 residues pruned to eliminate duplicates Z: 14 23.434 2.215 0.726 0.782 0.923 0.462 CB 1.437 14 residues pruned to eliminate duplicates Z: 11 19.222 2.025 0.976 0.822 0.900 0.600 CB 1.276 11 residues pruned to eliminate duplicates Z: 18 11.579 1.800 0.515 0.495 0.765 0.588 CB 1.354 18 residues pruned to eliminate duplicates Z: 18 16.321 1.808 0.666 0.476 0.882 0.588 CB 1.527 18 residues pruned to eliminate duplicates Z: 26 28.786 2.037 0.530 0.880 0.960 0.760 CA 1.395 26 residues pruned to eliminate duplicates Z: 14 12.642 1.792 0.312 0.866 0.923 0.769 CB 1.183 14 residues pruned to eliminate duplicates Z: 15 19.607 1.953 0.666 0.917 1.000 0.929 CA 1.136 15 residues pruned to eliminate duplicates Z: 15 19.960 1.922 0.964 0.805 0.857 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 16 18.456 1.894 0.415 0.904 0.933 0.867 CA 1.357 16 residues pruned to eliminate duplicates Z: 12 16.660 1.916 0.517 0.902 1.000 0.818 CB 1.232 12 residues pruned to eliminate duplicates Z: 13 38.494 2.319 1.208 0.940 1.000 1.000 CA 1.508 13 residues pruned to eliminate duplicates Z: 7 6.577 1.980 0.059 0.745 0.833 0.667 CB 1.234 7 residues pruned to eliminate duplicates Z: 70 57.653 2.182 0.772 0.708 0.971 0.725 CB 1.530 70 residues pruned to eliminate duplicates Z: 6 4.364 1.571 0.795 0.459 0.600 0.400 O 1.202 Z: 18 23.880 1.846 0.865 0.854 1.000 0.647 CB 1.242 16 residues pruned to eliminate duplicates Z: 10 10.045 1.670 0.360 0.893 1.000 0.778 CB 1.059 10 residues pruned to eliminate duplicates Z: 17 23.295 1.831 0.795 0.877 0.938 0.875 CA 1.372 17 residues pruned to eliminate duplicates Z: 10 7.253 1.672 0.118 0.880 0.889 0.667 CB 1.054 10 residues pruned to eliminate duplicates Z: 8 20.877 2.184 1.062 0.843 0.857 0.857 CB 1.522 8 residues pruned to eliminate duplicates Z: 7 6.200 2.175 0.517 0.243 0.833 0.333 CB 1.239 7 residues pruned to eliminate duplicates Z: 11 14.162 1.908 0.494 0.875 0.800 0.600 CA 1.428 10 residues pruned to eliminate duplicates Z: 6 5.730 1.658 0.493 0.623 1.000 0.600 CB 0.923 6 residues pruned to eliminate duplicates Z: 26 32.412 2.140 0.499 0.896 0.960 0.760 CB 1.508 26 residues pruned to eliminate duplicates Z: 16 19.208 1.833 0.657 0.898 0.933 0.733 CA 1.251 16 residues pruned to eliminate duplicates Z: 26 25.806 2.022 0.277 0.903 1.000 0.920 CA 1.425 26 residues pruned to eliminate duplicates Z: 11 9.104 1.606 0.548 0.905 0.800 0.500 CB 1.030 11 residues pruned to eliminate duplicates Z: 15 30.678 2.200 0.730 0.816 1.000 0.643 CB 1.637 15 residues pruned to eliminate duplicates Z: 26 34.284 2.039 0.835 0.925 0.960 0.760 CB 1.340 26 residues pruned to eliminate duplicates Z: 13 16.199 1.853 0.743 0.904 1.000 0.917 CB 1.031 13 residues pruned to eliminate duplicates Z: 14 24.985 2.046 1.023 0.924 1.000 0.846 CB 1.176 14 residues pruned to eliminate duplicates Z: 19 25.013 2.097 0.631 0.940 1.000 0.833 CA 1.197 19 residues pruned to eliminate duplicates Z: 12 6.815 2.006 0.324 0.241 0.636 0.364 CA 1.640 12 residues pruned to eliminate duplicates Z: 8 9.775 2.081 0.286 0.711 0.857 0.714 CB 1.331 8 residues pruned to eliminate duplicates Z: 18 39.505 2.240 0.900 0.884 1.000 0.941 CA 1.627 18 residues pruned to eliminate duplicates Z: 26 15.994 1.745 0.604 0.562 0.840 0.520 CB 1.282 16 residues pruned to eliminate duplicates Z: 11 14.672 1.925 0.375 0.821 1.000 0.700 CA 1.327 11 residues pruned to eliminate duplicates Z: 22 28.900 2.023 0.767 0.881 1.000 0.762 CA 1.278 22 residues pruned to eliminate duplicates Z: 29 25.684 2.006 0.382 0.838 0.964 0.786 CB 1.356 29 residues pruned to eliminate duplicates Z: 13 18.481 1.869 0.879 0.831 0.917 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 26 34.932 2.072 0.848 0.916 0.960 0.680 CB 1.343 26 residues pruned to eliminate duplicates Z: 26 26.355 2.053 0.424 0.903 1.000 0.880 CB 1.285 26 residues pruned to eliminate duplicates Z: 14 41.487 2.314 1.121 0.943 1.000 0.692 CB 1.624 14 residues pruned to eliminate duplicates Z: 14 19.053 1.896 0.533 0.855 1.000 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 33 28.904 2.097 0.550 0.584 0.906 0.688 CB 1.600 33 residues pruned to eliminate duplicates Z: 43 34.554 2.070 0.955 0.615 0.833 0.500 CB 1.418 43 residues pruned to eliminate duplicates Z: 22 31.410 2.032 1.098 0.834 0.905 0.381 CA 1.332 22 residues pruned to eliminate duplicates Z: 18 20.351 2.048 0.308 0.880 1.000 0.824 CA 1.336 18 residues pruned to eliminate duplicates Z: 11 9.956 1.839 0.793 0.769 0.800 0.600 CB 0.941 11 residues pruned to eliminate duplicates Z: 15 25.755 2.103 0.906 0.704 0.929 0.714 CA 1.537 15 residues pruned to eliminate duplicates Z: 13 11.365 1.473 0.415 0.849 1.000 0.917 CB 1.166 12 residues pruned to eliminate duplicates Z: 18 25.213 1.864 0.994 0.861 0.941 0.824 CB 1.285 18 residues pruned to eliminate duplicates Z: 14 36.853 2.269 1.043 0.918 0.923 0.846 CB 1.684 14 residues pruned to eliminate duplicates Z: 21 24.821 1.996 0.621 0.879 1.000 0.750 CA 1.244 21 residues pruned to eliminate duplicates Z: 12 18.567 1.884 0.729 0.838 0.909 0.545 CB 1.413 13 residues pruned to eliminate duplicates Z: 11 10.533 1.658 0.464 0.906 1.000 0.700 CB 0.976 11 residues pruned to eliminate duplicates Z: 13 19.417 1.914 0.679 0.881 1.000 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 10 17.228 2.009 0.325 0.912 1.000 0.889 CA 1.528 10 residues pruned to eliminate duplicates Z: 24 32.546 2.295 0.536 0.878 0.913 0.826 CA 1.531 24 residues pruned to eliminate duplicates Z: 11 16.316 1.775 0.554 0.900 1.000 1.000 CB 1.336 11 residues pruned to eliminate duplicates Z: 13 8.117 1.864 0.392 0.400 0.833 0.417 CA 1.205 13 residues pruned to eliminate duplicates Z: 13 9.965 1.619 0.276 0.892 1.000 1.000 CA 1.000 13 residues pruned to eliminate duplicates Z: 10 8.106 1.641 0.197 0.836 1.000 0.667 CB 1.029 9 residues pruned to eliminate duplicates Z: 12 22.251 1.932 1.170 0.929 0.909 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 17 20.549 1.920 0.777 0.765 0.938 0.875 CB 1.269 17 residues pruned to eliminate duplicates Z: 14 14.002 1.824 0.634 0.845 0.846 0.462 CB 1.145 14 residues pruned to eliminate duplicates Z: 15 22.078 1.996 0.814 0.864 0.929 0.286 CB 1.287 17 residues pruned to eliminate duplicates Z: 12 18.040 1.926 0.825 0.886 0.909 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 8 7.660 1.769 0.409 0.542 1.000 0.571 CB 1.115 8 residues pruned to eliminate duplicates Z: 10 18.230 1.982 0.482 0.886 1.000 0.778 CB 1.493 10 residues pruned to eliminate duplicates Z: 30 21.803 1.988 0.288 0.787 0.931 0.724 CB 1.319 30 residues pruned to eliminate duplicates Z: 15 29.352 2.264 0.613 0.940 1.000 0.929 CB 1.492 15 residues pruned to eliminate duplicates Z: 22 24.590 2.048 0.725 0.619 0.952 0.714 CB 1.424 22 residues pruned to eliminate duplicates Z: 10 9.981 1.648 0.471 0.910 1.000 1.000 CB 0.973 10 residues pruned to eliminate duplicates Z: 13 17.118 1.940 0.383 0.915 1.000 0.667 CB 1.302 13 residues pruned to eliminate duplicates Z: 14 10.975 1.549 0.877 0.874 0.923 0.462 CB 0.825 14 residues pruned to eliminate duplicates Z: 25 35.195 2.217 0.653 0.924 1.000 0.917 CA 1.377 25 residues pruned to eliminate duplicates Z: 25 35.796 2.191 0.852 0.911 0.875 0.542 CB 1.458 25 residues pruned to eliminate duplicates Z: 13 18.360 1.914 0.590 0.923 1.000 0.583 CB 1.224 13 residues pruned to eliminate duplicates Z: 17 19.717 1.835 0.538 0.849 0.938 0.875 CA 1.380 17 residues pruned to eliminate duplicates Z: 21 34.923 2.059 1.030 0.773 0.950 0.650 CB 1.545 21 residues pruned to eliminate duplicates Z: 9 4.634 1.405 0.640 0.282 0.875 0.500 CA 1.039 Z: 26 30.997 2.064 0.826 0.914 0.920 0.680 CB 1.264 26 residues pruned to eliminate duplicates Z: 9 9.403 1.684 0.265 0.895 1.000 0.625 CB 1.119 9 residues pruned to eliminate duplicates Z: 26 27.451 2.056 0.530 0.907 0.960 0.840 CB 1.292 26 residues pruned to eliminate duplicates Z: 27 26.228 2.000 0.459 0.907 1.000 0.731 CB 1.253 27 residues pruned to eliminate duplicates Z: 30 18.266 2.005 0.413 0.668 0.759 0.655 CB 1.351 30 residues pruned to eliminate duplicates Z: 21 24.828 2.045 0.453 0.922 1.000 0.900 CA 1.314 21 residues pruned to eliminate duplicates Z: 26 27.867 2.157 0.243 0.929 0.960 0.920 CB 1.515 26 residues pruned to eliminate duplicates Z: 11 10.065 1.563 0.645 0.883 1.000 0.600 CB 0.895 11 residues pruned to eliminate duplicates Z: 11 12.574 1.852 0.700 0.835 0.800 0.400 CB 1.182 11 residues pruned to eliminate duplicates Z: 6 4.678 1.450 0.186 0.839 0.800 0.800 CA 1.136 Z: 34 36.739 2.066 0.728 0.783 0.939 0.455 CB 1.486 34 residues pruned to eliminate duplicates Z: 46 42.459 2.169 0.883 0.569 0.978 0.667 CA 1.483 46 residues pruned to eliminate duplicates Z: 12 6.542 1.915 0.043 0.340 0.909 0.727 CA 1.294 13 residues pruned to eliminate duplicates Z: 26 29.109 2.053 0.813 0.915 0.920 0.520 CB 1.202 26 residues pruned to eliminate duplicates Z: 11 18.818 1.894 0.572 0.889 1.000 0.800 CB 1.439 11 residues pruned to eliminate duplicates Z: 16 23.074 2.051 1.129 0.875 0.867 0.600 CA 1.145 16 residues pruned to eliminate duplicates Z: 7 7.336 1.826 0.449 0.545 0.833 0.500 CB 1.299 7 residues pruned to eliminate duplicates Z: 84 65.152 2.225 0.830 0.700 0.952 0.711 CB 1.538 84 residues pruned to eliminate duplicates Z: 14 33.431 2.209 1.337 0.920 0.923 0.692 CA 1.370 14 residues pruned to eliminate duplicates Z: 19 27.377 1.995 0.808 0.859 0.944 0.667 CA 1.394 19 residues pruned to eliminate duplicates Z: 15 17.966 1.943 0.608 0.711 0.929 0.857 CB 1.366 15 residues pruned to eliminate duplicates Z: 13 20.961 1.959 0.524 0.927 1.000 1.000 CB 1.421 13 residues pruned to eliminate duplicates Z: 9 10.615 1.923 0.425 0.856 0.875 0.250 CA 1.154 9 residues pruned to eliminate duplicates 6 0.982 1.548 0.150 0.114 0.600 0.400 CB 0.670 ? Z: 17 24.140 1.842 0.767 0.878 1.000 0.750 CA 1.345 15 residues pruned to eliminate duplicates Z: 6 3.513 1.449 0.761 0.675 0.800 0.400 CB 0.655 6 residues pruned to eliminate duplicates Z: 6 2.679 1.701 0.356 0.199 0.600 0.400 N 1.238 Z: 17 18.554 1.822 0.761 0.854 0.938 0.812 CB 1.139 17 residues pruned to eliminate duplicates Z: 16 40.713 2.157 1.185 0.907 1.000 0.800 CB 1.585 16 residues pruned to eliminate duplicates Z: 36 52.944 2.302 1.105 0.708 1.000 0.514 CB 1.529 36 residues pruned to eliminate duplicates Z: 13 22.419 2.195 0.417 0.939 1.000 1.000 CB 1.447 13 residues pruned to eliminate duplicates Z: 11 7.882 1.580 0.179 0.917 1.000 0.800 CB 0.945 11 residues pruned to eliminate duplicates Z: 17 9.889 1.846 0.308 0.667 0.750 0.312 CB 1.169 17 residues pruned to eliminate duplicates Z: 7 2.135 1.436 0.370 0.247 0.500 0.333 N 1.186 Z: 34 13.676 1.677 0.615 0.421 0.788 0.303 CB 1.212 34 residues pruned to eliminate duplicates Z: 32 33.196 2.087 0.650 0.757 0.968 0.774 CA 1.424 32 residues pruned to eliminate duplicates Z: 26 30.861 2.182 0.312 0.911 1.000 0.840 CB 1.528 26 residues pruned to eliminate duplicates Z: 10 9.626 1.641 0.297 0.903 1.000 0.778 CB 1.075 10 residues pruned to eliminate duplicates Z: 16 19.635 1.939 0.801 0.702 0.933 0.867 CB 1.294 16 residues pruned to eliminate duplicates Z: 22 15.384 1.883 0.516 0.582 0.857 0.619 CB 1.268 22 residues pruned to eliminate duplicates Z: 15 28.212 2.210 1.163 0.879 0.929 0.786 CA 1.232 15 residues pruned to eliminate duplicates Z: 9 3.487 1.404 0.335 0.349 0.750 0.375 CB 1.034 Z: 6 3.024 1.457 0.263 0.490 0.800 0.800 C 0.928 Z: 7 8.358 1.773 0.569 0.867 1.000 0.667 CA 0.898 7 residues pruned to eliminate duplicates Z: 19 28.300 2.035 1.029 0.903 0.944 0.611 CA 1.218 19 residues pruned to eliminate duplicates Z: 33 41.871 2.191 1.096 0.600 0.906 0.562 CA 1.617 33 residues pruned to eliminate duplicates Z: 28 9.891 1.644 0.294 0.432 0.852 0.519 CB 1.127 28 residues pruned to eliminate duplicates Z: 13 10.689 1.615 0.814 0.854 0.917 0.583 CB 0.849 13 residues pruned to eliminate duplicates Z: 12 10.048 1.963 0.297 0.405 0.909 0.636 CB 1.447 12 residues pruned to eliminate duplicates Z: 23 19.253 1.906 0.613 0.652 0.864 0.636 CB 1.342 23 residues pruned to eliminate duplicates Z: 16 24.827 1.920 0.795 0.916 0.933 0.867 CB 1.408 16 residues pruned to eliminate duplicates Z: 14 16.451 1.889 0.657 0.894 0.923 0.462 CB 1.133 14 residues pruned to eliminate duplicates Z: 40 30.832 1.871 0.858 0.790 0.974 0.744 CB 1.130 44 residues pruned to eliminate duplicates Z: 15 36.241 2.234 1.060 0.847 0.929 0.643 CB 1.683 15 residues pruned to eliminate duplicates Z: 42 44.553 2.223 0.716 0.654 1.000 0.707 CA 1.580 42 residues pruned to eliminate duplicates Z: 14 32.903 2.178 1.171 0.874 0.923 0.692 CA 1.521 14 residues pruned to eliminate duplicates Z: 38 15.108 1.717 0.469 0.572 0.865 0.541 CB 1.062 32 residues pruned to eliminate duplicates Z: 7 2.844 1.400 -0.053 0.596 1.000 0.833 CB 0.799 7 residues pruned to eliminate duplicates Z: 11 19.090 1.905 0.999 0.873 1.000 0.500 CB 1.155 11 residues pruned to eliminate duplicates Z: 18 41.292 2.284 1.116 0.933 0.941 0.882 CA 1.536 18 residues pruned to eliminate duplicates Z: 6 3.970 1.642 0.132 0.568 0.800 0.400 CB 1.117 4 residues pruned to eliminate duplicates Z: 15 29.968 2.000 1.230 0.902 1.000 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 18 31.944 2.215 0.839 0.710 0.941 0.824 CB 1.669 18 residues pruned to eliminate duplicates Z: 6 11.262 1.907 0.496 0.707 1.000 1.000 CA 1.463 6 residues pruned to eliminate duplicates Z: 30 11.886 1.765 0.275 0.545 0.897 0.552 CB 1.048 30 residues pruned to eliminate duplicates Z: 6 5.783 1.631 0.718 0.629 1.000 0.600 CB 0.818 6 residues pruned to eliminate duplicates Z: 13 7.769 1.701 0.679 0.347 0.750 0.417 CA 1.237 13 residues pruned to eliminate duplicates Z: 33 28.841 2.037 0.690 0.692 0.938 0.750 CB 1.326 33 residues pruned to eliminate duplicates Z: 39 44.574 2.255 0.821 0.647 0.974 0.763 CA 1.577 39 residues pruned to eliminate duplicates Z: 26 35.588 2.036 0.969 0.933 0.960 0.640 CB 1.291 26 residues pruned to eliminate duplicates Z: 12 19.945 1.982 0.908 0.897 1.000 0.727 CA 1.138 12 residues pruned to eliminate duplicates Z: 12 18.077 1.784 0.667 0.841 1.000 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 7 6.127 1.534 0.249 0.805 1.000 0.833 CB 1.000 7 residues pruned to eliminate duplicates Z: 13 9.453 1.611 0.523 0.852 0.917 0.833 CB 0.898 13 residues pruned to eliminate duplicates Z: 13 32.892 2.251 1.463 0.931 0.917 0.500 CB 1.305 13 residues pruned to eliminate duplicates Z: 37 31.366 1.960 0.780 0.761 0.972 0.778 CB 1.223 40 residues pruned to eliminate duplicates Z: 11 18.504 2.069 0.610 0.831 1.000 0.900 CA 1.320 11 residues pruned to eliminate duplicates Z: 31 24.518 2.106 0.354 0.682 0.933 0.667 CA 1.423 31 residues pruned to eliminate duplicates Z: 9 9.009 1.737 0.222 0.883 1.000 0.625 CB 1.084 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 19.259 2.018 0.462 0.887 1.000 0.889 CA 1.568 10 residues pruned to eliminate duplicates Z: 10 20.899 1.943 0.671 0.909 1.000 0.889 CA 1.523 10 residues pruned to eliminate duplicates Z: 11 16.483 1.918 0.509 0.802 0.900 0.700 CB 1.537 11 residues pruned to eliminate duplicates Z: 13 13.399 1.788 0.491 0.737 0.917 0.667 CB 1.279 13 residues pruned to eliminate duplicates Z: 10 16.490 2.024 0.398 0.902 0.889 0.889 CA 1.559 10 residues pruned to eliminate duplicates Z: 12 13.280 1.809 0.555 0.719 0.818 0.545 CA 1.426 12 residues pruned to eliminate duplicates Z: 12 14.553 1.844 0.604 0.761 0.818 0.545 CB 1.439 12 residues pruned to eliminate duplicates Z: 11 15.944 1.904 0.599 0.792 0.900 0.600 CA 1.424 11 residues pruned to eliminate duplicates Z: 12 6.371 1.617 0.221 0.496 0.909 0.636 CB 1.074 12 residues pruned to eliminate duplicates Z: 9 2.416 1.348 0.362 0.251 0.625 0.375 CB 0.991 15 residues pruned to eliminate duplicates Z: 18 41.806 2.172 1.184 0.901 1.000 0.647 CB 1.525 18 residues pruned to eliminate duplicates Z: 57 48.866 2.024 0.874 0.749 0.982 0.732 CB 1.404 57 residues pruned to eliminate duplicates Z: 26 27.573 1.955 1.195 0.593 0.880 0.680 CB 1.336 18 residues pruned to eliminate duplicates Z: 19 31.712 2.164 0.971 0.785 0.833 0.667 CB 1.638 27 residues pruned to eliminate duplicates Z: 18 41.263 2.189 0.942 0.919 1.000 0.647 CA 1.659 18 residues pruned to eliminate duplicates Z: 60 46.635 2.017 0.833 0.727 0.983 0.797 CB 1.362 60 residues pruned to eliminate duplicates Z: 21 35.768 2.072 1.203 0.711 0.900 0.650 CB 1.608 18 residues pruned to eliminate duplicates Z: 17 52.758 2.293 1.303 0.945 1.000 0.938 CA 1.728 20 residues pruned to eliminate duplicates Z: 17 46.362 2.288 1.146 0.933 1.000 0.875 CA 1.648 17 residues pruned to eliminate duplicates Z: 57 49.154 2.033 0.820 0.747 1.000 0.857 CB 1.423 57 residues pruned to eliminate duplicates Z: 57 46.277 2.023 0.827 0.758 0.964 0.804 CB 1.379 57 residues pruned to eliminate duplicates Z: 52 47.383 2.091 0.802 0.736 0.980 0.765 CB 1.453 52 residues pruned to eliminate duplicates Z: 54 51.061 2.084 0.838 0.776 0.981 0.811 CA 1.462 54 residues pruned to eliminate duplicates Z: 55 49.391 2.064 0.774 0.768 1.000 0.815 CB 1.448 55 residues pruned to eliminate duplicates Z: 53 51.041 2.084 0.845 0.801 0.981 0.865 CA 1.443 53 residues pruned to eliminate duplicates Z: 53 52.828 2.104 0.895 0.799 0.962 0.788 CA 1.471 53 residues pruned to eliminate duplicates Z: 29 42.351 2.205 0.871 0.855 0.964 0.857 CA 1.484 29 residues pruned to eliminate duplicates Z: 49 42.659 2.067 0.718 0.738 0.979 0.833 CB 1.430 49 residues pruned to eliminate duplicates Z: 56 49.031 2.017 0.774 0.811 1.000 0.855 CB 1.409 54 residues pruned to eliminate duplicates Z: 13 12.708 1.819 0.275 0.818 1.000 0.750 CA 1.200 13 residues pruned to eliminate duplicates Z: 60 46.924 1.990 0.770 0.760 1.000 0.847 CB 1.377 60 residues pruned to eliminate duplicates Z: 59 48.700 2.027 0.842 0.748 0.983 0.828 CB 1.397 59 residues pruned to eliminate duplicates Z: 56 46.922 2.057 0.774 0.754 0.964 0.782 CA 1.435 56 residues pruned to eliminate duplicates Z: 54 51.350 2.079 0.852 0.773 1.000 0.792 CA 1.439 54 residues pruned to eliminate duplicates Z: 12 19.236 2.036 0.978 0.852 0.909 0.909 CA 1.172 12 residues pruned to eliminate duplicates Z: 55 48.246 2.052 0.852 0.762 0.963 0.833 CB 1.423 55 residues pruned to eliminate duplicates Z: 53 51.522 2.096 0.849 0.795 0.981 0.808 CB 1.452 53 residues pruned to eliminate duplicates Z: 57 45.097 2.037 0.709 0.739 0.982 0.821 CA 1.422 57 residues pruned to eliminate duplicates Z: 15 28.075 2.077 1.068 0.856 0.929 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 55 46.580 2.049 0.783 0.766 0.963 0.815 CA 1.423 55 residues pruned to eliminate duplicates Z: 53 51.572 2.100 0.829 0.798 1.000 0.808 CA 1.434 53 residues pruned to eliminate duplicates Z: 14 27.182 2.100 1.048 0.925 0.923 0.923 CB 1.333 14 residues pruned to eliminate duplicates Z: 54 45.704 2.027 0.899 0.758 0.925 0.736 CB 1.402 54 residues pruned to eliminate duplicates Z: 55 49.472 2.072 0.796 0.772 0.981 0.833 CB 1.450 55 residues pruned to eliminate duplicates Z: 50 44.166 1.987 0.916 0.726 0.959 0.776 CA 1.410 50 residues pruned to eliminate duplicates Z: 55 49.374 2.065 0.783 0.784 0.981 0.833 CB 1.448 55 residues pruned to eliminate duplicates Z: 54 41.697 2.037 0.700 0.709 0.962 0.774 CB 1.422 54 residues pruned to eliminate duplicates Z: 52 40.777 2.027 0.727 0.705 0.941 0.745 CB 1.437 52 residues pruned to eliminate duplicates Z: 56 50.669 2.042 0.903 0.762 1.000 0.764 CB 1.394 56 residues pruned to eliminate duplicates Z: 57 49.469 2.054 0.808 0.756 1.000 0.768 CB 1.418 57 residues pruned to eliminate duplicates Z: 55 49.064 2.071 0.792 0.769 1.000 0.833 CB 1.417 55 residues pruned to eliminate duplicates Z: 55 43.178 2.022 0.717 0.763 1.000 0.704 CB 1.340 55 residues pruned to eliminate duplicates Z: 55 49.072 2.052 0.890 0.760 0.981 0.796 CB 1.392 53 residues pruned to eliminate duplicates Z: 13 13.029 1.658 0.651 0.870 1.000 0.833 CB 1.003 13 residues pruned to eliminate duplicates Z: 27 28.534 1.939 1.026 0.720 0.962 0.500 CB 1.215 27 residues pruned to eliminate duplicates Z: 55 49.664 2.071 0.853 0.772 0.981 0.815 CB 1.410 55 residues pruned to eliminate duplicates Z: 13 11.317 1.612 0.587 0.854 0.917 0.750 CB 1.029 13 residues pruned to eliminate duplicates Z: 55 49.563 2.050 0.884 0.786 0.981 0.778 CB 1.384 55 residues pruned to eliminate duplicates Z: 51 54.896 2.128 0.905 0.829 1.000 0.780 CB 1.441 51 residues pruned to eliminate duplicates Z: 14 17.970 2.059 0.458 0.646 0.923 0.692 CB 1.569 14 residues pruned to eliminate duplicates Z: 25 13.281 1.744 0.620 0.428 0.875 0.500 CB 1.182 26 residues pruned to eliminate duplicates Z: 8 4.984 1.442 0.396 0.469 1.000 0.286 CA 0.966 8 residues pruned to eliminate duplicates Z: 11 11.371 1.836 0.550 0.462 0.900 0.500 CB 1.459 11 residues pruned to eliminate duplicates Z: 19 16.364 1.993 0.725 0.418 0.944 0.500 CA 1.294 19 residues pruned to eliminate duplicates Z: 19 15.806 1.868 0.797 0.411 0.889 0.556 CA 1.371 19 residues pruned to eliminate duplicates Z: 14 20.830 2.055 0.696 0.592 0.923 0.692 CB 1.643 14 residues pruned to eliminate duplicates Z: 17 18.554 2.019 0.797 0.503 0.812 0.500 CB 1.568 17 residues pruned to eliminate duplicates Z: 25 24.360 2.067 0.745 0.465 0.958 0.708 CA 1.491 25 residues pruned to eliminate duplicates Z: 59 43.194 2.099 0.680 0.622 0.948 0.724 CB 1.511 59 residues pruned to eliminate duplicates Z: 15 17.225 1.952 0.645 0.575 0.929 0.714 CB 1.437 15 residues pruned to eliminate duplicates Z: 58 55.129 2.235 0.784 0.693 0.965 0.667 CB 1.590 58 residues pruned to eliminate duplicates Z: 58 60.549 2.268 0.849 0.690 0.965 0.684 CB 1.667 58 residues pruned to eliminate duplicates Z: 45 57.393 2.300 0.877 0.751 0.977 0.682 CB 1.639 45 residues pruned to eliminate duplicates Z: 34 39.657 2.288 0.658 0.696 0.970 0.697 CB 1.570 34 residues pruned to eliminate duplicates Z: 45 54.079 2.307 0.749 0.747 0.977 0.750 CB 1.658 45 residues pruned to eliminate duplicates Z: 19 30.294 2.267 0.838 0.637 0.944 0.667 CB 1.596 19 residues pruned to eliminate duplicates Z: 46 46.510 2.268 0.680 0.707 0.889 0.756 CB 1.696 46 residues pruned to eliminate duplicates Z: 46 49.851 2.288 0.691 0.735 0.933 0.778 CB 1.666 46 residues pruned to eliminate duplicates Z: 30 22.095 2.111 0.549 0.515 0.897 0.586 CB 1.379 30 residues pruned to eliminate duplicates Z: 38 42.541 2.243 0.712 0.700 0.973 0.757 CB 1.560 38 residues pruned to eliminate duplicates Z: 50 44.232 2.197 0.699 0.695 0.959 0.735 CB 1.477 50 residues pruned to eliminate duplicates Z: 45 50.782 2.310 0.716 0.733 0.932 0.773 CB 1.682 45 residues pruned to eliminate duplicates Z: 24 35.051 2.268 0.778 0.625 0.957 0.435 CB 1.685 24 residues pruned to eliminate duplicates Z: 45 53.396 2.317 0.749 0.741 0.955 0.705 CB 1.677 45 residues pruned to eliminate duplicates Z: 26 24.819 2.179 0.729 0.484 0.840 0.600 CB 1.594 26 residues pruned to eliminate duplicates Z: 24 24.219 2.141 0.658 0.531 0.957 0.565 CB 1.443 24 residues pruned to eliminate duplicates Z: 32 35.456 2.278 0.633 0.692 0.935 0.774 CB 1.536 32 residues pruned to eliminate duplicates Z: 45 51.211 2.302 0.817 0.710 0.932 0.773 CB 1.638 45 residues pruned to eliminate duplicates Z: 34 47.536 2.306 0.833 0.723 1.000 0.576 CB 1.600 34 residues pruned to eliminate duplicates Z: 58 58.597 2.279 0.821 0.689 0.930 0.719 CB 1.692 58 residues pruned to eliminate duplicates Z: 45 55.807 2.316 0.836 0.734 0.932 0.659 CB 1.720 45 residues pruned to eliminate duplicates Z: 35 41.202 2.265 0.801 0.673 0.941 0.676 CB 1.568 35 residues pruned to eliminate duplicates Z: 27 54.276 2.354 1.072 0.824 0.962 0.615 CB 1.714 25 residues pruned to eliminate duplicates Z: 22 40.233 2.438 0.425 0.936 1.000 0.905 CA 1.759 22 residues pruned to eliminate duplicates Z: 48 49.584 2.264 0.814 0.704 0.915 0.702 CB 1.598 48 residues pruned to eliminate duplicates Z: 46 58.035 2.313 0.874 0.744 0.978 0.667 CB 1.641 46 residues pruned to eliminate duplicates Z: 45 56.537 2.321 0.838 0.734 0.932 0.818 CB 1.737 45 residues pruned to eliminate duplicates Z: 34 44.037 2.256 0.838 0.690 0.970 0.697 CB 1.602 34 residues pruned to eliminate duplicates Z: 31 42.247 2.245 0.853 0.761 0.933 0.767 CB 1.576 31 residues pruned to eliminate duplicates Z: 50 54.539 2.230 0.956 0.677 0.980 0.592 CB 1.549 50 residues pruned to eliminate duplicates Z: 51 46.086 2.211 0.951 0.669 0.860 0.600 CB 1.503 51 residues pruned to eliminate duplicates Z: 58 58.822 2.256 0.882 0.695 0.965 0.702 CB 1.592 58 residues pruned to eliminate duplicates Z: 46 62.547 2.305 1.047 0.736 0.978 0.667 CB 1.635 46 residues pruned to eliminate duplicates Z: 26 57.844 2.369 1.268 0.868 0.960 0.520 CB 1.639 26 residues pruned to eliminate duplicates Z: 13 40.650 2.305 1.130 0.904 1.000 0.750 CA 1.703 13 residues pruned to eliminate duplicates Z: 27 58.830 2.320 1.370 0.877 0.962 0.346 CB 1.585 26 residues pruned to eliminate duplicates Z: 26 56.091 2.244 1.179 0.937 1.000 0.720 CB 1.597 26 residues pruned to eliminate duplicates Z: 44 57.240 2.298 0.988 0.742 0.953 0.558 CB 1.614 44 residues pruned to eliminate duplicates Z: 58 59.746 2.255 0.940 0.679 0.930 0.544 CB 1.649 58 residues pruned to eliminate duplicates Z: 50 60.845 2.242 1.068 0.708 0.959 0.510 CB 1.618 50 residues pruned to eliminate duplicates Z: 46 57.259 2.292 0.966 0.734 0.956 0.489 CB 1.606 46 residues pruned to eliminate duplicates Z: 33 53.092 2.300 1.118 0.701 0.969 0.406 CB 1.656 34 residues pruned to eliminate duplicates Z: 21 46.713 2.279 1.384 0.816 0.900 0.600 CA 1.624 21 residues pruned to eliminate duplicates Z: 37 15.758 1.710 0.525 0.580 0.806 0.444 CB 1.157 37 residues pruned to eliminate duplicates Z: 42 18.735 1.745 0.517 0.627 0.878 0.537 CB 1.117 42 residues pruned to eliminate duplicates Z: 23 14.746 1.893 0.495 0.541 0.818 0.500 CB 1.304 23 residues pruned to eliminate duplicates Z: 44 14.862 1.731 0.419 0.532 0.837 0.465 CB 1.068 44 residues pruned to eliminate duplicates Z: 24 14.723 1.873 0.476 0.511 0.870 0.391 CB 1.263 24 residues pruned to eliminate duplicates Z: 35 18.977 1.764 0.592 0.591 0.941 0.441 CB 1.129 35 residues pruned to eliminate duplicates Z: 23 15.910 1.898 0.594 0.574 0.864 0.636 CB 1.208 23 residues pruned to eliminate duplicates Z: 22 14.804 1.892 0.501 0.565 0.810 0.524 CB 1.319 22 residues pruned to eliminate duplicates Z: 22 15.834 1.886 0.528 0.597 0.905 0.667 CB 1.207 22 residues pruned to eliminate duplicates Z: 22 16.224 1.894 0.565 0.572 0.857 0.619 CB 1.300 22 residues pruned to eliminate duplicates Z: 39 16.533 1.703 0.544 0.583 0.921 0.579 CB 1.023 39 residues pruned to eliminate duplicates Z: 23 14.289 1.823 0.572 0.564 0.864 0.545 CB 1.157 23 residues pruned to eliminate duplicates Z: 37 16.981 1.745 0.508 0.557 0.917 0.472 CB 1.110 37 residues pruned to eliminate duplicates Z: 35 14.951 1.761 0.492 0.600 0.765 0.471 CB 1.161 35 residues pruned to eliminate duplicates Z: 26 13.251 1.744 0.471 0.684 0.840 0.400 CB 1.039 26 residues pruned to eliminate duplicates Z: 24 12.461 1.833 0.552 0.488 0.826 0.565 CB 1.120 24 residues pruned to eliminate duplicates Z: 37 16.760 1.728 0.555 0.567 0.861 0.583 CB 1.131 37 residues pruned to eliminate duplicates Z: 24 15.848 1.864 0.519 0.521 0.913 0.348 CB 1.253 24 residues pruned to eliminate duplicates Z: 36 18.264 1.770 0.545 0.611 0.914 0.571 CB 1.112 36 residues pruned to eliminate duplicates Z: 10 7.689 1.672 0.754 0.642 0.778 0.556 CB 0.983 10 residues pruned to eliminate duplicates Z: 37 15.245 1.753 0.492 0.504 0.861 0.556 CB 1.124 37 residues pruned to eliminate duplicates Z: 35 16.920 1.791 0.522 0.611 0.853 0.500 CB 1.123 35 residues pruned to eliminate duplicates Z: 35 13.987 1.748 0.330 0.517 0.941 0.382 CB 1.078 35 residues pruned to eliminate duplicates Z: 34 13.424 1.743 0.423 0.492 0.879 0.394 CB 1.080 34 residues pruned to eliminate duplicates Z: 12 6.715 1.605 0.320 0.630 1.000 0.455 CB 0.845 12 residues pruned to eliminate duplicates Z: 33 14.022 1.787 0.319 0.551 0.906 0.469 CB 1.104 33 residues pruned to eliminate duplicates Z: 15 9.092 1.607 0.574 0.614 1.000 0.357 CB 0.863 15 residues pruned to eliminate duplicates Z: 16 8.813 1.579 0.375 0.552 1.000 0.267 CB 0.996 16 residues pruned to eliminate duplicates Z: 14 6.697 1.648 0.439 0.577 0.846 0.462 CB 0.860 14 residues pruned to eliminate duplicates Z: 18 10.407 1.632 0.282 0.733 1.000 0.706 CB 0.979 18 residues pruned to eliminate duplicates Z: 15 9.364 1.533 0.693 0.552 0.929 0.571 CB 0.987 15 residues pruned to eliminate duplicates Z: 14 6.274 1.547 0.397 0.562 0.923 0.385 CB 0.822 14 residues pruned to eliminate duplicates Z: 18 8.761 1.616 0.346 0.706 0.882 0.824 CB 0.919 18 residues pruned to eliminate duplicates Z: 24 9.992 1.563 0.353 0.576 0.957 0.478 CB 0.957 24 residues pruned to eliminate duplicates Z: 37 16.677 1.759 0.497 0.597 0.889 0.583 CB 1.083 37 residues pruned to eliminate duplicates Z: 17 12.379 1.651 0.562 0.738 1.000 0.625 CB 0.970 17 residues pruned to eliminate duplicates Z: 24 9.806 1.639 0.342 0.584 0.870 0.609 CB 0.986 24 residues pruned to eliminate duplicates Z: 21 11.044 1.651 0.370 0.634 0.950 0.750 CB 1.014 21 residues pruned to eliminate duplicates Z: 12 4.671 1.666 -0.007 0.501 0.818 0.455 CB 1.040 12 residues pruned to eliminate duplicates Z: 11 6.259 1.725 0.095 0.507 1.000 0.500 CB 1.041 11 residues pruned to eliminate duplicates Z: 24 9.984 1.657 0.319 0.550 0.913 0.609 CB 0.994 24 residues pruned to eliminate duplicates Z: 37 15.900 1.722 0.432 0.546 0.889 0.583 CB 1.156 43 residues pruned to eliminate duplicates Z: 6 4.036 1.787 0.130 0.434 1.000 0.400 CB 0.957 6 residues pruned to eliminate duplicates Z: 24 8.635 1.617 0.204 0.484 0.913 0.435 CB 1.029 24 residues pruned to eliminate duplicates Z: 21 14.766 1.867 0.523 0.498 0.800 0.550 CB 1.455 21 residues pruned to eliminate duplicates Z: 26 16.608 1.773 0.556 0.469 0.880 0.480 CB 1.413 22 residues pruned to eliminate duplicates Z: 12 13.486 1.887 0.882 0.603 0.727 0.455 CB 1.427 12 residues pruned to eliminate duplicates Z: 18 12.926 1.787 0.692 0.478 0.765 0.471 CB 1.387 18 residues pruned to eliminate duplicates Z: 20 15.855 1.782 0.544 0.497 0.895 0.632 CB 1.482 20 residues pruned to eliminate duplicates Z: 17 22.724 1.883 0.759 0.671 1.000 0.500 CB 1.464 18 residues pruned to eliminate duplicates Z: 12 21.625 2.000 0.681 0.832 0.909 0.636 CB 1.601 12 residues pruned to eliminate duplicates Z: 18 18.296 1.821 0.622 0.646 0.941 0.647 CB 1.394 18 residues pruned to eliminate duplicates Z: 21 15.665 1.821 0.644 0.573 0.850 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 15 28.471 1.981 0.988 0.705 1.000 0.786 CB 1.603 15 residues pruned to eliminate duplicates Z: 24 17.115 1.803 0.461 0.531 0.957 0.609 CB 1.373 24 residues pruned to eliminate duplicates Z: 16 21.531 1.897 0.817 0.718 0.933 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 18 21.601 1.920 0.758 0.629 1.000 0.588 CB 1.375 18 residues pruned to eliminate duplicates Z: 20 18.642 1.810 0.854 0.577 0.947 0.579 CB 1.249 20 residues pruned to eliminate duplicates Z: 16 24.786 1.905 1.152 0.692 0.933 0.600 CB 1.403 16 residues pruned to eliminate duplicates Z: 10 8.635 1.656 0.142 0.826 1.000 0.778 CB 1.148 10 residues pruned to eliminate duplicates Z: 10 9.777 1.657 0.259 0.783 1.000 0.889 CB 1.218 10 residues pruned to eliminate duplicates Z: 8 10.438 1.765 0.238 0.894 1.000 0.857 CB 1.296 8 residues pruned to eliminate duplicates Z: 9 8.717 1.718 0.104 0.906 1.000 1.000 CB 1.156 9 residues pruned to eliminate duplicates Z: 9 11.240 1.681 0.442 0.804 1.000 0.625 CB 1.257 9 residues pruned to eliminate duplicates Z: 10 9.174 1.676 0.310 0.859 1.000 0.778 CB 1.026 10 residues pruned to eliminate duplicates Z: 9 8.279 1.735 0.193 0.875 1.000 0.750 CB 1.029 9 residues pruned to eliminate duplicates Z: 38 28.507 2.052 0.428 0.717 0.919 0.838 CB 1.430 38 residues pruned to eliminate duplicates Z: 36 29.090 2.070 0.284 0.757 0.971 0.771 CB 1.515 36 residues pruned to eliminate duplicates Z: 37 27.929 2.023 0.358 0.716 0.917 0.722 CB 1.520 37 residues pruned to eliminate duplicates Z: 39 26.950 2.049 0.361 0.702 0.921 0.737 CB 1.416 39 residues pruned to eliminate duplicates Z: 41 32.299 1.984 0.524 0.691 0.950 0.725 CB 1.492 41 residues pruned to eliminate duplicates Z: 37 28.692 2.083 0.390 0.740 0.917 0.722 CB 1.454 36 residues pruned to eliminate duplicates Z: 27 31.697 2.108 0.422 0.906 0.962 0.769 CB 1.533 27 residues pruned to eliminate duplicates Z: 30 26.774 2.098 0.324 0.841 0.966 0.793 CB 1.382 30 residues pruned to eliminate duplicates Z: 29 32.125 2.102 0.501 0.862 0.964 0.750 CB 1.465 28 residues pruned to eliminate duplicates Z: 17 24.313 2.212 0.208 0.928 0.938 0.750 CA 1.699 17 residues pruned to eliminate duplicates Z: 37 31.726 2.036 0.424 0.762 0.944 0.694 CA 1.530 37 residues pruned to eliminate duplicates Z: 27 33.016 2.150 0.472 0.881 0.962 0.731 CB 1.541 27 residues pruned to eliminate duplicates Z: 37 28.448 2.098 0.430 0.746 0.917 0.778 CB 1.384 37 residues pruned to eliminate duplicates Z: 34 28.736 2.165 0.384 0.720 0.879 0.727 CB 1.557 34 residues pruned to eliminate duplicates Z: 38 33.366 2.038 0.644 0.658 0.946 0.649 CB 1.495 38 residues pruned to eliminate duplicates Z: 36 32.445 2.084 0.630 0.733 0.914 0.543 CB 1.432 36 residues pruned to eliminate duplicates Z: 29 34.654 2.139 0.709 0.858 0.929 0.643 CB 1.421 29 residues pruned to eliminate duplicates Z: 27 34.764 2.160 0.805 0.869 0.885 0.538 CB 1.444 27 residues pruned to eliminate duplicates Z: 35 36.146 2.109 0.842 0.731 0.941 0.529 CB 1.377 35 residues pruned to eliminate duplicates Z: 69 51.564 2.159 0.887 0.658 0.882 0.544 CB 1.502 69 residues pruned to eliminate duplicates Z: 35 40.371 2.140 0.804 0.747 0.971 0.559 CB 1.482 35 residues pruned to eliminate duplicates Z: 35 37.947 2.061 0.876 0.744 0.941 0.559 CB 1.438 35 residues pruned to eliminate duplicates Z: 35 41.865 2.108 0.827 0.729 0.971 0.529 CB 1.564 35 residues pruned to eliminate duplicates Z: 29 39.422 2.132 0.954 0.857 0.929 0.536 CB 1.419 29 residues pruned to eliminate duplicates Z: 35 36.465 2.145 0.681 0.747 0.912 0.647 CB 1.526 35 residues pruned to eliminate duplicates Z: 34 36.890 2.140 0.709 0.787 0.939 0.606 CB 1.452 34 residues pruned to eliminate duplicates Z: 36 38.324 2.040 0.965 0.718 0.914 0.343 CB 1.451 36 residues pruned to eliminate duplicates Z: 35 38.255 2.117 0.866 0.741 0.941 0.588 CB 1.422 35 residues pruned to eliminate duplicates Z: 34 38.677 2.120 0.789 0.766 0.939 0.515 CB 1.493 34 residues pruned to eliminate duplicates Z: 94 65.129 2.159 0.841 0.681 0.946 0.462 CB 1.521 95 residues pruned to eliminate duplicates Z: 7 6.187 1.663 0.502 0.441 1.000 0.667 C 1.074 7 residues pruned to eliminate duplicates Z: 7 4.135 1.861 0.727 0.218 0.667 0.167 CB 1.097 7 residues pruned to eliminate duplicates Z: 65 55.156 2.215 0.874 0.659 0.922 0.578 CB 1.555 65 residues pruned to eliminate duplicates Z: 36 36.963 2.107 0.921 0.713 0.914 0.571 CB 1.392 36 residues pruned to eliminate duplicates Z: 38 41.881 2.259 0.980 0.513 0.946 0.568 CB 1.607 38 residues pruned to eliminate duplicates Z: 70 54.200 2.169 0.853 0.631 0.942 0.522 CB 1.524 70 residues pruned to eliminate duplicates Z: 32 39.298 2.284 0.889 0.568 0.903 0.613 CA 1.697 32 residues pruned to eliminate duplicates Z: 34 37.337 2.163 1.108 0.533 0.939 0.636 CB 1.468 34 residues pruned to eliminate duplicates Z: 30 43.801 2.365 0.864 0.578 1.000 0.621 CA 1.712 30 residues pruned to eliminate duplicates Z: 105 71.888 2.171 0.853 0.700 0.962 0.683 CB 1.518 105 residues pruned to eliminate duplicates Z: 28 36.296 2.276 0.743 0.643 0.963 0.630 CA 1.600 28 residues pruned to eliminate duplicates Z: 88 58.192 2.103 0.835 0.634 0.954 0.701 CB 1.494 83 residues pruned to eliminate duplicates Z: 6 4.205 2.014 0.398 0.316 1.000 0.600 CA 0.818 6 residues pruned to eliminate duplicates Z: 33 41.519 2.217 0.886 0.591 1.000 0.656 CB 1.608 33 residues pruned to eliminate duplicates Z: 71 53.829 2.156 0.697 0.691 0.971 0.729 CB 1.520 71 residues pruned to eliminate duplicates Z: 68 60.868 2.209 0.833 0.699 0.970 0.776 CA 1.580 68 residues pruned to eliminate duplicates Z: 70 59.078 2.186 0.855 0.673 0.957 0.681 CA 1.564 70 residues pruned to eliminate duplicates Z: 67 63.045 2.200 0.850 0.716 0.985 0.727 CA 1.593 67 residues pruned to eliminate duplicates Z: 66 58.311 2.195 0.803 0.734 0.938 0.723 CB 1.578 66 residues pruned to eliminate duplicates Z: 35 40.645 2.193 0.938 0.588 0.941 0.618 CA 1.602 35 residues pruned to eliminate duplicates Z: 71 55.173 2.172 0.799 0.674 0.957 0.714 CA 1.502 71 residues pruned to eliminate duplicates Z: 32 37.867 2.268 0.730 0.567 1.000 0.710 CA 1.624 32 residues pruned to eliminate duplicates Z: 69 52.716 2.166 0.737 0.694 0.941 0.779 CA 1.511 69 residues pruned to eliminate duplicates Z: 55 61.624 2.267 0.963 0.737 0.981 0.796 CA 1.552 55 residues pruned to eliminate duplicates Z: 71 59.142 2.194 0.861 0.685 0.971 0.771 CA 1.504 71 residues pruned to eliminate duplicates Z: 65 60.601 2.237 0.801 0.725 1.000 0.719 CA 1.534 65 residues pruned to eliminate duplicates Z: 72 59.782 2.173 0.884 0.672 0.972 0.732 CB 1.521 72 residues pruned to eliminate duplicates Z: 34 35.486 2.244 0.689 0.555 0.970 0.636 CA 1.593 34 residues pruned to eliminate duplicates Z: 70 53.545 2.184 0.640 0.678 0.986 0.739 CA 1.549 70 residues pruned to eliminate duplicates Z: 38 37.727 2.254 0.814 0.485 0.946 0.622 CB 1.629 38 residues pruned to eliminate duplicates Z: 61 56.582 2.229 0.722 0.754 0.967 0.867 CA 1.570 61 residues pruned to eliminate duplicates Z: 67 54.389 2.188 0.794 0.632 0.970 0.576 CB 1.553 67 residues pruned to eliminate duplicates Z: 34 38.234 2.261 0.822 0.540 0.970 0.667 CB 1.602 34 residues pruned to eliminate duplicates Z: 62 52.752 2.210 0.700 0.734 0.967 0.803 CA 1.506 62 residues pruned to eliminate duplicates Z: 76 51.761 2.176 0.653 0.648 0.947 0.747 CA 1.529 76 residues pruned to eliminate duplicates Z: 71 56.066 2.192 0.782 0.689 0.943 0.771 CA 1.531 71 residues pruned to eliminate duplicates Z: 72 53.835 2.199 0.725 0.666 0.958 0.746 CA 1.508 72 residues pruned to eliminate duplicates Z: 66 55.001 2.189 0.807 0.707 0.954 0.738 CA 1.497 66 residues pruned to eliminate duplicates Z: 72 54.802 2.171 0.729 0.686 0.972 0.690 CA 1.503 72 residues pruned to eliminate duplicates Z: 67 53.144 2.192 0.742 0.696 0.939 0.742 CA 1.525 67 residues pruned to eliminate duplicates Z: 70 55.609 2.201 0.703 0.692 0.986 0.797 CB 1.521 70 residues pruned to eliminate duplicates Z: 72 59.248 2.169 0.845 0.685 0.972 0.746 CA 1.525 72 residues pruned to eliminate duplicates Z: 68 59.280 2.209 0.769 0.707 0.985 0.806 CA 1.559 68 residues pruned to eliminate duplicates Z: 70 58.161 2.210 0.742 0.689 0.971 0.710 CB 1.575 70 residues pruned to eliminate duplicates Z: 73 56.900 2.186 0.794 0.677 0.958 0.750 CA 1.516 73 residues pruned to eliminate duplicates Z: 33 34.647 2.086 0.743 0.746 0.906 0.688 CA 1.492 33 residues pruned to eliminate duplicates Z: 67 53.987 2.182 0.736 0.712 0.939 0.742 CB 1.541 67 residues pruned to eliminate duplicates Z: 35 36.086 2.017 0.891 0.734 0.912 0.765 CB 1.442 35 residues pruned to eliminate duplicates Z: 67 61.406 2.214 0.810 0.727 0.985 0.712 CA 1.561 67 residues pruned to eliminate duplicates Z: 101 70.162 2.181 0.861 0.712 0.960 0.620 CB 1.487 101 residues pruned to eliminate duplicates Z: 77 55.611 2.168 0.787 0.632 0.961 0.711 CA 1.515 77 residues pruned to eliminate duplicates Z: 99 66.768 2.141 0.861 0.690 0.980 0.735 CB 1.453 81 residues pruned to eliminate duplicates Z: 14 27.275 2.226 1.050 0.902 0.923 0.846 CA 1.281 14 residues pruned to eliminate duplicates Z: 71 62.470 2.238 0.898 0.679 0.957 0.743 CA 1.557 71 residues pruned to eliminate duplicates Z: 69 59.801 2.211 0.783 0.682 0.985 0.721 CB 1.580 69 residues pruned to eliminate duplicates Z: 70 62.025 2.202 0.875 0.690 0.986 0.797 CA 1.541 70 residues pruned to eliminate duplicates Z: 71 56.904 2.153 0.861 0.672 0.971 0.629 CA 1.491 71 residues pruned to eliminate duplicates Z: 65 59.178 2.211 0.880 0.716 0.969 0.719 CA 1.511 65 residues pruned to eliminate duplicates Z: 37 45.631 2.126 0.943 0.824 0.972 0.667 CB 1.431 37 residues pruned to eliminate duplicates Z: 73 52.214 2.158 0.826 0.593 0.931 0.639 CB 1.535 73 residues pruned to eliminate duplicates Z: 64 51.116 2.180 0.816 0.652 0.937 0.619 CA 1.508 64 residues pruned to eliminate duplicates Z: 58 56.134 2.256 0.870 0.639 0.982 0.667 CA 1.575 58 residues pruned to eliminate duplicates Z: 55 51.698 2.233 0.812 0.678 0.963 0.741 CA 1.532 55 residues pruned to eliminate duplicates Z: 32 25.799 2.118 0.758 0.495 0.871 0.484 CB 1.436 32 residues pruned to eliminate duplicates Z: 18 8.046 1.797 0.371 0.215 0.882 0.412 CB 1.256 15 residues pruned to eliminate duplicates 6 1.782 1.459 0.053 0.301 0.800 0.400 CA 0.810 ? Z: 7 4.635 1.664 0.030 0.441 0.833 0.667 O 1.409 7 residues pruned to eliminate duplicates Z: 45 37.264 2.106 0.749 0.621 0.955 0.636 CB 1.425 45 residues pruned to eliminate duplicates Z: 6 3.268 1.668 0.136 0.231 0.800 0.200 N 1.319 6 residues pruned to eliminate duplicates Z: 13 14.107 2.051 0.585 0.378 1.000 0.667 CA 1.427 13 residues pruned to eliminate duplicates Z: 13 12.061 2.067 0.481 0.356 0.917 0.417 CB 1.450 13 residues pruned to eliminate duplicates Z: 44 34.922 2.115 0.777 0.631 0.930 0.628 CB 1.347 47 residues pruned to eliminate duplicates Z: 16 26.906 2.291 0.772 0.796 0.800 0.467 CB 1.651 16 residues pruned to eliminate duplicates Z: 27 32.687 2.226 0.934 0.586 0.885 0.615 CB 1.550 27 residues pruned to eliminate duplicates Z: 15 27.041 2.191 0.712 0.884 0.857 0.643 CB 1.625 15 residues pruned to eliminate duplicates Z: 46 34.294 2.074 0.842 0.601 0.933 0.578 CB 1.302 46 residues pruned to eliminate duplicates Z: 43 37.651 2.128 0.884 0.647 0.905 0.690 CB 1.397 43 residues pruned to eliminate duplicates Z: 46 32.475 2.051 0.865 0.624 0.889 0.511 CB 1.267 46 residues pruned to eliminate duplicates Z: 32 34.345 2.108 0.896 0.726 0.935 0.516 CB 1.345 32 residues pruned to eliminate duplicates Z: 111 66.395 2.179 0.819 0.612 0.955 0.655 CB 1.504 111 residues pruned to eliminate duplicates Z: 42 39.334 2.131 0.882 0.627 0.976 0.659 CB 1.393 42 residues pruned to eliminate duplicates Z: 14 35.212 2.284 1.084 0.884 1.000 0.615 CB 1.482 14 residues pruned to eliminate duplicates Z: 29 26.130 2.129 0.857 0.550 0.821 0.500 CB 1.448 29 residues pruned to eliminate duplicates Z: 45 36.662 2.093 0.796 0.635 0.932 0.659 CB 1.390 45 residues pruned to eliminate duplicates Z: 44 39.999 2.117 0.904 0.644 0.977 0.651 CB 1.355 44 residues pruned to eliminate duplicates Z: 99 59.209 2.141 0.856 0.603 0.918 0.592 CB 1.486 99 residues pruned to eliminate duplicates Z: 32 37.839 2.117 0.956 0.737 0.968 0.645 CB 1.371 32 residues pruned to eliminate duplicates Z: 13 22.151 2.022 0.776 0.730 1.000 0.917 CB 1.447 13 residues pruned to eliminate duplicates Z: 17 22.478 1.958 0.825 0.728 1.000 0.625 CB 1.280 17 residues pruned to eliminate duplicates Z: 16 23.676 1.985 0.825 0.762 1.000 0.667 CB 1.337 16 residues pruned to eliminate duplicates Z: 17 18.163 1.918 0.591 0.719 0.938 0.812 CB 1.303 17 residues pruned to eliminate duplicates Z: 16 21.104 1.976 0.690 0.721 1.000 0.800 CB 1.336 16 residues pruned to eliminate duplicates Z: 17 18.801 1.928 0.711 0.714 0.938 0.688 CB 1.251 16 residues pruned to eliminate duplicates Z: 12 21.487 1.948 0.702 0.854 1.000 0.909 CB 1.443 13 residues pruned to eliminate duplicates Z: 12 21.463 1.904 0.863 0.852 1.000 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 12 19.589 1.881 0.724 0.870 1.000 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 17 19.827 1.913 0.807 0.757 0.938 0.688 CB 1.216 17 residues pruned to eliminate duplicates Z: 16 24.863 1.967 0.894 0.782 1.000 0.800 CB 1.344 16 residues pruned to eliminate duplicates Z: 22 30.245 2.112 0.787 0.865 1.000 0.571 CA 1.281 22 residues pruned to eliminate duplicates Z: 24 30.490 2.024 0.807 0.893 0.957 0.609 CA 1.305 24 residues pruned to eliminate duplicates Z: 23 31.706 2.067 0.996 0.819 0.955 0.591 CA 1.301 23 residues pruned to eliminate duplicates Z: 24 31.666 1.972 0.918 0.794 1.000 0.478 CA 1.349 24 residues pruned to eliminate duplicates Z: 25 34.833 1.962 1.135 0.806 0.958 0.458 CA 1.357 23 residues pruned to eliminate duplicates Z: 21 33.052 2.133 1.045 0.877 0.900 0.450 CA 1.367 21 residues pruned to eliminate duplicates Z: 21 28.310 2.052 1.070 0.781 0.900 0.400 CA 1.292 21 residues pruned to eliminate duplicates Z: 22 33.408 2.082 0.940 0.836 0.952 0.429 CA 1.419 24 residues pruned to eliminate duplicates Z: 17 33.762 2.192 1.104 0.927 1.000 0.438 CA 1.282 17 residues pruned to eliminate duplicates Z: 23 42.190 2.089 1.135 0.873 1.000 0.318 CA 1.470 21 residues pruned to eliminate duplicates Z: 15 27.988 2.031 0.941 0.886 1.000 0.714 CA 1.369 15 residues pruned to eliminate duplicates Z: 23 40.458 2.082 1.080 0.874 1.000 0.318 CA 1.450 23 residues pruned to eliminate duplicates Z: 22 42.712 2.137 1.337 0.877 0.952 0.333 CA 1.423 22 residues pruned to eliminate duplicates Z: 21 34.595 2.068 1.248 0.907 0.850 0.500 CB 1.391 21 residues pruned to eliminate duplicates Z: 23 40.798 2.078 1.268 0.851 0.955 0.364 CA 1.431 23 residues pruned to eliminate duplicates Z: 24 37.955 2.011 1.184 0.840 0.957 0.174 CA 1.406 24 residues pruned to eliminate duplicates Z: 18 31.023 2.107 1.099 0.843 0.882 0.353 CA 1.436 18 residues pruned to eliminate duplicates Z: 22 36.724 2.078 1.108 0.860 1.000 0.333 CA 1.345 22 residues pruned to eliminate duplicates Z: 15 26.325 2.099 1.147 0.829 0.857 0.357 CA 1.370 15 residues pruned to eliminate duplicates Z: 21 31.282 2.062 1.048 0.856 0.900 0.250 CA 1.357 21 residues pruned to eliminate duplicates Z: 50 41.161 2.055 0.662 0.822 0.918 0.571 CB 1.419 50 residues pruned to eliminate duplicates Z: 28 25.566 2.003 0.359 0.869 1.000 0.778 CB 1.320 28 residues pruned to eliminate duplicates Z: 30 22.664 1.984 0.237 0.841 0.966 0.828 CB 1.324 30 residues pruned to eliminate duplicates Z: 30 25.769 2.002 0.283 0.867 1.000 0.655 CB 1.363 30 residues pruned to eliminate duplicates Z: 30 28.890 1.985 0.604 0.842 0.966 0.828 CB 1.301 30 residues pruned to eliminate duplicates Z: 31 24.153 1.960 0.341 0.821 0.967 0.667 CB 1.313 31 residues pruned to eliminate duplicates Z: 32 24.164 1.990 0.425 0.782 0.935 0.806 CB 1.276 32 residues pruned to eliminate duplicates Z: 35 22.952 1.948 0.412 0.726 0.912 0.676 CB 1.281 35 residues pruned to eliminate duplicates Z: 34 26.113 1.983 0.457 0.753 0.970 0.667 CB 1.295 34 residues pruned to eliminate duplicates Z: 32 24.032 1.959 0.489 0.788 0.903 0.742 CB 1.272 32 residues pruned to eliminate duplicates Z: 32 20.633 1.896 0.369 0.799 0.871 0.645 CB 1.262 32 residues pruned to eliminate duplicates Z: 35 22.357 1.894 0.395 0.729 0.941 0.676 CB 1.255 35 residues pruned to eliminate duplicates Z: 29 24.967 2.034 0.517 0.821 0.929 0.679 CB 1.246 29 residues pruned to eliminate duplicates Z: 29 27.392 2.014 0.611 0.836 0.929 0.714 CB 1.287 29 residues pruned to eliminate duplicates Z: 29 29.052 2.032 0.586 0.848 0.964 0.679 CB 1.310 29 residues pruned to eliminate duplicates Z: 25 30.770 2.122 0.609 0.898 0.958 0.625 CB 1.372 25 residues pruned to eliminate duplicates Z: 32 24.902 1.962 0.511 0.777 0.935 0.613 CB 1.263 32 residues pruned to eliminate duplicates Z: 29 31.637 2.031 0.746 0.850 0.964 0.643 CB 1.295 29 residues pruned to eliminate duplicates Z: 27 29.448 2.085 0.604 0.855 1.000 0.615 CB 1.274 27 residues pruned to eliminate duplicates Z: 51 41.429 1.993 0.908 0.801 0.940 0.420 CB 1.259 51 residues pruned to eliminate duplicates Z: 28 30.289 2.046 0.750 0.871 0.963 0.704 CB 1.233 28 residues pruned to eliminate duplicates Z: 40 22.675 1.865 0.595 0.654 0.846 0.538 CB 1.250 40 residues pruned to eliminate duplicates Z: 30 28.382 2.022 0.729 0.824 0.897 0.552 CB 1.270 30 residues pruned to eliminate duplicates Z: 27 30.647 2.089 0.836 0.857 0.923 0.538 CB 1.251 27 residues pruned to eliminate duplicates Z: 29 31.225 2.042 0.722 0.862 0.964 0.607 CB 1.278 29 residues pruned to eliminate duplicates Z: 27 30.263 2.075 0.822 0.856 0.923 0.577 CB 1.254 27 residues pruned to eliminate duplicates Z: 31 31.647 1.964 0.868 0.816 0.967 0.533 CB 1.238 31 residues pruned to eliminate duplicates 397 residues left after pruning, divided into chains as follows: A: 6 B: 55 C: 65 D: 11 E: 51 F: 12 G: 191 H: 6 CC for partial structure against native data = 38.73 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.481, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.562, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 0.668, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.678, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 0.690, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.694, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.701, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.703, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.706, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.707, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3084 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 580 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 33.244 2.229 0.780 0.841 1.000 0.857 CA 1.669 B: 15 31.402 2.196 0.843 0.856 1.000 0.857 CA 1.529 15 residues pruned to eliminate duplicates C: 26 41.534 2.219 0.900 0.928 0.960 0.720 CB 1.437 D: 23 50.239 2.356 1.057 0.903 1.000 0.727 CB 1.575 E: 26 36.434 2.157 0.734 0.884 0.960 0.640 CB 1.466 26 residues pruned to eliminate duplicates F: 15 33.111 2.201 0.782 0.841 1.000 0.929 CA 1.683 15 residues pruned to eliminate duplicates G: 14 27.405 2.229 1.200 0.754 0.846 0.692 CB 1.460 H: 14 29.520 2.224 0.900 0.916 0.923 0.846 CA 1.483 14 residues pruned to eliminate duplicates I: 14 44.532 2.425 1.074 0.940 1.000 0.462 CB 1.705 14 residues pruned to eliminate duplicates J: 23 60.475 2.417 1.220 0.928 1.000 0.545 CB 1.682 23 residues pruned to eliminate duplicates K: 14 27.024 2.231 1.146 0.789 0.846 0.615 CB 1.435 14 residues pruned to eliminate duplicates L: 24 49.769 2.344 1.037 0.939 1.000 0.609 CB 1.510 24 residues pruned to eliminate duplicates M: 24 49.245 2.338 0.802 0.947 1.000 0.739 CB 1.685 24 residues pruned to eliminate duplicates N: 20 35.398 2.199 1.020 0.845 0.947 0.474 CA 1.435 O: 13 30.534 2.221 0.791 0.921 1.000 0.750 CB 1.560 13 residues pruned to eliminate duplicates P: 22 54.684 2.420 1.156 0.937 0.952 0.333 CB 1.671 22 residues pruned to eliminate duplicates Q: 15 22.924 2.158 0.926 0.818 0.857 0.286 CB 1.304 15 residues pruned to eliminate duplicates R: 26 48.345 2.172 0.929 0.926 1.000 0.480 CB 1.618 26 residues pruned to eliminate duplicates S: 27 27.974 2.116 0.294 0.894 0.923 0.808 CA 1.557 27 residues pruned to eliminate duplicates T: 22 57.698 2.435 1.065 0.936 1.000 0.476 CB 1.743 23 residues pruned to eliminate duplicates U: 17 43.971 2.216 1.094 0.922 0.938 0.750 CA 1.777 V: 16 51.188 2.408 1.276 0.922 0.933 0.733 CA 1.817 15 residues pruned to eliminate duplicates W: 19 38.670 2.218 1.087 0.870 0.944 0.722 CA 1.522 21 residues pruned to eliminate duplicates X: 15 24.794 2.164 0.783 0.877 1.000 0.929 CA 1.247 Y: 16 24.869 1.905 0.935 0.878 1.000 0.733 CB 1.264 Z: 27 33.678 2.136 0.600 0.870 0.923 0.615 CB 1.528 27 residues pruned to eliminate duplicates Z: 18 38.644 2.126 1.190 0.889 0.941 0.765 CB 1.540 18 residues pruned to eliminate duplicates Z: 18 44.668 2.308 1.175 0.914 0.941 0.588 CA 1.622 18 residues pruned to eliminate duplicates Z: 12 15.080 2.028 0.811 0.752 0.909 0.727 CB 1.088 Z: 22 58.816 2.456 1.044 0.950 1.000 0.714 CB 1.763 22 residues pruned to eliminate duplicates Z: 17 44.869 2.270 1.007 0.918 1.000 0.812 CA 1.737 17 residues pruned to eliminate duplicates Z: 25 43.575 2.251 0.910 0.897 0.958 0.667 CB 1.545 25 residues pruned to eliminate duplicates Z: 26 33.569 2.195 0.414 0.933 0.960 0.800 CB 1.572 26 residues pruned to eliminate duplicates Z: 14 20.328 2.117 0.426 0.650 1.000 0.769 CB 1.624 Z: 26 36.912 2.185 0.730 0.860 1.000 0.880 CB 1.435 27 residues pruned to eliminate duplicates Z: 19 47.440 2.245 1.178 0.876 1.000 0.500 CA 1.662 18 residues pruned to eliminate duplicates Z: 14 34.087 2.284 0.995 0.929 1.000 0.692 CA 1.453 15 residues pruned to eliminate duplicates Z: 14 24.571 2.175 0.869 0.920 0.923 0.846 CA 1.279 14 residues pruned to eliminate duplicates Z: 25 57.453 2.301 1.164 0.943 1.000 0.375 CB 1.632 25 residues pruned to eliminate duplicates Z: 20 38.550 2.223 1.263 0.874 0.895 0.737 CA 1.430 20 residues pruned to eliminate duplicates Z: 15 28.009 2.206 0.706 0.839 0.929 0.857 CA 1.599 15 residues pruned to eliminate duplicates Z: 17 46.625 2.162 1.176 0.919 1.000 0.812 CA 1.746 18 residues pruned to eliminate duplicates Z: 20 37.102 2.184 1.098 0.820 0.947 0.789 CA 1.486 20 residues pruned to eliminate duplicates Z: 26 31.533 2.035 0.685 0.893 0.960 0.680 CB 1.375 Z: 25 33.374 2.157 0.535 0.919 0.958 0.750 CB 1.513 25 residues pruned to eliminate duplicates Z: 17 38.169 2.208 0.998 0.847 0.938 0.625 CA 1.712 17 residues pruned to eliminate duplicates Z: 18 45.872 2.335 1.149 0.915 1.000 0.882 CA 1.567 19 residues pruned to eliminate duplicates Z: 26 32.397 2.150 0.653 0.905 0.880 0.600 CB 1.475 26 residues pruned to eliminate duplicates Z: 17 45.031 2.191 1.092 0.923 1.000 0.875 CA 1.725 17 residues pruned to eliminate duplicates Z: 17 40.267 2.287 0.841 0.910 1.000 1.000 CA 1.695 17 residues pruned to eliminate duplicates Z: 12 24.862 2.166 0.680 0.893 1.000 0.909 CB 1.479 13 residues pruned to eliminate duplicates Z: 19 37.448 2.247 1.020 0.880 0.944 0.778 CA 1.492 19 residues pruned to eliminate duplicates Z: 26 31.898 2.027 0.684 0.915 0.960 0.600 CB 1.375 26 residues pruned to eliminate duplicates Z: 20 41.119 2.161 1.175 0.922 1.000 0.789 CA 1.411 19 residues pruned to eliminate duplicates Z: 13 20.942 2.138 0.551 0.627 1.000 0.833 CB 1.618 13 residues pruned to eliminate duplicates Z: 22 32.518 2.052 0.888 0.918 0.952 0.476 CA 1.357 Z: 18 47.955 2.316 1.210 0.931 1.000 0.882 CA 1.588 18 residues pruned to eliminate duplicates Z: 18 32.883 2.101 0.891 0.858 0.941 0.765 CA 1.570 18 residues pruned to eliminate duplicates Z: 16 26.093 2.104 0.912 0.845 0.867 0.533 CB 1.436 16 residues pruned to eliminate duplicates Z: 16 26.675 1.896 0.949 0.899 1.000 0.733 CA 1.333 15 residues pruned to eliminate duplicates Z: 27 29.106 1.951 0.767 0.882 0.962 0.577 CB 1.246 27 residues pruned to eliminate duplicates Z: 19 15.318 1.974 0.394 0.463 0.944 0.611 CB 1.443 19 residues pruned to eliminate duplicates Z: 16 48.837 2.225 1.219 0.935 1.000 0.800 CA 1.780 16 residues pruned to eliminate duplicates Z: 31 23.961 2.039 0.792 0.511 0.867 0.500 CB 1.366 13 residues pruned to eliminate duplicates Z: 19 41.977 2.130 1.203 0.835 1.000 0.944 CB 1.579 19 residues pruned to eliminate duplicates Z: 21 32.513 2.134 1.004 0.774 0.950 0.750 CA 1.404 21 residues pruned to eliminate duplicates Z: 24 50.053 2.272 1.199 0.900 1.000 0.435 CB 1.493 24 residues pruned to eliminate duplicates Z: 18 38.217 2.275 1.077 0.903 0.941 0.765 CA 1.486 18 residues pruned to eliminate duplicates Z: 21 35.631 2.126 0.738 0.936 1.000 0.650 CA 1.502 21 residues pruned to eliminate duplicates Z: 26 24.748 2.093 0.216 0.920 1.000 0.920 CA 1.369 26 residues pruned to eliminate duplicates Z: 51 51.479 2.276 0.710 0.714 0.900 0.760 CB 1.711 47 residues pruned to eliminate duplicates Z: 18 35.596 2.169 0.764 0.932 1.000 0.941 CA 1.575 18 residues pruned to eliminate duplicates Z: 23 38.886 2.315 0.789 0.881 0.909 0.864 CA 1.595 23 residues pruned to eliminate duplicates Z: 15 37.029 2.208 1.246 0.823 0.929 0.786 CA 1.624 15 residues pruned to eliminate duplicates Z: 14 21.946 2.082 0.731 0.602 0.923 0.769 CB 1.660 14 residues pruned to eliminate duplicates Z: 22 56.376 2.455 0.991 0.939 1.000 0.619 CB 1.748 23 residues pruned to eliminate duplicates Z: 26 35.003 2.143 0.544 0.908 1.000 0.800 CA 1.503 26 residues pruned to eliminate duplicates Z: 27 37.823 2.111 1.046 0.807 0.923 0.731 CB 1.423 27 residues pruned to eliminate duplicates Z: 15 26.861 2.204 0.694 0.847 0.929 0.929 CA 1.537 15 residues pruned to eliminate duplicates Z: 23 58.231 2.342 1.281 0.941 1.000 0.364 CB 1.613 22 residues pruned to eliminate duplicates Z: 18 23.181 2.156 0.286 0.905 1.000 0.882 CA 1.443 18 residues pruned to eliminate duplicates Z: 24 41.178 2.249 0.799 0.935 0.957 0.783 CB 1.546 24 residues pruned to eliminate duplicates Z: 22 31.538 2.035 0.934 0.854 0.952 0.571 CA 1.356 21 residues pruned to eliminate duplicates Z: 15 39.784 2.272 0.963 0.906 1.000 0.929 CA 1.696 15 residues pruned to eliminate duplicates Z: 16 21.702 1.889 0.412 0.888 1.000 0.867 CB 1.514 Z: 17 20.981 1.888 0.835 0.845 0.938 0.812 CA 1.201 17 residues pruned to eliminate duplicates Z: 15 22.037 2.094 0.812 0.860 0.857 0.429 CB 1.332 15 residues pruned to eliminate duplicates Z: 20 36.181 2.112 1.124 0.879 0.895 0.421 CA 1.499 23 residues pruned to eliminate duplicates Z: 14 20.470 2.180 0.374 0.907 1.000 0.923 CA 1.347 14 residues pruned to eliminate duplicates Z: 14 18.958 2.165 0.926 0.822 0.692 0.538 CB 1.378 14 residues pruned to eliminate duplicates Z: 16 8.902 1.990 0.569 0.256 0.733 0.467 CA 1.328 16 residues pruned to eliminate duplicates Z: 15 22.010 2.086 0.424 0.889 0.929 0.857 CB 1.535 14 residues pruned to eliminate duplicates Z: 16 26.505 2.019 0.926 0.796 0.933 0.800 CA 1.455 16 residues pruned to eliminate duplicates Z: 18 38.361 2.327 0.976 0.930 0.941 0.824 CA 1.504 18 residues pruned to eliminate duplicates Z: 18 46.190 2.372 1.094 0.929 1.000 0.765 CA 1.578 19 residues pruned to eliminate duplicates Z: 18 30.002 2.085 0.956 0.925 1.000 0.588 CA 1.253 18 residues pruned to eliminate duplicates Z: 58 56.284 2.237 0.766 0.687 0.965 0.789 CB 1.648 56 residues pruned to eliminate duplicates Z: 16 20.118 2.014 0.348 0.881 0.933 0.933 CA 1.484 16 residues pruned to eliminate duplicates Z: 18 26.030 2.063 0.557 0.890 1.000 0.882 CA 1.413 18 residues pruned to eliminate duplicates Z: 15 35.765 2.187 1.191 0.815 0.929 0.571 CA 1.635 15 residues pruned to eliminate duplicates Z: 17 43.013 2.269 1.015 0.906 1.000 0.812 CA 1.673 17 residues pruned to eliminate duplicates Z: 17 24.526 1.935 0.739 0.841 0.938 0.750 CA 1.450 17 residues pruned to eliminate duplicates Z: 15 17.564 2.060 0.484 0.815 0.929 0.857 CB 1.258 15 residues pruned to eliminate duplicates Z: 23 55.412 2.387 1.182 0.937 0.955 0.636 CB 1.654 23 residues pruned to eliminate duplicates Z: 17 46.435 2.283 1.006 0.920 1.000 0.812 CB 1.786 17 residues pruned to eliminate duplicates Z: 27 28.888 2.115 0.356 0.893 0.962 0.885 CA 1.475 27 residues pruned to eliminate duplicates Z: 11 15.067 2.085 0.618 0.858 1.000 0.700 CB 1.040 11 residues pruned to eliminate duplicates Z: 11 13.603 1.833 0.833 0.728 1.000 0.800 CB 1.043 Z: 17 34.365 2.221 0.874 0.911 1.000 0.812 CA 1.463 17 residues pruned to eliminate duplicates Z: 26 25.738 2.105 0.315 0.888 0.960 0.920 CA 1.395 26 residues pruned to eliminate duplicates Z: 12 24.251 2.167 1.011 0.885 1.000 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 21 39.726 2.117 1.083 0.943 0.900 0.450 CB 1.552 22 residues pruned to eliminate duplicates Z: 13 38.953 2.322 1.121 0.924 1.000 0.500 CB 1.603 13 residues pruned to eliminate duplicates Z: 9 17.336 2.009 0.886 0.880 1.000 0.750 CB 1.172 11 residues pruned to eliminate duplicates Z: 14 27.029 2.086 0.716 0.913 1.000 0.923 CB 1.482 14 residues pruned to eliminate duplicates Z: 15 19.571 1.993 0.809 0.840 1.000 0.714 CA 1.083 15 residues pruned to eliminate duplicates Z: 8 6.725 1.890 0.652 0.223 0.714 0.286 CA 1.576 Z: 26 21.411 2.006 0.182 0.895 1.000 0.800 CB 1.295 26 residues pruned to eliminate duplicates Z: 26 31.077 2.021 0.771 0.913 0.960 0.720 CB 1.280 26 residues pruned to eliminate duplicates Z: 16 23.320 2.032 0.473 0.909 1.000 1.000 CA 1.428 16 residues pruned to eliminate duplicates Z: 18 35.896 2.276 0.939 0.875 0.941 0.882 CA 1.524 18 residues pruned to eliminate duplicates Z: 12 15.014 1.882 0.860 0.802 0.909 0.727 CB 1.092 11 residues pruned to eliminate duplicates Z: 15 16.372 1.807 0.476 0.784 1.000 0.643 CB 1.277 Z: 25 26.164 2.067 0.423 0.909 0.958 0.750 CB 1.344 25 residues pruned to eliminate duplicates Z: 21 38.851 2.145 1.116 0.888 0.950 0.550 CA 1.452 20 residues pruned to eliminate duplicates Z: 15 28.550 2.266 0.996 0.860 0.857 0.571 CA 1.448 15 residues pruned to eliminate duplicates Z: 12 13.555 1.938 0.283 0.916 1.000 0.818 CB 1.161 Z: 14 31.103 2.233 1.198 0.935 0.846 0.692 CA 1.447 14 residues pruned to eliminate duplicates Z: 27 22.363 1.972 0.148 0.911 1.000 0.885 CB 1.372 26 residues pruned to eliminate duplicates Z: 8 2.595 1.654 -0.276 0.538 0.857 0.714 CB 0.920 Z: 25 25.528 2.142 0.204 0.929 0.958 0.917 CA 1.475 25 residues pruned to eliminate duplicates Z: 26 30.997 2.030 0.510 0.917 1.000 0.880 CA 1.427 26 residues pruned to eliminate duplicates Z: 23 53.856 2.359 1.110 0.941 1.000 0.636 CB 1.601 23 residues pruned to eliminate duplicates Z: 21 22.762 2.094 0.442 0.861 0.900 0.800 CA 1.377 21 residues pruned to eliminate duplicates Z: 21 37.792 2.137 0.936 0.898 1.000 0.500 CA 1.461 21 residues pruned to eliminate duplicates Z: 15 25.714 2.172 0.701 0.839 0.929 0.857 CA 1.496 15 residues pruned to eliminate duplicates Z: 14 16.127 1.763 0.714 0.903 1.000 0.769 CB 1.055 12 residues pruned to eliminate duplicates Z: 22 33.443 2.093 0.753 0.894 1.000 0.667 CA 1.427 22 residues pruned to eliminate duplicates Z: 25 40.612 2.227 0.724 0.927 1.000 0.750 CB 1.513 26 residues pruned to eliminate duplicates Z: 13 15.617 1.692 0.411 0.822 1.000 0.750 CB 1.428 Z: 27 31.139 1.992 0.789 0.904 0.962 0.654 CB 1.269 26 residues pruned to eliminate duplicates Z: 13 20.097 1.890 0.852 0.868 1.000 0.750 CB 1.212 14 residues pruned to eliminate duplicates Z: 12 16.616 1.872 0.946 0.811 0.909 0.818 CB 1.154 12 residues pruned to eliminate duplicates Z: 26 22.700 1.964 0.309 0.881 0.920 0.800 CB 1.390 27 residues pruned to eliminate duplicates Z: 12 14.315 1.764 0.391 0.835 1.000 0.818 CB 1.317 13 residues pruned to eliminate duplicates Z: 14 23.622 1.899 1.122 0.850 0.923 0.538 CA 1.305 12 residues pruned to eliminate duplicates Z: 7 7.970 1.484 0.365 0.867 1.000 0.667 CA 1.175 Z: 14 22.672 2.221 0.842 0.754 0.769 0.615 CA 1.593 14 residues pruned to eliminate duplicates Z: 28 34.751 2.020 0.990 0.852 0.889 0.741 CB 1.385 33 residues pruned to eliminate duplicates Z: 16 25.508 2.027 0.926 0.791 0.867 0.600 CB 1.508 16 residues pruned to eliminate duplicates Z: 13 29.638 2.242 0.772 0.916 1.000 0.917 CA 1.521 13 residues pruned to eliminate duplicates Z: 13 14.793 1.786 0.787 0.825 0.917 0.583 CB 1.102 13 residues pruned to eliminate duplicates Z: 26 31.216 2.051 0.636 0.888 0.960 0.880 CB 1.396 26 residues pruned to eliminate duplicates Z: 17 23.554 1.891 0.814 0.876 0.938 0.875 CA 1.330 17 residues pruned to eliminate duplicates Z: 13 12.839 1.913 0.831 0.746 0.917 0.917 CB 0.926 13 residues pruned to eliminate duplicates Z: 11 14.474 1.727 0.847 0.821 1.000 0.900 CB 1.087 11 residues pruned to eliminate duplicates Z: 20 40.074 2.195 1.029 0.926 0.947 0.526 CA 1.528 20 residues pruned to eliminate duplicates Z: 12 20.497 1.944 0.511 0.898 1.000 1.000 CB 1.505 13 residues pruned to eliminate duplicates Z: 26 39.662 2.141 0.839 0.868 1.000 0.600 CB 1.472 26 residues pruned to eliminate duplicates Z: 18 21.942 2.086 0.817 0.535 0.824 0.647 CB 1.648 18 residues pruned to eliminate duplicates Z: 7 9.652 1.583 0.409 0.879 1.000 0.667 CA 1.281 7 residues pruned to eliminate duplicates Z: 12 18.833 2.006 0.692 0.870 0.909 0.727 CA 1.343 10 residues pruned to eliminate duplicates Z: 19 41.018 2.266 1.067 0.859 1.000 0.889 CA 1.519 19 residues pruned to eliminate duplicates Z: 71 65.126 2.228 0.990 0.675 0.986 0.686 CB 1.516 66 residues pruned to eliminate duplicates Z: 16 23.588 1.980 0.544 0.891 1.000 0.733 CA 1.433 16 residues pruned to eliminate duplicates Z: 22 25.600 2.053 0.463 0.883 0.952 0.810 CA 1.412 22 residues pruned to eliminate duplicates Z: 9 11.810 1.962 0.541 0.813 0.875 0.875 CB 1.202 9 residues pruned to eliminate duplicates Z: 9 13.977 1.843 0.370 0.893 1.000 1.000 CB 1.405 8 residues pruned to eliminate duplicates Z: 24 51.839 2.303 1.274 0.943 0.957 0.391 CB 1.496 24 residues pruned to eliminate duplicates Z: 25 39.728 2.230 0.802 0.928 0.958 0.750 CB 1.475 25 residues pruned to eliminate duplicates Z: 26 28.792 2.135 0.283 0.918 0.960 0.760 CB 1.544 26 residues pruned to eliminate duplicates Z: 15 26.518 2.085 0.711 0.909 0.929 0.786 CA 1.518 21 residues pruned to eliminate duplicates Z: 13 17.451 1.955 0.710 0.778 0.917 0.583 CB 1.287 13 residues pruned to eliminate duplicates Z: 14 21.239 2.097 0.607 0.632 1.000 0.769 CB 1.545 14 residues pruned to eliminate duplicates Z: 38 37.797 2.171 0.778 0.608 0.973 0.730 CB 1.494 38 residues pruned to eliminate duplicates Z: 13 27.033 2.142 0.709 0.936 1.000 0.667 CA 1.484 13 residues pruned to eliminate duplicates Z: 14 21.411 2.162 0.655 0.862 1.000 0.462 CB 1.219 14 residues pruned to eliminate duplicates Z: 25 29.310 2.069 0.724 0.925 0.958 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 25 20.316 2.040 0.080 0.911 1.000 0.833 CB 1.333 25 residues pruned to eliminate duplicates Z: 16 21.416 2.028 0.439 0.902 0.933 0.867 CA 1.448 16 residues pruned to eliminate duplicates Z: 14 38.074 2.284 1.257 0.861 0.923 0.615 CB 1.631 14 residues pruned to eliminate duplicates Z: 14 13.607 1.797 0.438 0.892 0.923 0.769 CB 1.137 14 residues pruned to eliminate duplicates Z: 11 8.688 1.688 0.225 0.868 0.900 0.700 CB 1.079 Z: 20 41.731 2.117 1.232 0.923 0.947 0.211 CB 1.503 20 residues pruned to eliminate duplicates Z: 25 23.685 2.024 0.381 0.873 0.958 0.708 CB 1.315 25 residues pruned to eliminate duplicates Z: 13 10.832 2.090 0.587 0.192 1.000 0.417 CB 1.362 13 residues pruned to eliminate duplicates Z: 27 33.832 2.128 0.551 0.917 0.962 0.654 CB 1.475 27 residues pruned to eliminate duplicates Z: 54 55.529 2.262 0.888 0.667 0.962 0.679 CB 1.591 54 residues pruned to eliminate duplicates Z: 11 7.791 1.598 0.157 0.861 1.000 0.700 CB 0.978 11 residues pruned to eliminate duplicates Z: 26 32.302 2.266 0.804 0.620 0.960 0.640 CA 1.470 26 residues pruned to eliminate duplicates Z: 13 15.758 1.774 0.436 0.841 1.000 0.833 CA 1.332 13 residues pruned to eliminate duplicates Z: 13 14.704 1.871 0.669 0.877 0.833 0.833 CB 1.184 13 residues pruned to eliminate duplicates Z: 22 25.016 2.004 0.700 0.896 0.952 0.714 CA 1.206 21 residues pruned to eliminate duplicates Z: 15 20.923 2.090 0.515 0.865 1.000 0.429 CB 1.294 15 residues pruned to eliminate duplicates Z: 35 35.880 2.165 0.816 0.615 0.912 0.765 CB 1.540 35 residues pruned to eliminate duplicates Z: 15 23.739 2.071 0.567 0.913 0.929 0.714 CA 1.490 15 residues pruned to eliminate duplicates Z: 8 5.555 1.935 0.486 0.236 0.714 0.571 CB 1.390 8 residues pruned to eliminate duplicates Z: 26 28.227 2.018 0.518 0.883 0.960 0.760 CA 1.388 26 residues pruned to eliminate duplicates Z: 14 17.973 1.838 0.637 0.899 1.000 0.923 CB 1.184 13 residues pruned to eliminate duplicates Z: 25 29.161 2.197 0.253 0.923 1.000 0.875 CA 1.519 25 residues pruned to eliminate duplicates Z: 25 29.541 2.050 0.675 0.898 1.000 0.542 CB 1.256 25 residues pruned to eliminate duplicates Z: 21 40.873 2.127 0.999 0.924 1.000 0.450 CA 1.510 21 residues pruned to eliminate duplicates Z: 8 8.705 1.797 0.265 0.780 1.000 0.857 CA 1.131 8 residues pruned to eliminate duplicates Z: 15 21.231 1.956 1.053 0.839 0.857 0.714 CB 1.231 15 residues pruned to eliminate duplicates Z: 12 11.249 2.010 0.515 0.336 1.000 0.364 CA 1.333 15 residues pruned to eliminate duplicates Z: 13 26.360 2.231 0.791 0.894 0.917 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 14 22.329 2.162 0.554 0.889 1.000 0.769 CB 1.327 14 residues pruned to eliminate duplicates Z: 25 38.487 2.200 0.842 0.912 0.958 0.667 CB 1.432 26 residues pruned to eliminate duplicates Z: 31 21.552 2.146 0.505 0.421 0.867 0.467 CB 1.526 31 residues pruned to eliminate duplicates Z: 32 44.056 2.155 1.137 0.777 0.903 0.710 CA 1.490 32 residues pruned to eliminate duplicates Z: 6 3.399 1.758 -0.337 0.478 1.000 0.600 O 1.333 Z: 14 21.993 2.090 0.644 0.913 1.000 0.846 CA 1.257 14 residues pruned to eliminate duplicates Z: 15 33.314 2.155 1.064 0.904 1.000 0.643 CA 1.426 15 residues pruned to eliminate duplicates Z: 16 18.146 1.860 0.648 0.880 1.000 0.800 CA 1.108 16 residues pruned to eliminate duplicates Z: 6 4.255 1.679 -0.005 0.625 0.800 0.800 CB 1.266 Z: 11 19.112 1.827 0.739 0.852 1.000 0.700 CA 1.407 11 residues pruned to eliminate duplicates Z: 26 32.175 2.064 0.826 0.844 0.920 0.320 CB 1.380 26 residues pruned to eliminate duplicates Z: 19 40.813 2.261 1.090 0.892 1.000 0.889 CA 1.462 19 residues pruned to eliminate duplicates Z: 6 8.954 1.922 0.324 0.648 0.800 0.600 CB 1.714 6 residues pruned to eliminate duplicates Z: 13 13.733 1.707 0.603 0.854 1.000 0.667 CA 1.070 Z: 12 12.595 1.760 0.515 0.892 1.000 0.636 CB 1.024 12 residues pruned to eliminate duplicates Z: 6 8.348 2.034 0.622 0.683 1.000 0.800 CB 0.956 Z: 27 28.401 2.117 0.293 0.880 1.000 0.654 CA 1.475 27 residues pruned to eliminate duplicates Z: 30 28.564 2.089 0.678 0.531 0.931 0.552 CB 1.575 30 residues pruned to eliminate duplicates Z: 25 40.876 2.208 0.879 0.933 0.958 0.625 CB 1.465 25 residues pruned to eliminate duplicates Z: 25 24.723 2.013 0.292 0.908 1.000 0.833 CB 1.378 25 residues pruned to eliminate duplicates Z: 7 3.329 1.430 0.322 0.534 0.833 0.833 CB 0.834 Z: 10 12.201 1.737 0.265 0.893 1.000 0.778 CB 1.329 11 residues pruned to eliminate duplicates Z: 20 32.960 2.165 0.710 0.936 1.000 0.789 CA 1.422 21 residues pruned to eliminate duplicates Z: 16 31.099 1.989 1.167 0.885 1.000 0.667 CB 1.345 16 residues pruned to eliminate duplicates Z: 20 29.405 2.175 0.632 0.918 0.947 0.895 CA 1.414 20 residues pruned to eliminate duplicates Z: 15 27.910 2.151 0.799 0.802 0.929 0.714 CB 1.595 15 residues pruned to eliminate duplicates Z: 13 14.576 1.630 0.913 0.925 0.917 0.583 CB 1.033 12 residues pruned to eliminate duplicates Z: 12 22.950 2.021 0.882 0.896 1.000 0.727 CA 1.303 12 residues pruned to eliminate duplicates Z: 27 30.738 1.964 0.771 0.890 0.962 0.577 CB 1.296 27 residues pruned to eliminate duplicates Z: 13 34.541 2.278 1.217 0.929 0.917 0.833 CA 1.508 13 residues pruned to eliminate duplicates Z: 13 6.149 1.971 0.683 0.262 0.667 0.417 CB 1.053 8 residues pruned to eliminate duplicates Z: 15 27.448 2.002 1.167 0.870 0.929 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 51 37.070 2.090 0.746 0.625 0.920 0.600 CB 1.388 50 residues pruned to eliminate duplicates Z: 24 21.834 1.999 0.246 0.923 1.000 0.739 CB 1.284 24 residues pruned to eliminate duplicates Z: 13 9.868 1.601 0.329 0.891 1.000 0.833 CB 0.962 13 residues pruned to eliminate duplicates Z: 14 4.649 1.707 -0.005 0.362 0.769 0.615 CB 1.145 6 residues pruned to eliminate duplicates Z: 18 36.049 2.125 0.860 0.904 1.000 0.706 CB 1.575 18 residues pruned to eliminate duplicates Z: 7 16.842 2.178 0.474 0.853 1.000 0.833 CA 1.583 7 residues pruned to eliminate duplicates Z: 26 31.589 2.127 0.592 0.871 0.920 0.800 CB 1.479 26 residues pruned to eliminate duplicates Z: 20 29.238 2.098 0.668 0.887 1.000 0.895 CA 1.381 20 residues pruned to eliminate duplicates Z: 11 18.411 1.942 1.119 0.873 0.900 0.600 CB 1.145 12 residues pruned to eliminate duplicates Z: 49 45.010 2.096 0.772 0.721 0.958 0.750 CB 1.494 50 residues pruned to eliminate duplicates Z: 9 7.712 1.685 -0.032 0.919 1.000 1.000 CB 1.177 Z: 19 29.683 2.200 0.514 0.909 0.944 0.833 CA 1.579 19 residues pruned to eliminate duplicates Z: 14 27.296 1.943 1.253 0.872 0.923 0.615 CB 1.365 14 residues pruned to eliminate duplicates Z: 23 24.174 1.769 0.960 0.829 1.000 0.955 CA 1.119 29 residues pruned to eliminate duplicates Z: 25 45.656 2.194 1.132 0.928 0.958 0.500 CB 1.456 25 residues pruned to eliminate duplicates Z: 15 18.436 2.000 0.566 0.847 0.929 0.857 CB 1.258 15 residues pruned to eliminate duplicates Z: 17 12.296 1.743 0.587 0.690 0.938 0.625 CB 0.996 13 residues pruned to eliminate duplicates Z: 22 39.124 1.999 1.132 0.910 1.000 0.381 CA 1.420 22 residues pruned to eliminate duplicates Z: 13 19.236 1.831 0.635 0.898 1.000 0.667 CB 1.327 13 residues pruned to eliminate duplicates Z: 25 36.519 2.204 0.636 0.925 0.958 0.833 CB 1.513 25 residues pruned to eliminate duplicates Z: 14 21.108 2.074 0.617 0.587 1.000 0.692 CB 1.607 14 residues pruned to eliminate duplicates Z: 11 8.188 1.671 0.569 0.849 0.700 0.200 CB 1.046 11 residues pruned to eliminate duplicates Z: 27 29.597 1.934 0.897 0.855 0.962 0.385 CB 1.215 27 residues pruned to eliminate duplicates Z: 26 24.067 2.045 0.278 0.839 0.960 0.800 CB 1.433 26 residues pruned to eliminate duplicates Z: 12 6.738 1.700 0.020 0.853 1.000 0.636 CB 0.865 12 residues pruned to eliminate duplicates Z: 7 8.707 1.848 0.336 0.871 1.000 0.833 CB 1.050 7 residues pruned to eliminate duplicates Z: 13 37.015 2.337 1.156 0.908 1.000 0.750 CB 1.506 15 residues pruned to eliminate duplicates Z: 16 34.624 2.087 0.976 0.879 0.933 0.867 CA 1.684 16 residues pruned to eliminate duplicates Z: 12 15.366 1.765 0.678 0.858 0.909 0.364 CB 1.266 12 residues pruned to eliminate duplicates Z: 6 6.044 1.688 0.162 0.839 0.800 0.800 CA 1.287 6 residues pruned to eliminate duplicates Z: 10 11.563 1.726 0.271 0.898 1.000 0.889 CB 1.257 10 residues pruned to eliminate duplicates Z: 15 35.037 2.256 0.793 0.946 1.000 1.000 CA 1.601 15 residues pruned to eliminate duplicates Z: 13 16.341 1.804 0.689 0.833 1.000 0.667 CB 1.162 13 residues pruned to eliminate duplicates Z: 13 12.412 1.698 0.587 0.880 0.917 0.833 CA 1.051 13 residues pruned to eliminate duplicates Z: 27 27.775 2.084 0.279 0.929 0.962 0.846 CA 1.487 27 residues pruned to eliminate duplicates Z: 14 33.370 2.217 1.276 0.911 0.923 0.308 CB 1.408 14 residues pruned to eliminate duplicates Z: 24 47.034 2.347 0.950 0.779 1.000 0.609 CA 1.675 24 residues pruned to eliminate duplicates Z: 12 8.248 1.568 0.171 0.854 1.000 1.000 CB 1.001 Z: 44 40.135 2.011 0.804 0.742 0.977 0.814 CB 1.391 44 residues pruned to eliminate duplicates Z: 9 6.549 1.753 0.386 0.527 0.875 0.625 CB 1.061 9 residues pruned to eliminate duplicates Z: 8 9.895 1.813 0.452 0.844 0.857 0.571 CB 1.234 8 residues pruned to eliminate duplicates Z: 27 18.306 1.892 0.460 0.583 0.885 0.615 CA 1.356 27 residues pruned to eliminate duplicates Z: 24 30.881 2.105 0.773 0.690 0.957 0.739 CB 1.515 24 residues pruned to eliminate duplicates Z: 10 6.038 1.632 0.345 0.879 0.889 0.778 CB 0.748 11 residues pruned to eliminate duplicates Z: 9 9.077 1.702 0.089 0.869 1.000 0.875 CB 1.265 9 residues pruned to eliminate duplicates Z: 12 11.139 1.846 0.754 0.536 0.909 0.818 CB 1.102 12 residues pruned to eliminate duplicates Z: 9 10.943 1.717 0.343 0.887 1.000 0.750 CB 1.210 9 residues pruned to eliminate duplicates Z: 15 32.709 2.157 1.078 0.837 0.929 0.786 CA 1.571 15 residues pruned to eliminate duplicates Z: 14 38.221 2.297 1.187 0.923 1.000 0.692 CA 1.483 14 residues pruned to eliminate duplicates Z: 12 14.312 1.739 0.612 0.817 1.000 0.636 CB 1.169 12 residues pruned to eliminate duplicates Z: 15 20.104 2.005 0.813 0.859 0.857 0.643 CB 1.268 15 residues pruned to eliminate duplicates Z: 12 15.964 1.763 0.510 0.853 1.000 0.909 CB 1.337 12 residues pruned to eliminate duplicates Z: 13 38.236 2.242 1.329 0.925 1.000 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 9 9.982 1.701 0.163 0.907 1.000 0.875 CB 1.268 8 residues pruned to eliminate duplicates Z: 9 19.226 1.980 0.953 0.909 1.000 0.625 CB 1.247 9 residues pruned to eliminate duplicates Z: 16 15.579 1.999 0.587 0.533 0.800 0.667 CB 1.534 16 residues pruned to eliminate duplicates Z: 25 30.702 2.224 0.300 0.948 1.000 0.917 CA 1.497 25 residues pruned to eliminate duplicates Z: 35 22.935 1.890 0.445 0.729 0.941 0.559 CB 1.245 32 residues pruned to eliminate duplicates Z: 10 7.536 1.537 0.048 0.878 1.000 0.778 CB 1.131 10 residues pruned to eliminate duplicates Z: 13 17.652 1.921 0.615 0.903 0.917 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 14 40.908 2.276 1.302 0.927 1.000 0.692 CB 1.517 14 residues pruned to eliminate duplicates Z: 14 13.109 2.038 0.277 0.549 0.923 0.615 CB 1.443 14 residues pruned to eliminate duplicates Z: 19 7.197 1.663 0.239 0.382 0.944 0.667 CB 0.988 19 residues pruned to eliminate duplicates Z: 12 12.610 1.991 0.041 0.894 1.000 0.818 CB 1.317 12 residues pruned to eliminate duplicates Z: 24 26.127 1.942 0.571 0.913 1.000 0.957 CA 1.263 24 residues pruned to eliminate duplicates Z: 16 29.205 1.862 1.131 0.930 1.000 0.800 CA 1.329 16 residues pruned to eliminate duplicates Z: 9 10.461 1.673 0.219 0.908 1.000 1.000 CA 1.288 9 residues pruned to eliminate duplicates Z: 26 21.334 1.961 0.637 0.823 0.840 0.520 CB 1.196 26 residues pruned to eliminate duplicates 6 0.618 1.491 0.638 0.291 0.600 0.600 CB 0.238 ? Z: 6 3.421 1.432 0.435 0.298 0.800 0.400 CB 1.166 Z: 15 12.420 1.710 0.419 0.876 0.857 0.714 CA 1.160 15 residues pruned to eliminate duplicates Z: 25 22.691 2.053 0.119 0.908 1.000 0.958 CA 1.432 25 residues pruned to eliminate duplicates Z: 11 10.651 1.598 0.532 0.903 1.000 0.900 CB 0.981 11 residues pruned to eliminate duplicates Z: 19 6.637 1.665 0.221 0.358 0.833 0.389 CB 1.076 19 residues pruned to eliminate duplicates Z: 14 17.127 2.094 0.155 0.921 0.923 0.923 CA 1.497 14 residues pruned to eliminate duplicates Z: 26 30.402 2.033 0.613 0.902 0.960 0.760 CB 1.377 26 residues pruned to eliminate duplicates Z: 36 33.801 2.157 0.720 0.574 0.914 0.743 CA 1.569 36 residues pruned to eliminate duplicates Z: 12 12.314 1.683 0.554 0.793 0.909 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 8 11.810 1.850 0.702 0.620 0.857 0.571 CB 1.477 8 residues pruned to eliminate duplicates Z: 30 19.217 2.043 0.788 0.520 0.724 0.552 CB 1.322 30 residues pruned to eliminate duplicates 8 1.915 1.203 0.383 0.448 0.714 0.429 CB 0.643 ? Z: 6 5.590 1.512 0.902 0.861 1.000 0.600 CB 0.638 6 residues pruned to eliminate duplicates Z: 16 17.758 1.690 0.712 0.795 1.000 0.800 CB 1.224 15 residues pruned to eliminate duplicates Z: 13 20.118 2.064 0.771 0.873 1.000 0.917 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 13.046 1.710 0.608 0.849 0.917 0.667 CB 1.108 13 residues pruned to eliminate duplicates Z: 17 20.958 1.891 0.805 0.823 0.875 0.688 CA 1.326 17 residues pruned to eliminate duplicates Z: 10 7.235 1.936 0.353 0.333 0.889 0.667 CA 1.242 10 residues pruned to eliminate duplicates Z: 35 17.496 1.795 0.509 0.618 0.912 0.618 CB 1.087 19 residues pruned to eliminate duplicates Z: 9 8.170 1.676 0.331 0.881 1.000 0.375 CB 0.938 9 residues pruned to eliminate duplicates Z: 12 33.545 2.335 1.285 0.923 0.909 0.909 CA 1.465 12 residues pruned to eliminate duplicates Z: 13 11.357 1.673 0.496 0.866 0.917 0.667 CB 1.046 13 residues pruned to eliminate duplicates Z: 59 50.429 2.037 0.883 0.758 0.983 0.776 CB 1.396 59 residues pruned to eliminate duplicates Z: 9 10.120 1.658 0.233 0.873 1.000 0.875 CB 1.275 9 residues pruned to eliminate duplicates Z: 44 48.054 2.205 0.868 0.630 0.977 0.744 CA 1.611 44 residues pruned to eliminate duplicates Z: 26 42.248 2.191 0.857 0.932 0.960 0.720 CB 1.510 26 residues pruned to eliminate duplicates Z: 13 19.296 1.886 0.790 0.928 1.000 0.750 CB 1.156 13 residues pruned to eliminate duplicates Z: 13 12.702 2.012 0.273 0.492 0.917 0.417 CB 1.574 13 residues pruned to eliminate duplicates Z: 12 9.719 1.620 0.209 0.831 1.000 0.909 CB 1.123 12 residues pruned to eliminate duplicates Z: 23 37.988 2.231 0.867 0.882 0.909 0.545 CA 1.548 23 residues pruned to eliminate duplicates Z: 15 26.936 1.981 1.016 0.875 1.000 0.714 CB 1.311 15 residues pruned to eliminate duplicates Z: 37 33.556 2.129 0.628 0.673 0.944 0.750 CA 1.456 37 residues pruned to eliminate duplicates Z: 7 15.928 1.917 0.739 0.848 1.000 0.833 CA 1.447 7 residues pruned to eliminate duplicates Z: 8 10.715 1.697 0.315 0.913 1.000 0.857 CB 1.285 8 residues pruned to eliminate duplicates Z: 45 26.298 1.980 0.628 0.586 0.886 0.568 CB 1.278 43 residues pruned to eliminate duplicates Z: 78 50.564 2.115 0.765 0.601 0.935 0.675 CB 1.499 78 residues pruned to eliminate duplicates Z: 14 28.621 2.051 1.095 0.897 1.000 0.769 CB 1.322 14 residues pruned to eliminate duplicates Z: 16 18.131 1.909 0.263 0.874 1.000 0.867 CA 1.413 16 residues pruned to eliminate duplicates Z: 12 38.999 2.319 1.335 0.921 1.000 0.545 CB 1.528 12 residues pruned to eliminate duplicates Z: 9 5.518 1.649 0.361 0.278 0.875 0.750 CA 1.277 9 residues pruned to eliminate duplicates Z: 13 8.529 1.469 0.278 0.828 1.000 0.833 CB 0.988 13 residues pruned to eliminate duplicates Z: 16 17.718 1.837 0.544 0.905 1.000 0.867 CA 1.148 16 residues pruned to eliminate duplicates Z: 14 16.418 1.772 0.764 0.741 1.000 0.692 CA 1.174 12 residues pruned to eliminate duplicates Z: 14 13.870 1.614 0.844 0.858 0.923 0.615 CB 1.031 12 residues pruned to eliminate duplicates Z: 14 12.000 1.553 0.932 0.848 0.923 0.385 CB 0.892 14 residues pruned to eliminate duplicates Z: 9 6.114 1.489 0.594 0.635 0.750 0.375 CB 1.069 9 residues pruned to eliminate duplicates Z: 15 22.438 1.947 1.066 0.863 0.929 0.429 CB 1.178 15 residues pruned to eliminate duplicates Z: 27 30.818 1.970 0.928 0.913 0.923 0.654 CB 1.220 27 residues pruned to eliminate duplicates Z: 34 16.424 1.788 0.488 0.596 0.909 0.636 CB 1.079 34 residues pruned to eliminate duplicates Z: 16 17.616 1.811 0.999 0.735 1.000 0.800 CB 1.017 16 residues pruned to eliminate duplicates Z: 27 29.652 1.978 0.864 0.916 0.923 0.577 CB 1.207 27 residues pruned to eliminate duplicates Z: 9 11.919 1.720 0.441 0.890 1.000 0.750 CA 1.223 9 residues pruned to eliminate duplicates Z: 43 49.529 2.243 0.920 0.624 1.000 0.738 CA 1.578 43 residues pruned to eliminate duplicates Z: 15 16.416 1.793 0.531 0.811 0.929 0.643 CB 1.312 15 residues pruned to eliminate duplicates Z: 26 28.010 2.114 0.386 0.916 0.920 0.760 CA 1.467 26 residues pruned to eliminate duplicates Z: 23 44.018 2.310 1.182 0.925 0.909 0.227 CB 1.437 23 residues pruned to eliminate duplicates Z: 15 25.122 2.148 0.613 0.827 0.929 0.643 CB 1.572 15 residues pruned to eliminate duplicates Z: 19 11.248 1.741 0.581 0.459 0.889 0.556 CB 1.130 19 residues pruned to eliminate duplicates 6 0.587 1.164 0.570 0.265 0.400 0.400 CB 0.469 ? Z: 7 3.308 1.429 0.537 0.659 0.667 0.333 CB 0.796 Z: 21 26.860 2.099 0.577 0.881 0.950 0.800 CA 1.383 21 residues pruned to eliminate duplicates Z: 16 15.069 1.877 0.150 0.901 1.000 0.867 CA 1.287 16 residues pruned to eliminate duplicates Z: 10 12.593 1.887 0.305 0.903 1.000 0.889 CA 1.215 10 residues pruned to eliminate duplicates Z: 9 2.622 1.546 0.181 0.331 0.625 0.250 CB 0.978 Z: 17 16.057 2.071 -0.076 0.920 1.000 0.875 CA 1.477 17 residues pruned to eliminate duplicates Z: 9 6.956 1.728 0.166 0.892 0.875 0.750 CB 1.002 8 residues pruned to eliminate duplicates Z: 28 26.283 2.006 0.418 0.853 0.963 0.778 CB 1.365 28 residues pruned to eliminate duplicates 7 1.988 1.371 0.250 0.627 0.667 0.500 N 0.631 ? Z: 27 36.528 2.131 0.589 0.878 1.000 0.731 CA 1.535 27 residues pruned to eliminate duplicates Z: 51 31.660 2.035 0.831 0.561 0.900 0.420 CB 1.258 56 residues pruned to eliminate duplicates Z: 17 8.507 1.776 0.948 0.199 0.875 0.375 CB 1.005 17 residues pruned to eliminate duplicates Z: 31 35.083 2.257 0.931 0.531 0.933 0.667 CA 1.528 31 residues pruned to eliminate duplicates Z: 21 19.471 2.024 0.608 0.612 0.900 0.700 CA 1.337 21 residues pruned to eliminate duplicates Z: 13 4.774 1.528 0.345 0.375 0.667 0.500 CB 1.149 12 residues pruned to eliminate duplicates Z: 26 24.012 1.995 0.319 0.902 0.960 0.680 CB 1.355 26 residues pruned to eliminate duplicates Z: 6 2.066 1.639 -0.136 0.363 0.600 0.400 CB 1.261 Z: 13 16.827 1.860 0.533 0.915 1.000 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 16 24.680 1.904 0.986 0.933 0.933 0.667 CB 1.259 16 residues pruned to eliminate duplicates Z: 9 5.932 1.546 0.304 0.451 0.875 0.500 CA 1.251 Z: 20 25.995 2.105 0.595 0.905 0.947 0.947 CA 1.334 20 residues pruned to eliminate duplicates Z: 37 31.108 2.063 0.585 0.745 0.944 0.750 CA 1.349 30 residues pruned to eliminate duplicates Z: 21 15.391 1.920 0.403 0.629 0.850 0.550 CB 1.331 21 residues pruned to eliminate duplicates Z: 13 16.692 1.886 0.494 0.918 1.000 0.500 CB 1.206 13 residues pruned to eliminate duplicates 6 1.555 1.795 0.079 0.194 0.400 0.200 CB 1.294 ? Z: 14 25.241 2.124 0.718 0.854 1.000 0.538 CB 1.417 14 residues pruned to eliminate duplicates Z: 6 2.667 1.292 0.186 0.756 1.000 0.800 CB 0.620 Z: 8 9.511 1.797 0.382 0.732 0.857 0.714 CB 1.371 9 residues pruned to eliminate duplicates Z: 9 5.564 1.458 0.435 0.525 0.875 0.750 CB 1.049 Z: 27 31.232 2.119 0.435 0.891 0.962 0.808 CB 1.506 27 residues pruned to eliminate duplicates Z: 23 10.806 1.656 0.341 0.703 0.955 0.545 CB 0.903 23 residues pruned to eliminate duplicates Z: 30 20.686 1.881 0.397 0.629 0.966 0.724 CB 1.341 29 residues pruned to eliminate duplicates Z: 15 7.178 1.535 0.245 0.544 0.929 0.714 CB 1.035 15 residues pruned to eliminate duplicates Z: 9 13.041 1.645 0.610 0.890 1.000 0.250 N 1.252 9 residues pruned to eliminate duplicates Z: 7 3.211 1.623 0.283 0.248 0.667 0.500 CA 1.262 Z: 10 11.969 1.732 0.341 0.882 1.000 0.778 CA 1.243 10 residues pruned to eliminate duplicates Z: 14 17.190 2.094 0.694 0.801 0.769 0.538 CB 1.343 14 residues pruned to eliminate duplicates Z: 14 25.895 2.319 0.469 0.939 1.000 1.000 CB 1.465 14 residues pruned to eliminate duplicates Z: 6 4.642 1.555 0.346 0.542 1.000 0.800 CB 0.952 Z: 11 12.931 1.849 0.326 0.893 1.000 0.900 CA 1.198 11 residues pruned to eliminate duplicates Z: 6 3.047 1.109 0.947 0.712 1.000 0.600 CB 0.521 Z: 10 14.437 1.832 0.674 0.878 1.000 0.778 CB 1.139 10 residues pruned to eliminate duplicates Z: 11 24.617 2.101 0.890 0.873 1.000 0.800 CA 1.429 11 residues pruned to eliminate duplicates Z: 26 23.139 1.923 0.263 0.883 1.000 0.760 CB 1.378 26 residues pruned to eliminate duplicates Z: 26 26.588 2.136 0.177 0.917 1.000 0.920 CB 1.493 26 residues pruned to eliminate duplicates Z: 13 7.862 1.894 0.356 0.342 0.750 0.583 CB 1.399 13 residues pruned to eliminate duplicates Z: 31 10.854 1.708 0.309 0.485 0.833 0.433 CB 1.080 31 residues pruned to eliminate duplicates Z: 56 54.552 2.055 0.860 0.810 1.000 0.800 CA 1.468 58 residues pruned to eliminate duplicates Z: 12 19.821 1.919 0.723 0.927 1.000 0.545 CB 1.266 12 residues pruned to eliminate duplicates Z: 10 8.019 1.689 0.281 0.912 0.889 0.778 CB 0.984 10 residues pruned to eliminate duplicates Z: 39 35.631 1.915 0.962 0.754 0.974 0.737 CB 1.260 39 residues pruned to eliminate duplicates Z: 11 7.152 1.538 0.107 0.716 1.000 0.500 CB 1.092 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 6.683 1.703 0.222 0.263 0.941 0.706 CB 1.085 18 residues pruned to eliminate duplicates Z: 31 10.255 1.673 0.280 0.461 0.933 0.700 CB 0.975 31 residues pruned to eliminate duplicates Z: 13 5.594 1.741 0.251 0.194 1.000 0.750 CB 1.069 13 residues pruned to eliminate duplicates Z: 15 5.211 1.695 0.060 0.254 0.929 0.786 CB 1.107 15 residues pruned to eliminate duplicates Z: 57 45.511 2.045 0.780 0.746 0.946 0.821 CB 1.417 57 residues pruned to eliminate duplicates Z: 56 51.651 2.072 0.879 0.785 1.000 0.855 CB 1.392 56 residues pruned to eliminate duplicates Z: 58 48.997 2.042 0.774 0.780 1.000 0.877 CB 1.400 58 residues pruned to eliminate duplicates Z: 58 52.153 2.051 0.903 0.738 1.000 0.842 CB 1.429 58 residues pruned to eliminate duplicates Z: 57 50.396 2.063 0.836 0.763 0.982 0.786 CB 1.434 57 residues pruned to eliminate duplicates Z: 24 29.416 2.045 0.987 0.629 0.870 0.652 CB 1.538 24 residues pruned to eliminate duplicates Z: 56 54.288 2.087 0.938 0.762 0.982 0.782 CB 1.462 57 residues pruned to eliminate duplicates Z: 18 39.568 2.155 0.925 0.906 1.000 0.647 CA 1.645 18 residues pruned to eliminate duplicates Z: 56 53.308 2.074 0.937 0.767 1.000 0.818 CB 1.412 56 residues pruned to eliminate duplicates Z: 60 49.052 2.032 0.890 0.743 0.949 0.780 CB 1.409 60 residues pruned to eliminate duplicates Z: 60 52.243 2.024 0.903 0.758 1.000 0.831 CB 1.403 57 residues pruned to eliminate duplicates Z: 18 42.261 2.194 1.184 0.908 0.941 0.765 CA 1.614 18 residues pruned to eliminate duplicates Z: 61 47.019 1.988 0.762 0.744 0.967 0.817 CB 1.441 61 residues pruned to eliminate duplicates Z: 57 51.496 2.078 0.847 0.745 0.982 0.821 CB 1.466 57 residues pruned to eliminate duplicates Z: 58 47.448 2.012 0.805 0.751 0.982 0.754 CA 1.408 58 residues pruned to eliminate duplicates Z: 58 50.548 2.050 0.821 0.749 1.000 0.772 CB 1.436 58 residues pruned to eliminate duplicates Z: 57 54.215 2.072 0.896 0.774 1.000 0.821 CB 1.448 57 residues pruned to eliminate duplicates Z: 58 51.114 2.036 0.899 0.768 0.982 0.684 CB 1.406 58 residues pruned to eliminate duplicates Z: 59 50.880 2.040 0.853 0.765 0.966 0.845 CB 1.447 59 residues pruned to eliminate duplicates Z: 57 50.110 2.077 0.808 0.751 0.982 0.804 CB 1.452 57 residues pruned to eliminate duplicates Z: 62 45.516 2.027 0.790 0.722 0.984 0.820 CB 1.336 62 residues pruned to eliminate duplicates Z: 55 52.382 2.097 0.826 0.786 1.000 0.796 CA 1.448 55 residues pruned to eliminate duplicates Z: 58 48.844 2.062 0.797 0.744 0.982 0.860 CB 1.428 58 residues pruned to eliminate duplicates Z: 58 49.338 2.051 0.822 0.745 0.982 0.877 CB 1.430 58 residues pruned to eliminate duplicates Z: 57 54.529 2.082 0.889 0.762 1.000 0.804 CB 1.469 59 residues pruned to eliminate duplicates Z: 12 21.545 2.021 0.749 0.917 1.000 1.000 CA 1.297 12 residues pruned to eliminate duplicates Z: 56 53.929 2.084 0.875 0.779 1.000 0.818 CB 1.455 56 residues pruned to eliminate duplicates Z: 52 48.336 2.124 0.744 0.749 1.000 0.882 CB 1.463 52 residues pruned to eliminate duplicates Z: 60 46.405 2.018 0.728 0.760 0.983 0.712 CB 1.400 60 residues pruned to eliminate duplicates Z: 59 46.006 2.014 0.721 0.768 0.983 0.828 CB 1.400 59 residues pruned to eliminate duplicates Z: 57 49.756 2.066 0.816 0.747 0.982 0.839 CA 1.446 57 residues pruned to eliminate duplicates Z: 58 54.316 2.051 0.915 0.779 1.000 0.825 CB 1.432 58 residues pruned to eliminate duplicates Z: 57 49.405 2.065 0.735 0.781 1.000 0.786 CA 1.439 57 residues pruned to eliminate duplicates Z: 59 47.960 2.029 0.794 0.742 0.983 0.828 CA 1.418 59 residues pruned to eliminate duplicates Z: 56 48.372 2.075 0.716 0.773 0.982 0.782 CA 1.466 56 residues pruned to eliminate duplicates Z: 57 51.997 2.068 0.900 0.754 0.982 0.768 CB 1.436 57 residues pruned to eliminate duplicates Z: 57 48.556 2.072 0.761 0.761 0.964 0.839 CB 1.463 57 residues pruned to eliminate duplicates Z: 58 47.987 2.041 0.765 0.774 0.965 0.789 CA 1.435 58 residues pruned to eliminate duplicates Z: 58 49.534 2.046 0.804 0.758 0.982 0.754 CB 1.438 58 residues pruned to eliminate duplicates Z: 57 52.343 2.071 0.881 0.753 1.000 0.804 CB 1.433 57 residues pruned to eliminate duplicates Z: 58 46.641 2.055 0.756 0.719 0.982 0.737 CB 1.429 58 residues pruned to eliminate duplicates Z: 56 50.917 2.080 0.829 0.760 1.000 0.727 CB 1.432 56 residues pruned to eliminate duplicates Z: 59 50.590 2.042 0.845 0.742 1.000 0.759 CB 1.419 59 residues pruned to eliminate duplicates Z: 58 47.908 2.066 0.722 0.762 0.982 0.825 CB 1.438 58 residues pruned to eliminate duplicates Z: 60 47.585 2.049 0.814 0.719 0.983 0.780 CB 1.391 60 residues pruned to eliminate duplicates Z: 59 46.625 2.023 0.777 0.733 0.983 0.707 CB 1.406 59 residues pruned to eliminate duplicates Z: 57 49.281 2.077 0.794 0.756 0.964 0.804 CB 1.459 57 residues pruned to eliminate duplicates Z: 59 47.239 2.021 0.836 0.745 0.983 0.776 CB 1.366 59 residues pruned to eliminate duplicates Z: 57 54.631 2.061 0.988 0.756 1.000 0.714 CB 1.419 57 residues pruned to eliminate duplicates Z: 56 52.252 2.094 0.899 0.779 1.000 0.800 CB 1.385 56 residues pruned to eliminate duplicates Z: 59 47.951 2.040 0.764 0.762 0.983 0.776 CA 1.411 59 residues pruned to eliminate duplicates Z: 58 49.955 2.049 0.875 0.766 1.000 0.737 CB 1.361 58 residues pruned to eliminate duplicates Z: 58 51.559 2.050 0.896 0.762 0.982 0.807 CB 1.417 58 residues pruned to eliminate duplicates Z: 14 7.388 1.844 0.414 0.375 0.615 0.462 CB 1.460 14 residues pruned to eliminate duplicates Z: 16 16.135 1.872 0.715 0.768 0.867 0.800 CB 1.182 16 residues pruned to eliminate duplicates Z: 26 15.716 1.791 0.565 0.591 0.840 0.640 CB 1.224 27 residues pruned to eliminate duplicates Z: 14 14.695 1.791 0.550 0.793 0.923 0.692 CA 1.229 14 residues pruned to eliminate duplicates Z: 36 17.342 1.738 0.616 0.558 0.914 0.600 CB 1.079 35 residues pruned to eliminate duplicates Z: 13 14.946 1.839 0.448 0.861 1.000 0.833 CB 1.190 13 residues pruned to eliminate duplicates Z: 20 12.030 1.760 0.472 0.681 0.895 0.632 CB 1.009 20 residues pruned to eliminate duplicates Z: 21 17.949 1.901 0.498 0.634 0.950 0.700 CB 1.308 21 residues pruned to eliminate duplicates Z: 16 10.604 1.856 0.245 0.681 0.800 0.667 CB 1.254 16 residues pruned to eliminate duplicates Z: 25 10.140 1.635 0.506 0.710 0.875 0.458 CB 0.794 25 residues pruned to eliminate duplicates Z: 26 14.347 1.783 0.543 0.623 0.800 0.680 CB 1.162 26 residues pruned to eliminate duplicates Z: 36 14.891 1.753 0.510 0.560 0.800 0.629 CB 1.121 36 residues pruned to eliminate duplicates Z: 22 16.733 1.856 0.757 0.610 0.857 0.524 CB 1.177 22 residues pruned to eliminate duplicates Z: 40 18.434 1.746 0.492 0.652 0.872 0.641 CB 1.129 40 residues pruned to eliminate duplicates Z: 36 16.855 1.762 0.590 0.558 0.886 0.571 CB 1.085 36 residues pruned to eliminate duplicates Z: 36 18.147 1.774 0.659 0.601 0.857 0.571 CB 1.104 36 residues pruned to eliminate duplicates Z: 35 16.273 1.749 0.476 0.546 0.912 0.441 CB 1.134 35 residues pruned to eliminate duplicates Z: 15 6.445 1.524 0.380 0.486 0.929 0.571 CB 0.895 15 residues pruned to eliminate duplicates Z: 14 8.997 1.590 0.476 0.592 1.000 0.615 CB 0.974 14 residues pruned to eliminate duplicates Z: 35 13.717 1.755 0.447 0.495 0.853 0.471 CB 1.091 35 residues pruned to eliminate duplicates Z: 17 8.266 1.557 0.317 0.507 1.000 0.500 CB 1.001 17 residues pruned to eliminate duplicates Z: 14 8.871 1.614 0.476 0.581 1.000 0.615 CB 0.955 14 residues pruned to eliminate duplicates Z: 11 9.688 1.685 0.592 0.653 1.000 0.700 CB 0.991 11 residues pruned to eliminate duplicates Z: 11 7.157 1.705 0.252 0.618 1.000 0.700 CB 0.948 11 residues pruned to eliminate duplicates Z: 32 12.098 1.758 0.360 0.507 0.806 0.452 CB 1.119 32 residues pruned to eliminate duplicates Z: 13 9.612 1.652 0.465 0.615 1.000 0.583 CB 1.028 13 residues pruned to eliminate duplicates Z: 18 10.538 1.636 0.424 0.752 0.941 0.706 CB 0.931 18 residues pruned to eliminate duplicates Z: 18 8.420 1.631 0.302 0.659 0.941 0.765 CB 0.882 18 residues pruned to eliminate duplicates Z: 19 8.280 1.610 0.241 0.647 0.889 0.722 CB 0.958 19 residues pruned to eliminate duplicates Z: 6 3.360 1.586 0.001 0.589 0.800 0.800 CB 1.087 6 residues pruned to eliminate duplicates Z: 18 8.977 1.611 0.314 0.671 1.000 0.647 CB 0.879 18 residues pruned to eliminate duplicates Z: 20 7.267 1.621 0.286 0.562 0.947 0.632 CB 0.795 20 residues pruned to eliminate duplicates Z: 8 2.280 1.551 0.222 0.458 0.714 0.714 CB 0.664 8 residues pruned to eliminate duplicates Z: 43 13.728 1.653 0.252 0.524 0.881 0.595 CB 1.135 50 residues pruned to eliminate duplicates Z: 6 2.821 1.788 -0.086 0.439 0.800 0.200 CB 1.027 6 residues pruned to eliminate duplicates Z: 6 4.513 1.668 0.459 0.296 1.000 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 25 11.096 1.655 0.421 0.620 0.917 0.500 CB 0.938 34 residues pruned to eliminate duplicates Z: 43 16.714 1.704 0.431 0.551 0.881 0.548 CB 1.143 40 residues pruned to eliminate duplicates Z: 13 13.958 1.795 0.978 0.560 0.833 0.500 CB 1.284 13 residues pruned to eliminate duplicates Z: 19 18.891 1.811 0.667 0.546 0.944 0.611 CB 1.493 19 residues pruned to eliminate duplicates Z: 17 15.077 1.699 0.615 0.534 0.938 0.375 CB 1.417 17 residues pruned to eliminate duplicates Z: 14 16.974 1.850 0.670 0.666 0.923 0.462 CB 1.416 14 residues pruned to eliminate duplicates Z: 20 16.100 1.742 0.723 0.517 0.895 0.632 CB 1.352 20 residues pruned to eliminate duplicates Z: 21 10.656 1.692 0.561 0.507 0.750 0.450 CB 1.194 21 residues pruned to eliminate duplicates Z: 17 17.758 1.832 0.559 0.663 1.000 0.562 CB 1.336 17 residues pruned to eliminate duplicates Z: 12 22.603 1.883 0.921 0.780 1.000 0.545 CB 1.472 12 residues pruned to eliminate duplicates Z: 21 14.306 1.768 0.365 0.555 0.950 0.600 CB 1.322 21 residues pruned to eliminate duplicates Z: 15 21.505 1.881 0.806 0.692 0.929 0.643 CA 1.528 15 residues pruned to eliminate duplicates Z: 15 20.879 1.778 1.008 0.614 1.000 0.571 CB 1.403 15 residues pruned to eliminate duplicates Z: 15 23.109 1.897 0.841 0.693 1.000 0.714 CB 1.483 16 residues pruned to eliminate duplicates Z: 10 9.825 1.689 0.312 0.905 1.000 0.778 CB 1.052 10 residues pruned to eliminate duplicates Z: 10 9.410 1.677 0.286 0.860 1.000 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 11 12.775 1.761 0.379 0.877 1.000 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 10 9.897 1.676 0.446 0.871 1.000 0.667 CB 0.993 10 residues pruned to eliminate duplicates Z: 12 9.420 1.605 0.437 0.785 0.909 0.364 CB 1.054 12 residues pruned to eliminate duplicates Z: 10 9.957 1.675 0.324 0.898 1.000 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 12 9.645 1.649 0.321 0.734 1.000 0.455 CB 1.082 10 residues pruned to eliminate duplicates Z: 13 8.819 1.579 0.308 0.838 1.000 0.667 CB 0.921 13 residues pruned to eliminate duplicates Z: 13 8.981 1.585 0.416 0.840 1.000 0.667 CB 0.862 13 residues pruned to eliminate duplicates Z: 24 29.762 2.012 0.623 0.826 1.000 0.609 CA 1.434 26 residues pruned to eliminate duplicates Z: 22 25.207 2.058 0.546 0.870 0.905 0.667 CA 1.396 22 residues pruned to eliminate duplicates Z: 24 28.457 2.053 0.699 0.835 0.913 0.478 CA 1.395 24 residues pruned to eliminate duplicates Z: 24 34.716 2.065 0.829 0.844 0.957 0.609 CA 1.490 24 residues pruned to eliminate duplicates Z: 24 23.098 1.968 0.804 0.649 0.913 0.609 CA 1.293 24 residues pruned to eliminate duplicates Z: 22 34.927 2.079 0.953 0.870 1.000 0.476 CA 1.370 22 residues pruned to eliminate duplicates Z: 21 26.439 2.026 0.906 0.787 0.950 0.550 CA 1.252 21 residues pruned to eliminate duplicates Z: 23 40.935 2.134 0.942 0.891 1.000 0.455 CA 1.514 23 residues pruned to eliminate duplicates Z: 22 38.375 2.063 1.118 0.890 0.905 0.429 CB 1.524 22 residues pruned to eliminate duplicates Z: 22 40.735 2.121 1.091 0.889 0.952 0.429 CB 1.515 22 residues pruned to eliminate duplicates Z: 21 47.257 2.165 1.320 0.870 1.000 0.500 CA 1.536 19 residues pruned to eliminate duplicates Z: 20 29.078 2.027 1.029 0.898 0.895 0.474 CA 1.297 20 residues pruned to eliminate duplicates Z: 17 26.600 2.168 0.958 0.763 0.875 0.625 CA 1.417 17 residues pruned to eliminate duplicates Z: 21 29.861 2.064 1.035 0.795 0.950 0.450 CA 1.292 21 residues pruned to eliminate duplicates Z: 18 32.607 2.194 1.094 0.856 0.882 0.471 CA 1.438 18 residues pruned to eliminate duplicates Z: 22 32.685 1.986 1.092 0.786 0.952 0.333 CA 1.402 22 residues pruned to eliminate duplicates Z: 20 31.595 2.144 1.074 0.776 0.895 0.368 CA 1.428 20 residues pruned to eliminate duplicates Z: 22 36.144 2.131 1.010 0.866 0.952 0.381 CA 1.415 22 residues pruned to eliminate duplicates Z: 22 35.324 2.073 1.016 0.877 0.905 0.429 CB 1.481 22 residues pruned to eliminate duplicates Z: 21 33.438 2.090 0.904 0.875 0.950 0.350 CA 1.438 21 residues pruned to eliminate duplicates Z: 30 24.540 1.937 0.312 0.827 1.000 0.690 CB 1.351 28 residues pruned to eliminate duplicates Z: 27 17.904 1.986 0.035 0.884 0.962 0.769 CB 1.283 27 residues pruned to eliminate duplicates Z: 31 20.348 1.963 0.273 0.807 0.900 0.667 CB 1.264 32 residues pruned to eliminate duplicates Z: 26 21.599 1.991 0.256 0.890 0.960 0.840 CB 1.295 26 residues pruned to eliminate duplicates Z: 30 26.266 1.986 0.344 0.860 1.000 0.793 CB 1.343 30 residues pruned to eliminate duplicates Z: 39 18.874 1.814 0.210 0.689 0.974 0.711 CB 1.205 39 residues pruned to eliminate duplicates Z: 29 22.091 1.953 0.267 0.838 0.964 0.750 CB 1.308 29 residues pruned to eliminate duplicates Z: 28 24.375 2.000 0.423 0.828 0.963 0.778 CB 1.289 28 residues pruned to eliminate duplicates Z: 27 26.494 2.014 0.427 0.858 1.000 0.731 CB 1.332 27 residues pruned to eliminate duplicates Z: 24 14.447 1.856 0.217 0.729 0.957 0.783 CB 1.135 24 residues pruned to eliminate duplicates Z: 31 22.328 1.955 0.320 0.766 0.967 0.700 CB 1.291 31 residues pruned to eliminate duplicates Z: 31 22.997 1.938 0.219 0.840 1.000 0.733 CB 1.327 31 residues pruned to eliminate duplicates Z: 27 27.053 2.037 0.491 0.859 0.923 0.615 CB 1.392 27 residues pruned to eliminate duplicates Z: 32 23.383 1.920 0.444 0.753 0.935 0.710 CB 1.293 32 residues pruned to eliminate duplicates Z: 36 21.645 1.884 0.493 0.658 0.886 0.629 CB 1.269 26 residues pruned to eliminate duplicates Z: 26 29.559 2.040 0.574 0.903 0.960 0.640 CB 1.368 26 residues pruned to eliminate duplicates Z: 31 26.983 1.953 0.679 0.827 0.933 0.667 CB 1.213 31 residues pruned to eliminate duplicates Z: 27 27.012 2.045 0.621 0.863 0.962 0.577 CB 1.220 38 residues pruned to eliminate duplicates Z: 20 31.650 1.933 1.052 0.902 1.000 0.526 CB 1.306 18 residues pruned to eliminate duplicates Z: 27 28.731 1.962 0.781 0.872 0.962 0.615 CB 1.223 27 residues pruned to eliminate duplicates Z: 26 28.012 2.033 0.892 0.852 0.920 0.480 CB 1.171 26 residues pruned to eliminate duplicates Z: 35 25.525 1.900 0.717 0.746 0.941 0.412 CB 1.144 35 residues pruned to eliminate duplicates Z: 25 31.951 2.084 0.865 0.885 0.958 0.375 CB 1.265 25 residues pruned to eliminate duplicates Z: 28 29.168 2.017 0.718 0.872 0.963 0.444 CB 1.226 28 residues pruned to eliminate duplicates Z: 28 30.287 2.026 0.833 0.862 0.963 0.593 CB 1.196 30 residues pruned to eliminate duplicates Z: 27 34.152 1.988 0.894 0.900 1.000 0.654 CB 1.271 29 residues pruned to eliminate duplicates Z: 27 32.441 1.969 0.905 0.905 0.962 0.538 CB 1.255 27 residues pruned to eliminate duplicates Z: 27 28.943 1.965 0.912 0.885 0.923 0.538 CB 1.181 27 residues pruned to eliminate duplicates Z: 16 9.945 1.927 0.434 0.345 0.800 0.600 CA 1.375 16 residues pruned to eliminate duplicates Z: 14 9.434 2.068 0.537 0.302 0.692 0.615 CB 1.482 14 residues pruned to eliminate duplicates Z: 12 12.614 2.093 0.583 0.324 1.000 0.636 CA 1.393 12 residues pruned to eliminate duplicates Z: 29 26.340 2.129 0.898 0.546 0.857 0.536 CB 1.374 29 residues pruned to eliminate duplicates Z: 7 6.477 1.791 0.440 0.352 0.833 0.667 O 1.444 7 residues pruned to eliminate duplicates Z: 12 10.730 1.899 0.754 0.435 0.818 0.727 CA 1.269 12 residues pruned to eliminate duplicates Z: 27 27.640 2.165 0.965 0.551 0.808 0.577 CB 1.501 27 residues pruned to eliminate duplicates Z: 30 25.052 2.115 0.847 0.527 0.862 0.552 CB 1.345 30 residues pruned to eliminate duplicates Z: 43 30.997 2.058 0.777 0.639 0.905 0.595 CB 1.269 43 residues pruned to eliminate duplicates Z: 17 17.286 1.995 0.731 0.718 0.750 0.625 CB 1.370 17 residues pruned to eliminate duplicates Z: 32 28.071 2.032 0.849 0.715 0.968 0.581 CB 1.141 32 residues pruned to eliminate duplicates Z: 30 20.690 1.935 0.800 0.700 0.862 0.517 CB 1.066 30 residues pruned to eliminate duplicates Z: 16 11.825 1.777 0.701 0.698 0.867 0.600 CB 0.973 16 residues pruned to eliminate duplicates Z: 14 15.034 1.828 0.711 0.723 1.000 0.615 CB 1.090 14 residues pruned to eliminate duplicates Z: 16 13.425 1.803 0.686 0.656 1.000 0.600 CB 0.986 16 residues pruned to eliminate duplicates Z: 14 6.293 1.711 0.553 0.391 0.846 0.538 CB 0.871 14 residues pruned to eliminate duplicates Z: 33 22.178 2.019 0.701 0.502 0.906 0.344 CB 1.257 33 residues pruned to eliminate duplicates Z: 10 6.397 1.751 0.736 0.417 0.889 0.333 CB 0.861 10 residues pruned to eliminate duplicates Z: 19 13.239 1.975 0.422 0.476 0.833 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 50 41.097 2.121 0.707 0.636 0.918 0.776 CB 1.555 50 residues pruned to eliminate duplicates Z: 62 45.837 2.163 0.662 0.661 0.918 0.639 CB 1.532 62 residues pruned to eliminate duplicates Z: 15 19.168 2.047 0.445 0.606 0.929 0.643 CA 1.687 15 residues pruned to eliminate duplicates Z: 14 18.426 2.145 0.373 0.658 0.923 0.923 CB 1.623 14 residues pruned to eliminate duplicates Z: 10 10.848 1.844 0.362 0.589 0.889 0.778 CA 1.487 10 residues pruned to eliminate duplicates Z: 14 21.362 2.105 0.479 0.683 1.000 0.923 CB 1.608 14 residues pruned to eliminate duplicates Z: 9 14.746 1.968 0.719 0.658 0.875 0.875 CB 1.521 9 residues pruned to eliminate duplicates Z: 6 6.230 1.774 0.253 0.364 1.000 0.800 CB 1.451 6 residues pruned to eliminate duplicates Z: 19 13.456 1.955 0.383 0.489 0.833 0.667 CB 1.423 19 residues pruned to eliminate duplicates Z: 17 18.496 1.972 0.599 0.558 0.938 0.750 CB 1.478 17 residues pruned to eliminate duplicates Z: 14 21.052 2.123 0.535 0.654 1.000 0.846 CB 1.552 14 residues pruned to eliminate duplicates Z: 17 16.725 2.009 0.381 0.561 0.938 0.750 CA 1.514 17 residues pruned to eliminate duplicates Z: 16 20.385 2.077 0.607 0.564 0.933 0.667 CA 1.588 16 residues pruned to eliminate duplicates Z: 16 33.506 2.289 0.885 0.794 0.933 0.733 CB 1.661 16 residues pruned to eliminate duplicates Z: 58 60.539 2.261 0.862 0.693 0.965 0.737 CB 1.655 58 residues pruned to eliminate duplicates Z: 15 34.496 2.191 0.998 0.854 1.000 0.643 CA 1.556 15 residues pruned to eliminate duplicates Z: 22 26.093 2.192 0.701 0.553 0.952 0.714 CB 1.523 22 residues pruned to eliminate duplicates Z: 38 40.522 2.223 0.731 0.694 0.946 0.784 CB 1.532 38 residues pruned to eliminate duplicates Z: 34 49.830 2.333 0.902 0.726 0.970 0.818 CB 1.644 34 residues pruned to eliminate duplicates Z: 35 31.840 2.154 0.784 0.516 0.912 0.735 CB 1.535 35 residues pruned to eliminate duplicates Z: 47 47.300 2.244 0.714 0.720 0.913 0.630 CB 1.628 47 residues pruned to eliminate duplicates Z: 59 48.827 2.173 0.687 0.655 0.931 0.724 CB 1.626 59 residues pruned to eliminate duplicates Z: 45 52.838 2.277 0.739 0.737 0.977 0.818 CA 1.664 45 residues pruned to eliminate duplicates Z: 45 58.454 2.295 0.969 0.752 0.955 0.750 CB 1.632 45 residues pruned to eliminate duplicates Z: 15 36.810 2.217 1.095 0.843 0.929 0.786 CA 1.698 15 residues pruned to eliminate duplicates Z: 45 52.360 2.313 0.689 0.720 0.977 0.773 CB 1.694 45 residues pruned to eliminate duplicates Z: 63 49.014 2.152 0.726 0.636 0.935 0.694 CB 1.577 63 residues pruned to eliminate duplicates Z: 45 57.551 2.297 0.838 0.720 0.977 0.773 CB 1.724 45 residues pruned to eliminate duplicates Z: 32 40.197 2.259 0.784 0.594 1.000 0.710 CA 1.638 32 residues pruned to eliminate duplicates Z: 47 47.834 2.255 0.684 0.684 0.978 0.717 CB 1.604 47 residues pruned to eliminate duplicates Z: 24 27.933 2.126 0.758 0.527 0.913 0.609 CB 1.662 24 residues pruned to eliminate duplicates Z: 46 52.835 2.273 0.693 0.733 0.978 0.733 CA 1.697 46 residues pruned to eliminate duplicates Z: 27 31.716 2.199 0.396 0.841 1.000 0.962 CA 1.510 27 residues pruned to eliminate duplicates Z: 46 57.345 2.293 0.846 0.734 0.956 0.733 CB 1.711 46 residues pruned to eliminate duplicates Z: 25 48.298 2.268 1.017 0.880 0.958 0.875 CA 1.630 25 residues pruned to eliminate duplicates Z: 47 56.212 2.280 0.910 0.696 0.913 0.609 CB 1.743 47 residues pruned to eliminate duplicates Z: 50 43.088 2.266 0.687 0.655 0.857 0.490 CB 1.626 50 residues pruned to eliminate duplicates Z: 15 36.092 2.292 1.057 0.882 1.000 0.500 CB 1.480 15 residues pruned to eliminate duplicates Z: 43 55.085 2.354 0.769 0.744 0.952 0.643 CB 1.723 43 residues pruned to eliminate duplicates Z: 45 49.616 2.242 0.929 0.707 0.886 0.500 CB 1.618 45 residues pruned to eliminate duplicates Z: 46 64.101 2.268 1.110 0.734 0.978 0.711 CB 1.655 46 residues pruned to eliminate duplicates Z: 23 48.861 2.380 1.003 0.920 1.000 0.545 CB 1.539 23 residues pruned to eliminate duplicates Z: 58 50.421 2.212 0.833 0.640 0.930 0.439 CB 1.554 58 residues pruned to eliminate duplicates Z: 87 62.023 2.187 0.769 0.700 0.930 0.616 CB 1.549 86 residues pruned to eliminate duplicates Z: 25 51.667 2.292 1.076 0.945 1.000 0.417 CB 1.534 25 residues pruned to eliminate duplicates Z: 46 57.392 2.220 0.996 0.714 0.956 0.467 CB 1.664 46 residues pruned to eliminate duplicates Z: 24 45.117 2.275 1.151 0.836 0.913 0.435 CB 1.576 24 residues pruned to eliminate duplicates Z: 42 60.852 2.373 1.042 0.766 0.927 0.561 CB 1.672 42 residues pruned to eliminate duplicates Z: 23 45.542 2.400 1.122 0.876 0.864 0.364 CB 1.604 23 residues pruned to eliminate duplicates Z: 56 53.464 2.226 1.027 0.639 0.891 0.345 CB 1.575 56 residues pruned to eliminate duplicates Z: 89 63.054 2.157 0.881 0.722 0.920 0.636 CB 1.472 89 residues pruned to eliminate duplicates Z: 17 29.072 2.191 1.234 0.697 0.750 0.312 CB 1.654 17 residues pruned to eliminate duplicates Z: 30 43.785 2.271 0.965 0.696 0.966 0.276 CB 1.578 30 residues pruned to eliminate duplicates Z: 24 47.910 2.345 1.202 0.871 0.913 0.435 CB 1.546 24 residues pruned to eliminate duplicates Z: 79 60.906 2.199 0.840 0.706 0.897 0.551 CB 1.574 79 residues pruned to eliminate duplicates Z: 25 22.056 2.017 0.817 0.619 0.792 0.167 CB 1.387 25 residues pruned to eliminate duplicates Z: 39 28.290 2.075 0.520 0.701 0.868 0.711 CB 1.395 39 residues pruned to eliminate duplicates Z: 105 67.186 2.217 0.675 0.704 0.942 0.692 CB 1.563 105 residues pruned to eliminate duplicates Z: 30 26.182 2.050 0.354 0.851 0.897 0.759 CB 1.445 30 residues pruned to eliminate duplicates Z: 37 30.932 2.105 0.444 0.733 0.917 0.722 CB 1.500 37 residues pruned to eliminate duplicates Z: 37 30.030 2.084 0.409 0.752 0.917 0.750 CB 1.485 37 residues pruned to eliminate duplicates Z: 35 33.501 2.116 0.474 0.761 0.971 0.676 CB 1.505 35 residues pruned to eliminate duplicates Z: 40 27.137 2.073 0.457 0.694 0.846 0.667 CB 1.425 40 residues pruned to eliminate duplicates Z: 30 27.476 2.075 0.444 0.816 0.897 0.690 CB 1.442 30 residues pruned to eliminate duplicates Z: 36 34.202 2.108 0.620 0.759 0.914 0.714 CB 1.470 36 residues pruned to eliminate duplicates Z: 22 26.566 2.108 0.399 0.862 0.952 0.714 CB 1.516 22 residues pruned to eliminate duplicates Z: 34 35.598 2.180 0.526 0.762 0.939 0.667 CB 1.572 34 residues pruned to eliminate duplicates Z: 29 32.723 2.129 0.595 0.857 0.929 0.714 CB 1.445 29 residues pruned to eliminate duplicates Z: 23 26.041 2.175 0.524 0.837 0.864 0.818 CB 1.451 23 residues pruned to eliminate duplicates Z: 25 22.715 2.123 0.635 0.740 0.833 0.667 CB 1.293 25 residues pruned to eliminate duplicates Z: 33 29.035 2.067 0.569 0.759 0.938 0.625 CB 1.341 33 residues pruned to eliminate duplicates Z: 37 33.045 2.066 0.657 0.715 0.917 0.611 CB 1.444 37 residues pruned to eliminate duplicates Z: 29 34.003 2.122 0.665 0.860 0.929 0.714 CB 1.441 29 residues pruned to eliminate duplicates Z: 29 32.256 2.126 0.642 0.854 0.929 0.750 CB 1.389 29 residues pruned to eliminate duplicates Z: 31 34.516 2.071 0.779 0.824 0.900 0.500 CB 1.436 31 residues pruned to eliminate duplicates Z: 34 33.999 2.080 0.968 0.644 0.909 0.455 CB 1.391 34 residues pruned to eliminate duplicates Z: 36 37.556 2.129 0.745 0.747 0.943 0.571 CB 1.453 36 residues pruned to eliminate duplicates Z: 36 38.917 2.134 0.834 0.729 0.943 0.543 CB 1.451 36 residues pruned to eliminate duplicates Z: 37 36.748 2.065 0.833 0.709 0.917 0.333 CB 1.460 37 residues pruned to eliminate duplicates Z: 34 39.637 2.122 0.862 0.743 0.939 0.485 CB 1.495 34 residues pruned to eliminate duplicates Z: 35 39.245 2.076 0.985 0.752 0.912 0.441 CB 1.431 35 residues pruned to eliminate duplicates Z: 34 43.708 2.111 1.006 0.799 0.939 0.485 CB 1.472 34 residues pruned to eliminate duplicates Z: 108 72.210 2.186 0.847 0.687 0.935 0.692 CB 1.559 108 residues pruned to eliminate duplicates Z: 28 37.939 2.277 0.937 0.728 0.889 0.519 CB 1.516 28 residues pruned to eliminate duplicates Z: 101 72.496 2.188 0.887 0.722 0.950 0.610 CB 1.512 101 residues pruned to eliminate duplicates Z: 35 42.653 2.146 0.838 0.772 0.971 0.676 CB 1.503 35 residues pruned to eliminate duplicates Z: 28 39.494 2.229 0.965 0.751 0.926 0.370 CB 1.498 28 residues pruned to eliminate duplicates Z: 36 36.877 2.141 0.779 0.752 0.914 0.600 CB 1.430 36 residues pruned to eliminate duplicates Z: 66 57.674 2.224 0.912 0.657 0.938 0.585 CB 1.549 66 residues pruned to eliminate duplicates Z: 37 37.177 2.089 0.874 0.730 0.889 0.556 CB 1.448 37 residues pruned to eliminate duplicates Z: 39 35.402 2.025 0.840 0.697 0.921 0.447 CB 1.398 39 residues pruned to eliminate duplicates Z: 38 35.911 2.036 0.765 0.715 0.946 0.459 CB 1.429 38 residues pruned to eliminate duplicates Z: 77 55.889 2.212 0.782 0.632 0.934 0.724 CA 1.538 77 residues pruned to eliminate duplicates Z: 66 52.924 2.239 0.856 0.650 0.908 0.585 CB 1.514 66 residues pruned to eliminate duplicates Z: 102 73.996 2.189 0.824 0.720 0.960 0.634 CB 1.573 102 residues pruned to eliminate duplicates Z: 73 57.496 2.219 0.807 0.664 0.931 0.694 CB 1.559 73 residues pruned to eliminate duplicates Z: 34 38.769 2.219 1.013 0.552 0.909 0.576 CB 1.579 34 residues pruned to eliminate duplicates Z: 71 61.130 2.252 0.856 0.662 0.943 0.700 CB 1.596 71 residues pruned to eliminate duplicates Z: 70 59.847 2.256 0.769 0.686 0.957 0.739 CA 1.592 70 residues pruned to eliminate duplicates Z: 71 59.810 2.242 0.726 0.692 0.986 0.671 CB 1.572 71 residues pruned to eliminate duplicates Z: 69 58.553 2.257 0.737 0.692 0.956 0.676 CB 1.589 69 residues pruned to eliminate duplicates Z: 67 59.789 2.239 0.755 0.712 0.970 0.712 CA 1.593 67 residues pruned to eliminate duplicates Z: 33 39.863 2.283 0.846 0.570 0.938 0.438 CB 1.667 33 residues pruned to eliminate duplicates Z: 67 60.073 2.230 0.813 0.701 0.955 0.758 CA 1.596 67 residues pruned to eliminate duplicates Z: 70 62.802 2.272 0.842 0.683 0.957 0.841 CB 1.596 70 residues pruned to eliminate duplicates Z: 27 36.892 2.296 0.887 0.560 0.962 0.615 CA 1.638 27 residues pruned to eliminate duplicates Z: 72 61.007 2.222 0.818 0.678 0.972 0.718 CB 1.565 72 residues pruned to eliminate duplicates Z: 71 60.155 2.255 0.766 0.683 0.971 0.700 CA 1.571 71 residues pruned to eliminate duplicates Z: 72 60.195 2.243 0.853 0.654 0.958 0.718 CA 1.555 72 residues pruned to eliminate duplicates Z: 71 57.326 2.238 0.767 0.668 0.971 0.757 CA 1.527 71 residues pruned to eliminate duplicates Z: 73 54.788 2.208 0.707 0.657 0.972 0.736 CA 1.523 73 residues pruned to eliminate duplicates Z: 65 57.967 2.286 0.711 0.708 0.969 0.844 CA 1.583 65 residues pruned to eliminate duplicates Z: 66 58.396 2.245 0.769 0.709 0.938 0.769 CA 1.607 66 residues pruned to eliminate duplicates Z: 31 44.152 2.360 1.008 0.561 0.967 0.733 CA 1.658 31 residues pruned to eliminate duplicates Z: 70 64.343 2.268 0.912 0.678 0.957 0.797 CA 1.586 70 residues pruned to eliminate duplicates Z: 58 61.028 2.291 0.857 0.686 1.000 0.789 CA 1.603 58 residues pruned to eliminate duplicates Z: 67 61.315 2.240 0.859 0.690 0.985 0.773 CA 1.546 67 residues pruned to eliminate duplicates Z: 70 62.877 2.249 0.829 0.673 0.986 0.754 CA 1.593 70 residues pruned to eliminate duplicates Z: 74 58.657 2.196 0.830 0.633 0.973 0.699 CA 1.550 74 residues pruned to eliminate duplicates Z: 71 60.884 2.249 0.804 0.671 0.971 0.714 CA 1.577 71 residues pruned to eliminate duplicates Z: 62 62.159 2.270 0.872 0.739 0.967 0.738 CA 1.563 62 residues pruned to eliminate duplicates Z: 77 54.656 2.189 0.687 0.644 0.974 0.711 CA 1.524 77 residues pruned to eliminate duplicates Z: 72 59.692 2.219 0.788 0.676 0.972 0.690 CA 1.561 72 residues pruned to eliminate duplicates Z: 67 58.608 2.229 0.742 0.700 0.970 0.758 CA 1.596 67 residues pruned to eliminate duplicates Z: 70 56.719 2.260 0.718 0.679 0.957 0.754 CA 1.560 70 residues pruned to eliminate duplicates Z: 67 57.372 2.238 0.731 0.699 0.985 0.758 CA 1.544 67 residues pruned to eliminate duplicates Z: 68 56.764 2.245 0.672 0.723 0.985 0.791 CA 1.533 68 residues pruned to eliminate duplicates Z: 79 57.766 2.215 0.759 0.646 0.936 0.744 CB 1.565 79 residues pruned to eliminate duplicates Z: 72 56.904 2.237 0.757 0.670 0.944 0.746 CB 1.556 72 residues pruned to eliminate duplicates Z: 67 59.994 2.232 0.790 0.704 0.970 0.697 CA 1.583 67 residues pruned to eliminate duplicates Z: 84 67.735 2.237 0.878 0.671 0.976 0.723 CB 1.549 100 residues pruned to eliminate duplicates Z: 16 30.701 2.174 1.099 0.900 0.933 0.667 CA 1.330 16 residues pruned to eliminate duplicates Z: 68 60.842 2.245 0.798 0.707 0.970 0.687 CA 1.573 68 residues pruned to eliminate duplicates Z: 66 67.773 2.277 0.926 0.728 0.985 0.738 CA 1.585 66 residues pruned to eliminate duplicates Z: 73 57.941 2.186 0.787 0.663 0.972 0.722 CA 1.546 73 residues pruned to eliminate duplicates Z: 71 55.933 2.258 0.738 0.661 0.914 0.700 CA 1.605 71 residues pruned to eliminate duplicates Z: 106 72.614 2.198 0.857 0.695 0.952 0.571 CB 1.525 106 residues pruned to eliminate duplicates Z: 88 60.460 2.187 0.730 0.667 0.931 0.690 CB 1.577 88 residues pruned to eliminate duplicates Z: 67 62.702 2.247 0.890 0.691 0.970 0.682 CA 1.575 67 residues pruned to eliminate duplicates Z: 112 72.052 2.214 0.932 0.664 0.928 0.604 CB 1.480 112 residues pruned to eliminate duplicates Z: 86 60.759 2.196 0.847 0.640 0.941 0.624 CB 1.515 86 residues pruned to eliminate duplicates Z: 43 46.025 2.173 0.865 0.740 0.952 0.762 CB 1.484 43 residues pruned to eliminate duplicates Z: 67 61.771 2.255 0.846 0.703 0.970 0.742 CB 1.566 67 residues pruned to eliminate duplicates Z: 72 60.584 2.221 0.831 0.661 0.972 0.718 CB 1.567 72 residues pruned to eliminate duplicates Z: 71 61.630 2.256 0.840 0.673 0.943 0.714 CA 1.605 71 residues pruned to eliminate duplicates Z: 70 63.695 2.254 0.875 0.680 0.986 0.739 CB 1.560 70 residues pruned to eliminate duplicates Z: 71 63.221 2.242 0.861 0.677 0.971 0.700 CB 1.584 71 residues pruned to eliminate duplicates Z: 71 64.679 2.254 0.910 0.685 0.957 0.743 CB 1.583 71 residues pruned to eliminate duplicates Z: 71 60.433 2.211 0.842 0.682 0.971 0.614 CA 1.544 71 residues pruned to eliminate duplicates Z: 69 60.886 2.280 0.796 0.679 0.956 0.721 CA 1.600 69 residues pruned to eliminate duplicates Z: 107 70.519 2.211 0.808 0.679 0.934 0.660 CB 1.557 107 residues pruned to eliminate duplicates Z: 64 67.428 2.244 0.943 0.735 0.984 0.730 CB 1.603 64 residues pruned to eliminate duplicates Z: 77 62.610 2.241 0.869 0.636 0.961 0.684 CB 1.572 77 residues pruned to eliminate duplicates Z: 70 63.046 2.263 0.865 0.669 0.957 0.725 CA 1.608 70 residues pruned to eliminate duplicates Z: 72 65.365 2.237 0.869 0.678 0.986 0.690 CB 1.597 72 residues pruned to eliminate duplicates Z: 66 66.381 2.278 0.922 0.716 0.969 0.754 CA 1.595 66 residues pruned to eliminate duplicates Z: 70 64.194 2.262 0.908 0.677 0.942 0.681 CB 1.615 70 residues pruned to eliminate duplicates Z: 73 61.312 2.208 0.875 0.663 0.972 0.667 CA 1.543 73 residues pruned to eliminate duplicates Z: 70 66.905 2.265 0.948 0.682 0.971 0.754 CB 1.591 70 residues pruned to eliminate duplicates Z: 11 8.092 1.898 0.331 0.511 0.900 0.400 CB 1.113 11 residues pruned to eliminate duplicates Z: 71 62.976 2.233 0.853 0.688 0.986 0.657 CB 1.554 71 residues pruned to eliminate duplicates Z: 100 66.909 2.172 0.887 0.681 0.980 0.646 CB 1.419 100 residues pruned to eliminate duplicates Z: 84 65.345 2.242 0.798 0.672 0.988 0.759 CB 1.537 84 residues pruned to eliminate duplicates Z: 100 64.795 2.155 0.881 0.674 0.980 0.687 CB 1.397 100 residues pruned to eliminate duplicates Z: 83 69.952 2.252 0.916 0.684 0.963 0.683 CB 1.570 83 residues pruned to eliminate duplicates Z: 18 19.706 1.848 1.104 0.519 0.941 0.412 CB 1.282 18 residues pruned to eliminate duplicates Z: 39 31.267 2.082 0.766 0.621 0.947 0.500 CB 1.299 39 residues pruned to eliminate duplicates Z: 28 30.400 2.140 0.828 0.552 0.963 0.667 CB 1.476 28 residues pruned to eliminate duplicates Z: 18 24.845 2.170 1.050 0.639 0.882 0.471 CB 1.347 18 residues pruned to eliminate duplicates Z: 25 32.141 2.252 0.932 0.576 0.917 0.667 CB 1.529 25 residues pruned to eliminate duplicates Z: 43 28.816 2.044 0.761 0.616 0.881 0.476 CB 1.257 43 residues pruned to eliminate duplicates Z: 45 32.377 2.009 0.787 0.607 0.977 0.659 CB 1.257 45 residues pruned to eliminate duplicates Z: 6 6.346 1.570 0.351 0.673 1.000 0.800 CB 1.140 6 residues pruned to eliminate duplicates Z: 18 16.246 2.062 0.486 0.586 0.882 0.588 CB 1.343 18 residues pruned to eliminate duplicates Z: 7 2.964 1.439 0.245 0.403 0.667 0.500 N 1.122 7 residues pruned to eliminate duplicates Z: 19 17.397 1.943 0.392 0.704 0.944 0.722 CB 1.333 26 residues pruned to eliminate duplicates 381 residues left after pruning, divided into chains as follows: A: 10 B: 51 C: 65 D: 12 E: 22 F: 27 G: 194 CC for partial structure against native data = 38.17 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.481, Connect. = 0.738 for dens.mod. cycle 1 = 0.301, Contrast = 0.561, Connect. = 0.765 for dens.mod. cycle 2 = 0.302, Contrast = 0.676, Connect. = 0.796 for dens.mod. cycle 3 = 0.301, Contrast = 0.685, Connect. = 0.798 for dens.mod. cycle 4 = 0.302, Contrast = 0.700, Connect. = 0.800 for dens.mod. cycle 5 = 0.302, Contrast = 0.704, Connect. = 0.801 for dens.mod. cycle 6 = 0.302, Contrast = 0.711, Connect. = 0.802 for dens.mod. cycle 7 = 0.302, Contrast = 0.712, Connect. = 0.803 for dens.mod. cycle 8 = 0.302, Contrast = 0.716, Connect. = 0.804 for dens.mod. cycle 9 TimeTaking 147.78