null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:26:49 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: ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.ins Phases from ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.phi Native data from ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.hkl Listing output to ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.lst Phases output to ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.phs Poly-Ala trace output to ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 45457 Reflections read from file ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.phi 45457 Reflections read from file ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.hkl 45457 Unique data, highest resolution = 2.050 Angstroms Anisotropic scaling: intensities multiplied by 0.000033h^2 +0.000033k^2 -0.000005l^2 +0.000000kl +0.000000hl +0.000033hk 58 Reflections with d > 2.250 and 0 in range 2.250 > d > 2.050 added Density sharpening factor set to 0.68 Fourier grid = 256 x 256 x 60 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.790 = 0.300, Contrast = 0.452, Connect. = 0.735 for dens.mod. cycle 1 = 0.300, Contrast = 0.467, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.542, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.562, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.578, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.588, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.596, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.601, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.605, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.608, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3867 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 769 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 16.284 1.955 0.870 0.454 0.824 0.471 CA 1.376 B: 9 13.091 2.097 0.481 0.497 1.000 0.750 CA 1.495 9 residues pruned to eliminate duplicates C: 14 19.992 2.145 0.655 0.927 1.000 0.923 CB 1.095 D: 13 23.709 2.110 0.758 0.888 0.917 0.750 CB 1.451 E: 12 30.606 2.126 1.101 0.925 1.000 0.909 CA 1.450 13 residues pruned to eliminate duplicates F: 21 30.063 1.981 0.852 0.894 0.950 0.550 CA 1.383 G: 16 19.902 1.931 0.675 0.909 1.000 0.800 CB 1.127 H: 12 25.025 2.117 0.675 0.897 1.000 0.636 CA 1.524 12 residues pruned to eliminate duplicates I: 18 13.286 1.891 0.483 0.879 1.000 0.824 CB 0.833 J: 13 23.278 2.099 0.914 0.916 1.000 0.750 CB 1.181 K: 11 10.583 1.877 0.715 0.427 0.900 0.400 CB 1.246 L: 13 16.416 2.047 0.348 0.919 1.000 1.000 CB 1.210 13 residues pruned to eliminate duplicates M: 20 15.189 1.923 0.719 0.380 0.842 0.368 CA 1.424 19 residues pruned to eliminate duplicates N: 18 21.171 1.939 0.757 0.903 1.000 0.706 CB 1.074 18 residues pruned to eliminate duplicates O: 11 7.672 1.806 1.002 0.415 0.700 0.500 CB 1.047 P: 13 19.958 2.100 0.378 0.919 1.000 0.750 CA 1.403 Q: 45 28.704 1.988 0.889 0.492 0.909 0.591 CB 1.277 24 residues pruned to eliminate duplicates R: 7 7.164 2.104 -0.002 0.875 1.000 0.833 CB 1.012 7 residues pruned to eliminate duplicates S: 15 15.035 1.842 0.612 0.621 0.929 0.714 CA 1.300 9 residues pruned to eliminate duplicates T: 19 22.059 1.913 0.901 0.888 1.000 0.889 CB 1.030 18 residues pruned to eliminate duplicates U: 13 26.952 2.143 0.903 0.909 0.917 0.750 CB 1.477 12 residues pruned to eliminate duplicates V: 18 17.717 1.987 0.849 0.510 0.824 0.529 CA 1.406 18 residues pruned to eliminate duplicates W: 11 11.745 1.788 0.992 0.429 0.900 0.700 CA 1.247 X: 16 17.051 1.917 0.552 0.937 1.000 0.933 CA 1.030 14 residues pruned to eliminate duplicates Y: 10 17.372 2.033 0.899 0.872 1.000 0.667 CB 1.092 Z: 24 14.502 1.985 0.550 0.458 0.870 0.565 CB 1.180 11 residues pruned to eliminate duplicates Z: 18 17.195 1.969 0.742 0.535 0.882 0.529 CB 1.331 18 residues pruned to eliminate duplicates Z: 19 13.246 1.989 0.647 0.393 0.778 0.556 CA 1.372 19 residues pruned to eliminate duplicates Z: 17 15.945 1.902 0.792 0.910 1.000 0.812 CB 0.829 18 residues pruned to eliminate duplicates Z: 19 17.267 1.926 0.587 0.858 1.000 0.778 CB 0.980 17 residues pruned to eliminate duplicates Z: 20 24.477 1.870 0.795 0.921 0.947 0.789 CB 1.243 11 residues pruned to eliminate duplicates Z: 21 24.848 1.915 0.779 0.875 0.950 0.500 CA 1.248 21 residues pruned to eliminate duplicates Z: 23 13.947 1.863 0.766 0.443 0.864 0.727 CB 1.109 25 residues pruned to eliminate duplicates Z: 13 22.913 2.083 0.894 0.902 1.000 0.750 CB 1.196 18 residues pruned to eliminate duplicates Z: 12 30.016 2.170 0.933 0.929 1.000 0.818 CA 1.510 13 residues pruned to eliminate duplicates Z: 13 28.120 1.985 1.093 0.930 1.000 0.750 CB 1.366 13 residues pruned to eliminate duplicates Z: 21 15.112 1.917 0.665 0.403 0.800 0.450 CA 1.466 21 residues pruned to eliminate duplicates Z: 7 7.657 1.688 0.601 0.855 1.000 0.667 CA 0.854 7 residues pruned to eliminate duplicates Z: 8 6.931 1.909 0.383 0.349 1.000 0.571 CB 1.168 Z: 17 12.546 1.900 0.670 0.470 0.875 0.500 CB 1.165 17 residues pruned to eliminate duplicates Z: 13 25.168 2.002 1.001 0.913 1.000 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 7 6.268 1.605 0.358 0.694 1.000 0.500 CA 0.983 Z: 46 36.601 2.040 0.951 0.705 0.889 0.578 CB 1.280 38 residues pruned to eliminate duplicates Z: 16 21.909 1.968 1.065 0.944 1.000 0.667 CB 0.964 16 residues pruned to eliminate duplicates Z: 17 23.675 1.922 1.270 0.932 0.938 0.750 CB 1.011 17 residues pruned to eliminate duplicates Z: 20 27.819 2.039 0.698 0.932 1.000 0.789 CA 1.287 20 residues pruned to eliminate duplicates Z: 18 20.693 1.914 1.099 0.856 0.941 0.529 CB 0.979 18 residues pruned to eliminate duplicates Z: 8 13.349 1.836 0.622 0.770 1.000 0.857 CA 1.334 Z: 17 14.976 1.900 0.535 0.617 0.875 0.500 CB 1.314 Z: 17 16.897 2.078 0.562 0.500 0.875 0.625 CA 1.487 Z: 12 13.027 2.022 0.839 0.915 0.909 0.636 CB 0.821 12 residues pruned to eliminate duplicates Z: 16 29.802 2.056 1.102 0.924 1.000 0.800 CB 1.250 16 residues pruned to eliminate duplicates Z: 20 30.764 2.063 0.917 0.881 0.947 0.632 CA 1.364 20 residues pruned to eliminate duplicates Z: 20 28.052 1.943 0.787 0.908 1.000 0.842 CB 1.317 19 residues pruned to eliminate duplicates Z: 19 22.416 1.951 1.149 0.828 0.889 0.500 CB 1.067 19 residues pruned to eliminate duplicates Z: 15 30.147 2.056 1.330 0.950 1.000 0.714 CB 1.160 22 residues pruned to eliminate duplicates Z: 7 9.639 1.663 0.520 0.762 1.000 1.000 CA 1.234 7 residues pruned to eliminate duplicates Z: 10 19.096 1.980 0.996 0.864 1.000 0.889 CA 1.181 Z: 7 8.460 1.739 0.558 0.731 1.000 0.833 CB 1.036 Z: 6 8.081 1.794 0.465 0.773 1.000 0.600 CB 1.080 Z: 37 19.968 1.956 0.870 0.572 0.806 0.417 CB 1.054 25 residues pruned to eliminate duplicates Z: 17 11.127 1.929 0.460 0.411 0.812 0.438 CA 1.335 8 residues pruned to eliminate duplicates Z: 6 5.134 1.489 0.427 0.403 1.000 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 15 18.638 2.140 0.557 0.922 0.929 0.857 CB 1.132 15 residues pruned to eliminate duplicates Z: 20 29.526 2.010 0.769 0.919 0.947 0.737 CA 1.417 20 residues pruned to eliminate duplicates Z: 43 37.070 2.004 0.939 0.733 0.929 0.452 CB 1.286 51 residues pruned to eliminate duplicates Z: 15 12.066 1.985 0.078 0.951 1.000 1.000 CB 1.039 15 residues pruned to eliminate duplicates Z: 12 24.460 2.114 1.177 0.912 1.000 0.545 CB 1.135 12 residues pruned to eliminate duplicates Z: 19 29.322 1.981 0.889 0.913 0.944 0.667 CB 1.384 19 residues pruned to eliminate duplicates Z: 17 12.102 1.764 0.965 0.405 0.750 0.688 CB 1.286 Z: 16 27.289 1.955 1.101 0.872 1.000 0.667 CB 1.250 15 residues pruned to eliminate duplicates Z: 20 24.968 1.862 0.765 0.886 0.947 0.842 CB 1.328 19 residues pruned to eliminate duplicates Z: 14 12.283 1.882 0.593 0.429 0.923 0.692 CA 1.325 12 residues pruned to eliminate duplicates Z: 13 26.692 2.045 1.081 0.908 0.917 0.833 CA 1.403 13 residues pruned to eliminate duplicates Z: 22 24.400 1.908 0.756 0.852 0.952 0.714 CA 1.234 22 residues pruned to eliminate duplicates Z: 12 8.710 1.807 1.001 0.420 0.727 0.545 CB 1.085 12 residues pruned to eliminate duplicates Z: 6 3.057 1.565 0.355 0.467 0.600 0.400 C 1.112 Z: 7 5.246 1.679 0.760 0.455 0.667 0.500 CB 1.138 Z: 16 17.759 1.840 0.374 0.898 1.000 0.800 CB 1.297 Z: 14 27.331 2.007 1.111 0.907 0.923 0.692 CA 1.377 13 residues pruned to eliminate duplicates Z: 21 26.519 2.016 0.588 0.828 1.000 0.800 CB 1.395 21 residues pruned to eliminate duplicates Z: 18 26.885 1.955 1.062 0.909 0.824 0.471 CB 1.393 19 residues pruned to eliminate duplicates Z: 10 24.716 1.996 1.232 0.920 1.000 0.889 CA 1.303 10 residues pruned to eliminate duplicates Z: 20 31.880 1.989 0.888 0.891 1.000 0.316 CA 1.399 20 residues pruned to eliminate duplicates Z: 12 34.292 2.106 1.260 0.937 1.000 0.818 CB 1.513 13 residues pruned to eliminate duplicates Z: 12 11.429 1.774 0.639 0.602 0.909 0.727 CA 1.183 Z: 17 14.669 1.895 0.742 0.812 0.938 0.750 CB 0.903 17 residues pruned to eliminate duplicates Z: 13 27.835 2.130 1.302 0.909 0.917 0.583 CB 1.269 23 residues pruned to eliminate duplicates Z: 15 14.598 1.943 0.572 0.944 1.000 0.929 CB 0.885 15 residues pruned to eliminate duplicates Z: 13 15.478 1.877 0.923 0.563 0.833 0.750 CB 1.397 13 residues pruned to eliminate duplicates Z: 15 11.971 1.807 0.293 0.876 0.929 0.857 CB 1.071 Z: 15 15.843 2.082 0.074 0.930 1.000 1.000 CA 1.325 15 residues pruned to eliminate duplicates Z: 19 12.743 1.782 0.405 0.852 0.944 0.722 CB 0.939 19 residues pruned to eliminate duplicates Z: 12 8.931 1.717 0.892 0.553 0.818 0.727 CB 0.962 12 residues pruned to eliminate duplicates Z: 12 24.156 2.125 0.879 0.912 1.000 0.545 CB 1.291 12 residues pruned to eliminate duplicates Z: 17 26.805 2.066 0.550 0.923 1.000 0.562 CA 1.470 17 residues pruned to eliminate duplicates Z: 20 21.787 1.891 0.552 0.909 1.000 0.842 CA 1.209 20 residues pruned to eliminate duplicates Z: 8 12.002 1.756 1.029 0.893 0.857 0.571 CB 1.066 7 residues pruned to eliminate duplicates Z: 16 14.209 1.822 0.118 0.922 1.000 0.933 CA 1.266 16 residues pruned to eliminate duplicates Z: 18 33.189 1.988 1.002 0.942 0.941 0.647 CB 1.491 20 residues pruned to eliminate duplicates Z: 25 23.174 2.014 0.910 0.428 0.958 0.625 CA 1.383 18 residues pruned to eliminate duplicates Z: 6 4.825 1.468 0.681 0.547 0.800 0.800 CB 1.044 Z: 6 7.641 1.763 0.584 0.794 0.800 0.600 CA 1.182 6 residues pruned to eliminate duplicates Z: 17 12.607 1.819 0.686 0.416 0.875 0.688 CB 1.283 4 residues pruned to eliminate duplicates Z: 26 23.264 2.064 0.694 0.644 0.920 0.720 CB 1.264 26 residues pruned to eliminate duplicates Z: 64 27.608 1.823 0.541 0.606 0.952 0.571 CB 1.175 48 residues pruned to eliminate duplicates Z: 33 20.680 1.808 0.602 0.635 0.906 0.531 CB 1.228 33 residues pruned to eliminate duplicates Z: 25 11.672 1.797 0.425 0.315 0.833 0.458 CB 1.371 25 residues pruned to eliminate duplicates Z: 6 5.574 1.736 0.254 0.834 1.000 0.600 CB 0.858 6 residues pruned to eliminate duplicates Z: 20 26.245 1.901 0.855 0.914 1.000 0.842 CA 1.208 20 residues pruned to eliminate duplicates Z: 12 33.665 2.171 1.169 0.930 1.000 0.636 CA 1.507 12 residues pruned to eliminate duplicates Z: 8 9.265 1.738 0.588 0.875 0.857 0.714 CB 1.077 Z: 14 21.629 2.143 0.638 0.919 1.000 0.846 CB 1.204 14 residues pruned to eliminate duplicates Z: 26 12.768 1.662 0.391 0.711 0.920 0.720 CB 0.991 26 residues pruned to eliminate duplicates Z: 13 14.112 2.101 0.296 0.871 0.833 0.750 CA 1.310 13 residues pruned to eliminate duplicates Z: 56 30.848 1.842 0.592 0.621 0.945 0.709 CB 1.339 62 residues pruned to eliminate duplicates Z: 31 17.869 1.964 0.506 0.602 0.833 0.667 CB 1.201 17 residues pruned to eliminate duplicates Z: 17 14.657 1.932 0.679 0.852 1.000 0.625 CB 0.836 17 residues pruned to eliminate duplicates Z: 13 7.051 1.707 0.529 0.399 0.917 0.417 CB 0.947 12 residues pruned to eliminate duplicates Z: 7 4.801 1.820 0.453 0.245 1.000 0.667 CB 0.995 6 residues pruned to eliminate duplicates Z: 10 5.707 1.708 0.590 0.348 0.778 0.556 CB 1.062 7 residues pruned to eliminate duplicates Z: 12 19.966 2.139 0.906 0.878 1.000 0.727 CB 1.072 12 residues pruned to eliminate duplicates Z: 12 15.546 1.767 0.727 0.882 1.000 0.727 CA 1.112 11 residues pruned to eliminate duplicates Z: 52 32.030 1.875 0.848 0.713 0.902 0.471 CB 1.183 51 residues pruned to eliminate duplicates Z: 12 25.360 2.112 1.107 0.937 1.000 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 25 13.400 1.743 0.573 0.344 0.917 0.542 CB 1.290 Z: 14 15.208 1.818 0.437 0.831 1.000 0.692 CB 1.214 14 residues pruned to eliminate duplicates Z: 15 12.818 1.806 0.162 0.890 0.929 0.929 CB 1.265 15 residues pruned to eliminate duplicates Z: 13 20.482 2.017 0.782 0.902 1.000 0.500 CB 1.174 13 residues pruned to eliminate duplicates Z: 39 19.254 1.908 0.622 0.397 0.816 0.421 CA 1.379 35 residues pruned to eliminate duplicates Z: 6 7.573 1.822 0.223 0.851 1.000 0.600 CA 1.126 6 residues pruned to eliminate duplicates Z: 13 21.279 2.046 1.029 0.886 0.917 0.833 CA 1.165 13 residues pruned to eliminate duplicates Z: 17 11.309 1.786 0.697 0.629 0.812 0.438 CB 1.017 17 residues pruned to eliminate duplicates Z: 12 13.285 1.761 0.870 0.546 0.909 0.727 CB 1.279 15 residues pruned to eliminate duplicates Z: 13 24.750 2.162 1.210 0.930 1.000 0.500 CB 1.045 13 residues pruned to eliminate duplicates Z: 13 21.855 2.165 0.483 0.896 1.000 1.000 CA 1.408 13 residues pruned to eliminate duplicates Z: 16 13.593 1.716 0.124 0.910 1.000 1.000 CB 1.290 16 residues pruned to eliminate duplicates Z: 32 20.962 1.986 0.770 0.604 0.839 0.581 CB 1.156 28 residues pruned to eliminate duplicates Z: 13 27.041 2.156 0.936 0.891 1.000 0.833 CB 1.344 18 residues pruned to eliminate duplicates Z: 13 24.127 2.004 1.036 0.921 0.917 0.833 CB 1.310 13 residues pruned to eliminate duplicates Z: 9 8.978 1.683 0.425 0.787 1.000 0.500 CB 1.028 9 residues pruned to eliminate duplicates Z: 8 4.111 1.578 0.305 0.555 0.857 0.571 CA 0.834 6 residues pruned to eliminate duplicates Z: 6 2.087 1.517 0.810 0.494 0.600 0.600 CB 0.570 Z: 16 13.318 1.953 0.448 0.871 1.000 0.867 CB 0.887 16 residues pruned to eliminate duplicates Z: 27 6.889 1.655 0.406 0.206 0.731 0.346 CB 1.124 27 residues pruned to eliminate duplicates Z: 31 12.200 1.782 0.269 0.427 0.867 0.533 CA 1.226 23 residues pruned to eliminate duplicates Z: 17 17.391 1.812 0.494 0.903 1.000 0.625 CB 1.145 17 residues pruned to eliminate duplicates Z: 11 6.834 1.700 0.553 0.356 0.800 0.300 CB 1.196 Z: 10 13.245 1.919 0.377 0.903 1.000 1.000 CA 1.191 10 residues pruned to eliminate duplicates Z: 22 23.397 1.902 0.660 0.868 1.000 0.857 CA 1.182 22 residues pruned to eliminate duplicates Z: 6 5.313 1.660 1.071 0.486 0.600 0.600 CA 1.168 Z: 19 21.628 1.988 0.961 0.506 0.944 0.556 CB 1.376 19 residues pruned to eliminate duplicates Z: 10 10.263 1.685 0.425 0.798 0.889 0.556 CB 1.234 10 residues pruned to eliminate duplicates Z: 24 19.866 1.939 0.579 0.506 0.957 0.652 CA 1.406 25 residues pruned to eliminate duplicates Z: 10 13.461 1.781 0.825 0.888 1.000 0.889 CA 0.994 9 residues pruned to eliminate duplicates Z: 13 7.564 1.727 0.529 0.291 0.750 0.417 CA 1.393 13 residues pruned to eliminate duplicates Z: 16 26.580 2.038 0.999 0.905 0.933 0.667 CB 1.285 16 residues pruned to eliminate duplicates Z: 14 23.988 2.030 0.767 0.889 1.000 0.923 CB 1.336 13 residues pruned to eliminate duplicates Z: 20 24.831 1.965 0.682 0.893 0.947 0.368 CA 1.306 20 residues pruned to eliminate duplicates Z: 6 5.803 1.778 0.498 0.600 0.800 0.600 CB 1.107 Z: 13 21.849 2.136 0.795 0.931 1.000 1.000 CB 1.150 13 residues pruned to eliminate duplicates Z: 19 10.110 1.808 0.449 0.426 0.889 0.444 CB 1.106 14 residues pruned to eliminate duplicates Z: 19 32.624 2.026 0.931 0.931 0.944 0.500 CA 1.454 19 residues pruned to eliminate duplicates Z: 20 26.613 2.020 0.681 0.917 0.947 0.579 CA 1.339 20 residues pruned to eliminate duplicates Z: 17 16.721 1.771 0.377 0.894 1.000 0.812 CB 1.229 17 residues pruned to eliminate duplicates Z: 26 12.217 1.937 0.389 0.545 0.880 0.640 CB 0.987 14 residues pruned to eliminate duplicates Z: 27 19.868 1.871 0.924 0.486 0.962 0.577 CB 1.142 27 residues pruned to eliminate duplicates Z: 10 9.790 1.579 0.979 0.650 1.000 0.778 CA 0.908 16 residues pruned to eliminate duplicates Z: 20 27.532 1.917 0.971 0.901 1.000 0.789 CB 1.193 20 residues pruned to eliminate duplicates Z: 13 21.036 2.101 0.866 0.915 0.917 0.833 CB 1.194 13 residues pruned to eliminate duplicates Z: 15 13.473 1.813 0.253 0.870 0.929 0.571 CB 1.247 15 residues pruned to eliminate duplicates Z: 11 17.904 1.822 0.777 0.912 1.000 0.900 CB 1.239 11 residues pruned to eliminate duplicates Z: 20 26.650 1.995 0.841 0.911 0.947 0.842 CA 1.245 20 residues pruned to eliminate duplicates Z: 13 25.348 2.159 0.773 0.909 1.000 1.000 CB 1.357 13 residues pruned to eliminate duplicates Z: 7 4.657 1.760 0.148 0.487 0.833 0.667 CB 1.144 7 residues pruned to eliminate duplicates Z: 8 5.997 1.601 0.609 0.338 0.857 0.429 CB 1.225 Z: 8 7.575 1.645 0.479 0.806 0.857 0.857 CB 1.051 7 residues pruned to eliminate duplicates Z: 31 11.424 1.782 0.415 0.385 0.733 0.533 CB 1.274 31 residues pruned to eliminate duplicates Z: 6 5.554 1.760 0.296 0.457 0.800 0.400 CA 1.423 Z: 67 31.169 1.799 0.764 0.588 0.924 0.606 CB 1.202 67 residues pruned to eliminate duplicates Z: 9 6.353 1.850 0.792 0.559 0.750 0.625 CB 0.853 Z: 17 20.114 1.912 0.563 0.891 1.000 0.812 CB 1.210 17 residues pruned to eliminate duplicates Z: 17 14.269 1.768 0.325 0.866 0.938 0.688 CA 1.189 17 residues pruned to eliminate duplicates Z: 16 13.265 1.889 0.465 0.681 0.933 0.733 CB 1.122 16 residues pruned to eliminate duplicates Z: 8 5.379 1.630 0.527 0.335 0.857 0.714 CB 1.141 8 residues pruned to eliminate duplicates Z: 6 8.821 1.648 0.482 0.858 1.000 0.800 C 1.190 6 residues pruned to eliminate duplicates Z: 6 2.027 1.430 0.464 0.493 1.000 0.400 CB 0.436 Z: 7 3.714 1.444 0.645 0.373 0.667 0.500 CA 1.096 7 residues pruned to eliminate duplicates Z: 12 15.754 1.729 1.032 0.863 1.000 0.818 CA 0.992 12 residues pruned to eliminate duplicates Z: 19 22.353 1.911 0.648 0.889 0.944 0.778 CB 1.275 19 residues pruned to eliminate duplicates Z: 23 12.405 1.880 0.673 0.436 0.773 0.409 CB 1.162 23 residues pruned to eliminate duplicates Z: 7 4.380 1.587 0.667 0.255 0.833 0.667 CB 1.074 Z: 12 6.119 1.699 0.522 0.412 0.909 0.545 CB 0.860 Z: 20 18.562 1.902 0.340 0.901 0.947 0.632 CB 1.259 20 residues pruned to eliminate duplicates Z: 6 5.175 1.486 0.935 0.468 1.000 0.800 CB 0.832 Z: 19 27.040 2.045 0.804 0.911 0.889 0.722 CA 1.378 19 residues pruned to eliminate duplicates Z: 6 9.296 1.767 0.662 0.788 0.800 0.600 CA 1.373 6 residues pruned to eliminate duplicates Z: 12 4.858 1.713 0.226 0.369 0.636 0.364 CB 1.262 12 residues pruned to eliminate duplicates Z: 16 15.677 1.802 0.263 0.906 1.000 1.000 CA 1.266 16 residues pruned to eliminate duplicates Z: 19 23.723 1.964 0.530 0.888 0.944 0.556 CA 1.419 19 residues pruned to eliminate duplicates Z: 25 18.992 1.867 0.678 0.519 0.917 0.667 CA 1.325 25 residues pruned to eliminate duplicates Z: 25 15.873 1.910 0.647 0.542 0.917 0.542 CB 1.078 25 residues pruned to eliminate duplicates Z: 17 12.494 1.628 0.413 0.849 0.938 0.812 CB 1.073 Z: 10 12.804 2.007 0.600 0.622 0.889 0.667 CB 1.332 10 residues pruned to eliminate duplicates Z: 21 25.923 2.018 0.651 0.907 1.000 0.800 CA 1.236 21 residues pruned to eliminate duplicates Z: 19 27.783 1.956 0.851 0.933 0.944 0.556 CB 1.337 19 residues pruned to eliminate duplicates Z: 11 11.618 1.798 0.621 0.881 0.900 0.900 CA 1.014 11 residues pruned to eliminate duplicates Z: 22 17.404 1.903 0.827 0.480 0.905 0.524 CB 1.233 22 residues pruned to eliminate duplicates Z: 67 29.488 1.801 0.617 0.610 0.894 0.545 CB 1.256 67 residues pruned to eliminate duplicates Z: 13 9.243 1.724 0.446 0.383 0.917 0.333 CB 1.322 13 residues pruned to eliminate duplicates Z: 13 28.653 2.153 0.907 0.933 1.000 0.833 CB 1.406 13 residues pruned to eliminate duplicates Z: 25 15.777 1.921 0.660 0.510 0.917 0.625 CB 1.091 25 residues pruned to eliminate duplicates Z: 9 2.714 1.548 0.105 0.109 0.875 0.500 CB 1.053 7 residues pruned to eliminate duplicates Z: 12 13.071 1.949 0.859 0.499 0.818 0.545 CA 1.330 12 residues pruned to eliminate duplicates Z: 11 9.288 1.549 0.700 0.581 1.000 0.700 CB 1.031 Z: 22 15.560 1.834 0.602 0.568 0.952 0.667 CB 1.136 21 residues pruned to eliminate duplicates Z: 10 7.246 1.559 0.324 0.849 1.000 0.778 CA 0.867 Z: 31 12.437 1.869 0.493 0.406 0.700 0.533 CB 1.283 31 residues pruned to eliminate duplicates Z: 28 18.836 1.888 0.576 0.504 0.963 0.556 CB 1.260 66 residues pruned to eliminate duplicates Z: 7 6.505 1.809 0.801 0.397 0.667 0.500 CB 1.362 7 residues pruned to eliminate duplicates Z: 22 12.137 1.807 0.689 0.345 0.762 0.524 CB 1.348 28 residues pruned to eliminate duplicates Z: 25 13.279 1.915 0.465 0.424 0.792 0.500 CB 1.322 25 residues pruned to eliminate duplicates Z: 24 17.537 1.966 0.915 0.458 0.957 0.652 CB 1.060 24 residues pruned to eliminate duplicates Z: 52 42.070 2.038 0.823 0.756 0.961 0.804 CA 1.314 52 residues pruned to eliminate duplicates Z: 9 11.574 1.751 0.491 0.676 1.000 0.750 CB 1.334 10 residues pruned to eliminate duplicates Z: 13 6.301 1.816 0.250 0.325 0.833 0.500 CB 1.165 13 residues pruned to eliminate duplicates Z: 9 12.346 1.571 1.100 0.786 1.000 0.750 CB 1.029 9 residues pruned to eliminate duplicates Z: 9 8.712 1.654 0.290 0.809 1.000 0.625 CB 1.103 10 residues pruned to eliminate duplicates Z: 8 4.116 1.606 0.321 0.603 0.857 0.571 CA 0.776 8 residues pruned to eliminate duplicates Z: 13 5.726 1.571 0.500 0.397 0.750 0.417 CA 1.043 Z: 14 26.174 1.943 1.144 0.925 0.923 0.615 CB 1.325 14 residues pruned to eliminate duplicates Z: 12 14.325 1.959 0.824 0.771 0.818 0.727 CB 1.162 12 residues pruned to eliminate duplicates Z: 11 10.238 1.867 0.491 0.528 1.000 0.600 CA 1.132 11 residues pruned to eliminate duplicates Z: 15 14.768 1.630 0.679 0.933 1.000 0.571 CB 1.007 10 residues pruned to eliminate duplicates Z: 16 14.073 1.739 0.422 0.799 0.933 0.667 CA 1.212 16 residues pruned to eliminate duplicates Z: 38 44.542 2.067 1.025 0.817 0.973 0.703 CB 1.365 38 residues pruned to eliminate duplicates Z: 7 7.534 1.651 0.491 0.878 1.000 0.667 CB 0.907 7 residues pruned to eliminate duplicates Z: 22 15.013 1.791 0.776 0.545 0.952 0.571 CB 1.035 21 residues pruned to eliminate duplicates Z: 6 5.385 1.564 0.576 0.617 0.800 0.600 C 1.093 Z: 18 12.099 1.884 0.208 0.536 0.882 0.588 CA 1.410 18 residues pruned to eliminate duplicates Z: 17 15.741 1.819 0.276 0.892 0.938 0.812 CB 1.300 17 residues pruned to eliminate duplicates Z: 16 22.406 1.850 0.618 0.903 1.000 0.800 CB 1.378 16 residues pruned to eliminate duplicates Z: 12 22.026 2.122 0.641 0.935 1.000 0.909 CA 1.329 12 residues pruned to eliminate duplicates Z: 13 24.434 2.035 1.097 0.877 1.000 0.417 CB 1.201 13 residues pruned to eliminate duplicates Z: 16 13.054 1.797 0.243 0.815 0.933 0.733 CA 1.229 16 residues pruned to eliminate duplicates Z: 13 11.811 1.574 0.778 0.581 0.917 0.500 CB 1.230 Z: 15 22.781 1.996 0.843 0.885 1.000 0.929 CB 1.195 Z: 11 9.552 1.796 0.729 0.475 0.800 0.400 CB 1.248 11 residues pruned to eliminate duplicates Z: 7 3.270 1.524 0.712 0.778 0.667 0.667 CB 0.601 7 residues pruned to eliminate duplicates Z: 21 16.191 1.837 0.664 0.496 0.900 0.550 CA 1.322 22 residues pruned to eliminate duplicates Z: 25 15.429 1.886 0.477 0.480 0.875 0.667 CB 1.319 25 residues pruned to eliminate duplicates Z: 16 12.849 2.014 0.445 0.495 0.867 0.533 CB 1.321 16 residues pruned to eliminate duplicates Z: 9 5.423 1.752 0.639 0.417 0.625 0.500 CB 1.165 8 residues pruned to eliminate duplicates Z: 14 8.639 1.660 0.441 0.699 1.000 0.692 CB 0.835 14 residues pruned to eliminate duplicates Z: 15 17.112 1.818 0.469 0.896 1.000 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 34 18.059 1.841 0.710 0.457 0.879 0.515 CB 1.187 34 residues pruned to eliminate duplicates Z: 35 18.476 1.851 0.683 0.432 0.912 0.647 CB 1.197 34 residues pruned to eliminate duplicates Z: 22 14.081 1.993 0.501 0.407 0.905 0.429 CB 1.252 22 residues pruned to eliminate duplicates Z: 16 19.707 1.845 0.507 0.902 1.000 0.867 CA 1.305 16 residues pruned to eliminate duplicates Z: 28 18.464 1.672 0.586 0.705 0.963 0.741 CB 1.155 15 residues pruned to eliminate duplicates Z: 8 4.136 1.573 0.134 0.400 1.000 0.429 CB 0.973 8 residues pruned to eliminate duplicates Z: 8 8.534 1.753 0.664 0.780 0.857 0.571 CB 1.008 8 residues pruned to eliminate duplicates Z: 11 8.542 1.564 0.433 0.567 0.900 0.600 CA 1.255 11 residues pruned to eliminate duplicates Z: 16 15.526 1.615 0.715 0.903 1.000 0.467 CB 1.032 16 residues pruned to eliminate duplicates Z: 14 8.053 1.643 0.409 0.492 0.923 0.538 CB 1.054 13 residues pruned to eliminate duplicates Z: 21 20.640 1.797 0.619 0.857 1.000 0.750 CA 1.168 21 residues pruned to eliminate duplicates Z: 17 11.133 1.539 0.504 0.880 0.938 0.500 CB 0.929 17 residues pruned to eliminate duplicates Z: 14 7.097 1.745 0.520 0.347 0.769 0.462 CB 1.139 8 residues pruned to eliminate duplicates Z: 8 4.242 1.596 0.279 0.465 0.714 0.571 N 1.139 Z: 16 16.688 1.780 0.347 0.908 1.000 0.933 CA 1.277 16 residues pruned to eliminate duplicates Z: 21 19.365 2.047 0.651 0.505 0.950 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 7 6.323 1.603 0.221 0.785 1.000 0.833 CB 1.026 7 residues pruned to eliminate duplicates Z: 10 10.138 1.835 0.659 0.680 0.889 0.667 CB 1.058 11 residues pruned to eliminate duplicates Z: 16 17.354 1.895 1.280 0.886 0.933 0.533 CB 0.802 16 residues pruned to eliminate duplicates Z: 12 10.195 1.692 0.593 0.797 0.909 0.727 CA 0.967 12 residues pruned to eliminate duplicates Z: 18 15.899 1.843 0.573 0.638 1.000 0.706 CB 1.170 18 residues pruned to eliminate duplicates Z: 11 9.267 1.653 0.300 0.716 0.900 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 8 3.039 1.627 -0.006 0.588 0.714 0.429 CB 0.913 Z: 10 11.532 1.619 0.629 0.768 1.000 0.667 CB 1.150 10 residues pruned to eliminate duplicates Z: 6 2.653 1.469 0.545 0.297 0.800 0.400 CA 0.820 6 residues pruned to eliminate duplicates Z: 9 9.517 2.004 0.162 0.881 1.000 0.875 CB 1.046 9 residues pruned to eliminate duplicates Z: 10 10.280 1.614 0.624 0.821 1.000 0.778 CB 0.990 9 residues pruned to eliminate duplicates Z: 10 13.851 1.917 0.501 0.906 1.000 0.889 CA 1.141 10 residues pruned to eliminate duplicates Z: 19 28.783 2.089 0.628 0.939 1.000 0.889 CA 1.386 19 residues pruned to eliminate duplicates Z: 16 18.453 1.851 0.499 0.892 0.933 0.733 CA 1.322 16 residues pruned to eliminate duplicates Z: 24 17.456 1.798 0.483 0.718 0.913 0.609 CB 1.228 24 residues pruned to eliminate duplicates Z: 9 10.859 1.951 0.867 0.417 1.000 0.500 CB 1.149 Z: 13 8.759 1.765 0.820 0.396 0.667 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 8 2.870 1.619 0.221 0.218 0.714 0.429 CB 1.070 Z: 6 10.020 1.767 0.355 0.805 1.000 0.600 CA 1.434 6 residues pruned to eliminate duplicates Z: 36 18.564 2.014 0.667 0.589 0.771 0.629 CB 1.112 51 residues pruned to eliminate duplicates Z: 9 8.589 1.836 0.804 0.361 1.000 0.625 CB 1.065 Z: 14 9.031 1.717 1.043 0.357 0.846 0.692 CB 0.985 19 residues pruned to eliminate duplicates Z: 12 6.241 1.731 0.311 0.491 0.727 0.727 CA 1.151 12 residues pruned to eliminate duplicates Z: 6 5.442 1.422 0.665 0.849 1.000 0.600 CA 0.762 Z: 10 8.915 1.605 0.641 0.662 0.889 0.667 CA 1.092 10 residues pruned to eliminate duplicates Z: 16 10.715 1.671 0.290 0.802 0.933 0.667 CB 1.056 16 residues pruned to eliminate duplicates Z: 32 19.092 1.966 0.649 0.422 0.871 0.484 CB 1.316 32 residues pruned to eliminate duplicates Z: 7 5.575 1.579 0.542 0.815 1.000 0.667 CA 0.711 6 residues pruned to eliminate duplicates Z: 17 13.326 1.775 0.239 0.880 1.000 0.812 CB 1.098 17 residues pruned to eliminate duplicates Z: 11 9.175 1.838 0.836 0.461 0.800 0.600 CA 1.118 11 residues pruned to eliminate duplicates Z: 26 17.026 1.986 0.675 0.425 0.880 0.480 CB 1.257 26 residues pruned to eliminate duplicates Z: 8 9.039 1.812 0.393 0.805 0.857 0.571 CB 1.210 8 residues pruned to eliminate duplicates Z: 9 13.559 1.934 1.185 0.573 0.875 0.875 CA 1.207 10 residues pruned to eliminate duplicates Z: 16 14.119 1.776 0.322 0.867 0.933 0.733 CB 1.218 16 residues pruned to eliminate duplicates Z: 17 16.523 1.820 0.474 0.892 0.938 0.688 CB 1.181 17 residues pruned to eliminate duplicates Z: 15 12.108 1.542 0.318 0.842 1.000 0.857 CB 1.187 15 residues pruned to eliminate duplicates Z: 41 23.774 1.847 0.666 0.602 0.875 0.575 CB 1.267 41 residues pruned to eliminate duplicates Z: 45 20.742 1.750 0.715 0.544 0.795 0.432 CB 1.255 45 residues pruned to eliminate duplicates Z: 34 22.622 1.977 0.823 0.389 0.909 0.515 CA 1.351 59 residues pruned to eliminate duplicates Z: 9 5.182 1.575 0.169 0.420 1.000 0.500 CB 1.082 8 residues pruned to eliminate duplicates Z: 31 20.028 1.809 0.688 0.577 0.867 0.667 CA 1.283 31 residues pruned to eliminate duplicates Z: 9 11.113 1.839 0.115 0.877 1.000 1.000 CB 1.392 9 residues pruned to eliminate duplicates Z: 11 7.815 1.758 0.610 0.469 0.800 0.700 CA 1.126 11 residues pruned to eliminate duplicates Z: 42 17.346 1.860 0.416 0.437 0.902 0.610 CB 1.215 42 residues pruned to eliminate duplicates Z: 23 16.059 1.842 0.889 0.435 0.955 0.545 CB 1.103 23 residues pruned to eliminate duplicates Z: 14 4.547 1.355 0.443 0.338 0.769 0.462 N 1.000 14 residues pruned to eliminate duplicates Z: 23 18.987 1.855 0.529 0.524 1.000 0.591 CB 1.394 28 residues pruned to eliminate duplicates Z: 15 17.143 1.767 0.498 0.875 1.000 0.786 CB 1.259 15 residues pruned to eliminate duplicates Z: 6 5.083 1.677 0.357 0.762 0.800 0.600 CA 0.989 6 residues pruned to eliminate duplicates Z: 11 12.367 1.844 0.710 0.615 0.900 0.700 CA 1.236 12 residues pruned to eliminate duplicates Z: 9 8.259 1.557 0.424 0.850 1.000 0.500 CA 0.976 9 residues pruned to eliminate duplicates Z: 6 3.045 1.425 0.589 0.459 0.800 0.400 N 0.784 Z: 24 16.888 1.958 0.669 0.465 0.913 0.522 CB 1.223 24 residues pruned to eliminate duplicates Z: 11 12.318 1.697 0.601 0.668 1.000 0.600 CB 1.228 11 residues pruned to eliminate duplicates Z: 12 9.555 1.710 0.540 0.617 0.909 0.818 CB 1.077 10 residues pruned to eliminate duplicates Z: 7 8.583 1.705 0.500 0.836 1.000 0.500 CB 1.026 7 residues pruned to eliminate duplicates 6 1.392 1.223 -0.140 0.647 1.000 0.800 CB 0.516 ? Z: 28 15.171 1.676 0.453 0.665 0.926 0.593 CB 1.111 28 residues pruned to eliminate duplicates Z: 22 13.203 1.719 0.643 0.584 0.905 0.619 CB 1.039 30 residues pruned to eliminate duplicates Z: 8 6.147 1.550 0.529 0.628 0.857 0.857 O 1.014 Z: 15 12.322 1.826 0.258 0.840 0.857 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 16 14.990 1.849 0.212 0.905 1.000 0.933 CA 1.229 16 residues pruned to eliminate duplicates Z: 10 9.524 1.599 0.698 0.597 0.889 0.667 CB 1.199 10 residues pruned to eliminate duplicates Z: 43 22.463 1.972 0.628 0.476 0.833 0.476 CB 1.328 43 residues pruned to eliminate duplicates Z: 13 7.137 1.437 0.459 0.514 0.917 0.417 CA 1.058 13 residues pruned to eliminate duplicates Z: 18 21.069 1.951 0.961 0.684 0.824 0.588 CA 1.370 18 residues pruned to eliminate duplicates Z: 8 7.643 1.590 0.471 0.833 1.000 0.857 CB 0.927 Z: 11 6.773 1.656 0.377 0.445 1.000 0.600 CB 0.993 11 residues pruned to eliminate duplicates Z: 9 7.666 1.530 0.489 0.806 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 13 26.215 2.170 0.934 0.909 1.000 0.833 CB 1.279 Z: 15 7.726 1.833 0.398 0.316 0.857 0.429 CA 1.152 15 residues pruned to eliminate duplicates Z: 11 16.256 1.848 0.669 0.913 1.000 1.000 CA 1.179 11 residues pruned to eliminate duplicates Z: 6 3.966 1.680 0.077 0.580 1.000 0.600 CB 0.908 Z: 19 22.168 1.915 0.726 0.880 0.944 0.778 CB 1.213 19 residues pruned to eliminate duplicates Z: 6 9.473 1.616 1.088 0.691 0.800 0.800 CA 1.318 5 residues pruned to eliminate duplicates Z: 13 5.965 1.711 0.231 0.533 0.833 0.750 CB 0.950 13 residues pruned to eliminate duplicates Z: 17 12.084 1.590 0.592 0.891 1.000 0.750 CB 0.858 17 residues pruned to eliminate duplicates Z: 15 29.376 2.028 1.069 0.930 1.000 0.929 CB 1.309 13 residues pruned to eliminate duplicates Z: 24 12.439 1.854 0.518 0.458 0.870 0.565 CB 1.106 24 residues pruned to eliminate duplicates Z: 8 12.170 1.737 0.737 0.787 1.000 0.857 CA 1.185 8 residues pruned to eliminate duplicates Z: 7 6.834 1.551 0.759 0.483 0.833 0.500 N 1.248 Z: 21 18.429 2.019 0.629 0.484 0.900 0.600 CB 1.415 21 residues pruned to eliminate duplicates Z: 10 13.380 1.910 0.972 0.415 1.000 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 6 5.986 1.501 0.689 0.739 0.800 0.600 CB 1.065 6 residues pruned to eliminate duplicates Z: 25 23.365 1.888 0.665 0.726 0.917 0.875 CB 1.350 25 residues pruned to eliminate duplicates Z: 8 9.532 1.761 0.248 0.803 1.000 0.571 CB 1.258 8 residues pruned to eliminate duplicates Z: 10 8.013 1.561 0.246 0.610 1.000 0.667 CB 1.237 Z: 8 12.651 1.780 0.615 0.831 1.000 0.571 CB 1.250 8 residues pruned to eliminate duplicates Z: 30 14.326 1.776 0.411 0.438 0.862 0.517 CB 1.314 30 residues pruned to eliminate duplicates Z: 9 5.917 1.702 0.468 0.556 1.000 0.625 CB 0.793 15 residues pruned to eliminate duplicates Z: 11 3.047 1.485 0.174 0.387 0.700 0.600 CA 0.891 11 residues pruned to eliminate duplicates Z: 14 12.721 1.864 0.623 0.480 1.000 0.462 CA 1.191 14 residues pruned to eliminate duplicates Z: 17 14.687 1.515 0.747 0.909 1.000 0.688 CB 0.985 16 residues pruned to eliminate duplicates Z: 6 3.738 1.426 0.031 0.578 1.000 0.800 N 1.055 Z: 7 7.204 1.536 0.487 0.688 1.000 0.833 CA 1.084 7 residues pruned to eliminate duplicates Z: 7 2.869 1.519 0.616 0.475 0.667 0.500 CA 0.734 7 residues pruned to eliminate duplicates Z: 6 8.295 1.844 0.608 0.741 1.000 0.800 CB 1.008 6 residues pruned to eliminate duplicates Z: 11 17.777 1.845 0.874 0.898 1.000 0.700 CA 1.163 11 residues pruned to eliminate duplicates Z: 6 5.967 1.586 0.357 0.842 1.000 1.000 CA 0.924 5 residues pruned to eliminate duplicates Z: 21 16.050 1.912 0.652 0.572 0.900 0.750 CB 1.178 21 residues pruned to eliminate duplicates Z: 26 11.311 1.675 0.685 0.365 0.880 0.520 CB 1.052 26 residues pruned to eliminate duplicates Z: 8 11.193 1.732 0.817 0.889 1.000 0.429 CB 0.968 8 residues pruned to eliminate duplicates Z: 9 3.159 1.458 0.635 0.155 0.625 0.500 CB 1.145 6 residues pruned to eliminate duplicates Z: 17 14.353 1.812 0.202 0.880 0.938 0.688 CB 1.274 17 residues pruned to eliminate duplicates 6 0.867 1.161 0.603 0.300 0.800 0.400 CB 0.326 ? Z: 21 7.156 1.568 0.301 0.340 0.850 0.650 CB 1.098 21 residues pruned to eliminate duplicates Z: 11 7.941 1.415 0.975 0.921 1.000 0.700 CB 0.632 Z: 22 15.564 1.830 0.828 0.419 0.952 0.667 CA 1.160 22 residues pruned to eliminate duplicates Z: 8 4.116 1.411 0.356 0.495 0.857 0.429 CB 0.954 6 1.863 1.638 0.238 0.428 0.600 0.600 CB 0.738 ? Z: 8 5.530 1.578 0.451 0.549 1.000 0.714 CB 0.870 Z: 14 9.342 1.670 0.521 0.325 0.846 0.385 CB 1.461 14 residues pruned to eliminate duplicates Z: 31 21.604 1.982 0.561 0.601 0.967 0.633 CB 1.198 31 residues pruned to eliminate duplicates Z: 8 12.118 1.745 1.049 0.742 1.000 1.000 CB 1.031 Z: 30 24.996 1.966 0.734 0.639 0.931 0.655 CB 1.284 30 residues pruned to eliminate duplicates Z: 7 4.035 1.348 0.356 0.696 0.833 0.500 C 0.904 Z: 8 6.345 1.761 0.469 0.329 0.857 0.571 CA 1.305 8 residues pruned to eliminate duplicates Z: 12 8.752 1.677 0.589 0.457 0.909 0.727 CA 1.138 12 residues pruned to eliminate duplicates Z: 8 7.435 1.494 0.785 0.449 1.000 0.429 N 1.111 8 residues pruned to eliminate duplicates Z: 6 4.196 1.507 0.873 0.441 0.600 0.600 CB 1.177 Z: 14 8.935 1.756 0.115 0.683 0.923 0.692 CA 1.159 14 residues pruned to eliminate duplicates Z: 6 3.727 1.602 -0.134 0.841 1.000 1.000 CB 0.896 6 residues pruned to eliminate duplicates Z: 15 6.173 1.594 0.407 0.374 0.786 0.429 CB 1.071 15 residues pruned to eliminate duplicates Z: 14 19.847 1.972 1.280 0.925 1.000 0.615 CB 0.859 14 residues pruned to eliminate duplicates Z: 10 9.427 1.843 0.955 0.775 0.889 0.556 CB 0.770 10 residues pruned to eliminate duplicates Z: 6 2.727 1.555 -0.161 0.297 1.000 0.400 N 1.173 Z: 8 3.475 1.555 -0.147 0.394 1.000 0.571 CB 1.108 Z: 26 21.221 2.009 0.656 0.417 1.000 0.520 CB 1.391 26 residues pruned to eliminate duplicates Z: 9 10.746 1.967 1.002 0.500 0.875 0.875 CB 1.103 9 residues pruned to eliminate duplicates Z: 6 3.109 1.598 0.491 0.521 0.800 0.800 CB 0.715 Z: 12 12.248 1.683 0.699 0.842 0.909 0.727 CA 1.059 20 residues pruned to eliminate duplicates Z: 14 5.441 1.625 0.468 0.369 0.769 0.308 CB 0.946 14 residues pruned to eliminate duplicates Z: 34 17.836 1.794 0.918 0.540 0.879 0.364 CB 0.988 34 residues pruned to eliminate duplicates Z: 20 10.945 2.039 0.019 0.665 0.842 0.737 CA 1.232 20 residues pruned to eliminate duplicates Z: 17 18.661 1.815 0.480 0.884 1.000 0.750 CB 1.254 17 residues pruned to eliminate duplicates Z: 21 18.445 1.940 0.832 0.456 0.950 0.650 CA 1.277 21 residues pruned to eliminate duplicates Z: 7 5.059 1.353 0.852 0.675 0.833 0.667 CB 0.842 Z: 6 4.648 1.493 0.511 0.609 1.000 0.800 CA 0.831 Z: 8 6.192 1.584 0.066 0.774 1.000 1.000 CB 1.088 8 residues pruned to eliminate duplicates Z: 7 5.155 1.489 0.800 0.400 0.833 0.500 CB 1.046 Z: 6 4.889 1.699 0.259 0.494 0.800 0.800 CA 1.285 Z: 10 5.567 1.662 0.482 0.439 0.778 0.444 CA 1.032 Z: 9 9.685 1.624 0.667 0.649 0.875 0.625 CA 1.258 14 residues pruned to eliminate duplicates Z: 17 11.465 1.590 0.371 0.883 1.000 0.875 CB 0.951 17 residues pruned to eliminate duplicates Z: 16 14.902 1.717 0.565 0.827 0.867 0.533 CB 1.245 16 residues pruned to eliminate duplicates Z: 17 22.898 1.930 0.671 0.953 1.000 1.000 CA 1.222 17 residues pruned to eliminate duplicates Z: 13 8.946 1.509 0.986 0.902 1.000 0.667 CB 0.615 11 residues pruned to eliminate duplicates Z: 14 10.115 1.953 0.098 0.913 1.000 0.923 CB 0.926 14 residues pruned to eliminate duplicates Z: 6 4.610 1.427 0.400 0.553 0.800 0.600 O 1.225 5 residues pruned to eliminate duplicates Z: 37 14.654 1.885 0.463 0.426 0.833 0.472 CB 1.148 37 residues pruned to eliminate duplicates Z: 7 3.655 1.195 0.549 0.519 0.833 0.333 CA 0.950 Z: 19 28.713 1.969 0.853 0.890 1.000 0.556 CA 1.335 19 residues pruned to eliminate duplicates Z: 8 15.240 2.061 0.757 0.630 1.000 0.714 CA 1.408 Z: 9 11.838 1.852 0.942 0.464 0.875 0.750 CB 1.379 9 residues pruned to eliminate duplicates Z: 7 9.655 1.579 0.927 0.784 1.000 0.500 CA 1.009 7 residues pruned to eliminate duplicates Z: 9 7.599 1.700 0.558 0.743 1.000 0.875 CB 0.817 Z: 22 11.043 1.594 0.570 0.387 0.857 0.667 CA 1.266 15 residues pruned to eliminate duplicates Z: 22 15.987 1.949 0.378 0.728 0.905 0.810 CA 1.169 22 residues pruned to eliminate duplicates Z: 7 6.614 1.454 0.572 0.806 1.000 0.833 CB 0.905 7 residues pruned to eliminate duplicates 7 1.926 1.358 -0.102 0.382 0.833 0.500 CB 0.877 ? Z: 18 20.264 1.837 0.956 0.828 1.000 0.706 CB 1.030 18 residues pruned to eliminate duplicates Z: 6 5.312 1.553 0.840 0.777 0.800 0.600 CB 0.814 6 residues pruned to eliminate duplicates Z: 63 32.351 1.818 0.720 0.594 0.952 0.677 CB 1.263 63 residues pruned to eliminate duplicates Z: 13 8.651 1.726 0.253 0.621 1.000 0.667 CB 1.031 13 residues pruned to eliminate duplicates Z: 6 3.493 1.624 0.475 0.291 1.000 0.600 CB 0.824 Z: 6 2.492 1.620 -0.188 0.174 1.000 0.200 C 1.257 Z: 23 23.671 2.074 0.935 0.450 0.955 0.636 CA 1.387 23 residues pruned to eliminate duplicates 6 1.891 1.623 0.033 0.446 0.600 0.400 CB 0.890 ? Z: 11 11.712 1.691 0.626 0.847 1.000 0.500 CA 1.000 11 residues pruned to eliminate duplicates Z: 8 4.661 1.612 1.081 0.223 0.714 0.429 CA 1.017 Z: 14 9.864 1.530 0.717 0.911 1.000 0.769 CB 0.738 13 residues pruned to eliminate duplicates Z: 7 2.657 1.407 0.546 0.652 0.833 0.667 CB 0.519 7 residues pruned to eliminate duplicates Z: 6 12.503 1.762 1.061 0.749 1.000 0.800 N 1.233 6 residues pruned to eliminate duplicates Z: 17 19.373 1.794 0.848 0.879 0.938 0.438 CB 1.130 17 residues pruned to eliminate duplicates Z: 8 5.842 1.460 0.653 0.735 1.000 0.571 CB 0.740 8 residues pruned to eliminate duplicates Z: 12 9.050 1.909 0.603 0.611 0.909 0.636 CB 0.883 12 residues pruned to eliminate duplicates Z: 17 15.768 1.804 0.772 0.514 0.938 0.812 CB 1.297 17 residues pruned to eliminate duplicates 8 1.951 1.647 0.179 0.171 0.571 0.429 CA 0.990 ? Z: 8 4.199 1.561 0.313 0.323 0.857 0.571 CB 1.098 17 residues pruned to eliminate duplicates Z: 9 4.660 1.629 0.591 0.514 0.875 0.625 CB 0.717 9 residues pruned to eliminate duplicates Z: 7 5.841 1.679 0.692 0.299 0.833 0.333 CB 1.260 Z: 6 3.198 1.262 0.281 0.528 1.000 0.600 CA 0.861 6 1.779 1.226 0.357 0.439 0.800 0.600 CB 0.637 ? Z: 16 6.061 1.537 0.929 0.254 0.667 0.333 CA 1.050 16 residues pruned to eliminate duplicates Z: 36 26.516 1.846 0.780 0.621 0.943 0.743 CB 1.291 36 residues pruned to eliminate duplicates Z: 9 10.832 1.665 0.407 0.909 1.000 0.875 CB 1.160 9 residues pruned to eliminate duplicates Z: 10 2.981 1.349 0.462 0.282 0.889 0.556 CB 0.724 Z: 18 11.753 1.764 0.498 0.615 1.000 0.588 CB 0.968 18 residues pruned to eliminate duplicates Z: 6 2.033 1.437 0.561 0.306 0.600 0.600 O 0.838 Z: 15 13.220 1.639 0.239 0.885 1.000 0.929 CA 1.256 15 residues pruned to eliminate duplicates Z: 11 3.725 1.544 0.173 0.363 0.800 0.500 CB 0.941 Z: 15 10.927 1.840 0.532 0.560 0.857 0.786 CA 1.140 15 residues pruned to eliminate duplicates Z: 7 2.011 1.136 0.386 0.403 0.667 0.667 C 0.866 Z: 16 14.070 1.618 0.500 0.935 1.000 0.733 CB 1.043 16 residues pruned to eliminate duplicates Z: 14 11.411 1.813 0.316 0.667 1.000 0.846 CA 1.136 14 residues pruned to eliminate duplicates Z: 8 4.769 1.575 0.328 0.538 0.714 0.571 CB 1.162 8 residues pruned to eliminate duplicates Z: 14 9.586 1.582 0.760 0.770 0.769 0.538 CB 0.978 14 residues pruned to eliminate duplicates Z: 8 5.930 1.662 0.284 0.497 0.857 0.571 CB 1.229 Z: 10 5.089 1.722 0.196 0.446 0.889 0.444 CA 0.979 10 residues pruned to eliminate duplicates Z: 6 6.309 1.459 0.357 0.600 1.000 0.800 CB 1.295 6 residues pruned to eliminate duplicates Z: 19 13.934 1.826 0.428 0.826 0.889 0.833 CA 1.068 19 residues pruned to eliminate duplicates Z: 16 7.121 1.403 0.369 0.544 0.933 0.400 CB 0.982 16 residues pruned to eliminate duplicates Z: 12 13.421 1.532 0.915 0.704 1.000 0.818 CB 1.146 10 residues pruned to eliminate duplicates Z: 8 5.719 1.607 0.560 0.429 0.714 0.571 CA 1.300 12 residues pruned to eliminate duplicates Z: 19 9.484 1.854 0.417 0.460 0.778 0.611 CB 1.140 19 residues pruned to eliminate duplicates Z: 7 4.481 1.571 0.454 0.515 0.833 0.500 CA 0.947 Z: 17 11.892 1.596 0.789 0.852 0.875 0.750 CB 0.880 17 residues pruned to eliminate duplicates Z: 7 9.412 1.805 0.657 0.530 1.000 0.833 CB 1.247 7 residues pruned to eliminate duplicates Z: 12 10.519 1.708 0.575 0.648 0.909 0.636 CB 1.130 12 residues pruned to eliminate duplicates Z: 21 14.652 1.849 0.383 0.619 0.950 0.750 CB 1.206 Z: 8 6.538 1.817 0.501 0.515 0.857 0.429 CB 1.042 8 residues pruned to eliminate duplicates Z: 13 6.103 1.889 0.198 0.283 0.833 0.667 CB 1.193 13 residues pruned to eliminate duplicates Z: 12 7.652 1.506 0.324 0.660 1.000 0.818 CB 0.998 12 residues pruned to eliminate duplicates Z: 15 13.910 1.765 0.345 0.763 0.929 0.786 CB 1.335 15 residues pruned to eliminate duplicates Z: 7 10.736 1.827 0.391 0.848 1.000 0.833 CB 1.279 7 residues pruned to eliminate duplicates Z: 30 17.778 1.679 0.603 0.606 0.897 0.483 CB 1.237 30 residues pruned to eliminate duplicates Z: 6 6.791 1.699 0.716 0.557 0.800 0.800 CB 1.232 6 residues pruned to eliminate duplicates Z: 6 3.775 1.460 0.327 0.367 0.800 0.400 CB 1.256 Z: 12 15.657 1.969 1.051 0.863 0.818 0.455 CB 1.048 12 residues pruned to eliminate duplicates Z: 7 2.756 1.653 0.351 0.113 0.667 0.500 N 1.231 Z: 9 3.788 1.567 0.301 0.529 0.625 0.500 CB 1.021 9 residues pruned to eliminate duplicates 564 residues left after pruning, divided into chains as follows: A: 56 B: 7 C: 178 D: 13 E: 10 F: 22 G: 12 H: 15 I: 8 J: 28 K: 56 L: 9 M: 43 N: 10 O: 14 P: 12 Q: 53 R: 18 CC for partial structure against native data = 39.36 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.416, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.487, Connect. = 0.726 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.590, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.603, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.610, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.612, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.615, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.616, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3974 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 745 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 20.870 2.266 0.551 0.924 0.917 0.750 CB 1.314 B: 13 23.132 2.126 0.810 0.875 1.000 0.750 CA 1.262 C: 24 14.463 1.891 0.444 0.429 0.870 0.565 CB 1.366 D: 8 15.776 2.260 0.501 0.595 1.000 0.857 CA 1.605 E: 21 34.004 2.180 0.772 0.902 0.950 0.700 CA 1.477 F: 11 24.289 2.363 0.702 0.921 1.000 0.700 CA 1.344 G: 12 14.508 2.171 0.409 0.532 1.000 0.818 CA 1.386 12 residues pruned to eliminate duplicates H: 47 33.172 2.031 0.709 0.632 0.891 0.413 CB 1.397 8 residues pruned to eliminate duplicates I: 13 24.403 2.180 0.647 0.914 1.000 0.917 CB 1.388 13 residues pruned to eliminate duplicates J: 20 41.144 2.196 0.936 0.909 1.000 0.526 CA 1.576 21 residues pruned to eliminate duplicates K: 14 30.593 2.302 0.873 0.926 0.923 0.692 CB 1.494 13 residues pruned to eliminate duplicates L: 13 32.703 2.227 1.186 0.880 1.000 0.750 CB 1.405 M: 15 14.425 1.965 0.497 0.613 0.857 0.643 CB 1.374 15 residues pruned to eliminate duplicates N: 24 13.827 1.937 0.246 0.494 0.870 0.783 CB 1.382 24 residues pruned to eliminate duplicates O: 18 21.299 2.015 0.682 0.837 0.941 0.824 CB 1.212 18 residues pruned to eliminate duplicates P: 22 34.963 2.080 0.845 0.873 0.952 0.619 CA 1.520 22 residues pruned to eliminate duplicates Q: 24 38.299 2.268 1.042 0.775 0.913 0.565 CB 1.482 22 residues pruned to eliminate duplicates R: 42 37.344 2.136 0.661 0.690 0.927 0.659 CB 1.490 70 residues pruned to eliminate duplicates S: 16 22.428 2.059 0.681 0.932 1.000 1.000 CA 1.168 14 residues pruned to eliminate duplicates T: 15 25.365 2.123 0.697 0.920 1.000 0.786 CB 1.325 13 residues pruned to eliminate duplicates U: 14 31.283 2.118 1.133 0.877 1.000 0.692 CB 1.394 16 residues pruned to eliminate duplicates V: 9 11.747 2.263 0.376 0.500 1.000 0.875 CA 1.335 W: 30 27.461 2.100 0.958 0.582 0.862 0.483 CA 1.329 11 residues pruned to eliminate duplicates X: 16 14.372 2.069 0.302 0.893 1.000 1.000 CB 0.989 Y: 15 18.196 2.031 0.911 0.922 0.929 0.643 CB 0.949 16 residues pruned to eliminate duplicates Z: 7 7.294 1.748 0.542 0.726 1.000 0.667 CB 0.902 Z: 15 32.878 2.215 1.069 0.917 0.929 0.643 CB 1.457 16 residues pruned to eliminate duplicates Z: 21 37.689 2.188 0.870 0.894 1.000 0.700 CA 1.477 21 residues pruned to eliminate duplicates Z: 11 11.400 2.035 0.314 0.411 1.000 0.600 CA 1.480 11 residues pruned to eliminate duplicates Z: 13 14.099 1.850 1.015 0.442 0.833 0.500 CB 1.391 Z: 12 29.135 2.290 0.787 0.939 1.000 0.727 CA 1.492 13 residues pruned to eliminate duplicates Z: 15 17.523 2.062 0.587 0.494 1.000 0.786 CB 1.440 16 residues pruned to eliminate duplicates Z: 12 31.129 2.301 0.780 0.941 1.000 0.818 CA 1.590 12 residues pruned to eliminate duplicates Z: 13 19.181 2.176 0.535 0.919 1.000 0.917 CA 1.168 13 residues pruned to eliminate duplicates Z: 24 23.073 2.101 0.671 0.593 0.826 0.652 CB 1.517 9 residues pruned to eliminate duplicates Z: 12 24.159 2.265 0.489 0.922 1.000 0.818 CA 1.519 12 residues pruned to eliminate duplicates Z: 12 31.344 2.306 1.091 0.920 0.909 0.455 CA 1.519 13 residues pruned to eliminate duplicates Z: 12 29.862 2.254 1.059 0.935 1.000 0.818 CA 1.352 12 residues pruned to eliminate duplicates Z: 13 34.313 2.150 1.221 0.933 1.000 0.417 CA 1.448 12 residues pruned to eliminate duplicates Z: 42 20.409 1.826 0.605 0.465 0.878 0.439 CB 1.284 33 residues pruned to eliminate duplicates Z: 17 23.972 2.029 1.063 0.881 0.938 0.688 CB 1.106 17 residues pruned to eliminate duplicates Z: 20 32.989 2.223 0.685 0.928 0.947 0.684 CA 1.493 20 residues pruned to eliminate duplicates Z: 20 28.220 2.002 0.936 0.900 0.842 0.579 CB 1.417 Z: 19 34.257 2.301 0.664 0.914 1.000 0.833 CA 1.491 19 residues pruned to eliminate duplicates Z: 17 26.763 2.034 0.716 0.890 1.000 0.875 CA 1.378 20 residues pruned to eliminate duplicates Z: 16 15.222 2.039 0.526 0.779 1.000 0.667 CB 0.988 12 residues pruned to eliminate duplicates Z: 19 36.611 2.229 0.662 0.917 1.000 0.667 CA 1.644 19 residues pruned to eliminate duplicates Z: 12 28.431 2.291 0.732 0.895 1.000 0.818 CA 1.548 12 residues pruned to eliminate duplicates Z: 14 10.779 1.888 0.657 0.518 0.769 0.615 CB 1.221 14 residues pruned to eliminate duplicates Z: 73 22.894 1.832 0.405 0.451 0.861 0.583 CB 1.280 19 residues pruned to eliminate duplicates Z: 35 25.442 1.878 0.757 0.631 0.912 0.618 CB 1.282 Z: 11 24.662 2.324 0.778 0.907 1.000 0.800 CA 1.341 11 residues pruned to eliminate duplicates Z: 7 9.236 1.818 0.416 0.716 1.000 0.833 CA 1.204 7 residues pruned to eliminate duplicates Z: 14 35.315 2.320 1.053 0.939 1.000 0.692 CB 1.430 15 residues pruned to eliminate duplicates Z: 20 28.197 2.210 0.648 0.904 0.947 0.842 CA 1.336 20 residues pruned to eliminate duplicates Z: 13 25.326 2.228 0.972 0.898 0.917 0.417 CB 1.298 13 residues pruned to eliminate duplicates Z: 44 17.623 1.878 0.497 0.398 0.860 0.628 CB 1.238 44 residues pruned to eliminate duplicates Z: 15 12.171 1.921 0.767 0.445 0.857 0.571 CA 1.183 Z: 13 32.774 2.147 1.038 0.941 1.000 0.417 CA 1.500 12 residues pruned to eliminate duplicates Z: 17 28.442 2.025 0.751 0.923 1.000 0.562 CB 1.409 16 residues pruned to eliminate duplicates Z: 21 34.794 2.114 0.845 0.891 0.950 0.650 CA 1.509 21 residues pruned to eliminate duplicates Z: 15 34.183 2.189 0.978 0.931 1.000 0.714 CB 1.474 15 residues pruned to eliminate duplicates Z: 16 20.618 1.990 0.775 0.932 1.000 0.733 CB 1.052 18 residues pruned to eliminate duplicates Z: 21 21.258 2.184 0.658 0.382 0.900 0.450 CA 1.654 21 residues pruned to eliminate duplicates Z: 20 26.569 2.171 0.567 0.841 1.000 0.789 CA 1.336 20 residues pruned to eliminate duplicates Z: 19 28.901 2.254 0.416 0.929 1.000 0.889 CA 1.494 19 residues pruned to eliminate duplicates Z: 53 39.263 2.005 0.708 0.742 0.942 0.500 CB 1.359 37 residues pruned to eliminate duplicates Z: 33 29.919 2.074 0.903 0.601 0.906 0.594 CB 1.343 28 residues pruned to eliminate duplicates Z: 13 24.890 2.245 0.611 0.868 1.000 0.833 CB 1.452 13 residues pruned to eliminate duplicates Z: 12 21.458 1.867 0.894 0.893 1.000 0.636 CA 1.313 Z: 12 30.674 2.294 0.831 0.931 1.000 0.909 CA 1.538 12 residues pruned to eliminate duplicates Z: 11 15.581 1.976 0.791 0.882 0.900 0.700 CA 1.119 11 residues pruned to eliminate duplicates Z: 21 30.862 2.142 0.600 0.903 1.000 0.700 CA 1.436 21 residues pruned to eliminate duplicates Z: 13 29.914 2.242 0.865 0.907 1.000 0.833 CB 1.467 13 residues pruned to eliminate duplicates Z: 40 19.981 1.956 0.614 0.445 0.872 0.513 CB 1.230 40 residues pruned to eliminate duplicates Z: 17 25.860 2.080 0.636 0.899 1.000 0.875 CA 1.358 17 residues pruned to eliminate duplicates Z: 7 9.288 2.071 0.246 0.815 0.833 0.667 CB 1.341 Z: 19 31.538 2.042 0.851 0.910 0.944 0.667 CA 1.477 19 residues pruned to eliminate duplicates Z: 12 19.638 2.148 0.620 0.882 0.909 0.818 CA 1.355 12 residues pruned to eliminate duplicates Z: 17 8.740 1.890 0.228 0.333 0.875 0.625 CA 1.290 17 residues pruned to eliminate duplicates Z: 12 28.341 2.243 0.998 0.912 1.000 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 10 7.423 1.810 0.911 0.482 0.778 0.444 CB 0.937 10 residues pruned to eliminate duplicates Z: 61 46.367 2.110 0.754 0.695 0.950 0.633 CB 1.425 55 residues pruned to eliminate duplicates Z: 18 19.355 2.028 0.758 0.611 0.882 0.706 CB 1.343 18 residues pruned to eliminate duplicates Z: 11 24.178 2.256 0.720 0.897 0.900 0.500 CA 1.567 11 residues pruned to eliminate duplicates Z: 8 14.201 1.978 0.426 0.774 1.000 0.429 CA 1.494 7 residues pruned to eliminate duplicates Z: 20 16.975 2.062 0.446 0.516 0.842 0.789 CB 1.527 20 residues pruned to eliminate duplicates Z: 19 36.836 2.031 1.019 0.911 1.000 0.500 CA 1.500 19 residues pruned to eliminate duplicates Z: 17 15.210 2.145 0.520 0.489 0.812 0.688 CB 1.452 17 residues pruned to eliminate duplicates Z: 14 37.086 2.093 1.323 0.930 1.000 0.692 CB 1.480 13 residues pruned to eliminate duplicates Z: 19 29.633 2.105 0.881 0.890 0.944 0.611 CA 1.343 19 residues pruned to eliminate duplicates Z: 9 16.019 2.312 0.314 0.922 0.875 0.875 CB 1.498 9 residues pruned to eliminate duplicates Z: 12 39.064 2.298 1.290 0.933 1.000 0.818 CA 1.562 13 residues pruned to eliminate duplicates Z: 13 27.622 2.246 0.895 0.935 0.917 0.917 CA 1.425 13 residues pruned to eliminate duplicates Z: 30 26.081 2.090 0.565 0.502 0.931 0.759 CB 1.588 30 residues pruned to eliminate duplicates Z: 12 16.607 1.927 0.507 0.922 1.000 0.909 CA 1.212 12 residues pruned to eliminate duplicates Z: 18 14.962 1.800 0.350 0.837 0.941 0.765 CB 1.187 18 residues pruned to eliminate duplicates Z: 19 25.654 2.038 0.681 0.892 0.944 0.778 CA 1.343 19 residues pruned to eliminate duplicates Z: 13 11.282 1.882 0.656 0.517 0.833 0.500 CB 1.233 13 residues pruned to eliminate duplicates Z: 9 6.642 1.486 0.614 0.742 0.875 0.625 CA 0.901 9 residues pruned to eliminate duplicates Z: 66 28.358 2.045 0.662 0.420 0.831 0.462 CB 1.353 41 residues pruned to eliminate duplicates Z: 13 22.188 2.109 0.889 0.909 0.917 0.833 CA 1.245 13 residues pruned to eliminate duplicates Z: 17 13.885 1.953 0.434 0.450 0.938 0.625 CB 1.392 17 residues pruned to eliminate duplicates Z: 19 36.385 2.254 0.758 0.911 0.944 0.500 CA 1.624 19 residues pruned to eliminate duplicates Z: 13 36.234 2.337 1.018 0.931 1.000 0.667 CB 1.550 14 residues pruned to eliminate duplicates Z: 13 22.724 2.166 0.698 0.886 1.000 0.667 CA 1.287 13 residues pruned to eliminate duplicates Z: 11 19.191 1.979 0.800 0.931 1.000 1.000 CA 1.191 11 residues pruned to eliminate duplicates Z: 10 16.442 2.081 0.684 0.878 0.889 0.444 CA 1.277 10 residues pruned to eliminate duplicates Z: 21 17.528 1.997 0.466 0.625 0.950 0.400 CB 1.253 22 residues pruned to eliminate duplicates Z: 12 22.443 1.899 0.961 0.910 1.000 0.545 CA 1.289 12 residues pruned to eliminate duplicates Z: 19 32.453 2.293 0.546 0.932 0.944 0.722 CA 1.596 19 residues pruned to eliminate duplicates Z: 17 26.678 2.168 0.575 0.900 0.938 0.875 CA 1.489 17 residues pruned to eliminate duplicates Z: 9 10.379 1.707 0.513 0.669 0.875 0.750 CA 1.389 8 residues pruned to eliminate duplicates Z: 13 33.484 2.143 1.178 0.933 1.000 0.583 CA 1.445 13 residues pruned to eliminate duplicates Z: 72 45.446 2.072 0.932 0.581 0.958 0.718 CB 1.302 153 residues pruned to eliminate duplicates Z: 19 16.866 2.042 0.549 0.545 0.889 0.833 CB 1.353 Z: 39 17.719 1.970 0.454 0.434 0.842 0.579 CB 1.276 39 residues pruned to eliminate duplicates Z: 19 22.580 2.055 0.346 0.944 1.000 0.944 CA 1.333 19 residues pruned to eliminate duplicates Z: 7 5.931 1.761 0.449 0.796 0.667 0.500 CA 1.098 7 residues pruned to eliminate duplicates Z: 18 19.350 1.790 0.650 0.894 1.000 0.765 CB 1.140 18 residues pruned to eliminate duplicates Z: 13 15.174 2.077 0.447 0.867 0.833 0.750 CB 1.279 13 residues pruned to eliminate duplicates Z: 61 31.236 1.897 0.649 0.574 0.933 0.583 CB 1.286 59 residues pruned to eliminate duplicates Z: 20 24.561 2.002 0.519 0.889 1.000 0.789 CA 1.333 20 residues pruned to eliminate duplicates Z: 12 18.609 1.924 0.721 0.900 1.000 1.000 CA 1.210 14 residues pruned to eliminate duplicates Z: 8 5.883 1.544 0.393 0.703 1.000 0.714 CA 0.859 Z: 33 23.898 1.951 0.647 0.459 0.938 0.500 CB 1.462 27 residues pruned to eliminate duplicates Z: 12 17.578 2.217 0.322 0.847 1.000 0.727 CA 1.343 12 residues pruned to eliminate duplicates Z: 20 36.509 2.192 0.812 0.897 0.947 0.421 CA 1.593 20 residues pruned to eliminate duplicates Z: 10 6.875 1.771 0.184 0.851 0.667 0.444 CB 1.213 10 residues pruned to eliminate duplicates Z: 22 20.849 2.100 0.687 0.519 0.952 0.571 CB 1.322 Z: 17 35.631 2.264 0.978 0.932 0.938 0.562 CB 1.482 17 residues pruned to eliminate duplicates Z: 12 19.009 1.968 0.895 0.899 0.909 0.818 CA 1.209 12 residues pruned to eliminate duplicates Z: 20 25.842 1.970 0.899 0.872 0.895 0.684 CB 1.291 20 residues pruned to eliminate duplicates Z: 8 7.423 1.822 0.415 0.804 0.857 0.571 CB 0.974 Z: 46 25.806 1.845 0.607 0.564 0.867 0.578 CB 1.407 14 residues pruned to eliminate duplicates Z: 29 25.287 2.080 0.835 0.478 0.929 0.643 CA 1.378 29 residues pruned to eliminate duplicates Z: 23 15.033 1.972 0.622 0.425 0.864 0.455 CA 1.254 23 residues pruned to eliminate duplicates Z: 31 16.529 2.002 0.469 0.402 0.800 0.533 CB 1.422 31 residues pruned to eliminate duplicates Z: 7 12.054 1.976 0.819 0.675 0.833 0.667 CB 1.399 8 residues pruned to eliminate duplicates Z: 47 18.309 1.924 0.461 0.421 0.848 0.587 CB 1.230 47 residues pruned to eliminate duplicates Z: 13 10.540 1.775 0.444 0.540 0.833 0.750 CA 1.370 Z: 21 29.003 1.934 0.945 0.877 0.950 0.700 CA 1.319 21 residues pruned to eliminate duplicates Z: 12 27.664 2.217 1.009 0.900 0.909 0.455 CB 1.472 12 residues pruned to eliminate duplicates Z: 24 16.106 2.004 0.560 0.468 0.870 0.478 CB 1.276 24 residues pruned to eliminate duplicates Z: 58 35.426 2.111 0.718 0.590 0.877 0.684 CB 1.353 58 residues pruned to eliminate duplicates Z: 13 18.784 2.220 0.373 0.899 1.000 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 23 18.815 1.840 0.633 0.621 0.955 0.591 CB 1.248 24 residues pruned to eliminate duplicates Z: 12 28.872 2.306 0.785 0.940 1.000 1.000 CA 1.468 12 residues pruned to eliminate duplicates Z: 12 14.860 1.835 0.711 0.587 1.000 0.455 CB 1.313 8 residues pruned to eliminate duplicates Z: 35 18.086 2.000 0.415 0.404 0.912 0.471 CB 1.331 8 residues pruned to eliminate duplicates Z: 9 15.408 2.088 0.580 0.923 1.000 1.000 CA 1.161 9 residues pruned to eliminate duplicates Z: 9 12.062 1.680 0.509 0.892 1.000 0.875 CB 1.208 9 residues pruned to eliminate duplicates Z: 44 19.297 2.061 0.364 0.443 0.860 0.512 CB 1.290 44 residues pruned to eliminate duplicates Z: 7 4.582 1.708 0.217 0.509 0.667 0.667 N 1.338 7 residues pruned to eliminate duplicates Z: 19 27.468 1.935 0.768 0.892 1.000 0.667 CB 1.359 19 residues pruned to eliminate duplicates Z: 57 28.211 2.050 0.527 0.450 0.911 0.536 CB 1.392 60 residues pruned to eliminate duplicates Z: 103 35.022 1.938 0.562 0.488 0.912 0.529 CB 1.272 106 residues pruned to eliminate duplicates Z: 17 22.357 1.936 0.816 0.940 1.000 0.625 CB 1.104 17 residues pruned to eliminate duplicates Z: 14 30.244 2.291 0.899 0.947 1.000 0.846 CA 1.332 14 residues pruned to eliminate duplicates Z: 29 18.726 2.029 0.471 0.447 0.821 0.571 CB 1.525 29 residues pruned to eliminate duplicates Z: 57 38.096 2.075 0.692 0.635 0.911 0.696 CB 1.403 57 residues pruned to eliminate duplicates Z: 23 14.789 2.103 0.402 0.440 0.909 0.500 CB 1.252 23 residues pruned to eliminate duplicates Z: 18 19.481 2.068 0.682 0.820 0.882 0.647 CB 1.166 18 residues pruned to eliminate duplicates Z: 6 3.929 1.771 0.335 0.550 0.800 0.800 CB 0.884 Z: 12 15.266 1.845 0.503 0.887 1.000 0.909 CA 1.196 12 residues pruned to eliminate duplicates Z: 6 3.662 2.016 0.013 0.746 1.000 0.800 CB 0.643 Z: 18 23.923 2.011 0.999 0.828 0.941 0.824 CB 1.155 18 residues pruned to eliminate duplicates Z: 16 14.390 1.739 0.292 0.915 1.000 0.933 CB 1.169 Z: 6 7.559 1.938 0.544 0.699 0.800 0.600 CA 1.178 6 residues pruned to eliminate duplicates Z: 13 25.272 2.132 0.920 0.896 1.000 0.833 CB 1.277 13 residues pruned to eliminate duplicates Z: 13 12.728 1.804 0.975 0.609 0.750 0.667 CA 1.240 13 residues pruned to eliminate duplicates Z: 6 8.313 1.811 0.508 0.856 1.000 0.800 CB 1.004 6 residues pruned to eliminate duplicates Z: 36 23.874 2.024 0.511 0.562 0.914 0.629 CB 1.359 22 residues pruned to eliminate duplicates Z: 27 15.823 1.858 0.613 0.374 0.885 0.462 CA 1.339 27 residues pruned to eliminate duplicates Z: 9 9.592 1.827 0.460 0.800 0.875 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 6 2.530 1.665 0.381 0.281 0.600 0.200 C 1.051 Z: 39 29.492 2.009 0.540 0.720 0.895 0.711 CA 1.417 39 residues pruned to eliminate duplicates Z: 22 17.715 2.019 0.547 0.470 0.857 0.524 CB 1.487 22 residues pruned to eliminate duplicates Z: 14 6.846 1.713 0.470 0.253 0.692 0.385 O 1.447 14 residues pruned to eliminate duplicates Z: 17 14.998 1.807 0.505 0.878 0.938 0.625 CB 1.068 17 residues pruned to eliminate duplicates Z: 13 6.221 1.589 0.435 0.422 0.833 0.500 CA 1.025 13 residues pruned to eliminate duplicates Z: 14 25.020 2.143 1.321 0.939 1.000 0.692 CB 0.969 14 residues pruned to eliminate duplicates Z: 13 21.869 1.844 0.979 0.888 1.000 0.750 CA 1.246 12 residues pruned to eliminate duplicates Z: 16 10.468 1.679 0.001 0.891 1.000 0.733 CA 1.156 16 residues pruned to eliminate duplicates Z: 11 12.915 1.785 0.619 0.876 0.900 0.600 CA 1.141 11 residues pruned to eliminate duplicates Z: 42 38.509 2.163 0.943 0.666 0.902 0.512 CB 1.359 37 residues pruned to eliminate duplicates Z: 15 14.634 1.750 0.435 0.915 1.000 0.786 CB 1.101 16 residues pruned to eliminate duplicates Z: 15 12.805 1.604 0.624 0.883 1.000 0.929 CB 0.950 Z: 23 15.503 2.020 0.359 0.536 0.864 0.636 CB 1.345 21 residues pruned to eliminate duplicates Z: 57 20.691 1.909 0.467 0.374 0.857 0.482 CB 1.318 57 residues pruned to eliminate duplicates Z: 17 10.357 2.005 0.389 0.448 0.812 0.438 CB 1.207 17 residues pruned to eliminate duplicates Z: 8 7.314 1.986 0.151 0.563 0.857 0.714 CB 1.327 8 residues pruned to eliminate duplicates Z: 19 21.066 2.033 0.394 0.902 1.000 0.778 CA 1.250 19 residues pruned to eliminate duplicates Z: 12 10.380 1.737 0.381 0.555 0.909 0.455 CA 1.361 Z: 15 23.728 2.073 1.370 0.936 0.929 0.429 CB 0.968 16 residues pruned to eliminate duplicates Z: 11 8.390 1.781 0.297 0.580 0.900 0.700 CA 1.182 11 residues pruned to eliminate duplicates Z: 9 4.016 1.782 0.104 0.430 0.875 0.875 CB 0.887 Z: 8 11.640 1.978 0.222 0.793 1.000 0.857 CA 1.408 8 residues pruned to eliminate duplicates Z: 14 27.102 2.232 0.945 0.915 0.846 0.615 CB 1.446 14 residues pruned to eliminate duplicates Z: 22 11.868 1.998 0.330 0.384 0.857 0.333 CB 1.286 22 residues pruned to eliminate duplicates Z: 27 26.036 1.985 0.674 0.670 0.923 0.615 CA 1.423 27 residues pruned to eliminate duplicates Z: 6 6.445 1.637 0.065 0.723 1.000 0.800 CA 1.352 6 residues pruned to eliminate duplicates Z: 18 15.112 1.780 0.234 0.824 1.000 0.588 CA 1.261 18 residues pruned to eliminate duplicates Z: 24 18.164 1.906 0.711 0.572 0.957 0.739 CB 1.133 Z: 16 11.869 1.579 0.669 0.886 1.000 0.600 CB 0.839 15 residues pruned to eliminate duplicates Z: 17 18.957 1.868 0.480 0.905 1.000 0.875 CB 1.220 17 residues pruned to eliminate duplicates Z: 17 12.517 2.001 0.182 0.853 0.938 0.938 CB 1.043 15 residues pruned to eliminate duplicates Z: 17 34.171 2.080 1.159 0.869 1.000 0.688 CA 1.389 17 residues pruned to eliminate duplicates Z: 19 37.285 2.279 0.752 0.907 1.000 0.778 CA 1.564 19 residues pruned to eliminate duplicates Z: 23 15.911 1.916 0.693 0.450 0.773 0.545 CB 1.423 23 residues pruned to eliminate duplicates Z: 12 24.634 2.211 0.941 0.899 0.909 0.636 CA 1.361 12 residues pruned to eliminate duplicates Z: 7 9.955 1.775 0.686 0.570 1.000 0.500 CA 1.269 7 residues pruned to eliminate duplicates Z: 13 33.157 2.338 0.913 0.930 1.000 1.000 CB 1.496 13 residues pruned to eliminate duplicates Z: 24 17.261 2.096 0.628 0.431 0.870 0.609 CB 1.302 24 residues pruned to eliminate duplicates Z: 9 10.231 1.703 0.496 0.891 0.875 0.750 CB 1.167 9 residues pruned to eliminate duplicates Z: 29 20.230 1.776 0.564 0.752 0.929 0.750 CB 1.184 28 residues pruned to eliminate duplicates Z: 7 8.328 1.790 0.514 0.800 1.000 0.667 CA 0.965 7 residues pruned to eliminate duplicates Z: 37 22.653 2.030 0.661 0.442 0.833 0.556 CB 1.427 37 residues pruned to eliminate duplicates Z: 8 7.076 1.741 0.693 0.593 0.714 0.571 CA 1.162 8 residues pruned to eliminate duplicates Z: 13 33.618 2.281 1.040 0.904 1.000 0.917 CB 1.486 13 residues pruned to eliminate duplicates Z: 37 19.788 1.953 0.282 0.576 0.944 0.667 CB 1.297 38 residues pruned to eliminate duplicates Z: 11 13.457 1.779 0.666 0.753 1.000 0.900 CB 1.146 Z: 6 6.416 1.678 0.083 0.722 1.000 0.600 CB 1.292 6 residues pruned to eliminate duplicates Z: 7 2.961 1.807 0.046 0.291 0.833 0.500 CB 0.971 Z: 12 10.318 1.779 0.672 0.552 0.818 0.727 CB 1.216 12 residues pruned to eliminate duplicates Z: 11 10.433 1.820 0.278 0.560 1.000 0.400 CA 1.338 11 residues pruned to eliminate duplicates Z: 36 19.193 2.017 0.580 0.439 0.886 0.543 CB 1.223 55 residues pruned to eliminate duplicates Z: 8 10.141 1.931 0.599 0.570 0.857 0.857 CB 1.354 8 residues pruned to eliminate duplicates Z: 9 11.548 1.774 0.632 0.870 0.875 0.500 CB 1.177 9 residues pruned to eliminate duplicates Z: 58 23.039 1.982 0.436 0.412 0.877 0.491 CB 1.339 58 residues pruned to eliminate duplicates Z: 15 15.271 1.875 0.387 0.883 0.857 0.286 CB 1.324 15 residues pruned to eliminate duplicates Z: 28 19.094 1.788 0.575 0.731 0.926 0.593 CB 1.145 28 residues pruned to eliminate duplicates Z: 27 25.340 2.096 0.785 0.593 0.846 0.615 CB 1.436 27 residues pruned to eliminate duplicates Z: 40 21.224 1.836 0.629 0.584 0.846 0.538 CB 1.239 40 residues pruned to eliminate duplicates Z: 14 29.603 2.193 0.894 0.919 1.000 0.692 CB 1.393 Z: 14 10.629 1.657 0.747 0.915 1.000 0.846 CB 0.720 14 residues pruned to eliminate duplicates Z: 19 16.382 1.970 0.393 0.564 0.944 0.722 CA 1.400 22 residues pruned to eliminate duplicates Z: 19 27.575 2.072 0.796 0.895 0.889 0.611 CA 1.408 19 residues pruned to eliminate duplicates Z: 17 16.893 1.841 0.378 0.897 1.000 0.812 CB 1.193 17 residues pruned to eliminate duplicates Z: 12 8.513 1.952 0.455 0.450 0.909 0.545 CB 1.047 12 residues pruned to eliminate duplicates Z: 6 3.897 1.517 0.383 0.602 0.800 0.800 CA 0.942 6 residues pruned to eliminate duplicates Z: 6 15.008 1.831 1.183 0.659 1.000 1.000 N 1.449 Z: 18 14.553 1.767 0.680 0.609 0.824 0.647 CA 1.301 18 residues pruned to eliminate duplicates Z: 15 27.478 2.113 0.899 0.831 0.857 0.643 CA 1.604 15 residues pruned to eliminate duplicates Z: 17 15.332 1.761 0.328 0.902 1.000 0.875 CA 1.169 17 residues pruned to eliminate duplicates Z: 6 5.210 1.801 0.440 0.516 0.800 0.600 CA 1.105 Z: 7 2.564 1.592 -0.067 0.571 0.833 0.833 CB 0.790 Z: 23 15.900 1.969 0.552 0.479 0.955 0.591 CB 1.187 23 residues pruned to eliminate duplicates Z: 34 20.821 1.899 0.682 0.476 0.879 0.606 CB 1.324 36 residues pruned to eliminate duplicates Z: 21 16.364 1.871 0.718 0.518 0.950 0.550 CB 1.177 21 residues pruned to eliminate duplicates Z: 35 21.741 2.056 0.676 0.444 0.853 0.471 CB 1.344 35 residues pruned to eliminate duplicates Z: 6 5.331 1.829 0.187 0.478 1.000 0.600 CB 1.123 Z: 16 17.498 1.802 0.649 0.943 0.933 0.933 CB 1.129 16 residues pruned to eliminate duplicates Z: 54 22.627 1.919 0.548 0.404 0.868 0.434 CB 1.334 54 residues pruned to eliminate duplicates Z: 9 8.741 1.911 0.450 0.443 1.000 0.625 CB 1.183 Z: 15 5.520 1.729 0.469 0.284 0.643 0.429 CB 1.153 15 residues pruned to eliminate duplicates Z: 33 19.163 2.027 0.583 0.402 0.812 0.562 CA 1.440 33 residues pruned to eliminate duplicates Z: 17 17.097 1.824 0.357 0.888 1.000 0.938 CA 1.244 17 residues pruned to eliminate duplicates Z: 6 2.692 1.585 0.445 0.441 1.000 0.400 CB 0.559 Z: 18 17.933 1.831 0.446 0.868 1.000 0.882 CB 1.201 18 residues pruned to eliminate duplicates Z: 18 25.444 2.079 0.750 0.903 0.882 0.706 CB 1.371 18 residues pruned to eliminate duplicates Z: 11 9.046 1.763 0.383 0.594 1.000 0.700 CB 1.072 11 residues pruned to eliminate duplicates Z: 17 19.284 1.813 0.469 0.853 1.000 0.688 CA 1.338 17 residues pruned to eliminate duplicates Z: 16 14.754 1.644 0.668 0.934 1.000 0.933 CB 0.968 16 residues pruned to eliminate duplicates Z: 16 7.047 1.554 0.449 0.498 0.800 0.467 CA 1.012 16 residues pruned to eliminate duplicates Z: 29 14.502 1.849 0.527 0.385 0.929 0.500 CB 1.180 53 residues pruned to eliminate duplicates Z: 12 21.654 2.254 0.488 0.922 1.000 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 30 15.465 1.945 0.356 0.374 0.966 0.448 CB 1.291 30 residues pruned to eliminate duplicates Z: 36 19.777 2.044 0.515 0.425 0.829 0.600 CB 1.408 36 residues pruned to eliminate duplicates Z: 15 7.795 1.610 0.367 0.516 0.786 0.643 CA 1.186 12 residues pruned to eliminate duplicates Z: 6 3.765 1.524 0.282 0.425 0.800 0.600 O 1.164 Z: 14 13.614 1.692 0.422 0.869 0.923 0.615 CB 1.242 15 residues pruned to eliminate duplicates Z: 17 24.088 2.092 1.033 0.851 0.875 0.688 CB 1.198 17 residues pruned to eliminate duplicates Z: 24 12.264 1.827 0.450 0.453 0.913 0.565 CB 1.110 Z: 17 17.251 1.820 0.569 0.876 0.938 0.562 CB 1.171 17 residues pruned to eliminate duplicates Z: 8 7.809 1.661 0.569 0.537 0.857 0.714 CB 1.274 8 residues pruned to eliminate duplicates Z: 6 7.970 1.764 0.372 0.812 1.000 1.000 CB 1.122 6 residues pruned to eliminate duplicates Z: 12 29.851 2.335 1.050 0.933 1.000 0.909 CB 1.312 13 residues pruned to eliminate duplicates Z: 7 3.029 1.414 0.579 0.408 0.500 0.500 CB 1.221 Z: 9 9.102 1.880 0.061 0.826 0.875 0.750 CA 1.391 9 residues pruned to eliminate duplicates Z: 14 20.447 2.010 1.176 0.903 0.923 0.462 CB 1.002 14 residues pruned to eliminate duplicates Z: 8 6.341 1.641 0.420 0.695 0.857 0.714 CA 1.004 8 residues pruned to eliminate duplicates Z: 10 12.117 1.811 0.644 0.746 1.000 0.556 CA 1.089 10 residues pruned to eliminate duplicates Z: 76 31.114 1.816 0.664 0.502 0.920 0.520 CB 1.290 76 residues pruned to eliminate duplicates Z: 11 12.003 1.889 0.586 0.574 1.000 0.800 CB 1.180 10 residues pruned to eliminate duplicates Z: 25 18.654 1.899 0.524 0.550 1.000 0.667 CB 1.253 26 residues pruned to eliminate duplicates Z: 10 8.511 1.708 0.541 0.828 0.778 0.333 CB 1.044 10 residues pruned to eliminate duplicates Z: 19 24.840 2.056 0.457 0.899 0.944 0.833 CA 1.479 19 residues pruned to eliminate duplicates Z: 9 9.855 1.741 0.344 0.804 0.875 0.500 CA 1.306 9 residues pruned to eliminate duplicates Z: 30 17.964 2.062 0.395 0.417 0.862 0.448 CB 1.467 30 residues pruned to eliminate duplicates Z: 26 16.941 1.901 0.692 0.497 0.960 0.640 CB 1.100 26 residues pruned to eliminate duplicates Z: 16 18.868 1.748 0.785 0.926 1.000 0.533 CB 1.095 16 residues pruned to eliminate duplicates Z: 28 18.815 1.819 0.729 0.580 0.926 0.741 CB 1.152 26 residues pruned to eliminate duplicates Z: 10 16.524 2.042 1.250 0.547 1.000 0.667 CA 1.145 10 residues pruned to eliminate duplicates Z: 11 20.857 1.931 0.919 0.879 1.000 0.800 CA 1.290 11 residues pruned to eliminate duplicates Z: 8 4.204 1.559 0.307 0.572 0.714 0.571 CB 1.019 Z: 8 7.729 1.890 0.381 0.319 1.000 0.143 CA 1.367 8 residues pruned to eliminate duplicates Z: 10 4.405 1.466 0.370 0.479 0.889 0.444 CB 0.840 Z: 11 5.873 1.478 0.305 0.443 0.900 0.600 CB 1.134 Z: 22 12.753 1.824 0.505 0.405 0.810 0.714 CB 1.384 22 residues pruned to eliminate duplicates Z: 23 15.985 2.003 0.561 0.412 0.864 0.636 CB 1.383 23 residues pruned to eliminate duplicates Z: 7 8.273 1.704 0.530 0.774 0.833 0.333 CB 1.221 7 residues pruned to eliminate duplicates Z: 17 14.955 1.806 0.443 0.878 0.875 0.625 CB 1.190 17 residues pruned to eliminate duplicates Z: 10 14.291 1.842 0.622 0.699 1.000 0.889 CB 1.329 10 residues pruned to eliminate duplicates Z: 23 10.180 1.785 0.342 0.328 0.864 0.318 CA 1.267 23 residues pruned to eliminate duplicates Z: 50 34.125 1.969 0.689 0.680 0.878 0.510 CA 1.416 50 residues pruned to eliminate duplicates Z: 9 9.773 1.733 0.395 0.868 0.875 0.625 CA 1.194 9 residues pruned to eliminate duplicates Z: 8 4.122 1.736 0.185 0.369 0.714 0.571 CB 1.220 8 residues pruned to eliminate duplicates Z: 17 30.103 2.170 0.840 0.831 0.875 0.625 CA 1.618 17 residues pruned to eliminate duplicates Z: 20 14.562 1.848 0.741 0.557 0.947 0.684 CB 1.037 20 residues pruned to eliminate duplicates Z: 33 24.829 1.819 0.705 0.659 0.969 0.469 CB 1.260 33 residues pruned to eliminate duplicates Z: 8 4.725 1.571 0.229 0.427 0.857 0.429 CB 1.165 8 residues pruned to eliminate duplicates Z: 27 11.820 1.874 0.336 0.357 0.846 0.538 CB 1.277 27 residues pruned to eliminate duplicates Z: 16 12.922 1.679 0.693 0.653 0.867 0.533 CB 1.175 16 residues pruned to eliminate duplicates Z: 16 17.805 1.766 0.807 0.941 0.933 0.667 CB 1.071 16 residues pruned to eliminate duplicates Z: 17 19.670 1.749 0.773 0.917 1.000 0.750 CB 1.119 17 residues pruned to eliminate duplicates Z: 7 6.580 1.701 0.404 0.852 0.833 0.833 CA 0.998 7 residues pruned to eliminate duplicates Z: 17 13.220 1.538 0.723 0.850 1.000 0.500 CB 0.924 15 residues pruned to eliminate duplicates Z: 8 11.650 1.815 0.334 0.793 1.000 0.857 CB 1.407 8 residues pruned to eliminate duplicates Z: 19 25.510 2.015 0.874 0.857 0.944 0.833 CA 1.243 19 residues pruned to eliminate duplicates Z: 15 18.888 2.129 0.194 0.922 1.000 1.000 CA 1.396 15 residues pruned to eliminate duplicates Z: 25 19.023 1.877 0.534 0.535 1.000 0.708 CA 1.302 25 residues pruned to eliminate duplicates Z: 12 10.600 1.635 0.519 0.592 0.909 0.545 CA 1.297 15 residues pruned to eliminate duplicates Z: 13 7.792 1.651 0.517 0.603 0.833 0.667 CB 0.977 11 residues pruned to eliminate duplicates Z: 17 10.822 1.733 0.686 0.339 0.938 0.562 CB 1.177 26 residues pruned to eliminate duplicates Z: 32 20.588 1.916 0.745 0.483 0.871 0.484 CB 1.292 32 residues pruned to eliminate duplicates Z: 43 18.771 1.973 0.491 0.419 0.833 0.476 CB 1.285 43 residues pruned to eliminate duplicates Z: 17 15.963 1.816 0.350 0.814 0.938 0.625 CA 1.322 17 residues pruned to eliminate duplicates Z: 11 11.584 1.744 0.360 0.705 1.000 0.800 CB 1.282 12 residues pruned to eliminate duplicates Z: 12 10.382 1.546 0.905 0.792 0.818 0.636 CB 1.005 12 residues pruned to eliminate duplicates Z: 11 8.223 1.616 0.219 0.691 0.900 0.300 N 1.231 9 residues pruned to eliminate duplicates Z: 15 10.804 1.820 0.538 0.448 0.929 0.571 CB 1.172 15 residues pruned to eliminate duplicates Z: 18 33.474 2.127 0.960 0.929 0.941 0.765 CA 1.448 18 residues pruned to eliminate duplicates Z: 25 20.248 2.032 0.646 0.508 0.875 0.625 CA 1.400 25 residues pruned to eliminate duplicates Z: 16 18.065 1.759 0.655 0.923 1.000 0.933 CB 1.126 16 residues pruned to eliminate duplicates Z: 10 6.214 1.646 0.153 0.617 0.889 0.667 CB 1.099 10 residues pruned to eliminate duplicates Z: 7 8.947 1.845 0.703 0.577 1.000 0.333 CB 1.080 Z: 17 14.056 1.831 0.444 0.807 0.812 0.562 CA 1.252 17 residues pruned to eliminate duplicates Z: 18 24.391 1.986 0.697 0.899 1.000 0.824 CB 1.255 18 residues pruned to eliminate duplicates Z: 7 11.448 1.986 0.302 0.812 1.000 0.500 CB 1.377 7 residues pruned to eliminate duplicates Z: 16 15.990 1.909 0.214 0.916 1.000 1.000 CA 1.259 16 residues pruned to eliminate duplicates Z: 12 26.599 2.234 0.923 0.873 1.000 0.818 CA 1.360 12 residues pruned to eliminate duplicates Z: 16 15.291 1.717 0.504 0.922 1.000 0.933 CB 1.075 16 residues pruned to eliminate duplicates Z: 17 16.878 1.856 0.354 0.893 1.000 0.875 CA 1.205 17 residues pruned to eliminate duplicates Z: 17 15.284 1.854 0.187 0.860 1.000 0.688 CA 1.277 17 residues pruned to eliminate duplicates Z: 33 16.598 1.891 0.541 0.451 0.844 0.562 CB 1.255 33 residues pruned to eliminate duplicates Z: 14 8.885 1.596 0.058 0.896 0.923 0.615 CB 1.133 14 residues pruned to eliminate duplicates Z: 36 26.714 2.040 0.764 0.655 0.857 0.543 CB 1.268 36 residues pruned to eliminate duplicates Z: 7 3.191 1.599 0.350 0.456 0.667 0.500 CB 0.947 Z: 12 22.050 1.920 1.043 0.918 1.000 0.636 CA 1.195 12 residues pruned to eliminate duplicates Z: 15 11.541 1.597 0.862 0.924 1.000 0.429 CB 0.728 15 residues pruned to eliminate duplicates Z: 16 16.849 1.959 0.425 0.847 1.000 0.867 CB 1.157 15 residues pruned to eliminate duplicates Z: 18 14.834 1.613 0.675 0.861 0.941 0.588 CA 1.040 18 residues pruned to eliminate duplicates Z: 16 13.871 1.697 0.315 0.922 1.000 0.867 CB 1.128 16 residues pruned to eliminate duplicates Z: 13 7.398 1.742 0.775 0.219 0.833 0.417 CA 1.152 Z: 15 8.487 1.507 0.434 0.762 0.857 0.571 CB 0.970 15 residues pruned to eliminate duplicates Z: 19 10.023 1.756 0.332 0.428 0.889 0.389 CB 1.225 19 residues pruned to eliminate duplicates Z: 18 17.498 1.784 0.372 0.854 1.000 0.824 CA 1.280 18 residues pruned to eliminate duplicates Z: 15 9.773 1.635 0.950 0.519 0.857 0.643 CB 0.937 15 residues pruned to eliminate duplicates Z: 8 2.795 1.544 -0.077 0.422 0.857 0.714 CB 0.938 Z: 6 4.831 1.851 0.346 0.291 1.000 0.800 CA 1.096 6 residues pruned to eliminate duplicates Z: 10 3.845 1.283 0.600 0.430 0.778 0.667 CA 0.863 10 residues pruned to eliminate duplicates Z: 17 17.221 1.877 0.372 0.881 0.938 0.625 CB 1.291 17 residues pruned to eliminate duplicates Z: 36 24.901 2.027 0.813 0.580 0.886 0.600 CB 1.197 36 residues pruned to eliminate duplicates Z: 16 12.912 1.828 0.228 0.779 0.933 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 15 12.003 1.605 0.503 0.845 0.929 0.643 CB 1.066 15 residues pruned to eliminate duplicates Z: 17 23.965 2.010 0.717 0.874 1.000 0.812 CB 1.264 17 residues pruned to eliminate duplicates Z: 16 13.991 1.787 0.696 0.634 0.867 0.400 CA 1.212 16 residues pruned to eliminate duplicates Z: 17 9.978 1.986 0.548 0.394 0.875 0.438 CB 1.037 17 residues pruned to eliminate duplicates Z: 15 8.597 1.635 0.535 0.634 0.929 0.571 CB 0.869 15 residues pruned to eliminate duplicates Z: 11 8.177 1.691 0.614 0.720 0.900 0.700 CB 0.862 12 residues pruned to eliminate duplicates Z: 11 7.340 1.788 0.695 0.411 0.800 0.500 CB 1.050 10 residues pruned to eliminate duplicates Z: 8 2.136 1.911 -0.048 0.274 0.857 0.571 CB 0.670 8 residues pruned to eliminate duplicates Z: 6 5.771 1.459 0.641 0.493 1.000 0.600 CB 1.086 Z: 7 5.749 1.599 0.798 0.666 0.667 0.667 N 1.050 7 residues pruned to eliminate duplicates 6 1.114 1.356 -0.096 0.301 0.600 0.600 N 0.845 ? Z: 14 18.941 2.174 0.234 0.858 1.000 0.923 CA 1.442 14 residues pruned to eliminate duplicates Z: 6 5.663 1.806 0.260 0.677 1.000 0.800 CB 0.946 Z: 19 23.558 1.966 0.778 0.865 1.000 0.500 CB 1.163 19 residues pruned to eliminate duplicates Z: 9 12.998 1.591 1.078 0.833 1.000 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 16 11.178 1.557 0.268 0.877 0.933 0.867 CB 1.138 16 residues pruned to eliminate duplicates Z: 12 19.931 1.850 0.961 0.910 1.000 0.818 CA 1.175 12 residues pruned to eliminate duplicates Z: 14 8.544 1.589 0.999 0.935 1.000 0.538 CB 0.520 14 residues pruned to eliminate duplicates Z: 6 3.489 1.289 0.360 0.695 0.800 0.600 CA 0.931 6 residues pruned to eliminate duplicates Z: 12 2.719 1.521 0.647 0.197 0.636 0.273 CA 0.738 12 residues pruned to eliminate duplicates Z: 6 3.543 1.484 0.158 0.556 0.800 0.600 N 1.092 6 residues pruned to eliminate duplicates Z: 15 11.897 1.731 0.161 0.925 1.000 1.000 CB 1.110 15 residues pruned to eliminate duplicates Z: 19 15.575 1.904 0.480 0.558 0.889 0.722 CB 1.385 19 residues pruned to eliminate duplicates Z: 35 33.557 2.213 0.820 0.661 0.853 0.647 CB 1.443 35 residues pruned to eliminate duplicates Z: 14 5.140 1.415 0.445 0.354 0.846 0.462 CB 0.965 8 residues pruned to eliminate duplicates Z: 12 18.941 1.865 0.911 0.894 0.909 0.455 CA 1.264 12 residues pruned to eliminate duplicates Z: 47 32.192 2.102 0.749 0.594 0.870 0.630 CB 1.357 47 residues pruned to eliminate duplicates Z: 11 2.529 1.364 0.430 0.299 0.600 0.400 N 0.855 Z: 10 6.694 1.769 0.291 0.397 0.889 0.667 CA 1.226 10 residues pruned to eliminate duplicates Z: 16 24.987 2.020 0.824 0.903 1.000 0.733 CB 1.248 16 residues pruned to eliminate duplicates Z: 10 9.684 1.735 0.493 0.628 0.889 0.667 CB 1.243 10 residues pruned to eliminate duplicates Z: 12 14.458 1.831 0.519 0.912 1.000 1.000 CA 1.111 12 residues pruned to eliminate duplicates Z: 88 38.763 1.886 0.552 0.613 0.943 0.563 CB 1.353 88 residues pruned to eliminate duplicates Z: 25 11.770 1.646 0.438 0.623 0.958 0.542 CB 0.943 24 residues pruned to eliminate duplicates Z: 16 18.807 2.117 0.130 0.935 1.000 1.000 CB 1.415 16 residues pruned to eliminate duplicates Z: 10 8.955 1.681 0.754 0.496 0.778 0.444 CA 1.307 10 residues pruned to eliminate duplicates Z: 43 17.839 1.949 0.421 0.405 0.881 0.571 CB 1.246 43 residues pruned to eliminate duplicates Z: 44 27.614 1.848 0.588 0.588 0.977 0.535 CB 1.350 44 residues pruned to eliminate duplicates Z: 23 17.615 1.854 0.651 0.554 0.909 0.545 CA 1.280 23 residues pruned to eliminate duplicates Z: 17 18.247 1.816 0.594 0.858 0.938 0.562 CA 1.238 17 residues pruned to eliminate duplicates Z: 18 13.281 1.773 0.408 0.802 0.882 0.647 CA 1.123 18 residues pruned to eliminate duplicates Z: 18 28.261 2.099 0.595 0.931 1.000 0.882 CA 1.431 18 residues pruned to eliminate duplicates Z: 11 8.173 1.658 0.580 0.591 0.900 0.800 CB 1.005 Z: 7 6.821 1.503 0.457 0.771 1.000 0.833 CA 1.001 7 residues pruned to eliminate duplicates Z: 8 9.982 2.129 0.203 0.805 0.857 0.571 CA 1.316 8 residues pruned to eliminate duplicates Z: 19 6.872 1.656 0.251 0.390 0.778 0.444 CB 1.129 19 residues pruned to eliminate duplicates Z: 9 6.609 1.459 0.565 0.609 1.000 0.875 CB 0.923 Z: 16 9.921 1.562 0.366 0.884 0.933 0.733 CB 0.929 15 residues pruned to eliminate duplicates Z: 25 10.110 1.785 0.430 0.325 0.792 0.458 CB 1.238 25 residues pruned to eliminate duplicates Z: 9 6.298 1.657 0.784 0.629 0.875 0.625 CB 0.763 9 residues pruned to eliminate duplicates Z: 6 3.092 1.616 -0.058 0.730 1.000 0.800 CB 0.738 6 residues pruned to eliminate duplicates Z: 22 19.168 2.071 0.680 0.451 0.857 0.429 CA 1.475 22 residues pruned to eliminate duplicates Z: 13 7.944 1.636 1.098 0.910 1.000 0.500 CB 0.474 13 residues pruned to eliminate duplicates Z: 24 18.080 1.899 0.597 0.521 0.957 0.609 CB 1.273 24 residues pruned to eliminate duplicates Z: 14 14.986 1.811 0.355 0.857 1.000 0.923 CA 1.249 14 residues pruned to eliminate duplicates Z: 24 14.769 1.794 0.515 0.580 0.913 0.609 CB 1.148 24 residues pruned to eliminate duplicates Z: 40 25.060 1.977 0.726 0.556 0.872 0.590 CB 1.278 40 residues pruned to eliminate duplicates Z: 17 14.108 1.801 0.313 0.859 0.938 0.875 CA 1.171 17 residues pruned to eliminate duplicates Z: 6 2.686 1.491 0.201 0.576 0.800 0.600 N 0.779 Z: 6 3.728 1.666 0.126 0.300 0.800 0.400 O 1.390 6 residues pruned to eliminate duplicates Z: 21 11.582 1.880 0.298 0.359 0.900 0.600 CB 1.373 21 residues pruned to eliminate duplicates Z: 17 29.515 2.014 0.884 0.926 1.000 0.875 CB 1.364 17 residues pruned to eliminate duplicates Z: 12 12.569 1.647 0.827 0.686 0.909 0.909 CB 1.168 13 residues pruned to eliminate duplicates Z: 7 6.160 1.406 0.698 0.889 1.000 1.000 CB 0.758 7 residues pruned to eliminate duplicates Z: 15 12.836 1.714 0.830 0.533 0.929 0.714 CA 1.140 15 residues pruned to eliminate duplicates Z: 50 25.748 1.838 0.420 0.648 0.939 0.694 CA 1.307 50 residues pruned to eliminate duplicates Z: 16 12.865 1.613 0.628 0.906 1.000 0.733 CB 0.899 16 residues pruned to eliminate duplicates 7 1.526 1.062 0.389 0.271 0.667 0.333 CA 0.821 ? Z: 14 9.645 1.612 0.758 0.539 0.846 0.615 CB 1.074 22 residues pruned to eliminate duplicates Z: 6 5.026 1.634 0.276 0.636 0.800 0.400 CB 1.187 6 residues pruned to eliminate duplicates Z: 18 12.592 1.637 0.343 0.872 1.000 0.765 CA 1.013 18 residues pruned to eliminate duplicates Z: 10 7.490 1.735 0.280 0.580 1.000 0.667 CA 1.041 10 residues pruned to eliminate duplicates Z: 25 15.831 1.718 0.721 0.479 0.917 0.583 CA 1.218 19 residues pruned to eliminate duplicates Z: 24 25.575 2.114 0.879 0.438 0.957 0.739 CB 1.496 24 residues pruned to eliminate duplicates 6 0.884 1.089 -0.037 0.460 0.600 0.400 N 0.654 ? Z: 6 8.145 1.727 0.504 0.659 1.000 1.000 CA 1.210 6 residues pruned to eliminate duplicates Z: 14 8.357 1.844 0.348 0.395 0.846 0.462 CB 1.231 14 residues pruned to eliminate duplicates Z: 28 18.288 1.730 0.575 0.776 0.963 0.704 CB 1.051 28 residues pruned to eliminate duplicates Z: 15 2.951 1.324 0.252 0.396 0.857 0.500 CB 0.620 13 residues pruned to eliminate duplicates Z: 6 5.070 1.125 0.782 0.663 1.000 0.800 CA 0.972 6 residues pruned to eliminate duplicates Z: 10 14.937 2.171 0.665 0.523 0.889 0.333 CA 1.516 10 residues pruned to eliminate duplicates Z: 6 3.567 1.711 -0.057 0.667 1.000 1.000 CB 0.847 Z: 10 4.864 1.513 0.004 0.865 1.000 0.889 CB 0.782 10 residues pruned to eliminate duplicates Z: 16 11.405 1.829 -0.017 0.888 1.000 0.867 CA 1.180 16 residues pruned to eliminate duplicates Z: 15 13.739 1.804 0.484 0.880 0.857 0.571 CB 1.160 15 residues pruned to eliminate duplicates Z: 18 10.815 1.562 0.359 0.776 0.882 0.647 CB 1.098 18 residues pruned to eliminate duplicates Z: 15 23.003 2.192 1.205 0.427 0.929 0.643 CB 1.477 15 residues pruned to eliminate duplicates Z: 17 13.234 1.946 0.206 0.846 1.000 0.812 CB 1.047 17 residues pruned to eliminate duplicates Z: 12 13.655 1.851 0.599 0.868 1.000 0.727 CA 1.017 12 residues pruned to eliminate duplicates Z: 13 8.321 1.633 0.468 0.569 0.917 0.500 CB 1.022 13 residues pruned to eliminate duplicates Z: 17 18.366 1.841 0.552 0.872 0.938 0.750 CB 1.249 17 residues pruned to eliminate duplicates Z: 9 9.369 1.815 0.749 0.569 0.875 0.625 CA 1.116 9 residues pruned to eliminate duplicates Z: 24 22.384 2.087 0.654 0.393 1.000 0.522 CA 1.515 25 residues pruned to eliminate duplicates Z: 7 4.522 1.499 0.236 0.756 1.000 0.833 CB 0.793 7 residues pruned to eliminate duplicates Z: 7 2.719 1.459 0.036 0.381 1.000 0.500 C 0.834 Z: 28 20.085 2.060 0.583 0.563 0.815 0.593 CB 1.368 41 residues pruned to eliminate duplicates Z: 72 35.414 2.052 0.585 0.542 0.887 0.549 CB 1.397 67 residues pruned to eliminate duplicates Z: 9 2.920 1.507 0.192 0.316 0.750 0.500 CB 0.938 Z: 35 21.108 1.759 0.657 0.616 0.882 0.500 CB 1.261 35 residues pruned to eliminate duplicates Z: 7 4.664 1.395 0.645 0.700 0.667 0.500 C 1.037 Z: 9 4.728 2.099 -0.412 0.914 1.000 1.000 CB 0.958 9 residues pruned to eliminate duplicates Z: 6 2.005 1.251 0.399 0.357 0.800 0.600 CB 0.746 Z: 10 2.169 1.230 0.395 0.219 0.667 0.444 N 0.878 Z: 46 36.826 2.116 0.684 0.673 0.867 0.644 CA 1.515 46 residues pruned to eliminate duplicates Z: 9 8.161 1.521 0.566 0.575 1.000 0.750 CA 1.127 Z: 44 26.679 1.851 0.659 0.621 0.884 0.605 CB 1.336 44 residues pruned to eliminate duplicates Z: 16 13.620 1.648 0.735 0.861 1.000 0.667 CB 0.904 16 residues pruned to eliminate duplicates Z: 8 13.842 1.979 0.632 0.730 1.000 0.714 CA 1.318 8 residues pruned to eliminate duplicates Z: 17 13.288 1.537 0.622 0.832 1.000 0.812 CB 1.000 17 residues pruned to eliminate duplicates Z: 34 18.823 1.744 0.582 0.609 0.879 0.424 CB 1.218 34 residues pruned to eliminate duplicates Z: 11 2.586 1.356 0.420 0.321 0.600 0.400 CB 0.862 12 residues pruned to eliminate duplicates Z: 21 11.981 2.029 0.468 0.398 0.750 0.450 CB 1.335 21 residues pruned to eliminate duplicates Z: 6 3.359 1.426 -0.062 0.455 1.000 0.600 CB 1.177 Z: 8 8.851 1.722 0.497 0.900 1.000 0.857 CB 0.927 8 residues pruned to eliminate duplicates Z: 31 18.207 1.895 0.513 0.386 0.933 0.367 CB 1.402 31 residues pruned to eliminate duplicates Z: 19 19.532 2.084 0.653 0.531 0.833 0.611 CB 1.555 19 residues pruned to eliminate duplicates Z: 10 13.430 1.908 0.547 0.607 0.889 0.667 CB 1.541 10 residues pruned to eliminate duplicates Z: 13 8.064 1.601 0.545 0.519 0.833 0.667 CA 1.108 10 residues pruned to eliminate duplicates Z: 7 3.147 1.707 0.178 0.280 0.667 0.167 O 1.228 Z: 8 7.067 1.496 0.754 0.599 1.000 0.857 CB 0.926 8 residues pruned to eliminate duplicates Z: 16 14.046 1.592 0.407 0.900 1.000 0.800 CB 1.156 16 residues pruned to eliminate duplicates Z: 7 5.376 1.580 0.752 0.420 0.667 0.167 N 1.292 Z: 6 6.138 1.791 0.142 0.740 1.000 0.400 CB 1.082 Z: 16 28.775 2.053 1.200 0.947 1.000 0.800 CB 1.137 18 residues pruned to eliminate duplicates Z: 12 6.772 1.640 0.762 0.461 0.727 0.455 CB 1.012 12 residues pruned to eliminate duplicates Z: 7 3.085 1.334 0.255 0.446 0.833 0.500 CA 0.955 Z: 31 12.122 1.544 0.650 0.547 0.833 0.400 CB 0.996 31 residues pruned to eliminate duplicates Z: 6 3.729 1.524 0.249 0.572 1.000 0.600 CA 0.817 6 residues pruned to eliminate duplicates Z: 13 12.710 1.669 1.055 0.921 1.000 0.583 CB 0.753 13 residues pruned to eliminate duplicates Z: 7 3.125 1.198 0.363 0.605 0.833 0.500 CB 0.849 Using tripeptides from previous cycle as seeds Z: 17 29.677 2.122 0.743 0.890 1.000 0.875 CA 1.443 17 residues pruned to eliminate duplicates Z: 17 31.430 2.061 1.031 0.873 1.000 0.500 CB 1.368 17 residues pruned to eliminate duplicates Z: 39 41.818 2.210 0.702 0.778 0.947 0.711 CB 1.490 39 residues pruned to eliminate duplicates Z: 55 54.868 2.170 0.883 0.754 0.944 0.685 CB 1.543 61 residues pruned to eliminate duplicates Z: 17 27.555 2.002 1.219 0.927 0.938 0.500 CB 1.159 17 residues pruned to eliminate duplicates Z: 60 47.960 2.140 0.844 0.678 0.915 0.525 CA 1.468 60 residues pruned to eliminate duplicates Z: 41 47.764 2.167 0.818 0.771 0.975 0.700 CB 1.547 41 residues pruned to eliminate duplicates Z: 59 47.452 2.120 0.690 0.709 0.983 0.586 CA 1.463 59 residues pruned to eliminate duplicates Z: 40 43.763 2.217 0.756 0.795 0.949 0.590 CB 1.465 40 residues pruned to eliminate duplicates Z: 42 41.984 2.185 0.786 0.763 0.902 0.707 CA 1.474 42 residues pruned to eliminate duplicates Z: 38 49.579 2.257 0.890 0.803 0.946 0.757 CB 1.550 38 residues pruned to eliminate duplicates Z: 76 46.092 2.086 0.767 0.626 0.920 0.667 CB 1.394 132 residues pruned to eliminate duplicates Z: 46 41.999 2.168 0.776 0.686 0.911 0.644 CB 1.505 Z: 19 26.920 1.923 1.095 0.849 1.000 0.611 CB 1.167 19 residues pruned to eliminate duplicates Z: 27 22.178 2.033 0.738 0.607 0.923 0.462 CB 1.205 27 residues pruned to eliminate duplicates Z: 61 45.158 2.138 0.713 0.685 0.933 0.617 CA 1.440 46 residues pruned to eliminate duplicates Z: 21 26.684 2.079 0.910 0.723 1.000 0.750 CB 1.228 21 residues pruned to eliminate duplicates Z: 39 50.441 2.257 0.863 0.800 0.974 0.658 CB 1.537 46 residues pruned to eliminate duplicates Z: 21 32.603 2.173 0.694 0.845 0.900 0.600 CA 1.636 21 residues pruned to eliminate duplicates Z: 38 47.509 2.245 1.023 0.799 0.892 0.541 CB 1.484 38 residues pruned to eliminate duplicates Z: 55 53.850 2.162 0.836 0.763 0.981 0.593 CB 1.489 54 residues pruned to eliminate duplicates Z: 21 33.008 2.129 0.789 0.882 1.000 0.550 CA 1.402 21 residues pruned to eliminate duplicates Z: 63 50.093 2.110 0.924 0.673 0.919 0.581 CB 1.453 55 residues pruned to eliminate duplicates Z: 22 26.088 2.005 0.794 0.804 0.857 0.476 CA 1.416 22 residues pruned to eliminate duplicates Z: 62 46.469 2.114 0.864 0.663 0.918 0.574 CB 1.414 63 residues pruned to eliminate duplicates Z: 21 30.343 2.175 0.645 0.898 0.950 0.700 CA 1.428 21 residues pruned to eliminate duplicates Z: 62 48.351 2.126 0.748 0.699 0.951 0.525 CB 1.461 62 residues pruned to eliminate duplicates Z: 18 41.644 2.307 0.837 0.909 1.000 0.588 CA 1.691 18 residues pruned to eliminate duplicates Z: 41 40.382 2.136 0.895 0.677 0.875 0.500 CA 1.532 41 residues pruned to eliminate duplicates Z: 44 46.194 2.194 0.944 0.705 0.907 0.442 CB 1.511 44 residues pruned to eliminate duplicates Z: 56 53.865 2.157 0.961 0.748 0.964 0.564 CB 1.427 63 residues pruned to eliminate duplicates Z: 20 35.888 2.223 0.842 0.902 0.947 0.737 CA 1.514 20 residues pruned to eliminate duplicates Z: 22 27.422 2.134 0.872 0.600 0.857 0.286 CA 1.588 22 residues pruned to eliminate duplicates Z: 45 48.455 2.197 0.884 0.717 0.955 0.614 CB 1.520 45 residues pruned to eliminate duplicates Z: 56 54.816 2.192 0.921 0.751 0.927 0.655 CB 1.513 55 residues pruned to eliminate duplicates Z: 21 35.243 2.199 0.782 0.829 1.000 0.650 CA 1.514 21 residues pruned to eliminate duplicates Z: 56 48.671 2.130 0.945 0.736 0.909 0.491 CB 1.410 56 residues pruned to eliminate duplicates Z: 60 49.956 2.123 0.848 0.692 0.932 0.576 CB 1.492 60 residues pruned to eliminate duplicates Z: 12 19.014 1.928 0.935 0.808 1.000 0.909 CA 1.175 12 residues pruned to eliminate duplicates Z: 12 22.023 1.955 1.044 0.814 1.000 0.727 CA 1.264 12 residues pruned to eliminate duplicates Z: 10 19.705 1.899 0.929 0.885 1.000 0.556 CB 1.294 10 residues pruned to eliminate duplicates Z: 54 37.405 2.027 0.936 0.665 0.868 0.396 CB 1.294 54 residues pruned to eliminate duplicates Z: 15 19.569 1.985 0.817 0.619 0.929 0.357 CA 1.395 15 residues pruned to eliminate duplicates Z: 61 52.196 2.131 0.898 0.694 0.933 0.717 CB 1.495 56 residues pruned to eliminate duplicates Z: 13 19.900 1.839 0.978 0.889 1.000 0.833 CA 1.137 13 residues pruned to eliminate duplicates Z: 59 51.239 2.074 0.948 0.724 0.948 0.672 CB 1.434 59 residues pruned to eliminate duplicates Z: 58 34.873 1.955 0.703 0.650 0.877 0.614 CA 1.375 58 residues pruned to eliminate duplicates Z: 12 23.643 2.082 0.974 0.813 0.909 0.455 CA 1.453 12 residues pruned to eliminate duplicates Z: 15 19.568 1.989 0.719 0.660 1.000 0.286 CA 1.319 15 residues pruned to eliminate duplicates Z: 11 2.413 1.477 0.077 0.173 0.800 0.400 CB 0.890 11 residues pruned to eliminate duplicates Z: 8 4.121 1.552 0.532 0.206 0.857 0.429 CB 1.083 5 residues pruned to eliminate duplicates Z: 6 3.938 1.530 1.125 0.257 0.800 0.400 CA 0.895 6 residues pruned to eliminate duplicates Z: 29 19.428 1.960 0.724 0.513 0.893 0.536 CB 1.202 29 residues pruned to eliminate duplicates Z: 7 5.098 1.414 0.537 0.504 1.000 0.833 N 0.954 7 residues pruned to eliminate duplicates Z: 18 23.165 2.084 0.633 0.638 1.000 0.765 CA 1.450 18 residues pruned to eliminate duplicates Z: 16 23.134 2.148 0.647 0.723 0.933 0.733 CA 1.478 16 residues pruned to eliminate duplicates Z: 25 24.173 2.131 0.726 0.521 0.875 0.667 CA 1.501 25 residues pruned to eliminate duplicates Z: 17 18.156 2.067 0.654 0.589 0.875 0.750 CA 1.394 17 residues pruned to eliminate duplicates Z: 18 21.084 2.075 0.811 0.665 0.882 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 21 21.613 1.981 0.828 0.639 0.850 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 16 15.017 2.007 0.717 0.570 0.800 0.600 CA 1.314 15 residues pruned to eliminate duplicates Z: 6 4.507 1.942 -0.103 0.213 1.000 0.600 N 1.624 6 residues pruned to eliminate duplicates Z: 41 35.719 2.179 0.797 0.591 0.950 0.600 CA 1.391 41 residues pruned to eliminate duplicates Z: 19 20.018 2.127 0.602 0.464 0.944 0.444 CA 1.522 19 residues pruned to eliminate duplicates Z: 23 21.200 2.043 0.731 0.442 0.864 0.591 CA 1.572 23 residues pruned to eliminate duplicates Z: 31 19.329 2.004 0.647 0.434 0.767 0.467 CB 1.493 31 residues pruned to eliminate duplicates Z: 54 32.143 2.062 0.753 0.527 0.906 0.566 CA 1.314 54 residues pruned to eliminate duplicates Z: 21 19.711 2.065 0.710 0.481 0.950 0.500 CA 1.339 21 residues pruned to eliminate duplicates Z: 18 18.669 2.111 0.841 0.424 0.882 0.588 CA 1.429 18 residues pruned to eliminate duplicates Z: 73 43.720 2.113 0.811 0.580 0.917 0.694 CB 1.360 73 residues pruned to eliminate duplicates Z: 69 41.742 2.163 0.717 0.565 0.926 0.691 CA 1.381 69 residues pruned to eliminate duplicates Z: 25 27.085 2.178 0.836 0.498 1.000 0.708 CA 1.385 25 residues pruned to eliminate duplicates Z: 74 44.155 2.102 0.826 0.605 0.945 0.630 CB 1.290 74 residues pruned to eliminate duplicates Z: 61 35.460 2.138 0.717 0.504 0.933 0.700 CA 1.331 61 residues pruned to eliminate duplicates Z: 35 28.579 2.103 0.838 0.551 0.941 0.647 CA 1.281 35 residues pruned to eliminate duplicates Z: 48 37.851 2.128 0.867 0.600 0.936 0.617 CB 1.350 48 residues pruned to eliminate duplicates Z: 17 24.610 2.087 0.801 0.728 1.000 0.625 CA 1.333 17 residues pruned to eliminate duplicates Z: 59 34.185 2.098 0.592 0.595 0.931 0.638 CA 1.319 59 residues pruned to eliminate duplicates Z: 65 41.423 2.157 0.773 0.561 0.922 0.578 CB 1.384 65 residues pruned to eliminate duplicates Z: 52 37.561 2.152 0.750 0.556 0.941 0.608 CB 1.405 52 residues pruned to eliminate duplicates Z: 41 36.858 2.164 0.947 0.666 0.900 0.625 CB 1.318 41 residues pruned to eliminate duplicates Z: 31 23.362 2.108 0.818 0.529 0.800 0.533 CA 1.351 31 residues pruned to eliminate duplicates Z: 42 35.345 2.136 0.830 0.577 0.951 0.634 CA 1.378 42 residues pruned to eliminate duplicates Z: 39 40.270 2.194 1.006 0.707 0.921 0.553 CB 1.336 39 residues pruned to eliminate duplicates Z: 14 24.879 2.167 1.191 0.782 0.846 0.385 CA 1.339 14 residues pruned to eliminate duplicates Z: 14 26.423 2.211 1.109 0.771 0.846 0.308 CB 1.461 14 residues pruned to eliminate duplicates Z: 14 28.986 2.229 1.335 0.781 0.846 0.538 CB 1.425 14 residues pruned to eliminate duplicates Z: 14 25.397 2.221 1.154 0.766 0.846 0.231 CB 1.375 14 residues pruned to eliminate duplicates Z: 45 30.196 2.102 0.704 0.629 0.909 0.568 CB 1.238 45 residues pruned to eliminate duplicates Z: 34 34.190 2.216 0.602 0.697 0.939 0.636 CB 1.491 34 residues pruned to eliminate duplicates Z: 64 50.601 2.212 0.840 0.629 0.968 0.635 CB 1.433 64 residues pruned to eliminate duplicates Z: 34 26.818 2.127 0.841 0.555 0.848 0.455 CB 1.332 34 residues pruned to eliminate duplicates Z: 28 27.356 2.142 0.889 0.641 0.889 0.519 CB 1.282 28 residues pruned to eliminate duplicates Z: 30 24.260 2.101 0.772 0.593 0.862 0.586 CB 1.284 30 residues pruned to eliminate duplicates Z: 29 28.828 2.167 0.765 0.640 0.857 0.571 CB 1.459 29 residues pruned to eliminate duplicates Z: 23 10.772 1.890 0.648 0.318 0.727 0.409 CA 1.239 23 residues pruned to eliminate duplicates Z: 67 50.669 2.194 0.953 0.600 0.924 0.576 CB 1.432 67 residues pruned to eliminate duplicates Z: 31 19.519 1.999 0.834 0.440 0.800 0.500 CA 1.292 31 residues pruned to eliminate duplicates Z: 25 16.106 1.952 0.743 0.443 0.792 0.458 CA 1.294 25 residues pruned to eliminate duplicates Z: 24 16.291 1.946 0.780 0.405 0.783 0.522 CB 1.385 24 residues pruned to eliminate duplicates Z: 34 19.984 2.051 0.698 0.415 0.788 0.515 CB 1.386 34 residues pruned to eliminate duplicates Z: 24 16.380 1.986 0.737 0.442 0.826 0.522 CA 1.272 24 residues pruned to eliminate duplicates Z: 23 17.630 2.114 0.535 0.489 0.818 0.500 CB 1.431 23 residues pruned to eliminate duplicates Z: 35 19.620 2.054 0.700 0.453 0.765 0.382 CB 1.323 35 residues pruned to eliminate duplicates Z: 35 16.922 2.064 0.387 0.388 0.824 0.353 CB 1.386 35 residues pruned to eliminate duplicates Z: 35 19.574 2.038 0.489 0.418 0.882 0.500 CB 1.366 35 residues pruned to eliminate duplicates Z: 38 21.281 2.063 0.522 0.443 0.892 0.486 CB 1.325 38 residues pruned to eliminate duplicates Z: 32 24.577 2.082 0.722 0.464 0.903 0.484 CB 1.414 32 residues pruned to eliminate duplicates Z: 36 21.921 2.041 0.713 0.440 0.857 0.457 CB 1.315 36 residues pruned to eliminate duplicates Z: 46 23.202 2.035 0.469 0.450 0.911 0.533 CB 1.337 46 residues pruned to eliminate duplicates Z: 24 17.666 2.035 0.559 0.443 0.913 0.478 CB 1.348 24 residues pruned to eliminate duplicates Z: 23 17.046 2.093 0.559 0.415 0.864 0.500 CB 1.408 23 residues pruned to eliminate duplicates Z: 23 18.152 2.145 0.545 0.478 0.909 0.591 CB 1.314 23 residues pruned to eliminate duplicates Z: 55 26.901 2.079 0.542 0.435 0.870 0.463 CB 1.402 55 residues pruned to eliminate duplicates Z: 23 18.006 2.128 0.648 0.478 0.909 0.500 CB 1.232 23 residues pruned to eliminate duplicates Z: 22 17.988 2.144 0.618 0.446 0.952 0.429 CB 1.256 22 residues pruned to eliminate duplicates Z: 24 15.615 2.081 0.455 0.405 0.913 0.609 CB 1.301 24 residues pruned to eliminate duplicates Z: 133 46.148 1.972 0.611 0.534 0.902 0.576 CB 1.357 133 residues pruned to eliminate duplicates Z: 72 30.186 2.042 0.527 0.443 0.887 0.380 CB 1.372 72 residues pruned to eliminate duplicates Z: 23 14.168 2.108 0.602 0.417 0.818 0.455 CB 1.192 23 residues pruned to eliminate duplicates Z: 47 33.937 2.142 0.701 0.598 0.935 0.543 CB 1.338 47 residues pruned to eliminate duplicates Z: 24 16.972 2.141 0.448 0.457 0.913 0.522 CB 1.307 24 residues pruned to eliminate duplicates Z: 22 16.351 2.104 0.510 0.464 0.952 0.571 CB 1.223 22 residues pruned to eliminate duplicates Z: 57 27.650 2.058 0.529 0.437 0.893 0.500 CB 1.404 57 residues pruned to eliminate duplicates Z: 30 16.349 1.896 0.356 0.439 0.931 0.483 CB 1.352 30 residues pruned to eliminate duplicates Z: 58 26.295 2.029 0.518 0.456 0.860 0.526 CB 1.376 58 residues pruned to eliminate duplicates Z: 62 31.792 2.087 0.630 0.484 0.869 0.426 CB 1.400 62 residues pruned to eliminate duplicates Z: 68 28.274 2.016 0.489 0.437 0.896 0.493 CB 1.371 68 residues pruned to eliminate duplicates Z: 66 24.391 1.993 0.429 0.415 0.862 0.477 CB 1.347 66 residues pruned to eliminate duplicates Z: 57 29.754 2.061 0.588 0.445 0.946 0.482 CB 1.358 57 residues pruned to eliminate duplicates Z: 57 26.235 2.021 0.582 0.425 0.893 0.482 CB 1.327 57 residues pruned to eliminate duplicates Z: 121 42.776 2.052 0.683 0.462 0.867 0.542 CB 1.357 121 residues pruned to eliminate duplicates Z: 63 25.060 2.012 0.477 0.414 0.887 0.597 CB 1.321 63 residues pruned to eliminate duplicates Z: 96 36.622 2.015 0.594 0.494 0.863 0.537 CB 1.364 96 residues pruned to eliminate duplicates Z: 37 21.928 2.025 0.566 0.403 0.917 0.444 CB 1.393 37 residues pruned to eliminate duplicates Z: 45 20.194 1.984 0.461 0.391 0.841 0.386 CB 1.402 45 residues pruned to eliminate duplicates Z: 44 23.911 2.056 0.510 0.479 0.930 0.558 CB 1.289 44 residues pruned to eliminate duplicates Z: 48 24.109 1.978 0.536 0.415 0.894 0.489 CB 1.415 48 residues pruned to eliminate duplicates Z: 25 17.435 1.910 0.635 0.437 0.875 0.542 CB 1.390 25 residues pruned to eliminate duplicates Z: 35 24.518 2.042 0.625 0.439 0.941 0.588 CB 1.433 35 residues pruned to eliminate duplicates Z: 47 21.169 2.026 0.468 0.413 0.891 0.500 CB 1.290 47 residues pruned to eliminate duplicates Z: 86 30.969 1.976 0.510 0.509 0.859 0.424 CB 1.300 86 residues pruned to eliminate duplicates Z: 26 16.157 2.002 0.404 0.449 0.840 0.520 CB 1.442 26 residues pruned to eliminate duplicates Z: 20 14.311 1.994 0.449 0.491 0.842 0.421 CB 1.362 20 residues pruned to eliminate duplicates Z: 16 15.793 2.005 0.653 0.386 0.933 0.533 CA 1.487 16 residues pruned to eliminate duplicates Z: 71 29.295 2.000 0.641 0.404 0.886 0.486 CB 1.332 71 residues pruned to eliminate duplicates Z: 43 17.942 1.932 0.347 0.367 0.952 0.500 CB 1.289 43 residues pruned to eliminate duplicates Z: 17 20.322 2.056 0.689 0.439 1.000 0.625 CA 1.557 17 residues pruned to eliminate duplicates Z: 37 16.141 1.956 0.346 0.384 0.833 0.389 CB 1.386 37 residues pruned to eliminate duplicates Z: 57 28.089 2.020 0.570 0.428 0.929 0.464 CB 1.373 57 residues pruned to eliminate duplicates Z: 10 13.364 1.969 0.553 0.602 0.889 0.556 CB 1.487 10 residues pruned to eliminate duplicates Z: 66 34.902 1.911 0.619 0.642 0.923 0.569 CB 1.328 66 residues pruned to eliminate duplicates Z: 11 13.795 1.995 0.609 0.650 0.900 0.500 CA 1.314 11 residues pruned to eliminate duplicates Z: 40 19.588 1.983 0.403 0.410 0.923 0.487 CB 1.343 40 residues pruned to eliminate duplicates Z: 11 15.111 2.052 0.770 0.659 0.800 0.500 CA 1.419 11 residues pruned to eliminate duplicates Z: 28 18.709 1.951 0.590 0.375 0.926 0.630 CB 1.432 28 residues pruned to eliminate duplicates Z: 24 10.953 1.674 0.573 0.286 0.826 0.478 CA 1.335 24 residues pruned to eliminate duplicates Z: 30 22.104 1.909 0.492 0.662 0.931 0.655 CB 1.332 30 residues pruned to eliminate duplicates Z: 22 20.710 1.853 0.574 0.792 0.952 0.810 CA 1.259 22 residues pruned to eliminate duplicates Z: 13 11.224 1.805 0.468 0.602 0.917 0.583 CA 1.210 13 residues pruned to eliminate duplicates Z: 8 5.915 1.741 0.160 0.385 1.000 0.571 CA 1.250 8 residues pruned to eliminate duplicates Z: 122 41.707 1.953 0.511 0.543 0.934 0.545 CB 1.320 122 residues pruned to eliminate duplicates Z: 59 29.081 1.906 0.454 0.626 0.931 0.672 CB 1.315 59 residues pruned to eliminate duplicates Z: 61 30.232 1.898 0.530 0.586 0.917 0.517 CB 1.350 61 residues pruned to eliminate duplicates Z: 68 31.479 1.888 0.516 0.629 0.925 0.582 CB 1.287 68 residues pruned to eliminate duplicates Z: 58 30.400 1.904 0.579 0.580 0.965 0.614 CB 1.284 58 residues pruned to eliminate duplicates Z: 56 33.755 1.945 0.735 0.573 0.927 0.673 CB 1.355 56 residues pruned to eliminate duplicates Z: 31 20.900 1.885 0.563 0.666 0.967 0.533 CB 1.149 31 residues pruned to eliminate duplicates Z: 21 16.537 1.857 0.495 0.687 0.850 0.500 CB 1.320 21 residues pruned to eliminate duplicates Z: 59 27.988 1.860 0.494 0.613 0.862 0.500 CB 1.378 59 residues pruned to eliminate duplicates Z: 70 34.219 1.874 0.660 0.632 0.913 0.594 CB 1.281 70 residues pruned to eliminate duplicates Z: 58 32.919 1.936 0.536 0.625 0.947 0.632 CB 1.375 58 residues pruned to eliminate duplicates Z: 58 33.405 1.932 0.641 0.639 0.912 0.614 CB 1.343 58 residues pruned to eliminate duplicates Z: 46 27.984 1.895 0.621 0.616 0.889 0.578 CB 1.369 46 residues pruned to eliminate duplicates Z: 102 41.383 1.946 0.543 0.566 0.950 0.584 CB 1.353 102 residues pruned to eliminate duplicates Z: 68 34.837 1.896 0.580 0.646 0.940 0.567 CB 1.319 68 residues pruned to eliminate duplicates Z: 62 29.738 1.898 0.463 0.610 0.951 0.590 CB 1.300 62 residues pruned to eliminate duplicates Z: 66 34.682 1.898 0.585 0.644 0.954 0.631 CB 1.310 66 residues pruned to eliminate duplicates Z: 62 28.348 1.858 0.611 0.603 0.869 0.508 CB 1.265 62 residues pruned to eliminate duplicates Z: 59 32.118 1.885 0.673 0.643 0.897 0.448 CB 1.305 59 residues pruned to eliminate duplicates Z: 37 22.853 1.936 0.410 0.566 0.917 0.611 CA 1.428 37 residues pruned to eliminate duplicates Z: 101 42.861 1.943 0.604 0.565 0.940 0.630 CB 1.374 101 residues pruned to eliminate duplicates Z: 6 5.372 1.540 0.959 0.373 1.000 0.600 CB 0.912 6 residues pruned to eliminate duplicates Z: 44 22.768 1.851 0.670 0.474 0.860 0.465 CB 1.341 44 residues pruned to eliminate duplicates Z: 45 30.650 1.916 0.702 0.584 0.955 0.568 CB 1.370 45 residues pruned to eliminate duplicates Z: 46 32.187 1.928 0.783 0.634 0.911 0.556 CB 1.351 46 residues pruned to eliminate duplicates Z: 46 25.518 1.873 0.672 0.578 0.822 0.511 CB 1.370 46 residues pruned to eliminate duplicates Z: 75 35.347 1.901 0.682 0.560 0.919 0.473 CB 1.319 75 residues pruned to eliminate duplicates Z: 38 25.102 1.918 0.700 0.597 0.865 0.703 CB 1.334 38 residues pruned to eliminate duplicates Z: 74 39.545 1.919 0.653 0.600 0.932 0.589 CB 1.424 74 residues pruned to eliminate duplicates Z: 65 34.995 1.887 0.704 0.590 0.922 0.625 CB 1.354 65 residues pruned to eliminate duplicates Z: 67 34.566 1.901 0.633 0.643 0.924 0.606 CB 1.297 67 residues pruned to eliminate duplicates Z: 41 22.552 1.812 0.591 0.599 0.875 0.475 CB 1.286 39 residues pruned to eliminate duplicates Z: 16 18.358 1.882 0.493 0.877 0.933 0.600 CA 1.312 16 residues pruned to eliminate duplicates Z: 68 35.408 1.888 0.688 0.597 0.940 0.567 CB 1.316 68 residues pruned to eliminate duplicates Z: 87 38.092 1.926 0.583 0.566 0.930 0.581 CB 1.359 87 residues pruned to eliminate duplicates Z: 39 27.822 1.884 0.638 0.588 1.000 0.605 CB 1.343 41 residues pruned to eliminate duplicates Z: 18 13.412 1.765 0.464 0.789 0.824 0.588 CA 1.186 18 residues pruned to eliminate duplicates Z: 29 16.947 1.896 0.437 0.467 0.964 0.464 CB 1.260 29 residues pruned to eliminate duplicates Z: 48 27.385 1.874 0.621 0.513 0.936 0.468 CB 1.387 48 residues pruned to eliminate duplicates Z: 32 17.775 1.835 0.420 0.652 0.871 0.613 CB 1.221 32 residues pruned to eliminate duplicates Z: 132 47.441 2.004 0.585 0.524 0.924 0.534 CB 1.379 132 residues pruned to eliminate duplicates Z: 34 19.611 1.793 0.548 0.615 0.879 0.636 CB 1.256 34 residues pruned to eliminate duplicates Z: 61 32.984 1.887 0.574 0.628 0.967 0.633 CB 1.314 61 residues pruned to eliminate duplicates Z: 59 33.525 1.927 0.592 0.625 0.948 0.655 CB 1.345 59 residues pruned to eliminate duplicates Z: 44 29.021 1.911 0.676 0.567 0.930 0.512 CB 1.391 44 residues pruned to eliminate duplicates Z: 45 27.675 1.908 0.586 0.586 0.932 0.591 CB 1.362 45 residues pruned to eliminate duplicates Z: 17 14.372 1.876 0.306 0.738 1.000 0.625 CB 1.184 17 residues pruned to eliminate duplicates Z: 66 36.104 1.879 0.725 0.601 0.954 0.600 CB 1.315 66 residues pruned to eliminate duplicates Z: 76 39.120 1.905 0.737 0.626 0.920 0.627 CB 1.318 76 residues pruned to eliminate duplicates Z: 66 38.032 1.898 0.673 0.674 0.954 0.677 CB 1.327 66 residues pruned to eliminate duplicates Z: 47 28.124 1.877 0.736 0.533 0.935 0.543 CB 1.317 47 residues pruned to eliminate duplicates Z: 66 36.575 1.903 0.638 0.604 0.985 0.631 CB 1.339 66 residues pruned to eliminate duplicates Z: 67 35.336 1.894 0.659 0.632 0.955 0.561 CB 1.282 67 residues pruned to eliminate duplicates Z: 9 8.885 1.680 0.721 0.783 0.875 0.375 CB 0.968 9 residues pruned to eliminate duplicates Z: 46 27.211 1.821 0.723 0.576 0.911 0.578 CB 1.318 46 residues pruned to eliminate duplicates Z: 56 33.071 1.883 0.677 0.634 0.964 0.582 CB 1.292 56 residues pruned to eliminate duplicates Z: 97 47.236 1.909 0.743 0.599 0.979 0.573 CB 1.346 102 residues pruned to eliminate duplicates Z: 9 10.891 1.570 0.922 0.825 1.000 0.750 CB 0.963 10 residues pruned to eliminate duplicates Z: 7 9.871 1.698 0.910 0.822 1.000 0.667 CB 0.940 8 residues pruned to eliminate duplicates Z: 8 9.428 1.714 0.845 0.795 1.000 0.571 CB 0.870 8 residues pruned to eliminate duplicates Z: 13 6.303 1.611 0.425 0.434 0.750 0.500 CB 1.131 13 residues pruned to eliminate duplicates Z: 13 8.299 1.571 0.646 0.461 0.833 0.583 CB 1.157 13 residues pruned to eliminate duplicates Z: 16 7.498 1.536 0.389 0.401 0.800 0.533 CA 1.259 16 residues pruned to eliminate duplicates Z: 11 8.897 1.743 0.344 0.590 0.900 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 9 8.490 1.696 0.639 0.476 0.875 0.500 CA 1.264 9 residues pruned to eliminate duplicates Z: 16 10.380 1.522 0.633 0.480 0.867 0.467 CB 1.269 49 residues pruned to eliminate duplicates Z: 17 8.701 1.620 0.611 0.404 0.875 0.562 CB 1.054 Z: 17 14.112 1.559 0.507 0.850 1.000 0.688 CB 1.112 17 residues pruned to eliminate duplicates Z: 17 12.315 1.632 0.630 0.765 0.938 0.625 CB 0.976 17 residues pruned to eliminate duplicates Z: 23 12.123 1.562 0.498 0.652 0.909 0.591 CB 1.055 23 residues pruned to eliminate duplicates Z: 11 11.289 1.688 0.387 0.815 0.900 0.800 CB 1.288 11 residues pruned to eliminate duplicates Z: 15 12.675 1.642 0.539 0.791 1.000 0.714 CB 1.038 15 residues pruned to eliminate duplicates Z: 20 13.222 1.603 0.527 0.749 0.947 0.579 CB 1.048 20 residues pruned to eliminate duplicates Z: 14 12.473 1.684 0.289 0.881 1.000 0.538 CB 1.154 14 residues pruned to eliminate duplicates Z: 21 10.857 1.557 0.347 0.653 0.950 0.800 CB 1.057 21 residues pruned to eliminate duplicates Z: 54 26.389 1.973 0.593 0.469 0.906 0.547 CB 1.313 86 residues pruned to eliminate duplicates Z: 26 20.310 1.896 0.637 0.583 1.000 0.640 CB 1.209 Z: 6 3.161 1.141 0.513 0.375 1.000 0.800 CA 0.936 6 residues pruned to eliminate duplicates Z: 27 17.741 1.804 0.559 0.564 0.962 0.615 CA 1.208 27 residues pruned to eliminate duplicates Z: 31 18.088 1.879 0.593 0.457 0.967 0.500 CB 1.192 26 residues pruned to eliminate duplicates Z: 6 4.851 1.458 0.154 0.615 1.000 0.800 CA 1.157 6 residues pruned to eliminate duplicates Z: 24 15.003 1.857 0.601 0.470 0.870 0.435 CB 1.248 55 residues pruned to eliminate duplicates Z: 27 18.889 1.863 0.675 0.560 0.962 0.654 CB 1.166 Z: 6 4.328 1.478 0.799 0.391 1.000 0.400 CA 0.817 6 residues pruned to eliminate duplicates Z: 26 21.945 1.893 0.853 0.585 0.960 0.720 CB 1.201 26 residues pruned to eliminate duplicates Z: 6 5.350 1.627 0.773 0.438 1.000 1.000 CA 0.884 6 residues pruned to eliminate duplicates Z: 34 17.615 1.844 0.516 0.546 0.970 0.636 CB 1.081 27 residues pruned to eliminate duplicates Z: 12 31.853 2.300 0.898 0.937 1.000 0.636 CA 1.531 12 residues pruned to eliminate duplicates Z: 14 25.694 2.214 0.983 0.841 0.846 0.615 CB 1.431 14 residues pruned to eliminate duplicates Z: 51 31.210 2.079 0.667 0.609 0.880 0.520 CB 1.306 51 residues pruned to eliminate duplicates Z: 70 35.073 2.073 0.568 0.519 0.870 0.522 CB 1.466 70 residues pruned to eliminate duplicates Z: 68 36.250 2.076 0.668 0.547 0.910 0.522 CB 1.342 68 residues pruned to eliminate duplicates Z: 40 34.890 2.131 0.691 0.694 0.923 0.590 CB 1.407 40 residues pruned to eliminate duplicates Z: 48 28.380 2.062 0.633 0.554 0.830 0.511 CB 1.405 48 residues pruned to eliminate duplicates Z: 54 36.158 2.075 0.757 0.523 0.887 0.547 CB 1.501 50 residues pruned to eliminate duplicates Z: 12 41.134 2.319 1.314 0.942 1.000 0.364 CA 1.603 12 residues pruned to eliminate duplicates Z: 13 29.725 2.239 1.111 0.862 0.917 0.417 CB 1.454 13 residues pruned to eliminate duplicates Z: 31 27.797 2.032 0.834 0.599 0.900 0.600 CA 1.376 44 residues pruned to eliminate duplicates Z: 28 19.914 1.938 0.743 0.502 0.889 0.593 CB 1.274 Z: 16 24.433 2.183 0.624 0.926 0.933 0.867 CA 1.337 16 residues pruned to eliminate duplicates Z: 47 37.995 2.130 0.959 0.665 0.891 0.630 CB 1.293 75 residues pruned to eliminate duplicates Z: 39 42.987 2.212 1.020 0.699 0.921 0.605 CB 1.413 39 residues pruned to eliminate duplicates Z: 30 30.470 2.143 0.840 0.620 0.931 0.655 CA 1.375 30 residues pruned to eliminate duplicates Z: 43 41.117 2.174 0.895 0.670 0.929 0.571 CB 1.418 43 residues pruned to eliminate duplicates Z: 42 35.932 2.135 0.915 0.677 0.878 0.537 CB 1.328 42 residues pruned to eliminate duplicates Z: 30 27.344 2.072 0.835 0.624 0.897 0.586 CB 1.326 30 residues pruned to eliminate duplicates Z: 26 28.186 2.182 0.853 0.578 0.920 0.560 CB 1.406 26 residues pruned to eliminate duplicates Z: 41 23.916 2.067 0.854 0.620 0.750 0.475 CB 1.174 41 residues pruned to eliminate duplicates Z: 30 21.978 2.062 0.622 0.525 0.862 0.552 CA 1.381 30 residues pruned to eliminate duplicates Z: 29 33.213 2.116 0.809 0.650 1.000 0.643 CB 1.426 29 residues pruned to eliminate duplicates Z: 21 12.763 1.584 0.618 0.678 0.850 0.550 CB 1.112 24 residues pruned to eliminate duplicates Z: 8 5.439 1.333 0.559 0.563 1.000 0.714 CA 0.931 4 residues pruned to eliminate duplicates Z: 16 16.800 1.750 0.583 0.909 1.000 0.533 CB 1.112 16 residues pruned to eliminate duplicates Z: 16 14.561 1.806 0.442 0.932 0.933 0.733 CB 1.080 16 residues pruned to eliminate duplicates Z: 18 15.915 1.680 0.529 0.862 0.941 0.647 CB 1.172 18 residues pruned to eliminate duplicates Z: 17 15.594 1.671 0.494 0.898 1.000 0.688 CB 1.117 17 residues pruned to eliminate duplicates Z: 16 18.199 1.805 0.696 0.879 0.933 0.667 CB 1.193 16 residues pruned to eliminate duplicates Z: 29 21.148 1.800 0.625 0.712 0.929 0.679 CB 1.215 28 residues pruned to eliminate duplicates Z: 17 16.836 1.742 0.623 0.933 1.000 0.750 CB 1.039 17 residues pruned to eliminate duplicates Z: 17 17.056 1.740 0.634 0.860 0.938 0.500 CB 1.176 17 residues pruned to eliminate duplicates Z: 18 13.411 1.686 0.500 0.810 0.882 0.647 CA 1.113 18 residues pruned to eliminate duplicates Z: 30 18.841 1.711 0.552 0.743 0.931 0.759 CB 1.138 30 residues pruned to eliminate duplicates Z: 18 14.510 1.691 0.447 0.804 1.000 0.647 CA 1.102 18 residues pruned to eliminate duplicates Z: 28 19.662 1.780 0.603 0.741 0.926 0.704 CB 1.155 28 residues pruned to eliminate duplicates Z: 28 22.999 1.794 0.643 0.753 0.963 0.852 CB 1.245 29 residues pruned to eliminate duplicates Z: 15 15.569 1.748 0.497 0.918 1.000 0.714 CB 1.122 15 residues pruned to eliminate duplicates Z: 27 21.848 1.847 0.598 0.753 1.000 0.769 CB 1.158 28 residues pruned to eliminate duplicates Z: 17 13.578 1.741 0.420 0.864 1.000 0.750 CB 1.007 17 residues pruned to eliminate duplicates Z: 29 20.794 1.763 0.498 0.738 0.964 0.714 CB 1.246 29 residues pruned to eliminate duplicates Z: 30 19.536 1.742 0.571 0.740 0.966 0.724 CB 1.108 30 residues pruned to eliminate duplicates Z: 31 18.331 1.693 0.500 0.711 0.967 0.533 CB 1.126 31 residues pruned to eliminate duplicates Z: 29 18.828 1.772 0.594 0.697 0.929 0.714 CB 1.134 29 residues pruned to eliminate duplicates Z: 13 9.538 1.722 0.539 0.566 0.917 0.583 CA 1.063 13 residues pruned to eliminate duplicates Z: 11 10.466 1.792 0.589 0.596 0.900 0.600 CA 1.178 11 residues pruned to eliminate duplicates Z: 28 19.998 1.817 0.566 0.726 0.963 0.741 CB 1.146 28 residues pruned to eliminate duplicates Z: 11 15.026 1.856 0.892 0.630 0.900 0.800 CA 1.331 11 residues pruned to eliminate duplicates Z: 12 10.786 1.776 0.507 0.544 0.909 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 32 15.086 1.895 0.477 0.562 0.871 0.581 CB 1.047 94 residues pruned to eliminate duplicates Z: 14 11.608 2.062 0.189 0.881 1.000 0.769 CB 0.951 14 residues pruned to eliminate duplicates Z: 9 7.668 1.898 0.025 0.733 1.000 0.750 CB 1.129 9 residues pruned to eliminate duplicates Z: 20 6.224 1.831 0.311 0.439 0.895 0.368 CB 0.708 20 residues pruned to eliminate duplicates Z: 28 13.231 1.835 0.376 0.596 0.926 0.556 CB 0.994 28 residues pruned to eliminate duplicates Z: 14 6.482 1.977 0.169 0.561 0.846 0.692 CB 0.867 14 residues pruned to eliminate duplicates Z: 21 14.277 2.063 0.538 0.611 0.900 0.800 CB 1.006 21 residues pruned to eliminate duplicates Z: 18 12.138 2.039 0.521 0.542 0.941 0.588 CB 0.968 18 residues pruned to eliminate duplicates Z: 15 18.184 2.038 1.174 0.893 1.000 0.500 CB 0.787 15 residues pruned to eliminate duplicates Z: 16 20.638 2.000 1.384 0.880 0.933 0.400 CB 0.868 16 residues pruned to eliminate duplicates Z: 16 21.618 1.989 1.385 0.865 0.933 0.333 CB 0.924 16 residues pruned to eliminate duplicates Z: 53 43.123 2.014 0.765 0.734 0.942 0.558 CB 1.447 53 residues pruned to eliminate duplicates Z: 52 36.736 2.005 0.627 0.731 0.902 0.608 CB 1.420 52 residues pruned to eliminate duplicates Z: 41 34.995 2.035 0.830 0.700 0.900 0.450 CB 1.376 41 residues pruned to eliminate duplicates Z: 36 36.322 2.056 0.876 0.775 0.886 0.457 CB 1.409 36 residues pruned to eliminate duplicates Z: 53 41.424 2.021 0.730 0.722 0.942 0.519 CB 1.427 53 residues pruned to eliminate duplicates Z: 53 39.332 1.979 0.715 0.699 0.962 0.558 CB 1.394 53 residues pruned to eliminate duplicates Z: 24 25.143 2.042 0.467 0.731 0.957 0.652 CA 1.486 24 residues pruned to eliminate duplicates Z: 51 24.350 1.918 0.729 0.555 0.840 0.560 CB 1.172 51 residues pruned to eliminate duplicates Z: 40 33.595 2.015 0.576 0.717 0.949 0.744 CA 1.467 40 residues pruned to eliminate duplicates Z: 37 36.729 2.041 0.766 0.756 0.972 0.500 CB 1.391 37 residues pruned to eliminate duplicates Z: 41 33.082 2.000 0.631 0.705 0.950 0.600 CA 1.400 41 residues pruned to eliminate duplicates Z: 25 25.764 1.943 0.750 0.710 0.917 0.458 CA 1.394 25 residues pruned to eliminate duplicates Z: 41 35.781 1.976 0.680 0.714 0.975 0.525 CA 1.440 41 residues pruned to eliminate duplicates Z: 19 30.949 2.047 0.987 0.903 0.944 0.556 CA 1.354 19 residues pruned to eliminate duplicates Z: 22 32.776 2.110 0.776 0.778 0.952 0.667 CA 1.569 22 residues pruned to eliminate duplicates Z: 51 35.475 2.026 0.709 0.671 0.920 0.560 CB 1.345 51 residues pruned to eliminate duplicates Z: 18 28.155 2.091 0.774 0.903 1.000 0.882 CA 1.312 18 residues pruned to eliminate duplicates Z: 44 34.112 1.997 0.675 0.662 0.930 0.605 CA 1.439 44 residues pruned to eliminate duplicates Z: 20 27.179 2.000 0.790 0.890 0.947 0.579 CA 1.323 20 residues pruned to eliminate duplicates Z: 43 29.879 1.965 0.629 0.665 0.905 0.571 CA 1.367 43 residues pruned to eliminate duplicates Z: 39 38.144 2.067 0.717 0.727 0.974 0.658 CA 1.459 39 residues pruned to eliminate duplicates Z: 22 34.573 2.119 0.865 0.825 0.952 0.667 CA 1.513 22 residues pruned to eliminate duplicates Z: 25 29.054 2.001 0.739 0.722 0.917 0.625 CA 1.521 25 residues pruned to eliminate duplicates Z: 22 38.920 2.091 0.978 0.837 1.000 0.714 CA 1.536 22 residues pruned to eliminate duplicates Z: 51 41.705 2.031 0.730 0.743 0.960 0.600 CB 1.406 51 residues pruned to eliminate duplicates Z: 36 39.005 2.080 0.915 0.768 0.943 0.514 CB 1.385 36 residues pruned to eliminate duplicates Z: 52 38.101 2.015 0.801 0.732 0.882 0.608 CB 1.352 52 residues pruned to eliminate duplicates Z: 39 33.164 2.033 0.598 0.722 0.947 0.763 CA 1.430 39 residues pruned to eliminate duplicates Z: 38 32.813 2.037 0.716 0.661 0.946 0.595 CA 1.405 38 residues pruned to eliminate duplicates Z: 38 28.127 2.035 0.458 0.712 0.946 0.703 CA 1.360 38 residues pruned to eliminate duplicates Z: 42 31.475 1.969 0.619 0.683 0.951 0.707 CA 1.370 42 residues pruned to eliminate duplicates Z: 52 43.165 2.031 0.811 0.734 0.922 0.549 CB 1.445 52 residues pruned to eliminate duplicates Z: 15 14.193 1.930 0.484 0.710 0.929 0.786 CA 1.179 15 residues pruned to eliminate duplicates Z: 18 14.223 1.893 0.382 0.643 0.941 0.706 CA 1.227 18 residues pruned to eliminate duplicates Z: 14 14.957 1.953 0.672 0.718 0.846 0.692 CA 1.233 14 residues pruned to eliminate duplicates Z: 14 20.885 2.017 0.756 0.754 1.000 0.846 CA 1.304 14 residues pruned to eliminate duplicates Z: 15 16.876 1.933 0.656 0.738 0.929 0.786 CA 1.225 15 residues pruned to eliminate duplicates Z: 14 22.625 2.035 0.669 0.781 1.000 0.692 CA 1.442 14 residues pruned to eliminate duplicates Z: 12 21.488 1.912 1.093 0.875 0.909 0.636 CA 1.296 12 residues pruned to eliminate duplicates Z: 49 38.847 1.932 0.919 0.685 0.938 0.625 CB 1.361 49 residues pruned to eliminate duplicates Z: 14 22.049 1.912 0.909 0.771 0.923 0.538 CA 1.427 14 residues pruned to eliminate duplicates Z: 7 2.161 1.566 -0.204 0.309 1.000 0.333 CB 0.875 Z: 6 3.552 1.483 1.134 0.236 1.000 0.400 CA 0.682 Z: 6 3.913 1.788 0.219 0.368 0.800 0.600 N 1.156 6 residues pruned to eliminate duplicates Z: 50 20.433 1.924 0.494 0.402 0.878 0.490 CB 1.283 50 residues pruned to eliminate duplicates Z: 46 19.780 1.988 0.522 0.350 0.844 0.556 CB 1.358 46 residues pruned to eliminate duplicates Z: 42 16.488 2.012 0.427 0.379 0.780 0.415 CB 1.307 42 residues pruned to eliminate duplicates Z: 49 18.545 1.952 0.628 0.324 0.812 0.542 CB 1.259 49 residues pruned to eliminate duplicates Z: 52 19.577 1.902 0.516 0.414 0.824 0.667 CB 1.262 52 residues pruned to eliminate duplicates Z: 38 23.499 2.006 0.594 0.454 0.892 0.595 CB 1.420 38 residues pruned to eliminate duplicates Z: 36 22.496 1.946 0.606 0.431 0.914 0.514 CB 1.429 36 residues pruned to eliminate duplicates Z: 42 21.601 2.017 0.450 0.455 0.878 0.561 CB 1.375 42 residues pruned to eliminate duplicates Z: 42 22.175 2.020 0.540 0.444 0.878 0.585 CB 1.343 42 residues pruned to eliminate duplicates Z: 39 17.939 2.006 0.507 0.417 0.868 0.447 CB 1.209 39 residues pruned to eliminate duplicates Z: 37 18.830 1.990 0.531 0.436 0.889 0.528 CB 1.238 37 residues pruned to eliminate duplicates Z: 32 14.738 1.929 0.502 0.381 0.774 0.516 CB 1.339 32 residues pruned to eliminate duplicates Z: 41 18.369 2.013 0.414 0.402 0.850 0.475 CB 1.331 41 residues pruned to eliminate duplicates Z: 48 20.213 1.916 0.470 0.398 0.872 0.532 CB 1.337 48 residues pruned to eliminate duplicates Z: 37 20.920 2.012 0.564 0.438 0.861 0.611 CB 1.371 37 residues pruned to eliminate duplicates Z: 38 19.506 2.014 0.462 0.416 0.892 0.541 CB 1.333 38 residues pruned to eliminate duplicates Z: 27 12.468 1.844 0.493 0.280 0.923 0.538 CB 1.233 Z: 7 7.031 1.799 0.422 0.484 0.833 0.500 CB 1.368 7 residues pruned to eliminate duplicates Z: 21 15.528 2.004 0.393 0.461 0.900 0.400 CB 1.437 15 residues pruned to eliminate duplicates Z: 8 4.465 1.591 0.114 0.676 0.714 0.429 CB 1.133 8 residues pruned to eliminate duplicates Z: 20 10.765 1.922 0.451 0.323 0.842 0.421 CA 1.279 20 residues pruned to eliminate duplicates Z: 37 14.689 1.835 0.353 0.328 0.861 0.389 CB 1.382 28 residues pruned to eliminate duplicates Z: 13 11.919 1.699 0.649 0.536 0.917 0.417 CA 1.294 13 residues pruned to eliminate duplicates Z: 36 20.026 2.047 0.425 0.450 0.857 0.629 CB 1.425 87 residues pruned to eliminate duplicates Z: 7 4.324 1.491 0.248 0.452 1.000 0.667 CA 0.996 Z: 13 6.730 1.663 0.227 0.505 0.833 0.500 CB 1.138 7 residues pruned to eliminate duplicates Z: 6 3.082 1.612 0.443 0.414 0.800 0.200 CB 0.810 6 residues pruned to eliminate duplicates Z: 6 3.411 1.612 0.258 0.550 0.800 0.400 CA 0.896 6 residues pruned to eliminate duplicates Z: 28 14.213 1.871 0.509 0.308 0.889 0.519 CB 1.349 13 residues pruned to eliminate duplicates Z: 6 5.153 1.716 0.236 0.424 1.000 0.600 CB 1.176 6 residues pruned to eliminate duplicates Z: 18 9.908 1.735 0.547 0.340 0.941 0.471 CB 1.133 17 residues pruned to eliminate duplicates Z: 6 8.063 1.558 0.472 0.837 1.000 0.600 CB 1.176 Z: 7 5.145 1.414 0.390 0.687 0.833 0.667 CA 1.080 7 residues pruned to eliminate duplicates Z: 7 3.251 1.615 0.211 0.442 0.833 0.167 CB 0.865 7 residues pruned to eliminate duplicates Z: 14 5.051 1.402 0.192 0.387 0.923 0.308 CB 1.024 12 residues pruned to eliminate duplicates Z: 21 12.149 1.598 0.153 0.750 1.000 0.800 CB 1.180 8 residues pruned to eliminate duplicates Z: 12 6.318 1.462 0.325 0.652 1.000 0.636 CB 0.854 12 residues pruned to eliminate duplicates Z: 14 13.420 1.666 0.952 0.919 0.923 0.769 CB 0.874 14 residues pruned to eliminate duplicates Z: 15 11.891 1.628 0.664 0.899 1.000 0.714 CB 0.839 15 residues pruned to eliminate duplicates Z: 14 12.037 1.733 0.799 0.820 0.923 0.538 CB 0.879 14 residues pruned to eliminate duplicates Z: 14 13.078 1.736 0.820 0.805 0.923 0.692 CB 0.953 14 residues pruned to eliminate duplicates Z: 13 14.389 1.739 0.996 0.909 0.917 0.667 CB 0.926 14 residues pruned to eliminate duplicates Z: 14 13.749 1.675 0.876 0.917 1.000 0.769 CB 0.856 14 residues pruned to eliminate duplicates Z: 16 13.731 1.655 0.646 0.900 1.000 0.867 CB 0.930 16 residues pruned to eliminate duplicates Z: 15 11.330 1.653 0.668 0.899 0.929 0.929 CB 0.845 15 residues pruned to eliminate duplicates Z: 13 12.136 1.758 0.934 0.918 0.917 0.667 CB 0.793 13 residues pruned to eliminate duplicates Z: 13 11.568 1.744 1.011 0.904 1.000 0.333 CB 0.679 13 residues pruned to eliminate duplicates Z: 15 13.239 1.666 0.729 0.931 1.000 0.571 CB 0.858 15 residues pruned to eliminate duplicates Z: 28 16.614 1.619 1.009 0.713 0.963 0.815 CB 0.842 28 residues pruned to eliminate duplicates 6 1.946 1.407 0.494 0.217 0.800 0.400 CB 0.722 ? Z: 6 3.010 1.472 0.625 0.375 0.800 0.400 CB 0.804 6 residues pruned to eliminate duplicates Z: 13 8.667 1.849 0.654 0.334 0.750 0.500 CB 1.309 13 residues pruned to eliminate duplicates Z: 24 9.007 1.893 0.295 0.294 0.783 0.391 CB 1.233 24 residues pruned to eliminate duplicates Z: 15 7.554 1.708 0.439 0.307 0.857 0.571 CB 1.188 15 residues pruned to eliminate duplicates Z: 23 12.947 1.946 0.482 0.314 0.818 0.545 CB 1.437 23 residues pruned to eliminate duplicates Z: 19 14.019 1.984 0.561 0.458 0.833 0.778 CB 1.337 19 residues pruned to eliminate duplicates Z: 20 11.862 1.957 0.463 0.303 0.789 0.632 CA 1.499 20 residues pruned to eliminate duplicates Z: 25 20.094 2.012 0.727 0.430 0.875 0.542 CA 1.451 25 residues pruned to eliminate duplicates Z: 27 22.469 2.011 0.597 0.491 0.923 0.577 CB 1.499 27 residues pruned to eliminate duplicates Z: 21 20.381 2.009 0.679 0.454 0.900 0.400 CA 1.574 21 residues pruned to eliminate duplicates Z: 28 22.451 2.071 0.671 0.446 0.889 0.556 CB 1.485 28 residues pruned to eliminate duplicates Z: 29 18.747 1.975 0.496 0.424 0.929 0.571 CB 1.398 29 residues pruned to eliminate duplicates Z: 29 22.071 2.032 0.733 0.412 0.893 0.571 CB 1.454 29 residues pruned to eliminate duplicates Z: 24 20.726 2.106 0.589 0.464 0.870 0.522 CB 1.541 24 residues pruned to eliminate duplicates Z: 23 24.154 2.109 0.830 0.431 0.955 0.636 CA 1.502 23 residues pruned to eliminate duplicates Z: 51 27.604 2.043 0.650 0.475 0.820 0.440 CB 1.448 51 residues pruned to eliminate duplicates Z: 82 40.618 2.069 0.659 0.550 0.938 0.630 CB 1.335 73 residues pruned to eliminate duplicates 6 1.050 1.312 0.651 0.147 0.600 0.200 CA 0.558 ? Z: 6 3.668 2.029 1.170 0.260 0.600 0.200 CA 0.817 6 residues pruned to eliminate duplicates Z: 23 24.179 2.068 0.926 0.465 0.864 0.636 CA 1.554 23 residues pruned to eliminate duplicates Z: 28 24.278 2.139 0.736 0.448 0.852 0.630 CB 1.559 28 residues pruned to eliminate duplicates Z: 39 29.309 2.073 0.650 0.450 0.947 0.605 CB 1.544 39 residues pruned to eliminate duplicates Z: 35 21.906 1.993 0.476 0.427 0.941 0.559 CB 1.464 35 residues pruned to eliminate duplicates Z: 48 23.064 2.010 0.496 0.396 0.872 0.489 CB 1.431 48 residues pruned to eliminate duplicates Z: 16 6.379 1.838 0.215 0.352 0.800 0.600 CB 1.082 16 residues pruned to eliminate duplicates Z: 8 5.285 1.987 0.059 0.382 0.857 0.429 CB 1.255 8 residues pruned to eliminate duplicates Z: 38 19.828 1.915 0.614 0.538 0.892 0.486 CB 1.139 38 residues pruned to eliminate duplicates Z: 37 21.755 1.999 0.587 0.582 0.861 0.556 CB 1.226 37 residues pruned to eliminate duplicates Z: 28 19.951 1.943 0.629 0.551 0.963 0.481 CB 1.199 28 residues pruned to eliminate duplicates Z: 57 35.754 2.041 0.831 0.579 0.893 0.518 CB 1.327 58 residues pruned to eliminate duplicates Z: 15 25.421 2.230 0.958 0.783 0.929 0.929 CB 1.306 15 residues pruned to eliminate duplicates Z: 49 24.609 1.994 0.585 0.556 0.833 0.625 CB 1.278 49 residues pruned to eliminate duplicates Z: 13 7.552 1.709 0.461 0.435 0.750 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 18 11.243 1.861 0.783 0.423 0.882 0.471 CB 1.009 18 residues pruned to eliminate duplicates Z: 10 7.980 1.843 0.631 0.490 0.889 0.667 CB 1.006 10 residues pruned to eliminate duplicates Z: 13 10.828 1.811 0.646 0.430 1.000 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 20 14.016 1.921 0.717 0.585 0.895 0.579 CB 1.004 20 residues pruned to eliminate duplicates Z: 33 19.634 1.942 0.607 0.573 0.875 0.500 CB 1.185 33 residues pruned to eliminate duplicates Z: 10 10.237 1.820 0.437 0.540 1.000 0.667 CA 1.255 10 residues pruned to eliminate duplicates Z: 10 7.268 1.603 0.716 0.389 0.778 0.222 CB 1.273 10 residues pruned to eliminate duplicates Z: 47 24.801 2.004 0.516 0.535 0.870 0.478 CB 1.338 47 residues pruned to eliminate duplicates Z: 31 26.948 2.075 0.645 0.611 0.933 0.467 CB 1.390 31 residues pruned to eliminate duplicates Z: 48 30.121 2.033 0.672 0.594 0.894 0.532 CB 1.323 48 residues pruned to eliminate duplicates Z: 25 27.899 2.068 0.965 0.568 0.875 0.333 CB 1.499 25 residues pruned to eliminate duplicates Z: 37 23.997 2.019 0.490 0.584 0.944 0.667 CB 1.298 37 residues pruned to eliminate duplicates Z: 47 33.077 2.042 0.750 0.642 0.891 0.543 CB 1.342 47 residues pruned to eliminate duplicates Z: 27 18.277 1.979 0.485 0.570 0.923 0.538 CB 1.235 27 residues pruned to eliminate duplicates Z: 76 35.933 2.029 0.662 0.554 0.853 0.613 CB 1.369 76 residues pruned to eliminate duplicates Z: 37 21.374 2.014 0.522 0.585 0.917 0.611 CB 1.169 37 residues pruned to eliminate duplicates Z: 45 27.111 2.078 0.584 0.623 0.818 0.614 CB 1.352 45 residues pruned to eliminate duplicates Z: 34 20.256 2.037 0.359 0.535 0.909 0.667 CB 1.353 34 residues pruned to eliminate duplicates Z: 47 29.146 2.029 0.532 0.590 0.935 0.543 CB 1.357 47 residues pruned to eliminate duplicates Z: 27 21.590 2.026 0.378 0.655 0.962 0.731 CA 1.366 27 residues pruned to eliminate duplicates Z: 37 18.923 2.010 0.359 0.563 0.861 0.583 CB 1.262 37 residues pruned to eliminate duplicates Z: 43 28.080 2.065 0.537 0.579 0.929 0.571 CB 1.363 43 residues pruned to eliminate duplicates 544 residues left after pruning, divided into chains as follows: A: 61 B: 9 C: 178 D: 11 E: 23 F: 28 G: 7 H: 24 I: 21 J: 27 K: 57 L: 98 CC for partial structure against native data = 39.05 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.428, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.495, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.591, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.593, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.602, Connect. = 0.759 for dens.mod. cycle 6 = 0.300, Contrast = 0.607, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.609, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.612, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.613, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4073 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 767 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 20.281 2.080 0.595 0.464 0.926 0.593 CA 1.318 B: 13 28.149 2.163 1.096 0.831 1.000 0.500 CB 1.347 C: 19 37.135 2.249 0.856 0.903 0.889 0.556 CA 1.681 D: 12 13.603 2.158 0.594 0.344 0.909 0.818 CB 1.554 E: 21 22.623 1.905 0.671 0.881 0.950 0.800 CB 1.211 F: 12 23.302 2.231 0.645 0.908 1.000 0.818 CA 1.360 G: 33 15.504 1.934 0.333 0.400 0.781 0.531 CB 1.511 12 residues pruned to eliminate duplicates H: 39 13.213 1.764 0.397 0.366 0.842 0.500 CB 1.193 20 residues pruned to eliminate duplicates I: 20 38.348 2.216 0.740 0.927 1.000 0.737 CA 1.599 19 residues pruned to eliminate duplicates J: 12 13.081 1.947 0.640 0.401 0.909 0.364 CB 1.507 12 residues pruned to eliminate duplicates K: 19 38.329 2.216 0.987 0.853 0.944 0.667 CA 1.607 19 residues pruned to eliminate duplicates L: 20 18.549 2.041 0.484 0.827 0.737 0.211 CB 1.436 20 residues pruned to eliminate duplicates M: 11 18.234 2.183 0.549 0.527 1.000 0.700 CB 1.660 12 residues pruned to eliminate duplicates N: 13 10.045 1.854 0.416 0.402 0.917 0.333 CB 1.335 11 residues pruned to eliminate duplicates O: 27 10.424 1.886 0.309 0.290 0.769 0.500 CB 1.364 27 residues pruned to eliminate duplicates P: 12 29.003 2.251 0.871 0.923 1.000 0.909 CA 1.460 12 residues pruned to eliminate duplicates Q: 13 22.523 2.250 0.423 0.892 1.000 0.917 CB 1.459 13 residues pruned to eliminate duplicates R: 8 8.195 2.022 1.031 0.349 0.571 0.429 CB 1.554 S: 13 20.195 2.200 0.382 0.897 1.000 0.833 CA 1.373 13 residues pruned to eliminate duplicates T: 11 21.520 2.369 0.591 0.905 1.000 1.000 CA 1.286 U: 19 35.898 2.293 0.789 0.883 0.944 0.667 CA 1.579 19 residues pruned to eliminate duplicates V: 19 30.866 2.034 0.736 0.928 1.000 0.722 CA 1.443 W: 18 15.008 1.978 0.510 0.871 0.941 0.824 CB 0.944 X: 21 16.315 2.022 0.491 0.450 0.950 0.600 CB 1.342 21 residues pruned to eliminate duplicates Y: 13 28.888 2.257 0.801 0.890 1.000 0.583 CB 1.475 12 residues pruned to eliminate duplicates Z: 15 17.790 2.050 0.871 0.907 0.929 0.929 CB 0.949 15 residues pruned to eliminate duplicates Z: 19 33.211 2.231 0.563 0.933 1.000 0.889 CA 1.565 19 residues pruned to eliminate duplicates Z: 20 25.607 2.193 0.485 0.849 0.842 0.579 CA 1.588 20 residues pruned to eliminate duplicates Z: 15 8.236 1.985 0.075 0.809 0.929 0.786 CB 0.848 15 residues pruned to eliminate duplicates Z: 12 37.706 2.262 1.314 0.939 1.000 0.818 CA 1.510 12 residues pruned to eliminate duplicates Z: 14 15.739 1.976 0.551 0.514 0.923 0.769 CA 1.522 14 residues pruned to eliminate duplicates Z: 24 13.212 1.919 0.375 0.474 0.783 0.565 CB 1.370 24 residues pruned to eliminate duplicates Z: 21 35.278 2.119 0.825 0.921 0.950 0.650 CA 1.510 21 residues pruned to eliminate duplicates Z: 51 22.725 1.821 0.496 0.553 0.880 0.560 CB 1.273 Z: 7 7.379 1.815 0.262 0.692 1.000 0.833 CB 1.103 Z: 21 32.960 2.095 0.905 0.847 0.900 0.600 CA 1.523 21 residues pruned to eliminate duplicates Z: 12 37.480 2.273 1.390 0.939 1.000 0.364 CA 1.446 11 residues pruned to eliminate duplicates Z: 12 19.310 1.932 0.852 0.846 0.909 0.727 CA 1.330 Z: 13 4.956 1.724 0.592 0.278 0.667 0.333 CA 1.005 Z: 16 36.645 2.163 1.131 0.947 1.000 0.800 CB 1.419 17 residues pruned to eliminate duplicates Z: 13 17.859 2.038 0.839 0.917 0.917 0.750 CB 1.059 Z: 13 19.113 1.786 0.766 0.901 1.000 0.833 CA 1.248 12 residues pruned to eliminate duplicates Z: 12 23.202 1.958 0.909 0.910 1.000 0.636 CA 1.328 12 residues pruned to eliminate duplicates Z: 30 11.468 1.920 0.206 0.408 0.759 0.552 CB 1.334 30 residues pruned to eliminate duplicates Z: 19 21.909 2.020 0.471 0.858 0.944 0.722 CB 1.355 19 residues pruned to eliminate duplicates Z: 16 20.957 2.178 0.165 0.949 1.000 1.000 CA 1.471 16 residues pruned to eliminate duplicates Z: 14 24.181 2.166 0.937 0.931 1.000 0.846 CA 1.117 13 residues pruned to eliminate duplicates Z: 11 28.983 2.444 0.886 0.921 0.900 0.700 CB 1.554 11 residues pruned to eliminate duplicates Z: 19 36.221 2.199 0.855 0.933 0.944 0.556 CB 1.547 20 residues pruned to eliminate duplicates Z: 12 29.670 2.260 0.887 0.925 0.909 0.727 CB 1.620 11 residues pruned to eliminate duplicates Z: 10 19.476 2.037 0.647 0.894 1.000 1.000 CA 1.388 10 residues pruned to eliminate duplicates Z: 40 18.709 1.949 0.433 0.478 0.872 0.564 CB 1.258 15 residues pruned to eliminate duplicates Z: 12 18.247 2.055 0.767 0.913 1.000 0.545 CB 1.072 13 residues pruned to eliminate duplicates Z: 12 34.797 2.250 1.109 0.934 1.000 0.636 CA 1.541 13 residues pruned to eliminate duplicates Z: 9 11.521 1.936 0.605 0.752 0.875 0.750 CA 1.196 Z: 14 23.667 2.098 0.620 0.891 1.000 0.769 CA 1.389 14 residues pruned to eliminate duplicates Z: 19 31.573 2.253 0.568 0.928 1.000 0.944 CA 1.475 19 residues pruned to eliminate duplicates Z: 61 48.680 2.161 0.838 0.680 0.917 0.467 CB 1.463 54 residues pruned to eliminate duplicates Z: 19 33.059 2.019 0.710 0.911 1.000 0.778 CB 1.600 19 residues pruned to eliminate duplicates Z: 20 27.006 2.211 0.492 0.878 0.947 0.842 CA 1.439 20 residues pruned to eliminate duplicates Z: 40 18.018 1.747 0.372 0.542 0.923 0.615 CB 1.251 36 residues pruned to eliminate duplicates Z: 19 28.509 2.282 0.606 0.911 0.778 0.444 CB 1.671 19 residues pruned to eliminate duplicates Z: 8 15.734 2.007 0.895 0.660 0.857 0.571 CA 1.572 8 residues pruned to eliminate duplicates Z: 13 26.550 2.190 0.749 0.932 1.000 0.750 CA 1.397 12 residues pruned to eliminate duplicates Z: 18 30.056 2.020 0.807 0.921 1.000 0.824 CA 1.406 18 residues pruned to eliminate duplicates Z: 14 26.412 2.115 0.721 0.906 1.000 0.769 CB 1.431 14 residues pruned to eliminate duplicates Z: 6 9.323 1.773 0.664 0.790 0.800 0.600 CA 1.370 6 residues pruned to eliminate duplicates Z: 21 9.799 1.884 0.425 0.398 0.700 0.450 CB 1.299 21 residues pruned to eliminate duplicates Z: 13 21.629 2.149 0.628 0.931 1.000 0.833 CA 1.247 13 residues pruned to eliminate duplicates Z: 10 7.996 1.776 0.471 0.622 0.667 0.667 CA 1.363 Z: 19 33.330 2.274 0.625 0.887 1.000 0.833 CA 1.533 19 residues pruned to eliminate duplicates Z: 13 26.863 2.207 1.079 0.896 1.000 0.667 CA 1.211 14 residues pruned to eliminate duplicates Z: 11 12.967 1.884 0.280 0.855 1.000 0.600 CA 1.255 Z: 24 13.465 2.106 0.438 0.481 0.826 0.478 CB 1.145 13 residues pruned to eliminate duplicates Z: 40 18.997 1.885 0.484 0.467 0.923 0.667 CB 1.217 41 residues pruned to eliminate duplicates Z: 12 33.127 2.382 0.837 0.938 1.000 0.636 CA 1.587 12 residues pruned to eliminate duplicates Z: 15 32.237 2.141 1.000 0.917 1.000 0.714 CA 1.420 15 residues pruned to eliminate duplicates Z: 13 23.533 2.268 0.464 0.920 1.000 0.917 CB 1.441 13 residues pruned to eliminate duplicates Z: 19 35.272 2.024 0.901 0.907 1.000 0.667 CA 1.535 19 residues pruned to eliminate duplicates Z: 13 20.302 2.249 0.703 0.924 0.917 0.917 CA 1.172 13 residues pruned to eliminate duplicates Z: 18 26.133 1.973 0.924 0.873 1.000 0.529 CB 1.216 18 residues pruned to eliminate duplicates Z: 18 10.885 1.734 0.369 0.460 0.882 0.647 CB 1.313 18 residues pruned to eliminate duplicates Z: 37 20.359 1.988 0.413 0.460 0.889 0.611 CB 1.415 38 residues pruned to eliminate duplicates Z: 49 34.754 2.095 0.689 0.539 0.896 0.500 CB 1.522 49 residues pruned to eliminate duplicates Z: 15 34.092 2.200 1.147 0.941 1.000 0.643 CB 1.338 15 residues pruned to eliminate duplicates Z: 18 18.986 2.020 0.525 0.621 0.941 0.706 CA 1.417 21 residues pruned to eliminate duplicates Z: 38 20.773 1.988 0.427 0.399 0.919 0.459 CB 1.458 38 residues pruned to eliminate duplicates Z: 20 31.996 1.994 0.888 0.917 1.000 0.684 CB 1.376 20 residues pruned to eliminate duplicates Z: 6 10.908 1.848 0.776 0.744 1.000 1.000 CA 1.195 6 residues pruned to eliminate duplicates Z: 12 17.532 1.941 0.640 0.896 1.000 0.727 CA 1.190 11 residues pruned to eliminate duplicates Z: 14 13.661 1.795 0.663 0.518 0.923 0.692 CB 1.350 Z: 11 11.615 2.015 0.453 0.887 0.900 0.800 CB 1.005 11 residues pruned to eliminate duplicates Z: 34 25.006 2.031 0.568 0.499 0.939 0.697 CB 1.457 34 residues pruned to eliminate duplicates Z: 13 8.732 1.976 0.384 0.506 0.917 0.667 CB 0.999 13 residues pruned to eliminate duplicates Z: 38 28.572 2.020 0.414 0.681 0.973 0.730 CA 1.432 31 residues pruned to eliminate duplicates Z: 12 20.799 1.976 0.817 0.895 1.000 0.909 CA 1.252 12 residues pruned to eliminate duplicates Z: 12 18.928 1.886 1.007 0.881 1.000 0.636 CA 1.091 12 residues pruned to eliminate duplicates Z: 18 28.146 2.032 0.695 0.939 1.000 0.882 CA 1.377 18 residues pruned to eliminate duplicates Z: 18 16.378 1.779 0.489 0.855 1.000 0.588 CB 1.106 8 residues pruned to eliminate duplicates Z: 13 15.609 1.763 0.592 0.845 1.000 0.833 CA 1.194 13 residues pruned to eliminate duplicates Z: 24 23.603 1.992 0.821 0.640 1.000 0.739 CB 1.190 Z: 19 30.305 2.291 0.596 0.890 0.944 0.778 CA 1.488 19 residues pruned to eliminate duplicates Z: 42 15.825 1.853 0.317 0.389 0.805 0.488 CB 1.416 40 residues pruned to eliminate duplicates Z: 20 11.086 1.783 0.384 0.558 0.842 0.526 CB 1.157 8 residues pruned to eliminate duplicates 6 1.757 1.436 0.169 0.455 0.600 0.600 C 0.817 ? Z: 11 12.703 1.794 0.591 0.824 0.900 0.800 CB 1.181 10 residues pruned to eliminate duplicates Z: 14 17.928 2.058 0.435 0.896 0.923 0.769 CA 1.307 14 residues pruned to eliminate duplicates Z: 13 29.468 2.302 0.723 0.915 1.000 1.000 CB 1.516 14 residues pruned to eliminate duplicates Z: 16 18.874 2.139 0.584 0.659 0.867 0.667 CA 1.432 16 residues pruned to eliminate duplicates Z: 13 28.634 2.300 0.963 0.875 0.917 0.583 CB 1.453 13 residues pruned to eliminate duplicates Z: 12 21.040 1.934 0.916 0.908 1.000 0.545 CB 1.216 12 residues pruned to eliminate duplicates Z: 6 9.351 1.997 0.508 0.790 1.000 0.800 CA 1.077 6 residues pruned to eliminate duplicates Z: 13 4.985 1.771 0.468 0.314 0.750 0.417 CB 0.907 13 residues pruned to eliminate duplicates Z: 10 12.433 1.636 0.695 0.840 1.000 1.000 CB 1.115 10 residues pruned to eliminate duplicates Z: 7 4.706 1.620 0.215 0.832 0.833 0.667 CB 0.879 7 residues pruned to eliminate duplicates Z: 13 16.597 2.181 0.336 0.819 1.000 1.000 CA 1.246 13 residues pruned to eliminate duplicates Z: 9 12.372 1.893 0.540 0.825 0.875 0.625 CB 1.294 8 residues pruned to eliminate duplicates Z: 12 11.670 1.773 0.515 0.624 1.000 0.818 CB 1.165 Z: 10 13.631 1.971 0.315 0.903 1.000 0.889 CA 1.250 10 residues pruned to eliminate duplicates Z: 12 7.854 1.654 0.506 0.454 0.909 0.818 N 1.097 12 residues pruned to eliminate duplicates Z: 15 23.340 2.106 0.712 0.695 0.929 0.857 CB 1.560 18 residues pruned to eliminate duplicates Z: 12 12.589 1.976 0.641 0.558 0.909 0.818 CA 1.217 12 residues pruned to eliminate duplicates Z: 39 27.115 1.992 0.521 0.694 0.895 0.711 CA 1.360 39 residues pruned to eliminate duplicates Z: 20 20.968 2.014 0.621 0.619 0.895 0.789 CA 1.472 19 residues pruned to eliminate duplicates Z: 45 27.481 2.054 0.536 0.599 0.886 0.545 CB 1.348 25 residues pruned to eliminate duplicates Z: 14 12.904 1.718 0.743 0.898 1.000 0.923 CB 0.855 Z: 8 4.246 2.009 0.208 0.414 0.857 0.571 CB 0.844 Z: 35 26.813 2.069 0.751 0.555 0.912 0.676 CB 1.320 35 residues pruned to eliminate duplicates Z: 63 42.893 2.160 0.725 0.583 0.968 0.661 CB 1.395 52 residues pruned to eliminate duplicates Z: 14 24.619 2.186 0.640 0.886 1.000 0.923 CA 1.374 14 residues pruned to eliminate duplicates Z: 19 20.156 1.785 0.828 0.931 1.000 0.722 CB 1.018 18 residues pruned to eliminate duplicates Z: 19 28.177 2.063 0.679 0.912 0.944 0.778 CA 1.438 19 residues pruned to eliminate duplicates Z: 23 21.100 2.101 0.534 0.518 0.955 0.727 CA 1.436 23 residues pruned to eliminate duplicates Z: 12 15.717 1.887 0.677 0.847 0.909 0.545 CA 1.223 12 residues pruned to eliminate duplicates Z: 35 19.536 2.018 0.629 0.447 0.853 0.529 CB 1.262 50 residues pruned to eliminate duplicates Z: 32 14.394 1.988 0.306 0.422 0.903 0.484 CB 1.196 32 residues pruned to eliminate duplicates Z: 13 8.084 1.577 0.372 0.576 0.833 0.583 CA 1.204 Z: 29 12.118 1.991 0.504 0.360 0.714 0.429 CB 1.245 29 residues pruned to eliminate duplicates Z: 13 35.156 2.115 1.365 0.928 1.000 0.417 CA 1.421 13 residues pruned to eliminate duplicates Z: 13 15.359 2.247 -0.026 0.928 1.000 1.000 CB 1.419 13 residues pruned to eliminate duplicates Z: 46 29.363 2.059 0.531 0.603 0.956 0.556 CB 1.318 45 residues pruned to eliminate duplicates Z: 17 14.653 1.792 0.448 0.843 0.938 0.625 CA 1.122 17 residues pruned to eliminate duplicates Z: 12 23.783 1.977 0.911 0.912 1.000 0.909 CA 1.345 12 residues pruned to eliminate duplicates Z: 8 6.872 1.915 0.052 0.709 0.857 0.571 CB 1.244 8 residues pruned to eliminate duplicates Z: 7 11.203 1.961 0.340 0.769 1.000 0.833 CB 1.371 7 residues pruned to eliminate duplicates Z: 11 19.028 2.066 0.645 0.859 1.000 0.800 CA 1.302 11 residues pruned to eliminate duplicates Z: 10 10.166 1.711 0.569 0.719 0.889 0.444 CA 1.165 10 residues pruned to eliminate duplicates Z: 18 5.005 1.558 0.377 0.266 0.647 0.412 CB 1.141 Z: 40 20.214 1.959 0.525 0.465 0.872 0.641 CB 1.288 38 residues pruned to eliminate duplicates Z: 20 25.685 1.968 0.720 0.898 0.947 0.895 CA 1.315 20 residues pruned to eliminate duplicates Z: 14 32.244 2.116 0.962 0.930 1.000 0.846 CB 1.507 23 residues pruned to eliminate duplicates Z: 13 5.444 1.608 0.577 0.263 0.750 0.667 CA 1.083 Z: 72 27.418 1.904 0.406 0.505 0.930 0.507 CB 1.301 53 residues pruned to eliminate duplicates Z: 59 18.948 1.836 0.471 0.425 0.862 0.534 CB 1.155 42 residues pruned to eliminate duplicates Z: 22 14.598 2.127 0.463 0.481 0.857 0.571 CB 1.218 22 residues pruned to eliminate duplicates Z: 7 4.591 1.738 -0.202 0.799 1.000 0.667 CB 1.040 7 residues pruned to eliminate duplicates Z: 14 12.398 1.694 0.579 0.903 1.000 0.846 CB 0.916 14 residues pruned to eliminate duplicates Z: 15 14.942 2.063 0.028 0.908 1.000 0.929 CA 1.337 15 residues pruned to eliminate duplicates Z: 8 12.501 2.020 0.626 0.877 1.000 0.429 CB 1.044 Z: 17 13.249 1.730 0.579 0.810 0.875 0.562 CB 1.058 17 residues pruned to eliminate duplicates Z: 17 20.795 1.954 0.782 0.914 1.000 0.812 CB 1.056 17 residues pruned to eliminate duplicates Z: 11 21.268 2.033 0.946 0.895 1.000 0.900 CA 1.219 11 residues pruned to eliminate duplicates Z: 18 11.143 1.584 0.510 0.519 0.882 0.529 CA 1.257 18 residues pruned to eliminate duplicates Z: 9 22.492 2.185 0.795 0.876 1.000 0.750 CA 1.473 9 residues pruned to eliminate duplicates Z: 47 22.752 1.852 0.513 0.572 0.848 0.609 CB 1.317 47 residues pruned to eliminate duplicates Z: 17 17.503 1.837 0.492 0.900 1.000 0.688 CB 1.141 17 residues pruned to eliminate duplicates Z: 15 12.578 1.649 0.570 0.914 1.000 0.786 CB 0.918 14 residues pruned to eliminate duplicates Z: 24 17.311 1.952 0.452 0.469 0.913 0.478 CB 1.440 24 residues pruned to eliminate duplicates Z: 10 17.463 2.005 1.111 0.882 0.778 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 6 2.651 1.519 -0.138 0.477 1.000 0.800 CB 0.927 Z: 18 16.736 2.061 0.541 0.516 0.882 0.588 CB 1.425 18 residues pruned to eliminate duplicates Z: 7 4.999 1.817 0.378 0.485 0.833 0.500 CB 0.994 Z: 11 14.542 2.138 0.440 0.527 1.000 0.800 CA 1.454 11 residues pruned to eliminate duplicates Z: 12 35.102 2.252 1.147 0.933 1.000 0.909 CA 1.528 12 residues pruned to eliminate duplicates Z: 7 4.741 1.488 0.803 0.579 1.000 0.833 CB 0.669 Z: 9 3.998 1.870 0.375 0.316 0.625 0.250 CB 1.077 9 residues pruned to eliminate duplicates Z: 27 25.723 2.139 0.744 0.545 0.962 0.615 CA 1.345 27 residues pruned to eliminate duplicates Z: 13 13.391 1.856 0.298 0.913 1.000 0.833 CB 1.136 Z: 8 12.257 1.821 0.541 0.902 1.000 0.857 CB 1.177 9 residues pruned to eliminate duplicates Z: 32 29.146 2.178 0.748 0.622 0.935 0.613 CB 1.310 32 residues pruned to eliminate duplicates Z: 16 20.606 2.141 0.289 0.906 1.000 0.867 CA 1.371 16 residues pruned to eliminate duplicates Z: 14 5.873 1.721 0.236 0.226 0.923 0.615 CA 1.143 14 residues pruned to eliminate duplicates Z: 42 23.886 1.935 0.377 0.663 0.878 0.585 CB 1.372 42 residues pruned to eliminate duplicates Z: 21 26.995 1.875 0.865 0.847 1.000 0.650 CB 1.281 21 residues pruned to eliminate duplicates Z: 57 21.577 1.888 0.523 0.463 0.839 0.554 CB 1.241 59 residues pruned to eliminate duplicates Z: 8 6.505 1.870 0.546 0.351 0.714 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 27 24.712 1.881 0.664 0.774 0.962 0.769 CB 1.264 27 residues pruned to eliminate duplicates Z: 16 12.159 1.857 0.525 0.419 0.800 0.467 CB 1.507 16 residues pruned to eliminate duplicates Z: 19 17.975 2.083 0.560 0.601 0.889 0.722 CB 1.332 19 residues pruned to eliminate duplicates Z: 21 12.944 2.049 0.459 0.431 0.800 0.650 CB 1.299 21 residues pruned to eliminate duplicates Z: 13 20.857 2.064 0.748 0.924 1.000 0.750 CB 1.172 8 residues pruned to eliminate duplicates Z: 19 45.724 2.291 1.061 0.912 0.944 0.611 CB 1.712 19 residues pruned to eliminate duplicates Z: 22 13.801 2.088 0.355 0.519 0.857 0.429 CB 1.218 25 residues pruned to eliminate duplicates Z: 19 24.334 2.131 0.736 0.817 0.889 0.722 CB 1.325 19 residues pruned to eliminate duplicates Z: 11 15.428 2.056 0.648 0.522 0.900 0.700 CA 1.566 Z: 7 10.232 1.630 1.046 0.781 1.000 1.000 CA 0.978 7 residues pruned to eliminate duplicates Z: 8 6.285 1.686 0.274 0.599 0.857 0.571 CA 1.175 Z: 15 19.811 2.049 1.015 0.931 1.000 0.571 CB 0.896 15 residues pruned to eliminate duplicates Z: 14 15.214 1.897 0.831 0.515 0.923 0.615 CA 1.296 14 residues pruned to eliminate duplicates Z: 12 33.591 2.206 1.151 0.929 1.000 0.818 CA 1.493 12 residues pruned to eliminate duplicates Z: 12 35.780 2.216 1.336 0.936 1.000 0.545 CA 1.452 12 residues pruned to eliminate duplicates Z: 21 13.833 1.900 0.226 0.614 0.950 0.700 CA 1.254 21 residues pruned to eliminate duplicates Z: 8 8.114 1.804 0.481 0.620 0.714 0.714 CA 1.434 7 residues pruned to eliminate duplicates Z: 8 18.550 2.034 0.841 0.788 1.000 0.857 CA 1.454 8 residues pruned to eliminate duplicates Z: 22 19.104 1.909 0.769 0.640 0.952 0.714 CB 1.137 22 residues pruned to eliminate duplicates Z: 23 13.326 2.119 0.316 0.455 0.864 0.455 CB 1.235 23 residues pruned to eliminate duplicates Z: 16 34.117 2.137 1.077 0.942 1.000 0.733 CB 1.376 16 residues pruned to eliminate duplicates Z: 40 19.626 1.941 0.576 0.544 0.872 0.667 CB 1.129 53 residues pruned to eliminate duplicates Z: 18 15.569 1.753 0.438 0.860 0.882 0.647 CB 1.249 18 residues pruned to eliminate duplicates Z: 16 12.618 1.616 0.360 0.809 0.933 0.600 CB 1.213 16 residues pruned to eliminate duplicates Z: 26 23.289 2.057 0.996 0.639 0.880 0.360 CB 1.133 29 residues pruned to eliminate duplicates Z: 11 11.638 1.944 0.625 0.338 0.900 0.500 CA 1.546 11 residues pruned to eliminate duplicates Z: 27 12.281 1.916 0.534 0.420 0.846 0.654 CB 1.053 27 residues pruned to eliminate duplicates Z: 60 36.503 2.061 0.784 0.594 0.898 0.627 CB 1.316 60 residues pruned to eliminate duplicates Z: 14 22.027 2.070 1.079 0.940 0.923 0.692 CB 1.068 Z: 19 24.727 1.986 0.763 0.847 0.889 0.667 CB 1.391 19 residues pruned to eliminate duplicates Z: 53 22.894 1.949 0.472 0.426 0.923 0.423 CB 1.295 53 residues pruned to eliminate duplicates Z: 11 6.055 1.821 0.450 0.288 0.800 0.300 CB 1.151 11 residues pruned to eliminate duplicates Z: 11 8.038 1.686 0.720 0.378 0.800 0.400 CB 1.248 11 residues pruned to eliminate duplicates Z: 13 12.680 1.895 0.499 0.571 0.917 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 16 14.783 1.794 0.425 0.933 1.000 0.867 CB 1.042 16 residues pruned to eliminate duplicates Z: 22 21.603 1.926 0.604 0.832 0.857 0.762 CA 1.336 22 residues pruned to eliminate duplicates Z: 15 15.814 1.692 0.528 0.831 1.000 0.643 CB 1.229 15 residues pruned to eliminate duplicates Z: 17 21.054 1.972 0.944 0.920 1.000 0.625 CB 0.967 17 residues pruned to eliminate duplicates Z: 18 13.952 1.723 0.280 0.903 1.000 0.882 CB 1.093 17 residues pruned to eliminate duplicates Z: 17 15.785 1.817 0.327 0.861 0.938 0.625 CA 1.282 17 residues pruned to eliminate duplicates Z: 26 25.924 2.012 0.525 0.710 0.960 0.760 CA 1.455 25 residues pruned to eliminate duplicates Z: 12 18.260 1.887 0.971 0.886 0.909 0.636 CA 1.175 12 residues pruned to eliminate duplicates Z: 6 3.953 1.717 0.471 0.557 1.000 0.800 CB 0.662 6 residues pruned to eliminate duplicates Z: 19 17.069 2.018 0.445 0.621 0.889 0.833 CB 1.384 19 residues pruned to eliminate duplicates Z: 44 19.435 2.005 0.428 0.463 0.837 0.512 CB 1.284 44 residues pruned to eliminate duplicates Z: 16 18.482 1.689 0.845 0.914 1.000 0.600 CB 1.083 16 residues pruned to eliminate duplicates Z: 12 10.832 1.643 0.566 0.548 1.000 0.545 CB 1.211 12 residues pruned to eliminate duplicates Z: 23 14.126 1.964 0.341 0.480 0.864 0.682 CB 1.350 23 residues pruned to eliminate duplicates Z: 7 5.166 1.719 0.038 0.804 0.833 0.500 CB 1.087 7 residues pruned to eliminate duplicates Z: 46 24.588 1.845 0.542 0.619 0.889 0.600 CB 1.295 46 residues pruned to eliminate duplicates 6 1.396 1.534 0.302 0.100 0.800 0.600 CB 0.651 ? Z: 8 7.679 1.788 0.567 0.491 0.714 0.714 N 1.463 8 residues pruned to eliminate duplicates Z: 8 4.983 1.497 0.537 0.280 1.000 0.429 C 1.049 8 residues pruned to eliminate duplicates Z: 7 2.353 1.658 0.402 0.398 0.667 0.667 CB 0.690 7 residues pruned to eliminate duplicates Z: 58 30.075 2.096 0.638 0.534 0.789 0.491 CB 1.421 58 residues pruned to eliminate duplicates Z: 6 2.484 1.590 0.247 0.368 0.800 0.600 CA 0.808 6 residues pruned to eliminate duplicates Z: 19 23.255 1.965 0.697 0.888 0.889 0.667 CB 1.332 19 residues pruned to eliminate duplicates Z: 10 4.078 1.700 0.615 0.191 0.778 0.333 CB 0.922 10 residues pruned to eliminate duplicates Z: 7 3.809 1.640 0.377 0.632 0.833 0.500 CA 0.730 7 residues pruned to eliminate duplicates Z: 12 14.416 1.989 0.634 0.607 0.909 0.727 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 21.039 2.223 0.620 0.888 1.000 0.917 CA 1.215 13 residues pruned to eliminate duplicates Z: 34 14.040 1.966 0.214 0.357 0.848 0.485 CB 1.408 34 residues pruned to eliminate duplicates Z: 27 16.653 1.957 0.383 0.432 0.923 0.462 CA 1.402 27 residues pruned to eliminate duplicates Z: 16 11.407 1.821 0.082 0.849 0.867 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 7 4.922 1.521 0.602 0.403 0.833 0.500 CB 1.096 Z: 17 11.812 1.757 0.190 0.905 1.000 1.000 CB 1.005 17 residues pruned to eliminate duplicates Z: 16 13.765 1.528 0.292 0.858 1.000 0.933 CB 1.326 16 residues pruned to eliminate duplicates Z: 13 8.671 2.049 -0.084 0.907 1.000 0.917 CB 0.948 13 residues pruned to eliminate duplicates Z: 17 19.242 1.845 0.674 0.893 0.938 0.625 CB 1.193 17 residues pruned to eliminate duplicates Z: 22 19.156 1.853 0.644 0.847 0.905 0.667 CB 1.126 22 residues pruned to eliminate duplicates Z: 11 21.234 2.207 0.728 0.660 1.000 0.800 CA 1.518 11 residues pruned to eliminate duplicates Z: 21 8.936 1.800 0.148 0.407 0.900 0.500 CA 1.185 21 residues pruned to eliminate duplicates Z: 28 22.713 1.883 0.582 0.651 0.963 0.778 CB 1.324 28 residues pruned to eliminate duplicates Z: 7 4.160 1.723 0.117 0.419 1.000 0.667 CB 0.961 Z: 21 15.059 1.841 0.728 0.541 0.900 0.550 CB 1.130 21 residues pruned to eliminate duplicates Z: 26 16.815 1.930 0.732 0.419 0.840 0.680 CB 1.303 26 residues pruned to eliminate duplicates Z: 7 7.817 1.975 0.005 0.881 1.000 1.000 CA 1.164 7 residues pruned to eliminate duplicates Z: 12 40.559 2.219 1.458 0.928 1.000 0.455 CB 1.570 12 residues pruned to eliminate duplicates Z: 15 14.017 1.855 0.187 0.927 1.000 1.000 CA 1.193 15 residues pruned to eliminate duplicates Z: 47 25.282 2.045 0.383 0.578 0.978 0.565 CB 1.250 61 residues pruned to eliminate duplicates Z: 15 16.129 2.020 0.577 0.937 1.000 0.786 CB 0.942 15 residues pruned to eliminate duplicates Z: 12 11.527 1.583 0.464 0.806 1.000 0.818 CA 1.148 12 residues pruned to eliminate duplicates Z: 72 27.007 1.895 0.444 0.516 0.887 0.535 CB 1.299 72 residues pruned to eliminate duplicates Z: 10 19.323 1.968 0.837 0.867 1.000 0.444 CA 1.303 10 residues pruned to eliminate duplicates Z: 18 32.304 2.041 0.993 0.899 1.000 0.647 CA 1.377 18 residues pruned to eliminate duplicates Z: 6 5.689 1.805 0.265 0.483 1.000 0.600 CB 1.133 7 residues pruned to eliminate duplicates Z: 16 18.784 2.013 1.010 0.903 0.933 0.333 CB 0.915 16 residues pruned to eliminate duplicates Z: 28 20.552 1.790 0.608 0.737 0.926 0.667 CB 1.200 28 residues pruned to eliminate duplicates Z: 13 15.852 1.805 0.592 0.885 1.000 0.833 CA 1.150 Z: 15 12.921 1.634 0.495 0.923 1.000 0.929 CB 0.994 14 residues pruned to eliminate duplicates Z: 17 21.673 2.124 0.601 0.644 0.938 0.750 CA 1.485 18 residues pruned to eliminate duplicates Z: 34 21.188 1.814 0.540 0.610 0.909 0.636 CB 1.309 34 residues pruned to eliminate duplicates Z: 16 13.833 1.831 0.193 0.918 1.000 0.800 CB 1.153 16 residues pruned to eliminate duplicates Z: 14 18.086 2.036 0.651 0.896 0.923 0.769 CA 1.158 14 residues pruned to eliminate duplicates Z: 28 14.059 1.892 0.499 0.415 0.815 0.519 CB 1.279 28 residues pruned to eliminate duplicates Z: 18 21.151 1.827 0.672 0.847 1.000 0.647 CB 1.247 18 residues pruned to eliminate duplicates Z: 18 15.109 1.753 0.396 0.934 1.000 0.706 CB 1.044 18 residues pruned to eliminate duplicates Z: 41 45.956 2.238 0.904 0.765 0.900 0.650 CB 1.497 41 residues pruned to eliminate duplicates Z: 24 18.806 1.974 0.775 0.439 0.913 0.478 CB 1.304 24 residues pruned to eliminate duplicates Z: 15 14.191 1.655 0.319 0.872 1.000 0.857 CB 1.266 15 residues pruned to eliminate duplicates Z: 10 12.004 2.004 0.465 0.879 0.889 0.889 CB 1.112 10 residues pruned to eliminate duplicates Z: 11 11.353 1.632 0.884 0.665 0.900 0.600 CA 1.113 Z: 12 10.090 1.635 0.303 0.820 0.909 0.727 CA 1.191 12 residues pruned to eliminate duplicates Z: 39 26.807 1.977 0.511 0.693 0.947 0.711 CA 1.288 39 residues pruned to eliminate duplicates Z: 15 4.920 1.746 0.225 0.285 0.643 0.357 CB 1.217 15 residues pruned to eliminate duplicates Z: 8 6.128 1.544 0.909 0.632 0.857 0.714 CB 0.810 Z: 17 17.482 1.779 0.427 0.906 1.000 0.938 CB 1.224 17 residues pruned to eliminate duplicates Z: 6 2.443 1.691 -0.021 0.482 0.800 0.600 CA 0.840 6 residues pruned to eliminate duplicates Z: 9 2.616 1.596 0.055 0.282 0.750 0.500 CB 0.937 9 residues pruned to eliminate duplicates Z: 30 18.897 2.066 0.576 0.374 0.897 0.552 CB 1.375 30 residues pruned to eliminate duplicates Z: 8 4.488 1.577 0.059 0.791 0.857 0.857 CB 0.918 8 residues pruned to eliminate duplicates Z: 46 21.963 2.007 0.491 0.425 0.889 0.511 CB 1.331 46 residues pruned to eliminate duplicates Z: 7 4.726 1.668 0.351 0.541 0.833 0.667 CB 0.987 7 residues pruned to eliminate duplicates Z: 19 36.574 2.285 0.798 0.891 0.944 0.778 CA 1.597 19 residues pruned to eliminate duplicates Z: 7 3.729 1.698 0.463 0.296 0.667 0.500 CB 1.155 Z: 8 3.837 1.831 0.721 0.558 0.857 0.571 CB 0.507 Z: 13 7.925 1.581 0.240 0.610 0.833 0.667 CA 1.262 13 residues pruned to eliminate duplicates Z: 17 15.099 1.625 0.497 0.863 1.000 0.625 CB 1.138 17 residues pruned to eliminate duplicates Z: 15 14.780 2.145 0.092 0.884 0.929 0.929 CA 1.312 15 residues pruned to eliminate duplicates Z: 8 5.009 1.558 0.583 0.354 0.714 0.571 CB 1.258 8 residues pruned to eliminate duplicates Z: 31 15.804 1.846 0.338 0.509 0.900 0.400 CB 1.286 31 residues pruned to eliminate duplicates Z: 9 6.976 1.676 0.382 0.496 0.875 0.500 CA 1.223 9 residues pruned to eliminate duplicates Z: 18 12.651 1.863 0.618 0.542 0.882 0.588 CB 1.107 18 residues pruned to eliminate duplicates Z: 25 21.608 2.125 0.783 0.620 0.917 0.583 CB 1.133 25 residues pruned to eliminate duplicates Z: 29 12.208 1.580 0.663 0.626 0.929 0.607 CB 0.840 28 residues pruned to eliminate duplicates Z: 17 19.782 1.837 0.634 0.840 1.000 0.750 CA 1.229 17 residues pruned to eliminate duplicates Z: 11 15.522 2.172 0.449 0.618 0.900 0.800 CA 1.550 11 residues pruned to eliminate duplicates Z: 17 15.667 1.750 0.653 0.927 0.938 0.625 CB 1.012 17 residues pruned to eliminate duplicates Z: 14 18.015 1.739 0.667 0.862 1.000 0.846 CA 1.265 14 residues pruned to eliminate duplicates Z: 17 20.530 1.843 0.642 0.901 1.000 0.625 CB 1.210 17 residues pruned to eliminate duplicates Z: 6 5.174 1.537 -0.030 0.778 1.000 0.600 CA 1.214 5 residues pruned to eliminate duplicates Z: 12 34.584 2.270 1.101 0.938 1.000 0.545 CA 1.520 12 residues pruned to eliminate duplicates Z: 13 23.021 2.161 0.560 0.924 1.000 0.917 CA 1.384 13 residues pruned to eliminate duplicates Z: 17 15.417 1.694 0.410 0.811 1.000 0.625 CB 1.230 17 residues pruned to eliminate duplicates Z: 13 15.585 1.951 0.645 0.908 1.000 1.000 CB 0.995 11 residues pruned to eliminate duplicates Z: 16 28.641 2.061 1.093 0.938 1.000 0.267 CB 1.192 16 residues pruned to eliminate duplicates Z: 6 6.564 1.687 0.840 0.625 0.800 0.600 N 1.051 Z: 22 17.158 2.129 0.618 0.484 0.905 0.619 CB 1.220 22 residues pruned to eliminate duplicates Z: 7 4.314 1.277 0.297 0.785 1.000 0.833 CB 0.828 Z: 15 4.766 1.518 0.240 0.298 0.786 0.357 CB 1.079 7 residues pruned to eliminate duplicates Z: 18 16.646 1.734 0.655 0.938 1.000 0.588 CB 0.979 17 residues pruned to eliminate duplicates Z: 11 5.317 1.557 -0.017 0.529 0.900 0.500 CB 1.185 Z: 18 37.131 2.313 0.726 0.904 1.000 0.647 CA 1.607 18 residues pruned to eliminate duplicates Z: 20 24.346 2.146 0.720 0.523 1.000 0.579 CA 1.479 20 residues pruned to eliminate duplicates Z: 75 27.685 2.000 0.505 0.434 0.865 0.568 CB 1.323 75 residues pruned to eliminate duplicates Z: 32 18.399 1.805 0.500 0.661 0.935 0.581 CB 1.123 32 residues pruned to eliminate duplicates Z: 15 12.094 1.791 0.107 0.922 1.000 0.857 CB 1.147 15 residues pruned to eliminate duplicates Z: 6 3.573 1.787 -0.342 0.796 1.000 0.800 CB 1.048 6 residues pruned to eliminate duplicates Z: 16 16.627 1.756 0.575 0.909 1.000 0.400 CB 1.102 16 residues pruned to eliminate duplicates Z: 36 13.036 1.695 0.412 0.604 0.800 0.657 CB 1.043 36 residues pruned to eliminate duplicates Z: 14 18.817 2.051 0.800 0.922 0.923 0.692 CB 1.077 15 residues pruned to eliminate duplicates Z: 11 19.183 1.989 1.007 0.899 0.800 0.400 CA 1.358 11 residues pruned to eliminate duplicates Z: 11 10.564 1.691 0.342 0.790 1.000 0.600 CB 1.141 11 residues pruned to eliminate duplicates Z: 19 29.185 2.008 0.736 0.892 0.944 0.833 CA 1.501 19 residues pruned to eliminate duplicates Z: 16 12.564 1.753 0.146 0.904 1.000 0.933 CB 1.151 16 residues pruned to eliminate duplicates Z: 17 16.565 1.798 0.462 0.874 1.000 0.562 CB 1.147 17 residues pruned to eliminate duplicates Z: 13 27.134 2.161 0.925 0.905 1.000 0.417 CB 1.341 13 residues pruned to eliminate duplicates Z: 7 7.212 1.964 0.269 0.596 0.833 0.833 CB 1.294 Z: 23 11.794 1.848 0.263 0.419 0.909 0.409 CB 1.289 23 residues pruned to eliminate duplicates Z: 27 17.873 1.945 0.753 0.532 0.808 0.654 CB 1.234 41 residues pruned to eliminate duplicates Z: 35 22.986 2.055 0.592 0.583 0.882 0.588 CB 1.260 35 residues pruned to eliminate duplicates Z: 15 24.509 1.924 1.193 0.940 1.000 0.571 CB 1.078 Z: 6 3.523 1.536 0.085 0.756 0.800 0.600 CA 0.942 Z: 16 10.955 1.608 0.624 0.607 0.800 0.667 CB 1.223 15 residues pruned to eliminate duplicates Z: 11 13.278 1.784 0.525 0.767 1.000 0.900 CA 1.218 13 residues pruned to eliminate duplicates Z: 9 10.249 1.822 0.686 0.617 0.875 0.500 CB 1.207 9 residues pruned to eliminate duplicates Z: 13 8.657 1.644 0.564 0.529 0.833 0.667 CA 1.134 13 residues pruned to eliminate duplicates Z: 11 5.721 1.568 0.057 0.474 0.900 0.700 C 1.247 11 residues pruned to eliminate duplicates Z: 18 9.255 1.862 0.368 0.365 0.824 0.529 CB 1.237 18 residues pruned to eliminate duplicates Z: 35 14.246 1.980 0.318 0.442 0.882 0.559 CB 1.126 35 residues pruned to eliminate duplicates Z: 15 6.749 1.408 0.511 0.538 0.929 0.500 CB 0.879 14 residues pruned to eliminate duplicates 6 1.647 1.208 0.288 0.768 1.000 0.600 CB 0.373 ? Z: 16 14.917 1.856 0.503 0.740 0.933 0.600 CA 1.193 16 residues pruned to eliminate duplicates Z: 21 24.484 2.066 0.644 0.799 0.900 0.500 CB 1.379 21 residues pruned to eliminate duplicates Z: 54 26.898 1.999 0.451 0.614 0.925 0.717 CB 1.236 69 residues pruned to eliminate duplicates Z: 23 16.326 1.837 0.600 0.504 0.955 0.727 CB 1.236 23 residues pruned to eliminate duplicates Z: 10 15.044 2.203 1.086 0.456 0.889 0.889 CA 1.285 10 residues pruned to eliminate duplicates Z: 14 12.396 1.733 0.725 0.897 0.923 0.538 CB 0.891 14 residues pruned to eliminate duplicates Z: 16 15.761 1.877 0.282 0.878 1.000 1.000 CA 1.227 16 residues pruned to eliminate duplicates Z: 7 2.150 1.815 0.269 0.545 0.833 0.667 CB 0.437 7 residues pruned to eliminate duplicates Z: 12 9.972 1.714 0.520 0.597 0.909 0.727 CB 1.158 12 residues pruned to eliminate duplicates Z: 12 11.425 1.823 0.781 0.543 0.818 0.545 CA 1.243 12 residues pruned to eliminate duplicates Z: 15 17.022 2.036 0.752 0.907 0.929 0.786 CB 0.977 15 residues pruned to eliminate duplicates Z: 7 4.867 1.547 0.360 0.290 1.000 0.333 N 1.195 Z: 16 14.713 1.650 0.801 0.901 1.000 0.867 CB 0.912 16 residues pruned to eliminate duplicates Z: 15 12.819 1.634 0.727 0.907 1.000 0.643 CB 0.863 15 residues pruned to eliminate duplicates Z: 18 13.690 1.723 0.330 0.883 1.000 0.647 CB 1.049 18 residues pruned to eliminate duplicates Z: 8 7.821 1.869 0.193 0.590 0.857 0.714 CB 1.418 Z: 13 13.085 1.759 0.575 0.875 0.917 0.750 CB 1.082 13 residues pruned to eliminate duplicates Z: 56 33.257 1.874 0.707 0.633 0.927 0.600 CB 1.334 66 residues pruned to eliminate duplicates Z: 35 19.731 2.020 0.298 0.551 0.941 0.529 CB 1.305 35 residues pruned to eliminate duplicates Z: 16 9.290 1.529 0.331 0.868 1.000 0.733 CB 0.862 16 residues pruned to eliminate duplicates Z: 7 7.996 1.944 0.402 0.465 0.833 0.500 CA 1.489 7 residues pruned to eliminate duplicates Z: 8 4.337 1.630 0.253 0.435 0.714 0.571 CB 1.202 Z: 19 27.460 2.014 0.834 0.926 0.889 0.833 CB 1.382 19 residues pruned to eliminate duplicates Z: 16 13.416 1.799 0.434 0.901 0.933 0.800 CB 1.027 16 residues pruned to eliminate duplicates Z: 7 2.548 1.382 0.144 0.461 0.667 0.500 CB 1.028 Z: 9 4.006 1.855 0.204 0.381 0.750 0.625 CB 0.959 3 residues pruned to eliminate duplicates Z: 8 3.468 1.734 0.230 0.539 0.714 0.714 CB 0.828 Z: 11 2.636 1.459 0.603 0.275 0.500 0.300 CB 0.919 Z: 6 8.881 1.681 0.802 0.602 1.000 0.800 CB 1.190 7 residues pruned to eliminate duplicates Z: 8 11.285 1.657 0.684 0.731 0.857 0.857 CA 1.449 8 residues pruned to eliminate duplicates Z: 16 19.139 1.878 0.610 0.864 0.933 0.667 CB 1.284 16 residues pruned to eliminate duplicates Z: 17 13.774 1.790 0.265 0.852 0.938 0.562 CA 1.200 17 residues pruned to eliminate duplicates Z: 11 27.988 2.327 0.923 0.915 1.000 0.500 CA 1.397 11 residues pruned to eliminate duplicates Z: 14 17.122 1.808 0.601 0.906 1.000 0.846 CB 1.166 14 residues pruned to eliminate duplicates Z: 17 9.115 1.660 0.552 0.500 0.875 0.500 CB 1.011 24 residues pruned to eliminate duplicates Z: 24 10.057 1.847 0.400 0.330 0.826 0.522 CB 1.184 24 residues pruned to eliminate duplicates Z: 13 12.746 2.081 0.600 0.871 1.000 0.750 CB 0.806 13 residues pruned to eliminate duplicates Z: 11 18.134 1.900 0.800 0.911 1.000 0.900 CA 1.189 11 residues pruned to eliminate duplicates Z: 16 13.200 1.840 0.277 0.853 0.867 0.667 CA 1.237 16 residues pruned to eliminate duplicates Z: 38 27.806 2.008 0.681 0.505 0.919 0.703 CB 1.466 33 residues pruned to eliminate duplicates Z: 11 10.557 1.762 0.519 0.609 0.900 0.800 CB 1.250 11 residues pruned to eliminate duplicates Z: 17 18.283 2.005 0.361 0.593 1.000 0.688 CA 1.532 17 residues pruned to eliminate duplicates Z: 6 5.233 1.745 -0.081 0.767 1.000 1.000 C 1.152 6 residues pruned to eliminate duplicates Z: 19 18.063 1.942 0.757 0.509 0.889 0.667 CA 1.391 19 residues pruned to eliminate duplicates Z: 11 9.694 1.791 0.176 0.593 1.000 0.600 CA 1.332 11 residues pruned to eliminate duplicates Z: 6 4.767 1.647 0.488 0.657 1.000 0.400 CA 0.751 6 residues pruned to eliminate duplicates Z: 6 2.814 1.727 -0.407 0.782 1.000 0.800 CB 0.959 6 residues pruned to eliminate duplicates Z: 46 15.731 1.900 0.390 0.360 0.822 0.489 CB 1.256 46 residues pruned to eliminate duplicates Z: 18 11.022 1.813 0.295 0.666 0.882 0.647 CA 1.106 18 residues pruned to eliminate duplicates Z: 7 3.668 1.723 0.227 0.466 0.667 0.333 CB 1.099 Z: 26 17.754 1.830 0.663 0.532 0.880 0.520 CB 1.284 26 residues pruned to eliminate duplicates Z: 16 13.614 1.800 0.250 0.861 1.000 0.800 CA 1.148 16 residues pruned to eliminate duplicates Z: 14 7.510 1.636 0.512 0.449 0.846 0.462 CA 1.048 12 residues pruned to eliminate duplicates Z: 9 5.836 1.461 0.210 0.545 1.000 0.625 CB 1.118 11 residues pruned to eliminate duplicates Z: 13 12.550 1.788 0.696 0.550 0.917 0.500 CB 1.241 13 residues pruned to eliminate duplicates Z: 18 24.154 2.042 0.758 0.893 0.882 0.588 CA 1.328 18 residues pruned to eliminate duplicates Z: 6 6.111 1.511 0.154 0.749 1.000 0.800 CA 1.256 6 residues pruned to eliminate duplicates Z: 13 13.871 1.688 0.250 0.848 1.000 0.917 CA 1.408 13 residues pruned to eliminate duplicates Z: 13 17.194 2.108 0.674 0.869 0.917 0.833 CA 1.121 13 residues pruned to eliminate duplicates Z: 33 20.470 2.056 0.425 0.405 0.875 0.594 CB 1.561 33 residues pruned to eliminate duplicates Z: 29 25.095 2.016 0.926 0.583 0.964 0.536 CB 1.170 29 residues pruned to eliminate duplicates Z: 11 12.582 1.841 0.757 0.839 0.900 0.600 CA 1.021 11 residues pruned to eliminate duplicates Z: 16 10.317 1.798 0.260 0.798 0.800 0.533 CA 1.132 16 residues pruned to eliminate duplicates Z: 16 13.892 1.853 0.207 0.823 0.933 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 17 14.953 1.794 0.380 0.862 0.938 0.875 CA 1.182 17 residues pruned to eliminate duplicates Z: 13 9.446 1.742 0.299 0.576 0.917 0.667 CB 1.222 13 residues pruned to eliminate duplicates Z: 37 18.956 1.830 0.611 0.475 0.944 0.611 CB 1.164 35 residues pruned to eliminate duplicates Z: 11 3.119 1.271 0.143 0.248 0.900 0.500 CB 1.008 Z: 8 6.085 1.648 0.231 0.716 0.857 0.571 CA 1.087 8 residues pruned to eliminate duplicates Z: 46 19.710 2.017 0.451 0.411 0.844 0.467 CB 1.304 46 residues pruned to eliminate duplicates Z: 8 3.780 1.735 0.194 0.403 0.714 0.714 CB 1.069 7 residues pruned to eliminate duplicates Z: 8 5.823 1.713 0.187 0.540 1.000 0.286 C 1.040 Z: 7 4.808 1.592 0.618 0.384 0.833 0.333 CB 1.034 8 residues pruned to eliminate duplicates Z: 9 5.342 1.653 0.373 0.210 0.875 0.625 CB 1.339 Z: 12 9.731 1.697 0.469 0.656 0.818 0.727 CB 1.244 12 residues pruned to eliminate duplicates Z: 45 22.330 1.928 0.635 0.528 0.932 0.591 CB 1.115 45 residues pruned to eliminate duplicates Z: 30 21.084 2.062 0.432 0.617 0.966 0.621 CB 1.229 30 residues pruned to eliminate duplicates Z: 33 10.536 1.686 0.386 0.386 0.812 0.500 CB 1.107 44 residues pruned to eliminate duplicates Z: 13 15.785 2.043 0.697 0.606 0.917 0.750 CB 1.297 13 residues pruned to eliminate duplicates 6 0.823 1.395 -0.009 0.100 0.600 0.400 N 0.740 ? Z: 7 2.508 1.529 0.353 0.301 0.667 0.500 CB 0.927 Z: 14 8.113 1.868 0.447 0.460 0.769 0.615 CB 1.127 14 residues pruned to eliminate duplicates Z: 6 4.426 1.473 0.427 0.311 1.000 0.800 CB 1.161 6 residues pruned to eliminate duplicates Z: 11 11.338 1.520 0.855 0.836 0.900 0.400 CA 1.057 11 residues pruned to eliminate duplicates Z: 11 12.280 1.899 0.256 0.908 1.000 1.000 CB 1.156 11 residues pruned to eliminate duplicates Z: 16 26.183 2.128 0.481 0.931 1.000 1.000 CB 1.498 16 residues pruned to eliminate duplicates Z: 62 35.250 2.049 0.720 0.567 0.902 0.459 CB 1.331 62 residues pruned to eliminate duplicates Z: 35 20.391 1.999 0.582 0.492 0.882 0.588 CB 1.264 35 residues pruned to eliminate duplicates Z: 7 3.149 1.360 0.274 0.273 1.000 0.667 CB 0.960 Z: 18 10.424 1.746 0.349 0.615 0.882 0.588 CB 1.090 18 residues pruned to eliminate duplicates Z: 14 10.947 1.670 0.485 0.894 1.000 0.615 CB 0.878 14 residues pruned to eliminate duplicates Z: 6 2.620 1.591 -0.083 0.701 1.000 0.600 CB 0.669 Z: 11 11.078 1.862 0.462 0.764 1.000 0.800 CB 1.019 11 residues pruned to eliminate duplicates Z: 8 5.825 1.709 0.709 0.377 1.000 0.429 CB 0.860 Z: 6 5.592 1.588 0.532 0.599 0.800 0.600 CA 1.169 6 residues pruned to eliminate duplicates Z: 8 4.093 2.089 0.556 0.743 1.000 0.571 CB 0.383 8 residues pruned to eliminate duplicates Z: 13 9.093 1.895 0.200 0.368 0.833 0.583 CB 1.596 13 residues pruned to eliminate duplicates Z: 6 3.995 1.563 0.544 0.319 0.800 0.600 N 1.130 Z: 7 7.424 1.584 0.745 0.572 0.833 0.667 CB 1.227 Z: 7 3.982 1.477 0.449 0.513 0.833 0.667 CB 0.900 6 residues pruned to eliminate duplicates Z: 47 27.906 1.847 0.644 0.612 0.935 0.565 CB 1.304 47 residues pruned to eliminate duplicates Z: 13 7.416 1.655 0.302 0.582 0.833 0.667 CA 1.102 13 residues pruned to eliminate duplicates Z: 15 9.495 1.785 0.546 0.792 0.714 0.429 CB 0.996 15 residues pruned to eliminate duplicates Z: 42 29.132 1.868 0.716 0.686 0.927 0.707 CA 1.291 42 residues pruned to eliminate duplicates Z: 10 11.830 1.936 0.550 0.867 0.778 0.667 CA 1.237 10 residues pruned to eliminate duplicates Z: 13 6.755 1.798 0.309 0.358 0.667 0.333 CB 1.449 13 residues pruned to eliminate duplicates Z: 11 26.567 2.275 0.638 0.891 1.000 0.700 CA 1.621 11 residues pruned to eliminate duplicates Z: 41 17.867 1.954 0.313 0.435 0.875 0.600 CB 1.346 41 residues pruned to eliminate duplicates Z: 10 15.359 2.101 1.085 0.602 0.778 0.444 CA 1.364 10 residues pruned to eliminate duplicates Z: 30 22.348 2.090 0.494 0.574 0.897 0.690 CB 1.380 30 residues pruned to eliminate duplicates Z: 6 2.221 1.860 -0.225 0.197 0.800 0.600 CA 1.236 6 residues pruned to eliminate duplicates Z: 16 15.156 1.609 0.591 0.857 0.933 0.867 CB 1.208 16 residues pruned to eliminate duplicates Z: 26 18.615 2.008 0.618 0.543 0.920 0.600 CB 1.194 26 residues pruned to eliminate duplicates Z: 7 5.172 1.504 0.359 0.778 1.000 0.667 CA 0.808 Z: 17 15.640 1.890 0.440 0.886 1.000 0.938 CB 1.036 17 residues pruned to eliminate duplicates Z: 19 44.644 2.305 0.993 0.927 0.944 0.611 CB 1.699 19 residues pruned to eliminate duplicates Z: 17 16.046 1.734 0.454 0.906 1.000 0.812 CA 1.132 18 residues pruned to eliminate duplicates Z: 7 7.911 1.692 0.277 0.600 1.000 1.000 CB 1.358 Z: 6 4.333 1.664 0.225 0.432 0.800 0.400 CB 1.276 Z: 23 9.567 1.974 0.468 0.348 0.727 0.455 CB 1.141 23 residues pruned to eliminate duplicates Z: 33 19.289 1.808 0.495 0.679 0.875 0.625 CB 1.224 23 residues pruned to eliminate duplicates Z: 22 16.109 1.938 0.594 0.495 0.810 0.524 CA 1.412 22 residues pruned to eliminate duplicates 6 1.326 1.126 0.863 0.226 0.600 0.200 CB 0.649 ? Z: 41 29.527 2.111 0.614 0.637 0.875 0.550 CB 1.377 41 residues pruned to eliminate duplicates Z: 15 8.975 1.647 0.551 0.745 0.714 0.357 CB 1.055 15 residues pruned to eliminate duplicates Z: 16 11.069 1.578 0.181 0.805 0.933 0.733 CB 1.259 16 residues pruned to eliminate duplicates Z: 11 7.241 1.934 0.402 0.253 0.800 0.700 CA 1.402 11 residues pruned to eliminate duplicates Z: 12 9.573 1.412 0.262 0.888 1.000 0.818 N 1.167 12 residues pruned to eliminate duplicates Z: 17 18.546 1.834 0.421 0.874 1.000 0.875 CA 1.295 17 residues pruned to eliminate duplicates Z: 14 20.362 1.932 1.076 0.926 1.000 0.154 CB 0.988 Z: 16 11.139 1.829 0.502 0.705 0.867 0.733 CB 1.002 16 residues pruned to eliminate duplicates Z: 28 8.519 1.610 0.316 0.360 0.778 0.481 CB 1.157 28 residues pruned to eliminate duplicates Z: 10 11.481 2.002 0.577 0.446 1.000 0.444 CA 1.282 10 residues pruned to eliminate duplicates Z: 7 3.547 1.458 0.443 0.454 0.833 0.500 CB 0.866 Z: 16 15.246 2.009 0.558 0.420 0.933 0.600 CB 1.466 16 residues pruned to eliminate duplicates Z: 25 25.798 2.169 0.805 0.495 0.958 0.625 CA 1.410 25 residues pruned to eliminate duplicates Z: 46 28.983 2.039 0.662 0.505 0.889 0.533 CB 1.427 46 residues pruned to eliminate duplicates Z: 15 11.489 1.579 0.438 0.900 1.000 0.857 CB 0.966 15 residues pruned to eliminate duplicates Z: 23 19.818 1.991 0.812 0.605 0.955 0.591 CB 1.110 23 residues pruned to eliminate duplicates Z: 8 3.473 1.561 0.356 0.405 0.857 0.714 CB 0.799 8 residues pruned to eliminate duplicates Z: 17 14.216 1.647 0.589 0.796 0.875 0.625 CA 1.197 17 residues pruned to eliminate duplicates Z: 7 15.797 1.824 0.990 0.772 1.000 0.667 CA 1.397 7 residues pruned to eliminate duplicates Z: 9 3.371 1.307 0.292 0.399 1.000 0.750 CB 0.785 Z: 15 8.974 1.662 0.027 0.840 0.929 0.714 CB 1.129 15 residues pruned to eliminate duplicates Z: 28 9.495 1.574 0.437 0.417 0.889 0.481 CB 0.992 32 residues pruned to eliminate duplicates Z: 15 20.856 2.025 0.931 0.937 1.000 0.857 CB 0.992 16 residues pruned to eliminate duplicates Z: 57 24.923 1.820 0.416 0.524 0.929 0.589 CA 1.359 57 residues pruned to eliminate duplicates Z: 12 6.714 1.742 0.347 0.551 0.818 0.545 CB 1.003 12 residues pruned to eliminate duplicates Z: 9 5.807 1.840 0.270 0.423 0.750 0.625 CB 1.268 Z: 16 7.501 1.789 0.397 0.352 0.867 0.400 CB 1.050 16 residues pruned to eliminate duplicates Z: 15 22.116 2.008 1.248 0.936 1.000 0.714 CB 0.912 16 residues pruned to eliminate duplicates Z: 17 16.096 1.823 0.444 0.871 1.000 0.625 CB 1.114 17 residues pruned to eliminate duplicates Z: 12 4.708 1.432 0.531 0.332 0.818 0.455 CB 0.951 Z: 6 13.840 1.872 1.308 0.743 0.800 0.800 CB 1.441 6 residues pruned to eliminate duplicates Z: 20 34.014 2.200 0.560 0.882 1.000 0.789 CB 1.645 20 residues pruned to eliminate duplicates Z: 10 4.630 1.511 0.278 0.456 1.000 0.556 CB 0.836 Z: 25 29.180 2.177 0.706 0.474 1.000 0.625 CA 1.647 25 residues pruned to eliminate duplicates Z: 10 8.985 1.615 0.628 0.689 1.000 0.667 CB 0.958 7 residues pruned to eliminate duplicates Z: 10 5.716 1.390 0.972 0.421 0.667 0.222 N 1.132 10 residues pruned to eliminate duplicates Z: 11 15.160 1.922 0.477 0.842 1.000 0.700 CA 1.258 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 45 44.354 2.251 0.755 0.702 0.932 0.591 CB 1.511 45 residues pruned to eliminate duplicates Z: 62 44.219 2.161 0.698 0.672 0.869 0.623 CA 1.515 62 residues pruned to eliminate duplicates Z: 62 50.092 2.176 0.821 0.682 0.902 0.623 CB 1.519 62 residues pruned to eliminate duplicates Z: 30 18.781 1.967 0.464 0.570 0.828 0.724 CB 1.368 73 residues pruned to eliminate duplicates Z: 20 21.931 2.081 0.580 0.759 0.895 0.737 CB 1.358 20 residues pruned to eliminate duplicates Z: 61 48.197 2.185 0.716 0.682 0.917 0.683 CA 1.532 61 residues pruned to eliminate duplicates Z: 61 44.899 2.185 0.626 0.670 0.917 0.600 CA 1.520 61 residues pruned to eliminate duplicates Z: 46 42.367 2.218 0.604 0.686 0.956 0.622 CA 1.567 46 residues pruned to eliminate duplicates Z: 62 50.161 2.183 0.750 0.679 0.951 0.672 CA 1.500 62 residues pruned to eliminate duplicates Z: 46 42.364 2.208 0.771 0.684 0.911 0.689 CA 1.497 46 residues pruned to eliminate duplicates Z: 45 45.237 2.215 0.803 0.700 0.932 0.727 CB 1.527 45 residues pruned to eliminate duplicates Z: 55 53.619 2.199 0.824 0.750 0.944 0.722 CA 1.541 55 residues pruned to eliminate duplicates Z: 54 60.237 2.239 0.959 0.747 0.962 0.623 CA 1.573 54 residues pruned to eliminate duplicates Z: 46 41.200 2.201 0.783 0.684 0.889 0.600 CB 1.488 46 residues pruned to eliminate duplicates Z: 55 55.881 2.193 0.960 0.759 0.907 0.648 CA 1.548 59 residues pruned to eliminate duplicates Z: 19 29.251 2.103 1.016 0.863 1.000 0.611 CB 1.193 19 residues pruned to eliminate duplicates Z: 53 52.188 2.220 0.899 0.724 0.885 0.596 CA 1.586 53 residues pruned to eliminate duplicates Z: 47 43.313 2.179 0.951 0.683 0.848 0.630 CB 1.499 47 residues pruned to eliminate duplicates Z: 54 56.658 2.245 0.900 0.769 0.925 0.679 CB 1.556 54 residues pruned to eliminate duplicates Z: 19 27.709 1.990 1.113 0.862 1.000 0.389 CB 1.140 19 residues pruned to eliminate duplicates Z: 47 44.243 2.196 0.810 0.676 0.913 0.674 CB 1.529 47 residues pruned to eliminate duplicates Z: 63 46.949 2.108 0.896 0.652 0.887 0.419 CB 1.461 63 residues pruned to eliminate duplicates Z: 54 57.838 2.241 0.881 0.767 0.943 0.623 CB 1.576 54 residues pruned to eliminate duplicates Z: 61 53.302 2.169 1.003 0.671 0.900 0.583 CB 1.503 61 residues pruned to eliminate duplicates Z: 46 45.663 2.193 0.936 0.691 0.911 0.556 CB 1.477 46 residues pruned to eliminate duplicates Z: 63 53.875 2.163 0.955 0.667 0.919 0.629 CB 1.508 63 residues pruned to eliminate duplicates Z: 53 58.298 2.204 1.063 0.728 0.923 0.615 CA 1.568 53 residues pruned to eliminate duplicates Z: 61 50.259 2.190 0.822 0.682 0.900 0.667 CB 1.529 61 residues pruned to eliminate duplicates Z: 46 42.011 2.213 0.783 0.684 0.911 0.622 CB 1.471 46 residues pruned to eliminate duplicates Z: 54 53.684 2.183 0.999 0.753 0.925 0.642 CB 1.459 54 residues pruned to eliminate duplicates Z: 60 55.708 2.211 0.857 0.675 0.966 0.559 CB 1.556 60 residues pruned to eliminate duplicates Z: 56 50.495 2.200 0.878 0.729 0.909 0.491 CB 1.475 56 residues pruned to eliminate duplicates Z: 45 47.731 2.213 1.023 0.698 0.932 0.500 CB 1.440 45 residues pruned to eliminate duplicates Z: 38 55.549 2.280 0.941 0.831 0.946 0.568 CB 1.639 38 residues pruned to eliminate duplicates Z: 54 56.438 2.216 0.883 0.733 0.962 0.604 CA 1.567 54 residues pruned to eliminate duplicates Z: 63 53.428 2.154 0.913 0.659 0.952 0.597 CB 1.492 63 residues pruned to eliminate duplicates Z: 52 57.516 2.246 1.052 0.728 0.922 0.608 CB 1.543 52 residues pruned to eliminate duplicates Z: 48 43.362 2.162 0.846 0.655 0.936 0.596 CB 1.466 39 residues pruned to eliminate duplicates Z: 20 35.980 2.288 0.914 0.850 0.895 0.632 CA 1.560 Z: 15 30.293 2.267 1.022 0.840 0.857 0.357 CA 1.538 15 residues pruned to eliminate duplicates Z: 21 37.696 2.242 0.969 0.783 0.900 0.600 CB 1.653 20 residues pruned to eliminate duplicates Z: 20 43.024 2.332 0.952 0.871 0.947 0.737 CA 1.669 21 residues pruned to eliminate duplicates Z: 14 20.101 1.889 0.802 0.705 1.000 0.538 CA 1.360 Z: 12 24.312 2.037 0.997 0.833 1.000 0.545 CA 1.352 12 residues pruned to eliminate duplicates Z: 11 23.020 2.029 0.839 0.902 1.000 0.600 CA 1.392 11 residues pruned to eliminate duplicates Z: 56 54.796 2.213 0.830 0.734 0.964 0.691 CA 1.534 90 residues pruned to eliminate duplicates Z: 18 22.448 1.958 0.886 0.618 0.941 0.471 CB 1.401 Z: 12 20.079 1.946 0.789 0.924 1.000 0.909 CA 1.221 12 residues pruned to eliminate duplicates Z: 12 25.254 2.003 1.015 0.887 1.000 0.727 CA 1.360 12 residues pruned to eliminate duplicates Z: 12 21.198 1.995 0.834 0.902 0.909 0.545 CA 1.371 12 residues pruned to eliminate duplicates Z: 55 55.610 2.171 0.986 0.734 0.926 0.537 CB 1.536 73 residues pruned to eliminate duplicates Z: 16 20.503 1.969 0.793 0.765 0.933 0.600 CA 1.270 Z: 12 26.407 1.995 1.093 0.901 1.000 0.545 CA 1.361 16 residues pruned to eliminate duplicates Z: 7 3.374 1.379 0.347 0.482 0.667 0.333 CB 1.132 7 residues pruned to eliminate duplicates Z: 18 23.402 2.109 0.554 0.647 1.000 0.647 CA 1.509 18 residues pruned to eliminate duplicates Z: 6 8.227 1.802 0.808 0.640 0.800 0.600 CA 1.239 6 residues pruned to eliminate duplicates Z: 19 18.468 1.985 0.512 0.589 0.944 0.611 CB 1.410 19 residues pruned to eliminate duplicates Z: 9 5.890 1.684 0.579 0.500 0.750 0.500 CB 1.044 9 residues pruned to eliminate duplicates Z: 14 12.541 1.923 0.755 0.575 0.923 0.769 CA 1.039 14 residues pruned to eliminate duplicates Z: 11 16.100 2.169 0.567 0.565 1.000 0.800 CA 1.406 11 residues pruned to eliminate duplicates Z: 20 16.763 2.062 0.681 0.456 0.842 0.474 CA 1.378 20 residues pruned to eliminate duplicates Z: 12 16.867 2.106 0.468 0.571 1.000 0.727 CA 1.535 12 residues pruned to eliminate duplicates Z: 11 13.234 2.184 0.543 0.528 0.900 0.800 CA 1.342 11 residues pruned to eliminate duplicates Z: 12 15.055 2.136 0.444 0.615 0.909 0.636 CA 1.451 12 residues pruned to eliminate duplicates Z: 10 20.091 2.337 0.637 0.596 1.000 0.889 CA 1.597 10 residues pruned to eliminate duplicates Z: 9 16.567 2.336 0.554 0.489 1.000 1.000 CA 1.631 9 residues pruned to eliminate duplicates Z: 22 17.707 2.128 0.543 0.485 0.905 0.571 CA 1.320 22 residues pruned to eliminate duplicates Z: 26 17.459 2.009 0.360 0.472 0.960 0.440 CA 1.370 26 residues pruned to eliminate duplicates Z: 26 22.565 2.037 0.678 0.444 0.920 0.480 CA 1.521 26 residues pruned to eliminate duplicates Z: 61 46.277 2.193 0.718 0.621 0.983 0.633 CA 1.439 61 residues pruned to eliminate duplicates Z: 50 37.179 2.209 0.679 0.572 0.939 0.714 CA 1.423 50 residues pruned to eliminate duplicates Z: 29 22.084 2.034 0.659 0.463 0.893 0.429 CB 1.438 29 residues pruned to eliminate duplicates Z: 27 22.572 2.076 0.667 0.476 0.923 0.731 CA 1.420 27 residues pruned to eliminate duplicates Z: 22 20.322 2.037 0.771 0.479 0.952 0.667 CA 1.317 22 residues pruned to eliminate duplicates Z: 51 36.286 2.157 0.744 0.620 0.920 0.720 CB 1.324 51 residues pruned to eliminate duplicates Z: 52 36.587 2.158 0.770 0.553 0.882 0.608 CA 1.443 52 residues pruned to eliminate duplicates Z: 68 41.427 2.126 0.706 0.593 0.940 0.627 CB 1.358 68 residues pruned to eliminate duplicates Z: 36 22.662 2.041 0.626 0.358 0.943 0.600 CA 1.426 36 residues pruned to eliminate duplicates Z: 41 20.716 1.937 0.722 0.366 0.850 0.525 CB 1.333 41 residues pruned to eliminate duplicates Z: 41 32.459 2.197 0.699 0.553 0.975 0.675 CA 1.339 41 residues pruned to eliminate duplicates Z: 64 38.559 2.161 0.623 0.569 0.937 0.651 CB 1.384 64 residues pruned to eliminate duplicates Z: 29 24.122 2.124 0.740 0.508 0.964 0.571 CA 1.269 29 residues pruned to eliminate duplicates Z: 30 30.326 2.214 0.790 0.583 0.931 0.690 CA 1.410 30 residues pruned to eliminate duplicates Z: 32 25.170 2.135 0.685 0.459 0.968 0.677 CA 1.353 32 residues pruned to eliminate duplicates Z: 16 19.873 2.138 0.906 0.412 1.000 0.600 CA 1.380 16 residues pruned to eliminate duplicates Z: 16 16.410 2.197 0.503 0.720 0.867 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 36 27.591 2.148 0.591 0.603 0.971 0.543 CB 1.274 36 residues pruned to eliminate duplicates Z: 42 32.737 2.160 0.744 0.552 0.927 0.659 CA 1.392 42 residues pruned to eliminate duplicates Z: 63 27.028 1.996 0.521 0.514 0.806 0.468 CB 1.382 63 residues pruned to eliminate duplicates Z: 64 36.287 2.129 0.591 0.557 0.937 0.619 CA 1.364 64 residues pruned to eliminate duplicates Z: 14 26.576 2.293 1.013 0.851 0.923 0.538 CB 1.281 14 residues pruned to eliminate duplicates Z: 39 27.527 2.120 0.576 0.652 0.921 0.632 CB 1.260 39 residues pruned to eliminate duplicates Z: 36 27.728 2.137 0.593 0.615 0.914 0.486 CB 1.350 36 residues pruned to eliminate duplicates Z: 15 23.797 2.245 0.961 0.728 0.786 0.214 CB 1.497 15 residues pruned to eliminate duplicates Z: 25 23.745 2.162 0.635 0.658 0.917 0.583 CB 1.292 25 residues pruned to eliminate duplicates Z: 49 36.962 2.220 0.622 0.570 0.958 0.521 CA 1.445 49 residues pruned to eliminate duplicates Z: 26 24.896 2.173 0.802 0.604 0.840 0.520 CB 1.371 26 residues pruned to eliminate duplicates Z: 34 24.850 2.063 0.739 0.630 0.848 0.606 CB 1.257 34 residues pruned to eliminate duplicates Z: 42 37.604 2.091 0.949 0.693 0.927 0.634 CB 1.304 42 residues pruned to eliminate duplicates Z: 26 16.804 2.012 0.568 0.521 0.840 0.600 CB 1.242 26 residues pruned to eliminate duplicates Z: 37 33.974 2.088 0.886 0.646 0.944 0.444 CB 1.328 37 residues pruned to eliminate duplicates Z: 27 21.862 2.032 0.699 0.614 0.885 0.654 CB 1.260 41 residues pruned to eliminate duplicates Z: 72 36.490 2.082 0.736 0.572 0.887 0.535 CB 1.260 72 residues pruned to eliminate duplicates Z: 32 28.678 2.115 0.785 0.657 0.871 0.484 CB 1.354 32 residues pruned to eliminate duplicates Z: 33 19.302 1.941 0.542 0.539 0.938 0.656 CB 1.170 33 residues pruned to eliminate duplicates Z: 51 40.232 2.188 0.770 0.626 0.940 0.580 CB 1.388 51 residues pruned to eliminate duplicates Z: 12 13.163 1.985 0.764 0.397 0.909 0.545 CA 1.390 12 residues pruned to eliminate duplicates Z: 34 19.482 2.058 0.607 0.482 0.848 0.606 CB 1.230 34 residues pruned to eliminate duplicates Z: 54 26.518 2.038 0.610 0.429 0.868 0.472 CB 1.377 54 residues pruned to eliminate duplicates Z: 56 23.972 2.033 0.513 0.437 0.818 0.564 CB 1.371 56 residues pruned to eliminate duplicates Z: 25 16.943 2.039 0.515 0.436 0.917 0.542 CA 1.305 25 residues pruned to eliminate duplicates Z: 60 23.103 1.995 0.548 0.426 0.814 0.441 CB 1.293 60 residues pruned to eliminate duplicates Z: 33 16.462 2.051 0.569 0.412 0.812 0.500 CB 1.221 33 residues pruned to eliminate duplicates Z: 23 14.509 2.097 0.568 0.472 0.864 0.591 CB 1.120 23 residues pruned to eliminate duplicates Z: 25 15.313 2.029 0.658 0.459 0.875 0.583 CB 1.108 25 residues pruned to eliminate duplicates Z: 82 29.421 1.986 0.487 0.437 0.852 0.519 CB 1.386 82 residues pruned to eliminate duplicates Z: 80 28.883 1.963 0.530 0.452 0.886 0.506 CB 1.283 80 residues pruned to eliminate duplicates Z: 30 14.532 2.055 0.495 0.369 0.862 0.483 CB 1.172 30 residues pruned to eliminate duplicates Z: 44 16.588 1.948 0.405 0.393 0.837 0.535 CB 1.237 44 residues pruned to eliminate duplicates Z: 28 15.055 2.113 0.390 0.399 0.889 0.444 CB 1.235 28 residues pruned to eliminate duplicates Z: 25 13.270 2.030 0.484 0.415 0.875 0.583 CB 1.124 25 residues pruned to eliminate duplicates Z: 58 27.152 2.043 0.534 0.433 0.860 0.509 CB 1.431 58 residues pruned to eliminate duplicates Z: 115 38.017 1.920 0.473 0.542 0.939 0.535 CB 1.287 115 residues pruned to eliminate duplicates Z: 6 3.233 1.944 0.007 0.346 1.000 0.200 CA 0.873 6 residues pruned to eliminate duplicates Z: 50 23.703 1.923 0.457 0.457 0.939 0.571 CB 1.346 50 residues pruned to eliminate duplicates Z: 46 27.386 2.108 0.704 0.489 0.844 0.467 CB 1.360 46 residues pruned to eliminate duplicates Z: 42 18.372 1.969 0.644 0.421 0.805 0.512 CB 1.195 42 residues pruned to eliminate duplicates Z: 86 29.825 1.932 0.556 0.519 0.800 0.529 CB 1.319 86 residues pruned to eliminate duplicates Z: 23 12.779 2.123 0.317 0.501 0.818 0.636 CB 1.190 23 residues pruned to eliminate duplicates Z: 106 39.666 1.911 0.562 0.568 0.895 0.571 CB 1.355 106 residues pruned to eliminate duplicates Z: 102 37.070 1.972 0.489 0.548 0.931 0.604 CB 1.289 102 residues pruned to eliminate duplicates Z: 35 18.003 1.916 0.580 0.386 0.882 0.382 CA 1.305 35 residues pruned to eliminate duplicates Z: 38 23.246 1.971 0.531 0.452 0.919 0.486 CA 1.447 38 residues pruned to eliminate duplicates Z: 38 20.379 1.990 0.432 0.419 0.892 0.486 CA 1.435 38 residues pruned to eliminate duplicates Z: 85 35.545 1.919 0.518 0.534 0.929 0.560 CB 1.386 85 residues pruned to eliminate duplicates Z: 44 24.088 2.032 0.499 0.461 0.930 0.581 CB 1.348 56 residues pruned to eliminate duplicates Z: 28 15.793 1.913 0.508 0.353 0.889 0.333 CB 1.389 28 residues pruned to eliminate duplicates Z: 25 13.338 1.897 0.317 0.358 0.875 0.292 CB 1.453 25 residues pruned to eliminate duplicates Z: 41 23.623 1.947 0.527 0.484 0.900 0.500 CB 1.419 41 residues pruned to eliminate duplicates Z: 36 23.944 2.007 0.607 0.423 0.943 0.400 CB 1.442 36 residues pruned to eliminate duplicates Z: 31 19.934 1.923 0.585 0.454 0.867 0.467 CB 1.445 31 residues pruned to eliminate duplicates Z: 32 14.127 1.852 0.297 0.318 0.935 0.387 CB 1.380 32 residues pruned to eliminate duplicates Z: 37 20.227 1.968 0.426 0.397 0.944 0.500 CA 1.417 37 residues pruned to eliminate duplicates Z: 28 17.119 1.888 0.438 0.431 0.963 0.444 CB 1.354 28 residues pruned to eliminate duplicates Z: 35 17.703 1.815 0.627 0.445 0.824 0.412 CB 1.321 35 residues pruned to eliminate duplicates Z: 19 17.561 2.051 0.394 0.463 0.944 0.556 CB 1.592 19 residues pruned to eliminate duplicates Z: 49 17.194 1.920 0.230 0.399 0.833 0.458 CB 1.404 49 residues pruned to eliminate duplicates Z: 23 19.555 1.959 0.572 0.487 0.955 0.500 CB 1.437 23 residues pruned to eliminate duplicates Z: 82 27.589 1.971 0.491 0.424 0.877 0.469 CB 1.288 82 residues pruned to eliminate duplicates Z: 31 19.822 1.958 0.538 0.441 0.900 0.433 CB 1.419 31 residues pruned to eliminate duplicates Z: 9 4.934 1.651 0.482 0.098 0.875 0.125 CA 1.362 9 residues pruned to eliminate duplicates Z: 10 3.908 1.590 0.386 0.117 0.889 0.111 CB 1.078 10 residues pruned to eliminate duplicates Z: 12 12.512 1.856 0.697 0.301 0.909 0.364 CB 1.645 12 residues pruned to eliminate duplicates Z: 32 23.688 2.018 0.543 0.472 0.968 0.548 CA 1.452 32 residues pruned to eliminate duplicates Z: 70 22.406 1.886 0.375 0.386 0.855 0.464 CB 1.372 70 residues pruned to eliminate duplicates Z: 37 23.060 1.833 0.614 0.665 0.889 0.500 CB 1.254 37 residues pruned to eliminate duplicates Z: 31 20.934 1.978 0.566 0.473 0.900 0.600 CB 1.409 31 residues pruned to eliminate duplicates Z: 113 44.217 2.020 0.587 0.523 0.911 0.580 CB 1.398 113 residues pruned to eliminate duplicates Z: 22 18.587 2.006 0.510 0.481 1.000 0.619 CA 1.364 22 residues pruned to eliminate duplicates Z: 17 14.744 1.985 0.500 0.416 0.938 0.438 CA 1.442 17 residues pruned to eliminate duplicates Z: 84 38.476 1.915 0.583 0.568 0.952 0.494 CA 1.370 84 residues pruned to eliminate duplicates Z: 59 24.746 1.896 0.401 0.507 0.914 0.569 CB 1.330 59 residues pruned to eliminate duplicates Z: 85 38.107 1.896 0.504 0.639 0.929 0.595 CB 1.379 85 residues pruned to eliminate duplicates Z: 62 27.177 1.880 0.391 0.524 0.967 0.574 CA 1.343 62 residues pruned to eliminate duplicates Z: 53 22.875 1.809 0.523 0.503 0.904 0.404 CB 1.270 53 residues pruned to eliminate duplicates Z: 38 23.979 1.889 0.488 0.677 0.919 0.541 CB 1.297 38 residues pruned to eliminate duplicates Z: 93 35.125 1.916 0.464 0.547 0.924 0.587 CB 1.349 93 residues pruned to eliminate duplicates Z: 62 34.174 1.911 0.567 0.605 0.951 0.557 CB 1.391 62 residues pruned to eliminate duplicates Z: 35 22.519 1.875 0.435 0.610 0.941 0.618 CB 1.375 35 residues pruned to eliminate duplicates Z: 29 26.050 1.888 0.607 0.730 1.000 0.679 CB 1.320 29 residues pruned to eliminate duplicates Z: 30 18.234 1.860 0.322 0.659 0.931 0.621 CA 1.276 30 residues pruned to eliminate duplicates Z: 20 15.916 1.825 0.372 0.730 0.947 0.632 CB 1.252 20 residues pruned to eliminate duplicates Z: 56 28.020 1.864 0.460 0.653 0.945 0.564 CB 1.274 56 residues pruned to eliminate duplicates Z: 79 35.260 1.888 0.599 0.583 0.949 0.590 CB 1.288 79 residues pruned to eliminate duplicates Z: 67 32.983 1.876 0.586 0.639 0.955 0.606 CB 1.256 68 residues pruned to eliminate duplicates Z: 17 20.556 1.822 0.678 0.908 1.000 0.750 CB 1.194 17 residues pruned to eliminate duplicates Z: 23 22.793 1.872 0.639 0.768 1.000 0.500 CB 1.249 23 residues pruned to eliminate duplicates Z: 66 30.898 1.929 0.476 0.563 0.923 0.585 CA 1.370 66 residues pruned to eliminate duplicates Z: 42 23.677 1.896 0.474 0.599 0.902 0.634 CB 1.334 42 residues pruned to eliminate duplicates Z: 69 30.193 1.903 0.432 0.514 0.956 0.588 CB 1.386 69 residues pruned to eliminate duplicates Z: 80 36.586 1.903 0.552 0.591 0.949 0.658 CB 1.346 80 residues pruned to eliminate duplicates Z: 65 33.598 1.889 0.672 0.600 0.891 0.516 CB 1.357 65 residues pruned to eliminate duplicates Z: 68 37.276 1.882 0.624 0.654 0.985 0.687 CB 1.310 67 residues pruned to eliminate duplicates Z: 21 16.590 1.736 0.628 0.751 0.950 0.550 CB 1.104 21 residues pruned to eliminate duplicates Z: 94 42.252 1.912 0.615 0.582 0.946 0.548 CB 1.386 94 residues pruned to eliminate duplicates Z: 6 5.319 1.335 0.805 0.435 1.000 0.400 CB 1.056 6 residues pruned to eliminate duplicates Z: 92 35.378 1.886 0.526 0.561 0.901 0.484 CB 1.348 92 residues pruned to eliminate duplicates Z: 119 37.876 1.935 0.485 0.500 0.898 0.508 CB 1.351 119 residues pruned to eliminate duplicates Z: 48 28.899 1.893 0.582 0.626 0.957 0.638 CB 1.306 48 residues pruned to eliminate duplicates Z: 17 13.742 1.768 0.760 0.415 0.875 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 14 16.502 1.886 0.730 0.526 1.000 0.615 CA 1.367 14 residues pruned to eliminate duplicates Z: 68 31.921 1.896 0.537 0.560 0.925 0.612 CB 1.365 68 residues pruned to eliminate duplicates Z: 25 21.260 1.871 0.810 0.571 0.917 0.458 CB 1.305 25 residues pruned to eliminate duplicates Z: 24 14.040 1.819 0.602 0.497 0.783 0.391 CB 1.287 24 residues pruned to eliminate duplicates Z: 38 20.039 1.791 0.424 0.646 0.946 0.622 CB 1.192 38 residues pruned to eliminate duplicates Z: 96 36.672 1.889 0.566 0.562 0.926 0.505 CB 1.293 96 residues pruned to eliminate duplicates Z: 50 29.635 1.828 0.575 0.641 0.980 0.673 CB 1.315 50 residues pruned to eliminate duplicates Z: 6 4.358 1.769 0.755 0.281 0.800 0.600 CA 1.004 6 residues pruned to eliminate duplicates Z: 100 38.030 1.922 0.496 0.543 0.949 0.566 CB 1.341 100 residues pruned to eliminate duplicates Z: 102 36.531 1.895 0.426 0.541 0.960 0.554 CB 1.346 102 residues pruned to eliminate duplicates Z: 102 37.229 1.900 0.505 0.539 0.941 0.604 CB 1.325 102 residues pruned to eliminate duplicates Z: 20 19.306 1.921 0.467 0.665 1.000 0.632 CB 1.349 20 residues pruned to eliminate duplicates Z: 66 33.035 1.863 0.617 0.617 0.985 0.569 CB 1.237 66 residues pruned to eliminate duplicates Z: 67 34.660 1.909 0.612 0.603 0.939 0.530 CB 1.337 67 residues pruned to eliminate duplicates Z: 47 25.671 1.846 0.523 0.581 0.935 0.609 CB 1.332 47 residues pruned to eliminate duplicates Z: 91 39.001 1.863 0.638 0.596 0.933 0.578 CB 1.317 91 residues pruned to eliminate duplicates Z: 17 14.281 1.804 0.326 0.856 1.000 0.875 CA 1.100 17 residues pruned to eliminate duplicates Z: 87 37.363 1.869 0.613 0.564 0.953 0.593 CB 1.318 87 residues pruned to eliminate duplicates Z: 17 15.207 1.833 0.438 0.842 0.938 0.750 CA 1.147 17 residues pruned to eliminate duplicates Z: 52 26.433 1.858 0.656 0.539 0.882 0.510 CB 1.312 52 residues pruned to eliminate duplicates Z: 45 27.217 1.896 0.598 0.591 0.909 0.659 CB 1.366 45 residues pruned to eliminate duplicates Z: 43 17.378 1.722 0.580 0.422 0.881 0.476 CB 1.213 43 residues pruned to eliminate duplicates Z: 33 25.050 1.855 0.666 0.646 0.938 0.625 CB 1.334 33 residues pruned to eliminate duplicates Z: 11 12.469 1.723 0.744 0.617 0.900 0.600 CA 1.305 11 residues pruned to eliminate duplicates Z: 97 33.119 1.880 0.494 0.493 0.885 0.521 CB 1.368 97 residues pruned to eliminate duplicates Z: 23 19.617 1.839 0.665 0.643 0.955 0.591 CB 1.252 23 residues pruned to eliminate duplicates Z: 23 19.463 1.815 0.571 0.621 1.000 0.545 CB 1.298 23 residues pruned to eliminate duplicates Z: 10 12.758 1.838 0.552 0.699 1.000 0.667 CB 1.243 11 residues pruned to eliminate duplicates Z: 9 14.761 1.832 0.822 0.796 1.000 0.750 CB 1.206 9 residues pruned to eliminate duplicates Z: 8 12.759 1.813 0.721 0.919 1.000 0.714 CB 1.089 8 residues pruned to eliminate duplicates Z: 39 26.805 1.860 0.593 0.642 0.974 0.553 CB 1.320 39 residues pruned to eliminate duplicates Z: 35 20.503 1.805 0.712 0.595 0.853 0.706 CB 1.219 35 residues pruned to eliminate duplicates Z: 45 29.499 1.888 0.712 0.607 0.955 0.591 CB 1.302 45 residues pruned to eliminate duplicates Z: 9 9.826 1.689 0.806 0.758 0.875 0.625 CB 1.034 9 residues pruned to eliminate duplicates Z: 57 29.056 1.790 0.754 0.564 0.911 0.554 CB 1.277 57 residues pruned to eliminate duplicates Z: 8 5.330 1.807 0.094 0.453 0.857 0.429 CB 1.249 8 residues pruned to eliminate duplicates Z: 9 7.510 1.840 0.300 0.500 0.875 0.625 CB 1.269 9 residues pruned to eliminate duplicates Z: 15 8.844 1.691 0.296 0.399 0.929 0.571 CA 1.292 15 residues pruned to eliminate duplicates Z: 14 6.907 1.627 0.222 0.489 0.846 0.538 CB 1.151 14 residues pruned to eliminate duplicates Z: 16 7.967 1.589 0.221 0.441 0.867 0.533 CB 1.300 16 residues pruned to eliminate duplicates Z: 14 6.755 1.649 0.190 0.440 0.846 0.538 CB 1.201 14 residues pruned to eliminate duplicates Z: 13 9.943 1.757 0.470 0.489 0.917 0.667 CB 1.225 13 residues pruned to eliminate duplicates Z: 11 8.495 1.737 0.356 0.587 0.900 0.600 CB 1.166 11 residues pruned to eliminate duplicates Z: 13 8.195 1.646 0.254 0.499 0.917 0.750 CA 1.252 13 residues pruned to eliminate duplicates Z: 14 14.980 1.932 0.826 0.522 0.846 0.692 CA 1.362 14 residues pruned to eliminate duplicates Z: 13 17.853 2.042 0.613 0.606 0.917 0.750 CA 1.544 13 residues pruned to eliminate duplicates Z: 22 14.936 1.877 0.742 0.589 0.810 0.714 CB 1.131 22 residues pruned to eliminate duplicates Z: 24 19.901 1.998 0.662 0.541 1.000 0.652 CB 1.200 24 residues pruned to eliminate duplicates Z: 24 15.930 1.919 0.799 0.532 0.783 0.609 CB 1.192 24 residues pruned to eliminate duplicates Z: 13 15.908 2.034 0.606 0.595 0.917 0.583 CA 1.401 13 residues pruned to eliminate duplicates Z: 23 15.407 1.871 0.530 0.464 0.909 0.591 CB 1.309 23 residues pruned to eliminate duplicates Z: 26 15.426 1.927 0.599 0.545 0.880 0.680 CB 1.089 26 residues pruned to eliminate duplicates Z: 23 20.039 1.906 0.775 0.553 0.955 0.682 CB 1.256 15 residues pruned to eliminate duplicates Z: 6 5.141 1.594 0.585 0.414 1.000 0.800 CA 0.995 6 residues pruned to eliminate duplicates Z: 24 22.792 2.020 0.741 0.610 1.000 0.739 CB 1.218 24 residues pruned to eliminate duplicates Z: 29 20.756 1.847 0.432 0.763 0.929 0.857 CA 1.264 29 residues pruned to eliminate duplicates Z: 30 19.158 1.801 0.450 0.742 0.897 0.828 CB 1.224 30 residues pruned to eliminate duplicates Z: 29 19.199 1.825 0.499 0.722 0.893 0.679 CB 1.215 29 residues pruned to eliminate duplicates Z: 29 20.085 1.795 0.572 0.719 0.929 0.643 CB 1.188 29 residues pruned to eliminate duplicates Z: 28 21.491 1.830 0.552 0.702 0.963 0.741 CB 1.258 28 residues pruned to eliminate duplicates Z: 16 10.721 1.760 0.278 0.703 0.800 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 26 21.272 1.831 0.635 0.721 0.920 0.840 CB 1.265 26 residues pruned to eliminate duplicates Z: 29 23.540 1.859 0.662 0.750 0.929 0.714 CB 1.241 29 residues pruned to eliminate duplicates Z: 16 14.801 1.824 0.459 0.929 0.933 0.800 CB 1.077 16 residues pruned to eliminate duplicates Z: 27 19.459 1.831 0.627 0.701 0.923 0.731 CB 1.155 27 residues pruned to eliminate duplicates Z: 30 23.492 1.826 0.706 0.708 0.966 0.690 CB 1.200 30 residues pruned to eliminate duplicates Z: 27 17.959 1.821 0.649 0.697 0.923 0.731 CB 1.061 27 residues pruned to eliminate duplicates Z: 30 19.482 1.814 0.599 0.739 0.897 0.724 CB 1.123 30 residues pruned to eliminate duplicates Z: 28 21.156 1.819 0.655 0.724 0.889 0.630 CB 1.243 28 residues pruned to eliminate duplicates Z: 28 21.874 1.811 0.639 0.688 0.926 0.667 CB 1.290 28 residues pruned to eliminate duplicates Z: 29 23.091 1.818 0.631 0.739 0.929 0.714 CB 1.279 29 residues pruned to eliminate duplicates Z: 28 21.987 1.830 0.658 0.725 0.926 0.667 CB 1.229 28 residues pruned to eliminate duplicates Z: 28 17.045 1.812 0.458 0.664 0.852 0.704 CB 1.252 28 residues pruned to eliminate duplicates Z: 12 13.076 1.905 0.725 0.569 0.909 0.727 CA 1.234 12 residues pruned to eliminate duplicates Z: 28 21.613 1.847 0.648 0.715 0.963 0.815 CB 1.168 28 residues pruned to eliminate duplicates Z: 28 24.021 1.858 0.767 0.757 0.926 0.593 CB 1.210 28 residues pruned to eliminate duplicates Z: 28 17.770 1.818 0.490 0.717 0.889 0.815 CB 1.167 28 residues pruned to eliminate duplicates Z: 30 19.689 1.789 0.593 0.708 0.931 0.724 CB 1.141 30 residues pruned to eliminate duplicates Z: 28 20.203 1.817 0.651 0.698 0.926 0.556 CB 1.169 28 residues pruned to eliminate duplicates Z: 30 21.411 1.817 0.615 0.743 0.931 0.586 CB 1.171 30 residues pruned to eliminate duplicates Z: 12 13.779 1.873 0.884 0.575 0.909 0.727 CA 1.204 12 residues pruned to eliminate duplicates Z: 6 7.522 1.831 0.307 0.712 1.000 0.600 CB 1.160 Z: 6 10.686 2.108 0.468 0.574 1.000 0.600 CB 1.438 6 residues pruned to eliminate duplicates Z: 17 9.079 1.903 0.202 0.394 0.875 0.438 CA 1.269 17 residues pruned to eliminate duplicates Z: 18 11.556 1.854 0.378 0.378 0.941 0.353 CB 1.328 18 residues pruned to eliminate duplicates Z: 20 9.821 1.866 0.501 0.343 0.737 0.421 CA 1.295 20 residues pruned to eliminate duplicates Z: 45 12.752 1.849 0.506 0.215 0.795 0.409 CB 1.213 45 residues pruned to eliminate duplicates Z: 18 9.994 1.837 0.612 0.385 0.824 0.412 CB 1.123 18 residues pruned to eliminate duplicates Z: 18 9.534 1.946 0.213 0.346 0.882 0.471 CB 1.312 18 residues pruned to eliminate duplicates Z: 35 14.666 1.768 0.464 0.345 0.941 0.500 CB 1.222 35 residues pruned to eliminate duplicates Z: 26 10.151 1.779 0.302 0.325 0.880 0.360 CB 1.208 26 residues pruned to eliminate duplicates Z: 25 12.131 1.838 0.341 0.407 0.958 0.625 CB 1.156 25 residues pruned to eliminate duplicates Z: 39 15.104 1.804 0.425 0.443 0.895 0.526 CB 1.130 39 residues pruned to eliminate duplicates Z: 23 11.458 1.834 0.624 0.306 0.818 0.364 CB 1.244 23 residues pruned to eliminate duplicates Z: 37 17.617 1.777 0.614 0.407 0.917 0.500 CB 1.231 37 residues pruned to eliminate duplicates Z: 33 16.024 1.805 0.690 0.339 0.906 0.406 CB 1.222 33 residues pruned to eliminate duplicates Z: 33 13.736 1.801 0.556 0.301 0.906 0.531 CB 1.194 33 residues pruned to eliminate duplicates Z: 34 14.481 1.818 0.427 0.301 0.970 0.515 CB 1.251 34 residues pruned to eliminate duplicates Z: 30 15.189 1.838 0.537 0.329 0.931 0.552 CB 1.293 30 residues pruned to eliminate duplicates Z: 31 13.118 1.803 0.455 0.335 0.900 0.533 CB 1.214 31 residues pruned to eliminate duplicates Z: 28 11.967 1.813 0.556 0.286 0.926 0.519 CB 1.123 28 residues pruned to eliminate duplicates Z: 15 7.872 1.673 0.627 0.530 0.786 0.500 CB 0.955 15 residues pruned to eliminate duplicates Z: 14 9.851 1.667 0.589 0.499 0.923 0.538 CB 1.118 14 residues pruned to eliminate duplicates Z: 18 7.035 1.698 0.587 0.422 0.706 0.412 CB 0.973 18 residues pruned to eliminate duplicates Z: 13 6.838 1.676 0.567 0.608 0.833 0.583 CB 0.814 13 residues pruned to eliminate duplicates Z: 58 16.992 1.713 0.501 0.448 0.842 0.632 CB 1.097 58 residues pruned to eliminate duplicates Z: 24 12.205 1.616 0.343 0.557 0.957 0.652 CB 1.159 24 residues pruned to eliminate duplicates Z: 27 14.326 1.679 0.346 0.673 0.923 0.731 CB 1.149 27 residues pruned to eliminate duplicates Z: 25 10.053 1.611 0.383 0.484 0.917 0.667 CB 1.021 25 residues pruned to eliminate duplicates Z: 14 8.351 1.617 0.112 0.608 1.000 0.692 CB 1.162 14 residues pruned to eliminate duplicates Z: 15 11.923 1.682 0.207 0.791 0.929 0.929 CB 1.309 15 residues pruned to eliminate duplicates Z: 30 10.483 1.577 0.328 0.471 0.862 0.586 CB 1.111 30 residues pruned to eliminate duplicates Z: 19 9.773 1.544 0.019 0.709 0.944 0.833 O 1.282 19 residues pruned to eliminate duplicates Z: 24 12.381 1.672 0.199 0.586 0.957 0.609 CB 1.239 24 residues pruned to eliminate duplicates Z: 14 9.597 1.633 0.105 0.766 1.000 0.769 CA 1.165 14 residues pruned to eliminate duplicates Z: 16 10.716 1.701 0.033 0.790 1.000 0.933 CB 1.220 16 residues pruned to eliminate duplicates Z: 15 11.746 1.678 0.210 0.795 1.000 0.929 CB 1.193 15 residues pruned to eliminate duplicates Z: 29 15.359 1.691 0.404 0.590 0.929 0.643 CB 1.208 29 residues pruned to eliminate duplicates Z: 18 10.526 1.589 0.405 0.673 0.882 0.706 CB 1.105 18 residues pruned to eliminate duplicates Z: 29 12.718 1.649 0.270 0.602 0.893 0.607 CB 1.166 29 residues pruned to eliminate duplicates Z: 13 10.652 1.744 0.664 0.893 0.917 0.750 CB 0.830 13 residues pruned to eliminate duplicates Z: 10 11.620 1.816 0.688 0.707 1.000 0.667 CB 1.048 10 residues pruned to eliminate duplicates Z: 13 13.923 1.772 0.766 0.923 1.000 0.917 CB 0.903 13 residues pruned to eliminate duplicates Z: 13 13.911 1.777 0.886 0.926 0.917 0.917 CB 0.917 13 residues pruned to eliminate duplicates Z: 12 10.415 1.723 0.564 0.643 1.000 0.545 CB 1.019 12 residues pruned to eliminate duplicates Z: 13 12.297 1.759 0.832 0.910 0.917 0.583 CB 0.852 13 residues pruned to eliminate duplicates Z: 15 11.777 1.721 0.770 0.777 0.857 0.500 CB 0.944 15 residues pruned to eliminate duplicates Z: 13 12.344 1.772 0.813 0.918 0.917 0.583 CB 0.853 13 residues pruned to eliminate duplicates Z: 12 13.196 1.770 1.075 0.923 0.909 0.545 CB 0.837 12 residues pruned to eliminate duplicates Z: 14 12.190 1.742 0.911 0.845 0.923 0.538 CB 0.818 14 residues pruned to eliminate duplicates Z: 17 12.384 1.653 0.932 0.828 1.000 0.750 CB 0.730 17 residues pruned to eliminate duplicates Z: 16 13.868 1.681 0.919 0.834 1.000 0.600 CB 0.832 16 residues pruned to eliminate duplicates Z: 28 16.438 1.623 0.712 0.687 0.963 0.741 CB 0.995 28 residues pruned to eliminate duplicates Z: 28 17.656 1.684 0.842 0.710 0.963 0.630 CB 0.940 28 residues pruned to eliminate duplicates Z: 20 8.723 1.595 0.722 0.418 0.842 0.579 CB 0.942 21 residues pruned to eliminate duplicates Z: 7 6.103 1.544 0.561 0.482 0.833 0.500 C 1.264 7 residues pruned to eliminate duplicates Z: 11 11.060 1.729 0.616 0.574 0.900 0.700 CA 1.295 11 residues pruned to eliminate duplicates Z: 12 13.000 1.729 0.626 0.667 0.909 0.636 CA 1.314 12 residues pruned to eliminate duplicates Z: 10 12.590 1.829 0.822 0.682 0.889 0.778 CB 1.198 10 residues pruned to eliminate duplicates Z: 14 15.350 1.664 0.828 0.657 0.923 0.692 CB 1.310 13 residues pruned to eliminate duplicates Z: 8 8.431 1.626 0.552 0.423 1.000 0.714 CB 1.367 Z: 8 16.515 1.874 1.256 0.546 1.000 0.429 CA 1.412 8 residues pruned to eliminate duplicates Z: 28 21.298 2.057 0.576 0.438 0.889 0.444 CB 1.517 36 residues pruned to eliminate duplicates Z: 11 9.470 1.924 0.407 0.361 0.800 0.400 CA 1.606 11 residues pruned to eliminate duplicates Z: 65 33.344 2.099 0.532 0.568 0.859 0.594 CB 1.412 65 residues pruned to eliminate duplicates Z: 32 34.779 2.147 0.931 0.595 0.903 0.548 CA 1.523 32 residues pruned to eliminate duplicates Z: 24 15.508 2.015 0.738 0.268 0.783 0.522 CA 1.536 24 residues pruned to eliminate duplicates Z: 54 34.306 2.104 0.625 0.512 0.906 0.604 CB 1.503 54 residues pruned to eliminate duplicates Z: 24 13.933 1.906 0.481 0.334 0.913 0.522 CB 1.351 24 residues pruned to eliminate duplicates Z: 37 20.557 2.053 0.420 0.419 0.944 0.556 CB 1.354 37 residues pruned to eliminate duplicates Z: 19 16.561 2.037 0.577 0.362 0.944 0.500 CA 1.494 19 residues pruned to eliminate duplicates Z: 49 32.778 2.081 0.726 0.529 0.896 0.583 CB 1.428 49 residues pruned to eliminate duplicates Z: 29 25.647 2.107 0.861 0.528 0.821 0.536 CB 1.464 29 residues pruned to eliminate duplicates Z: 51 33.364 2.108 0.699 0.536 0.900 0.500 CB 1.413 51 residues pruned to eliminate duplicates Z: 66 32.801 2.085 0.513 0.541 0.908 0.631 CB 1.364 66 residues pruned to eliminate duplicates Z: 32 31.696 2.158 0.748 0.561 0.935 0.645 CB 1.521 32 residues pruned to eliminate duplicates Z: 32 24.069 2.138 0.670 0.529 0.806 0.548 CB 1.460 32 residues pruned to eliminate duplicates Z: 65 35.128 2.097 0.634 0.552 0.875 0.609 CB 1.392 65 residues pruned to eliminate duplicates Z: 54 33.246 2.117 0.654 0.522 0.849 0.547 CB 1.503 54 residues pruned to eliminate duplicates Z: 48 30.967 2.093 0.520 0.617 0.936 0.553 CB 1.358 48 residues pruned to eliminate duplicates Z: 60 28.376 2.000 0.615 0.473 0.847 0.508 CB 1.387 60 residues pruned to eliminate duplicates Z: 15 24.851 1.978 1.226 0.794 0.857 0.429 CB 1.360 15 residues pruned to eliminate duplicates Z: 79 34.849 2.092 0.564 0.546 0.833 0.513 CB 1.384 79 residues pruned to eliminate duplicates Z: 27 22.381 2.059 0.816 0.511 0.808 0.231 CB 1.438 27 residues pruned to eliminate duplicates Z: 58 32.568 2.082 0.595 0.542 0.877 0.421 CB 1.421 58 residues pruned to eliminate duplicates Z: 46 30.671 2.074 0.570 0.616 0.933 0.533 CB 1.348 46 residues pruned to eliminate duplicates Z: 17 25.755 2.135 0.852 0.702 0.875 0.375 CB 1.548 17 residues pruned to eliminate duplicates Z: 46 32.552 2.112 0.489 0.611 0.956 0.578 CB 1.453 46 residues pruned to eliminate duplicates Z: 56 25.442 2.058 0.480 0.508 0.836 0.636 CB 1.336 56 residues pruned to eliminate duplicates Z: 47 24.817 2.070 0.598 0.449 0.826 0.457 CB 1.411 47 residues pruned to eliminate duplicates Z: 40 31.731 2.098 0.513 0.664 0.949 0.538 CA 1.450 40 residues pruned to eliminate duplicates Z: 65 34.145 2.077 0.523 0.555 0.906 0.547 CB 1.411 65 residues pruned to eliminate duplicates Z: 78 37.892 2.114 0.523 0.555 0.896 0.584 CB 1.418 78 residues pruned to eliminate duplicates Z: 78 41.015 2.133 0.477 0.578 0.922 0.519 CB 1.492 78 residues pruned to eliminate duplicates Z: 38 33.543 2.149 0.769 0.657 0.919 0.541 CB 1.365 38 residues pruned to eliminate duplicates Z: 80 42.691 2.113 0.633 0.546 0.924 0.519 CB 1.440 80 residues pruned to eliminate duplicates Z: 28 18.357 2.040 0.583 0.583 0.852 0.593 CB 1.185 28 residues pruned to eliminate duplicates Z: 48 28.953 2.086 0.624 0.593 0.872 0.489 CB 1.308 48 residues pruned to eliminate duplicates Z: 36 39.596 2.183 0.850 0.691 0.943 0.571 CB 1.475 36 residues pruned to eliminate duplicates Z: 36 23.342 2.067 0.626 0.584 0.829 0.600 CB 1.306 36 residues pruned to eliminate duplicates Z: 45 29.351 2.026 0.729 0.588 0.886 0.455 CB 1.310 45 residues pruned to eliminate duplicates Z: 46 34.583 2.106 0.763 0.628 0.844 0.467 CB 1.458 46 residues pruned to eliminate duplicates Z: 80 40.522 2.099 0.656 0.571 0.886 0.519 CB 1.383 80 residues pruned to eliminate duplicates Z: 13 23.294 2.193 1.014 0.773 0.833 0.667 CB 1.435 13 residues pruned to eliminate duplicates Z: 20 21.325 2.179 0.678 0.664 0.895 0.632 CB 1.285 20 residues pruned to eliminate duplicates Z: 26 22.034 2.117 0.607 0.597 0.920 0.640 CB 1.283 26 residues pruned to eliminate duplicates Z: 31 15.395 1.925 0.466 0.519 0.767 0.567 CB 1.275 31 residues pruned to eliminate duplicates Z: 50 30.339 2.060 0.685 0.597 0.898 0.429 CB 1.267 50 residues pruned to eliminate duplicates Z: 46 30.563 2.086 0.634 0.596 0.911 0.467 CB 1.339 46 residues pruned to eliminate duplicates Z: 66 39.447 2.100 0.771 0.554 0.908 0.415 CB 1.374 66 residues pruned to eliminate duplicates Z: 25 23.123 2.052 0.830 0.625 0.917 0.667 CB 1.219 25 residues pruned to eliminate duplicates Z: 22 24.121 2.144 0.777 0.675 0.905 0.476 CB 1.299 22 residues pruned to eliminate duplicates Z: 10 9.518 1.852 0.502 0.422 1.000 0.667 CB 1.237 10 residues pruned to eliminate duplicates Z: 23 18.528 2.014 0.841 0.651 0.864 0.455 CB 1.071 23 residues pruned to eliminate duplicates Z: 46 33.861 2.106 0.775 0.628 0.933 0.467 CB 1.283 46 residues pruned to eliminate duplicates Z: 41 26.417 2.005 0.693 0.570 0.900 0.425 CB 1.279 41 residues pruned to eliminate duplicates Z: 26 20.553 2.067 0.634 0.622 0.880 0.440 CB 1.233 26 residues pruned to eliminate duplicates Z: 67 36.900 2.083 0.715 0.562 0.894 0.530 CB 1.339 67 residues pruned to eliminate duplicates Z: 73 33.113 2.063 0.731 0.541 0.833 0.472 CB 1.260 45 residues pruned to eliminate duplicates Z: 6 2.067 1.511 -0.042 0.252 1.000 0.400 CA 0.849 6 residues pruned to eliminate duplicates Z: 39 18.462 1.928 0.432 0.419 0.921 0.553 CB 1.281 39 residues pruned to eliminate duplicates Z: 21 14.233 1.899 0.421 0.498 0.900 0.450 CB 1.312 21 residues pruned to eliminate duplicates Z: 14 14.991 2.125 0.576 0.494 0.923 0.462 CB 1.352 14 residues pruned to eliminate duplicates Z: 37 19.661 1.982 0.500 0.426 0.889 0.611 CB 1.338 37 residues pruned to eliminate duplicates Z: 20 11.386 1.841 0.639 0.326 0.842 0.632 CB 1.245 17 residues pruned to eliminate duplicates Z: 6 4.505 1.582 0.479 0.362 1.000 0.400 CA 1.000 6 residues pruned to eliminate duplicates Z: 21 11.867 1.867 0.404 0.444 0.900 0.600 CB 1.192 21 residues pruned to eliminate duplicates Z: 38 16.677 1.977 0.342 0.442 0.865 0.595 CB 1.268 27 residues pruned to eliminate duplicates Z: 7 5.417 1.480 0.475 0.496 1.000 0.167 CA 1.016 Z: 20 10.502 1.891 0.164 0.772 0.895 0.789 CB 0.962 20 residues pruned to eliminate duplicates Z: 20 13.581 1.941 0.395 0.754 1.000 0.789 CB 0.917 27 residues pruned to eliminate duplicates Z: 21 13.519 1.861 0.511 0.698 0.950 0.750 CB 0.944 21 residues pruned to eliminate duplicates Z: 33 15.817 1.849 0.480 0.569 0.906 0.531 CB 1.055 30 residues pruned to eliminate duplicates Z: 13 11.765 1.948 0.237 0.865 1.000 0.750 CB 1.033 13 residues pruned to eliminate duplicates Z: 14 17.640 2.028 0.449 0.859 1.000 0.923 CB 1.224 14 residues pruned to eliminate duplicates Z: 15 15.621 1.998 0.707 0.913 1.000 0.857 CB 0.866 15 residues pruned to eliminate duplicates Z: 15 14.957 2.007 0.815 0.886 1.000 0.643 CB 0.792 15 residues pruned to eliminate duplicates Z: 15 17.907 1.913 1.068 0.906 1.000 0.500 CB 0.860 15 residues pruned to eliminate duplicates Z: 15 20.287 2.037 1.096 0.929 1.000 0.357 CB 0.889 15 residues pruned to eliminate duplicates Z: 15 22.041 2.027 1.115 0.895 1.000 0.500 CB 0.985 15 residues pruned to eliminate duplicates Z: 15 17.953 2.041 1.075 0.937 0.929 0.500 CB 0.849 15 residues pruned to eliminate duplicates Z: 14 19.433 2.094 1.050 0.929 1.000 0.538 CB 0.879 14 residues pruned to eliminate duplicates Z: 51 30.799 1.896 0.774 0.597 0.920 0.520 CB 1.283 57 residues pruned to eliminate duplicates Z: 13 17.510 1.943 1.262 0.782 1.000 0.333 CB 0.897 13 residues pruned to eliminate duplicates Z: 35 33.400 1.971 0.853 0.809 0.971 0.471 CB 1.235 47 residues pruned to eliminate duplicates Z: 21 28.820 2.020 0.710 0.866 1.000 0.650 CB 1.365 21 residues pruned to eliminate duplicates Z: 39 30.205 2.012 0.670 0.687 0.895 0.553 CA 1.373 39 residues pruned to eliminate duplicates Z: 42 32.030 1.958 0.696 0.675 0.878 0.634 CA 1.460 42 residues pruned to eliminate duplicates Z: 37 35.005 2.039 0.684 0.722 0.972 0.528 CA 1.430 37 residues pruned to eliminate duplicates Z: 37 36.544 2.038 0.813 0.742 0.917 0.722 CA 1.447 37 residues pruned to eliminate duplicates Z: 38 36.524 2.031 0.735 0.721 0.946 0.405 CA 1.475 38 residues pruned to eliminate duplicates Z: 24 29.647 2.045 0.798 0.723 0.913 0.652 CB 1.506 24 residues pruned to eliminate duplicates Z: 34 31.060 1.965 1.006 0.783 0.909 0.455 CB 1.176 34 residues pruned to eliminate duplicates Z: 39 25.845 1.979 0.514 0.676 0.842 0.579 CA 1.412 39 residues pruned to eliminate duplicates Z: 37 31.565 2.021 0.605 0.717 0.917 0.500 CA 1.454 37 residues pruned to eliminate duplicates Z: 21 26.679 2.008 0.925 0.777 0.850 0.550 CB 1.423 21 residues pruned to eliminate duplicates Z: 39 32.152 1.957 0.712 0.695 0.921 0.579 CA 1.415 39 residues pruned to eliminate duplicates Z: 25 25.268 2.023 0.742 0.702 0.833 0.583 CB 1.461 25 residues pruned to eliminate duplicates Z: 39 35.506 2.000 0.662 0.721 0.974 0.553 CB 1.458 39 residues pruned to eliminate duplicates Z: 38 37.199 2.012 0.807 0.724 0.919 0.541 CB 1.496 38 residues pruned to eliminate duplicates Z: 34 28.568 1.932 0.862 0.724 0.879 0.424 CB 1.285 34 residues pruned to eliminate duplicates Z: 27 25.030 1.997 0.802 0.674 0.846 0.423 CB 1.373 27 residues pruned to eliminate duplicates Z: 40 29.146 1.963 0.711 0.692 0.846 0.487 CB 1.378 40 residues pruned to eliminate duplicates Z: 39 31.412 1.997 0.601 0.697 0.895 0.579 CA 1.489 39 residues pruned to eliminate duplicates Z: 39 37.520 1.993 0.772 0.725 0.974 0.605 CA 1.445 39 residues pruned to eliminate duplicates Z: 39 28.371 1.990 0.649 0.696 0.868 0.658 CA 1.351 39 residues pruned to eliminate duplicates Z: 56 30.081 1.953 0.569 0.610 0.873 0.600 CB 1.366 56 residues pruned to eliminate duplicates Z: 38 34.490 2.037 0.723 0.729 0.946 0.676 CA 1.390 38 residues pruned to eliminate duplicates Z: 54 37.410 1.964 0.830 0.706 0.906 0.566 CB 1.309 52 residues pruned to eliminate duplicates Z: 13 17.901 1.982 0.482 0.823 1.000 0.833 CA 1.330 15 residues pruned to eliminate duplicates Z: 13 19.305 1.914 0.773 0.820 1.000 0.750 CA 1.244 13 residues pruned to eliminate duplicates Z: 11 17.039 1.927 0.700 0.896 1.000 0.900 CA 1.178 11 residues pruned to eliminate duplicates Z: 17 15.802 1.873 0.731 0.724 0.812 0.562 CA 1.225 17 residues pruned to eliminate duplicates Z: 15 14.340 1.889 0.596 0.725 0.857 0.571 CA 1.211 15 residues pruned to eliminate duplicates Z: 17 15.667 1.901 0.684 0.628 0.875 0.625 CA 1.239 17 residues pruned to eliminate duplicates Z: 12 20.933 1.930 0.998 0.884 0.909 0.545 CA 1.301 12 residues pruned to eliminate duplicates Z: 12 19.479 1.920 0.888 0.897 1.000 0.636 CA 1.160 12 residues pruned to eliminate duplicates Z: 38 32.961 2.047 0.697 0.734 0.946 0.568 CA 1.337 38 residues pruned to eliminate duplicates Z: 38 36.001 2.036 0.855 0.717 0.892 0.622 CA 1.443 38 residues pruned to eliminate duplicates Z: 12 25.177 1.999 1.008 0.811 1.000 0.636 CA 1.442 12 residues pruned to eliminate duplicates 509 residues left after pruning, divided into chains as follows: A: 12 B: 203 C: 27 D: 19 E: 6 F: 29 G: 30 H: 123 I: 53 J: 7 CC for partial structure against native data = 35.64 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.423, Connect. = 0.695 for dens.mod. cycle 1 = 0.300, Contrast = 0.492, Connect. = 0.718 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.588, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.596, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.598, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.603, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.605, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4119 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 771 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 29.727 2.276 0.962 0.883 0.909 0.364 CB 1.596 B: 10 16.194 2.229 0.481 0.659 1.000 0.778 CA 1.411 C: 14 10.662 1.955 0.547 0.363 0.923 0.615 CA 1.226 D: 17 21.627 2.063 0.361 0.907 0.938 0.938 CA 1.461 E: 12 15.700 2.140 0.623 0.465 1.000 0.818 CB 1.412 10 residues pruned to eliminate duplicates F: 13 25.945 2.130 0.830 0.918 0.917 0.833 CB 1.478 G: 20 10.417 2.030 0.327 0.337 0.789 0.579 CB 1.342 14 residues pruned to eliminate duplicates H: 10 12.774 2.152 0.292 0.487 1.000 0.778 CA 1.552 10 residues pruned to eliminate duplicates I: 12 28.080 2.173 0.995 0.916 1.000 0.818 CA 1.380 12 residues pruned to eliminate duplicates J: 12 24.035 2.282 0.629 0.917 1.000 0.727 CA 1.376 K: 15 10.950 1.973 0.652 0.377 0.714 0.571 CA 1.433 17 residues pruned to eliminate duplicates L: 11 9.675 2.028 0.670 0.360 0.900 0.500 CB 1.167 11 residues pruned to eliminate duplicates M: 14 11.744 1.907 0.556 0.474 0.923 0.692 CA 1.221 14 residues pruned to eliminate duplicates N: 12 31.413 2.314 1.028 0.918 1.000 0.545 CA 1.424 12 residues pruned to eliminate duplicates O: 6 10.282 2.091 0.822 0.454 0.800 0.800 N 1.581 P: 14 13.152 2.061 0.540 0.924 1.000 0.846 CB 0.808 Q: 6 5.763 1.868 0.128 0.734 1.000 0.400 CB 0.990 R: 12 19.123 2.041 0.673 0.873 0.909 0.909 CA 1.353 S: 13 18.941 2.177 0.490 0.897 1.000 0.500 CA 1.207 13 residues pruned to eliminate duplicates T: 24 15.638 2.013 0.631 0.481 0.696 0.304 CB 1.456 24 residues pruned to eliminate duplicates U: 14 24.621 2.131 0.579 0.878 1.000 0.769 CB 1.473 13 residues pruned to eliminate duplicates V: 12 9.458 2.004 0.454 0.400 0.909 0.636 CA 1.197 W: 12 11.311 1.904 0.351 0.475 1.000 0.545 CB 1.359 X: 12 30.818 2.266 0.890 0.895 1.000 0.818 CB 1.555 13 residues pruned to eliminate duplicates Y: 7 5.090 1.721 0.331 0.568 1.000 0.500 CA 0.850 Z: 29 10.280 1.821 0.499 0.289 0.786 0.500 CB 1.149 20 residues pruned to eliminate duplicates Z: 13 29.245 2.305 0.799 0.893 1.000 0.750 CB 1.461 12 residues pruned to eliminate duplicates Z: 12 25.011 2.216 0.628 0.937 1.000 1.000 CA 1.455 12 residues pruned to eliminate duplicates Z: 20 12.421 1.972 0.349 0.401 0.789 0.526 CB 1.506 19 residues pruned to eliminate duplicates Z: 18 29.527 2.122 1.193 0.872 0.941 0.471 CB 1.192 18 residues pruned to eliminate duplicates Z: 14 11.388 1.910 0.124 0.922 1.000 0.692 CB 1.035 12 residues pruned to eliminate duplicates Z: 18 27.211 2.152 0.706 0.839 0.941 0.765 CB 1.426 17 residues pruned to eliminate duplicates Z: 18 16.903 2.081 0.397 0.501 0.882 0.706 CA 1.596 12 residues pruned to eliminate duplicates Z: 14 27.809 2.088 0.962 0.890 0.923 0.692 CA 1.467 14 residues pruned to eliminate duplicates Z: 12 13.065 2.018 0.612 0.565 0.909 0.818 CA 1.251 12 residues pruned to eliminate duplicates Z: 35 29.940 2.052 0.599 0.692 0.912 0.647 CA 1.440 Z: 11 11.378 2.108 0.291 0.470 0.900 0.600 CA 1.515 11 residues pruned to eliminate duplicates Z: 13 19.355 1.932 0.854 0.863 0.917 0.750 CA 1.248 13 residues pruned to eliminate duplicates Z: 63 32.064 2.079 0.509 0.536 0.903 0.645 CB 1.386 29 residues pruned to eliminate duplicates Z: 20 19.014 2.024 0.433 0.637 0.895 0.684 CA 1.479 20 residues pruned to eliminate duplicates Z: 11 32.746 2.319 1.154 0.928 1.000 0.700 CA 1.451 11 residues pruned to eliminate duplicates Z: 19 28.555 2.034 0.656 0.922 1.000 0.778 CA 1.406 17 residues pruned to eliminate duplicates Z: 37 14.672 1.957 0.545 0.338 0.806 0.472 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 20.306 2.227 0.273 0.922 1.000 0.833 CA 1.454 13 residues pruned to eliminate duplicates Z: 12 25.082 2.198 1.033 0.936 1.000 0.909 CA 1.178 12 residues pruned to eliminate duplicates Z: 17 18.194 1.915 0.963 0.937 1.000 0.812 CB 0.842 16 residues pruned to eliminate duplicates Z: 12 27.689 2.179 0.887 0.921 1.000 0.909 CA 1.428 12 residues pruned to eliminate duplicates Z: 17 24.781 2.051 0.453 0.923 1.000 0.750 CA 1.461 18 residues pruned to eliminate duplicates Z: 11 31.650 2.370 1.077 0.924 1.000 0.700 CA 1.428 11 residues pruned to eliminate duplicates Z: 12 23.830 2.083 0.803 0.879 1.000 0.636 CA 1.388 12 residues pruned to eliminate duplicates Z: 19 27.516 2.016 0.723 0.917 0.944 0.611 CB 1.396 19 residues pruned to eliminate duplicates Z: 35 24.470 1.847 0.568 0.689 0.941 0.529 CB 1.295 Z: 13 25.672 2.193 0.847 0.913 1.000 0.917 CA 1.295 13 residues pruned to eliminate duplicates Z: 31 16.248 2.107 0.391 0.374 0.867 0.467 CB 1.336 30 residues pruned to eliminate duplicates Z: 14 36.614 2.150 1.079 0.949 1.000 0.923 CA 1.568 13 residues pruned to eliminate duplicates Z: 12 22.963 2.253 0.634 0.908 0.909 0.636 CB 1.470 12 residues pruned to eliminate duplicates Z: 17 31.074 1.993 0.871 0.906 1.000 0.250 CA 1.482 17 residues pruned to eliminate duplicates Z: 12 14.916 1.895 0.617 0.834 1.000 0.727 CA 1.101 12 residues pruned to eliminate duplicates Z: 58 33.300 2.046 0.634 0.511 0.947 0.667 CA 1.377 58 residues pruned to eliminate duplicates Z: 10 13.724 1.794 0.451 0.789 1.000 0.667 CA 1.363 Z: 12 30.661 2.192 1.039 0.923 1.000 0.545 CA 1.454 13 residues pruned to eliminate duplicates Z: 11 20.673 2.085 0.551 0.898 1.000 1.000 CA 1.446 11 residues pruned to eliminate duplicates Z: 41 28.042 2.013 0.849 0.485 0.850 0.600 CB 1.423 34 residues pruned to eliminate duplicates Z: 12 20.199 1.978 0.783 0.897 1.000 0.909 CA 1.236 12 residues pruned to eliminate duplicates Z: 6 7.780 2.047 0.452 0.879 1.000 0.800 CB 0.848 Z: 10 10.523 1.989 0.459 0.904 1.000 0.667 CB 0.861 6 residues pruned to eliminate duplicates Z: 17 20.236 1.848 0.563 0.896 1.000 0.625 CB 1.255 17 residues pruned to eliminate duplicates Z: 19 15.754 1.789 0.667 0.615 0.889 0.556 CB 1.256 Z: 31 31.012 2.133 0.825 0.570 0.900 0.533 CA 1.510 23 residues pruned to eliminate duplicates Z: 12 25.456 2.066 1.026 0.906 0.909 0.545 CA 1.435 12 residues pruned to eliminate duplicates Z: 19 26.518 2.011 0.741 0.895 0.889 0.556 CB 1.439 Z: 18 13.400 2.159 0.431 0.447 0.765 0.647 CB 1.453 18 residues pruned to eliminate duplicates Z: 8 9.437 1.808 0.217 0.893 1.000 1.000 CB 1.163 Z: 9 11.527 1.879 0.254 0.817 1.000 0.875 CB 1.313 9 residues pruned to eliminate duplicates Z: 20 14.994 1.980 0.469 0.517 0.895 0.684 CB 1.300 21 residues pruned to eliminate duplicates Z: 13 9.330 1.783 0.603 0.515 0.833 0.750 CA 1.114 Z: 19 26.660 2.017 0.770 0.872 1.000 0.389 CB 1.283 19 residues pruned to eliminate duplicates Z: 11 8.892 1.984 0.605 0.465 0.600 0.500 CA 1.525 Z: 42 16.930 2.020 0.484 0.375 0.780 0.537 CB 1.291 42 residues pruned to eliminate duplicates Z: 12 28.931 2.223 0.809 0.917 1.000 0.636 CA 1.531 12 residues pruned to eliminate duplicates Z: 12 19.104 1.931 0.908 0.884 0.909 0.636 CA 1.242 12 residues pruned to eliminate duplicates Z: 13 8.474 1.684 0.396 0.582 0.833 0.667 CA 1.154 Z: 19 13.518 2.066 0.379 0.495 0.778 0.611 CB 1.445 19 residues pruned to eliminate duplicates Z: 20 23.743 1.965 0.525 0.929 1.000 0.895 CA 1.272 19 residues pruned to eliminate duplicates Z: 7 8.233 1.825 0.700 0.760 0.667 0.667 CA 1.290 7 residues pruned to eliminate duplicates Z: 19 25.093 1.991 0.691 0.892 0.889 0.722 CA 1.420 20 residues pruned to eliminate duplicates Z: 12 14.170 1.909 0.480 0.873 1.000 0.818 CA 1.101 12 residues pruned to eliminate duplicates Z: 22 12.357 1.933 0.346 0.306 0.857 0.429 CA 1.500 27 residues pruned to eliminate duplicates Z: 21 27.358 1.896 0.748 0.912 0.900 0.650 CB 1.453 20 residues pruned to eliminate duplicates Z: 19 23.525 2.050 0.980 0.764 0.833 0.444 CB 1.297 19 residues pruned to eliminate duplicates Z: 15 14.592 1.742 0.234 0.845 1.000 0.786 CA 1.348 Z: 13 27.944 2.290 0.661 0.886 1.000 0.667 CB 1.530 13 residues pruned to eliminate duplicates Z: 18 11.830 1.860 0.430 0.441 0.824 0.471 CB 1.392 18 residues pruned to eliminate duplicates Z: 16 12.643 1.981 0.770 0.913 0.867 0.467 CB 0.761 16 residues pruned to eliminate duplicates Z: 13 18.838 1.914 0.601 0.856 1.000 0.750 CA 1.308 13 residues pruned to eliminate duplicates Z: 6 7.343 1.776 0.153 0.633 1.000 1.000 CA 1.415 Z: 13 8.791 1.914 0.248 0.445 0.917 0.667 CB 1.227 13 residues pruned to eliminate duplicates Z: 6 4.259 1.510 0.401 0.448 0.800 0.800 CA 1.187 Z: 12 25.561 2.011 1.026 0.914 1.000 0.909 CA 1.338 12 residues pruned to eliminate duplicates Z: 14 24.369 2.145 0.649 0.903 1.000 0.769 CA 1.362 14 residues pruned to eliminate duplicates Z: 29 28.481 2.114 0.790 0.589 0.893 0.607 CB 1.462 29 residues pruned to eliminate duplicates Z: 12 21.642 1.949 1.082 0.866 1.000 0.636 CA 1.177 12 residues pruned to eliminate duplicates Z: 40 16.614 1.980 0.359 0.434 0.846 0.538 CB 1.251 36 residues pruned to eliminate duplicates Z: 19 31.418 2.050 0.790 0.915 0.944 0.611 CA 1.510 20 residues pruned to eliminate duplicates Z: 13 21.458 2.139 0.592 0.906 1.000 0.917 CA 1.294 13 residues pruned to eliminate duplicates Z: 18 31.023 2.029 0.919 0.937 1.000 0.765 CB 1.346 18 residues pruned to eliminate duplicates Z: 18 24.418 2.098 0.656 0.866 0.941 0.941 CA 1.326 18 residues pruned to eliminate duplicates Z: 17 26.810 2.124 0.630 0.701 1.000 0.812 CA 1.612 17 residues pruned to eliminate duplicates Z: 6 12.177 2.085 0.387 0.839 1.000 0.800 CA 1.407 8 residues pruned to eliminate duplicates Z: 13 11.416 1.850 0.583 0.410 0.833 0.500 CB 1.483 13 residues pruned to eliminate duplicates Z: 10 12.183 1.767 0.354 0.810 1.000 0.778 CA 1.297 10 residues pruned to eliminate duplicates Z: 17 21.219 1.867 0.574 0.906 1.000 0.750 CB 1.283 17 residues pruned to eliminate duplicates Z: 12 19.552 2.043 0.667 0.921 1.000 1.000 CA 1.219 12 residues pruned to eliminate duplicates Z: 12 22.613 2.099 0.801 0.868 0.818 0.455 CA 1.612 12 residues pruned to eliminate duplicates Z: 18 29.377 2.062 0.634 0.951 1.000 0.941 CB 1.458 18 residues pruned to eliminate duplicates Z: 18 27.031 2.001 0.641 0.942 1.000 0.706 CB 1.385 18 residues pruned to eliminate duplicates Z: 31 18.665 1.857 0.487 0.583 0.900 0.567 CB 1.266 17 residues pruned to eliminate duplicates Z: 13 20.198 2.103 0.608 0.892 0.917 0.917 CA 1.352 13 residues pruned to eliminate duplicates Z: 68 35.057 2.129 0.590 0.498 0.910 0.433 CB 1.392 60 residues pruned to eliminate duplicates Z: 25 14.319 2.105 0.371 0.444 0.875 0.667 CB 1.227 25 residues pruned to eliminate duplicates Z: 18 27.793 1.929 0.900 0.887 1.000 0.941 CB 1.326 18 residues pruned to eliminate duplicates Z: 21 23.049 1.893 0.606 0.900 0.900 0.700 CA 1.345 21 residues pruned to eliminate duplicates Z: 14 17.666 2.055 0.330 0.906 0.923 0.846 CA 1.381 14 residues pruned to eliminate duplicates Z: 7 8.254 1.658 0.605 0.777 1.000 0.667 CA 0.991 7 residues pruned to eliminate duplicates Z: 13 16.511 2.174 0.551 0.827 0.917 0.750 CA 1.162 13 residues pruned to eliminate duplicates Z: 20 16.187 1.847 0.715 0.550 0.842 0.632 CA 1.326 20 residues pruned to eliminate duplicates Z: 18 15.407 1.734 0.306 0.817 1.000 0.706 CA 1.252 13 residues pruned to eliminate duplicates Z: 16 20.212 2.035 0.664 0.601 0.933 0.533 CA 1.499 16 residues pruned to eliminate duplicates Z: 31 22.016 2.061 0.548 0.497 0.867 0.533 CA 1.457 86 residues pruned to eliminate duplicates Z: 7 5.262 1.694 0.077 0.574 1.000 0.500 CB 1.095 Z: 72 36.380 2.118 0.553 0.541 0.873 0.521 CB 1.443 23 residues pruned to eliminate duplicates Z: 19 27.487 1.980 0.761 0.934 1.000 0.611 CB 1.296 19 residues pruned to eliminate duplicates Z: 19 26.005 2.058 0.613 0.882 0.944 0.778 CA 1.415 19 residues pruned to eliminate duplicates Z: 10 6.767 1.816 -0.119 0.909 1.000 0.889 CB 1.000 9 residues pruned to eliminate duplicates Z: 40 17.862 1.845 0.512 0.412 0.821 0.487 CB 1.371 40 residues pruned to eliminate duplicates Z: 16 12.892 1.756 0.278 0.876 1.000 0.933 CA 1.078 12 residues pruned to eliminate duplicates Z: 15 10.106 1.696 0.466 0.417 0.929 0.571 CB 1.275 13 residues pruned to eliminate duplicates Z: 18 28.769 2.055 0.664 0.944 1.000 0.588 CB 1.413 18 residues pruned to eliminate duplicates Z: 18 27.126 1.941 0.855 0.907 1.000 0.706 CA 1.299 18 residues pruned to eliminate duplicates Z: 10 11.970 1.742 0.169 0.818 1.000 0.889 CA 1.487 11 residues pruned to eliminate duplicates Z: 17 15.770 1.772 0.514 0.888 0.938 0.688 CB 1.129 17 residues pruned to eliminate duplicates Z: 19 9.840 1.844 0.197 0.476 0.944 0.556 CB 1.141 19 residues pruned to eliminate duplicates Z: 23 8.190 1.873 0.342 0.321 0.727 0.455 CB 1.163 23 residues pruned to eliminate duplicates Z: 6 8.426 2.016 0.318 0.752 1.000 0.800 CA 1.133 6 residues pruned to eliminate duplicates Z: 9 6.064 1.837 0.171 0.745 0.625 0.375 CB 1.281 9 residues pruned to eliminate duplicates Z: 39 18.887 1.943 0.566 0.378 0.816 0.395 CB 1.406 39 residues pruned to eliminate duplicates Z: 8 9.049 1.950 0.255 0.754 0.714 0.286 CA 1.560 8 residues pruned to eliminate duplicates Z: 12 16.589 1.912 0.814 0.856 0.909 0.727 CA 1.170 12 residues pruned to eliminate duplicates Z: 13 27.846 2.265 0.744 0.894 1.000 1.000 CB 1.459 13 residues pruned to eliminate duplicates Z: 17 18.426 2.110 0.367 0.648 0.938 0.750 CA 1.484 17 residues pruned to eliminate duplicates Z: 52 35.297 2.012 0.654 0.722 0.941 0.529 CB 1.291 52 residues pruned to eliminate duplicates Z: 12 11.763 1.901 0.249 0.688 0.818 0.636 CB 1.537 12 residues pruned to eliminate duplicates Z: 12 19.751 1.966 0.720 0.889 1.000 0.909 CA 1.267 12 residues pruned to eliminate duplicates Z: 16 35.255 2.085 1.327 0.945 1.000 0.800 CB 1.299 15 residues pruned to eliminate duplicates Z: 32 19.452 1.940 0.604 0.425 0.903 0.484 CB 1.344 32 residues pruned to eliminate duplicates Z: 8 11.768 1.793 0.424 0.898 1.000 0.714 CB 1.246 8 residues pruned to eliminate duplicates Z: 13 12.833 1.879 0.716 0.634 0.750 0.583 CB 1.351 20 residues pruned to eliminate duplicates Z: 8 15.359 1.848 1.183 0.894 1.000 0.714 CB 1.032 8 residues pruned to eliminate duplicates Z: 8 5.840 1.580 0.435 0.424 0.857 0.429 O 1.230 8 residues pruned to eliminate duplicates Z: 9 7.789 1.710 0.388 0.691 0.750 0.250 CA 1.299 9 residues pruned to eliminate duplicates Z: 6 9.107 1.756 0.511 0.872 1.000 0.800 CB 1.119 4 residues pruned to eliminate duplicates Z: 9 9.081 1.770 0.216 0.809 0.875 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 24 14.144 1.778 0.570 0.532 0.913 0.565 CB 1.122 21 residues pruned to eliminate duplicates Z: 12 13.418 1.916 0.754 0.544 0.909 0.636 CA 1.269 12 residues pruned to eliminate duplicates Z: 12 4.186 1.638 0.302 0.268 0.818 0.364 CB 0.943 Z: 14 15.869 2.000 0.385 0.895 0.846 0.692 CA 1.346 14 residues pruned to eliminate duplicates Z: 10 7.908 1.535 0.517 0.751 0.889 0.556 CB 1.018 8 residues pruned to eliminate duplicates Z: 18 29.031 2.116 1.026 0.844 0.941 0.765 CB 1.299 18 residues pruned to eliminate duplicates Z: 11 17.323 2.129 1.117 0.534 0.800 0.600 CB 1.469 11 residues pruned to eliminate duplicates Z: 23 20.753 1.944 0.794 0.620 0.955 0.682 CB 1.187 22 residues pruned to eliminate duplicates Z: 13 29.343 2.309 0.699 0.909 1.000 0.750 CB 1.532 13 residues pruned to eliminate duplicates Z: 19 29.408 1.998 0.829 0.926 1.000 0.889 CB 1.330 19 residues pruned to eliminate duplicates Z: 9 7.611 1.716 0.189 0.700 1.000 0.750 CB 1.098 9 residues pruned to eliminate duplicates Z: 17 14.554 1.800 0.260 0.836 1.000 0.625 CA 1.200 17 residues pruned to eliminate duplicates Z: 10 9.519 1.831 0.321 0.643 0.889 0.556 N 1.291 Z: 6 5.862 1.439 0.281 0.836 1.000 0.800 CA 1.064 Z: 9 6.639 1.808 0.130 0.658 0.875 0.500 CA 1.134 9 residues pruned to eliminate duplicates Z: 21 18.414 1.920 0.624 0.860 0.800 0.450 CB 1.214 21 residues pruned to eliminate duplicates Z: 25 19.024 1.994 0.558 0.581 0.917 0.625 CB 1.262 40 residues pruned to eliminate duplicates Z: 17 14.968 1.780 0.605 0.915 0.938 0.750 CB 0.988 Z: 11 18.359 1.919 1.154 0.803 0.900 0.400 CB 1.197 11 residues pruned to eliminate duplicates Z: 44 37.990 2.064 0.968 0.740 0.930 0.442 CB 1.237 43 residues pruned to eliminate duplicates Z: 17 15.115 1.836 0.210 0.915 1.000 0.875 CB 1.202 17 residues pruned to eliminate duplicates Z: 20 24.585 1.930 0.690 0.901 0.947 0.789 CB 1.303 20 residues pruned to eliminate duplicates Z: 17 24.823 2.163 0.795 0.687 0.938 0.750 CA 1.437 17 residues pruned to eliminate duplicates Z: 9 9.100 1.914 0.707 0.410 0.875 0.500 CB 1.236 Z: 13 14.865 1.864 0.747 0.563 1.000 0.667 CB 1.239 13 residues pruned to eliminate duplicates 6 1.847 2.150 -0.414 0.446 0.800 0.600 CB 0.867 ? Z: 16 18.490 1.810 0.669 0.909 1.000 0.933 CB 1.121 17 residues pruned to eliminate duplicates Z: 22 17.670 2.023 0.482 0.535 0.952 0.476 CB 1.305 22 residues pruned to eliminate duplicates Z: 25 10.985 1.855 0.346 0.368 0.875 0.458 CB 1.183 25 residues pruned to eliminate duplicates Z: 13 22.092 2.114 0.524 0.905 1.000 0.833 CA 1.409 13 residues pruned to eliminate duplicates Z: 9 15.442 2.050 0.854 0.658 1.000 0.875 CA 1.241 9 residues pruned to eliminate duplicates Z: 12 12.392 1.833 0.493 0.545 1.000 0.818 CB 1.307 13 residues pruned to eliminate duplicates Z: 7 6.424 1.754 0.121 0.643 1.000 0.667 CA 1.166 7 residues pruned to eliminate duplicates Z: 12 6.105 1.946 0.187 0.369 0.818 0.455 CA 1.121 12 residues pruned to eliminate duplicates Z: 22 13.613 1.963 0.371 0.479 0.762 0.619 CB 1.480 10 residues pruned to eliminate duplicates Z: 20 28.392 1.948 0.653 0.898 1.000 0.789 CB 1.447 20 residues pruned to eliminate duplicates Z: 10 3.884 1.478 0.979 0.377 0.778 0.444 CB 0.649 Z: 8 15.105 1.844 0.973 0.899 1.000 1.000 CB 1.121 8 residues pruned to eliminate duplicates Z: 12 16.678 2.139 0.782 0.893 1.000 0.636 CB 0.948 12 residues pruned to eliminate duplicates Z: 21 26.761 2.103 0.961 0.700 0.850 0.400 CB 1.423 21 residues pruned to eliminate duplicates Z: 12 13.333 2.017 0.934 0.544 0.818 0.545 CB 1.206 12 residues pruned to eliminate duplicates Z: 18 17.058 1.790 0.529 0.881 1.000 0.647 CB 1.095 18 residues pruned to eliminate duplicates Z: 26 14.367 2.136 0.208 0.458 0.920 0.560 CB 1.264 26 residues pruned to eliminate duplicates Z: 18 12.137 1.978 0.858 0.645 0.765 0.176 CB 0.914 18 residues pruned to eliminate duplicates Z: 7 8.253 1.700 0.578 0.872 0.833 0.833 CA 1.098 7 residues pruned to eliminate duplicates Z: 17 21.150 2.176 0.435 0.608 0.938 0.688 CA 1.629 17 residues pruned to eliminate duplicates Z: 15 20.283 2.059 0.714 0.817 0.857 0.643 CB 1.361 15 residues pruned to eliminate duplicates Z: 12 36.841 2.221 1.270 0.937 1.000 0.545 CA 1.534 12 residues pruned to eliminate duplicates Z: 23 21.925 2.109 0.665 0.465 0.909 0.591 CA 1.518 23 residues pruned to eliminate duplicates Z: 17 15.657 1.836 0.196 0.907 1.000 0.938 CB 1.267 17 residues pruned to eliminate duplicates Z: 13 15.889 1.792 0.282 0.882 1.000 0.750 CB 1.444 13 residues pruned to eliminate duplicates Z: 12 9.552 1.737 0.498 0.640 0.909 0.636 CB 1.068 12 residues pruned to eliminate duplicates Z: 7 4.260 1.775 0.226 0.631 0.667 0.667 CB 1.060 7 residues pruned to eliminate duplicates Z: 14 11.449 1.780 0.111 0.814 1.000 0.692 CA 1.223 14 residues pruned to eliminate duplicates Z: 17 23.816 2.021 0.860 0.705 0.938 0.625 CA 1.403 12 residues pruned to eliminate duplicates Z: 12 36.664 2.222 1.180 0.929 1.000 0.364 CB 1.597 12 residues pruned to eliminate duplicates Z: 21 26.995 1.945 0.934 0.857 0.900 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 24 17.682 1.912 0.595 0.545 0.957 0.652 CB 1.209 24 residues pruned to eliminate duplicates Z: 14 11.100 1.699 0.692 0.905 1.000 1.000 CB 0.762 Z: 12 18.420 2.001 0.735 0.880 0.909 0.818 CA 1.275 12 residues pruned to eliminate duplicates Z: 6 6.619 1.739 0.570 0.287 1.000 0.400 N 1.378 Z: 7 3.771 1.720 0.117 0.550 1.000 0.500 CB 0.763 Z: 14 22.280 2.082 1.223 0.924 1.000 0.692 CB 0.937 14 residues pruned to eliminate duplicates Z: 13 8.595 1.695 0.241 0.694 0.917 0.833 CB 1.078 7 residues pruned to eliminate duplicates Z: 15 20.351 1.893 0.876 0.889 1.000 0.857 CB 1.103 Z: 12 34.317 2.239 1.120 0.929 1.000 0.545 CA 1.525 12 residues pruned to eliminate duplicates Z: 13 15.248 2.079 0.472 0.547 0.917 0.583 CB 1.499 13 residues pruned to eliminate duplicates Z: 61 24.620 1.995 0.559 0.435 0.833 0.517 CB 1.311 61 residues pruned to eliminate duplicates Z: 12 14.925 1.861 0.633 0.901 1.000 0.909 CA 1.057 12 residues pruned to eliminate duplicates Z: 20 9.187 1.666 0.577 0.400 0.789 0.632 CB 1.129 20 residues pruned to eliminate duplicates Z: 20 24.442 1.950 0.612 0.898 1.000 0.737 CA 1.277 20 residues pruned to eliminate duplicates Z: 13 7.692 1.673 0.413 0.280 0.917 0.333 CB 1.313 13 residues pruned to eliminate duplicates Z: 13 10.730 1.758 0.523 0.550 0.917 0.750 CA 1.201 14 residues pruned to eliminate duplicates Z: 38 22.686 2.056 0.523 0.639 0.865 0.622 CB 1.208 53 residues pruned to eliminate duplicates Z: 12 34.744 2.158 1.253 0.918 1.000 0.455 CA 1.519 12 residues pruned to eliminate duplicates Z: 7 4.994 1.631 0.508 0.585 0.667 0.667 CA 1.145 Z: 8 13.179 1.746 0.550 0.881 1.000 1.000 CA 1.332 8 residues pruned to eliminate duplicates Z: 6 4.369 1.776 0.081 0.471 0.800 0.400 C 1.310 Z: 18 27.490 1.972 0.851 0.898 1.000 0.824 CB 1.307 18 residues pruned to eliminate duplicates Z: 20 17.578 2.090 0.643 0.593 0.842 0.474 CB 1.276 29 residues pruned to eliminate duplicates Z: 12 17.680 1.897 0.916 0.895 1.000 0.545 CB 1.051 Z: 16 17.979 1.876 0.392 0.893 1.000 0.867 CB 1.277 16 residues pruned to eliminate duplicates Z: 16 14.241 1.752 0.357 0.906 1.000 0.867 CB 1.100 14 residues pruned to eliminate duplicates Z: 16 15.887 1.978 1.113 0.911 0.933 0.533 CB 0.745 16 residues pruned to eliminate duplicates Z: 27 17.849 2.063 0.561 0.470 0.846 0.615 CB 1.324 27 residues pruned to eliminate duplicates Z: 36 16.654 2.009 0.378 0.437 0.857 0.629 CB 1.266 44 residues pruned to eliminate duplicates Z: 12 19.238 1.860 0.968 0.881 1.000 0.273 CA 1.148 12 residues pruned to eliminate duplicates Z: 18 17.469 1.753 0.510 0.888 1.000 0.882 CA 1.153 18 residues pruned to eliminate duplicates Z: 65 34.615 1.918 0.528 0.635 0.953 0.578 CB 1.365 65 residues pruned to eliminate duplicates Z: 17 16.572 1.771 0.725 0.902 1.000 0.438 CB 0.967 17 residues pruned to eliminate duplicates Z: 10 9.280 1.637 0.471 0.770 0.778 0.444 CB 1.300 11 residues pruned to eliminate duplicates Z: 18 28.471 2.014 0.585 0.928 1.000 0.824 CB 1.515 18 residues pruned to eliminate duplicates Z: 14 15.472 1.777 0.498 0.787 0.923 0.538 CB 1.357 14 residues pruned to eliminate duplicates Z: 18 29.553 2.104 1.076 0.872 0.941 0.765 CB 1.271 18 residues pruned to eliminate duplicates Z: 17 13.363 1.803 0.118 0.898 0.938 0.875 CB 1.265 17 residues pruned to eliminate duplicates Z: 18 11.545 1.755 0.430 0.577 0.882 0.588 CB 1.175 18 residues pruned to eliminate duplicates Z: 22 15.689 2.148 0.436 0.526 0.905 0.619 CB 1.196 22 residues pruned to eliminate duplicates Z: 16 18.068 2.048 0.360 0.669 0.933 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 14 12.987 2.007 0.565 0.930 1.000 1.000 CB 0.802 14 residues pruned to eliminate duplicates Z: 20 25.644 1.864 0.789 0.932 1.000 0.684 CB 1.231 20 residues pruned to eliminate duplicates Z: 37 17.619 2.022 0.394 0.396 0.889 0.556 CA 1.307 37 residues pruned to eliminate duplicates Z: 17 14.278 1.818 0.157 0.905 1.000 0.938 CB 1.207 17 residues pruned to eliminate duplicates Z: 14 16.418 2.113 0.755 0.917 1.000 0.692 CB 0.866 14 residues pruned to eliminate duplicates Z: 12 5.568 1.504 0.641 0.488 0.727 0.545 CB 0.946 Z: 17 13.806 1.754 0.515 0.621 0.938 0.688 CB 1.236 10 residues pruned to eliminate duplicates Z: 6 10.486 1.749 0.577 0.822 1.000 0.800 CB 1.286 Z: 35 17.733 2.015 0.310 0.429 0.882 0.676 CB 1.405 33 residues pruned to eliminate duplicates Z: 33 18.756 1.780 0.374 0.648 0.906 0.562 CB 1.302 30 residues pruned to eliminate duplicates Z: 16 20.052 1.728 0.619 0.868 1.000 0.867 CB 1.353 14 residues pruned to eliminate duplicates Z: 16 21.654 1.822 0.599 0.886 1.000 0.600 CB 1.385 16 residues pruned to eliminate duplicates Z: 20 23.104 1.956 0.678 0.854 0.947 0.842 CA 1.259 20 residues pruned to eliminate duplicates Z: 8 6.560 1.558 0.521 0.425 1.000 0.714 CB 1.131 Z: 60 36.134 2.088 0.644 0.513 0.898 0.525 CB 1.506 60 residues pruned to eliminate duplicates Z: 6 7.731 1.772 0.090 0.682 1.000 0.600 C 1.515 Z: 17 12.900 1.740 0.206 0.890 1.000 0.875 CB 1.106 17 residues pruned to eliminate duplicates Z: 19 24.327 2.053 0.603 0.901 0.889 0.722 CB 1.399 19 residues pruned to eliminate duplicates Z: 17 20.885 1.791 0.746 0.928 1.000 0.562 CB 1.169 17 residues pruned to eliminate duplicates Z: 13 17.853 2.049 0.545 0.791 0.917 0.750 CA 1.376 13 residues pruned to eliminate duplicates Z: 18 17.577 1.867 0.724 0.780 0.941 0.588 CB 1.099 18 residues pruned to eliminate duplicates Z: 17 12.916 1.871 0.443 0.425 0.875 0.625 CB 1.477 17 residues pruned to eliminate duplicates Z: 17 14.828 1.786 0.306 0.850 1.000 1.000 CA 1.177 17 residues pruned to eliminate duplicates Z: 16 17.838 2.067 0.195 0.924 1.000 1.000 CA 1.309 16 residues pruned to eliminate duplicates Z: 6 4.460 1.824 0.000 0.467 0.800 0.600 O 1.413 Z: 16 12.317 1.614 0.347 0.830 1.000 0.600 CB 1.100 16 residues pruned to eliminate duplicates Z: 55 50.658 2.072 1.034 0.770 0.944 0.537 CB 1.364 54 residues pruned to eliminate duplicates Z: 7 2.432 1.322 0.562 0.552 0.833 0.667 CB 0.549 Z: 18 14.870 1.752 0.293 0.849 1.000 0.647 CA 1.179 18 residues pruned to eliminate duplicates Z: 19 28.595 2.067 0.829 0.865 1.000 0.611 CB 1.306 19 residues pruned to eliminate duplicates Z: 19 28.942 2.013 0.681 0.928 1.000 0.833 CB 1.412 19 residues pruned to eliminate duplicates Z: 22 11.612 1.629 0.299 0.552 0.857 0.619 CB 1.328 18 residues pruned to eliminate duplicates Z: 17 18.571 1.803 0.629 0.948 0.938 0.750 CB 1.164 17 residues pruned to eliminate duplicates Z: 9 2.755 1.799 0.238 0.306 0.625 0.500 CB 0.869 7 residues pruned to eliminate duplicates Z: 54 30.602 1.871 0.619 0.617 0.943 0.604 CB 1.317 53 residues pruned to eliminate duplicates Z: 28 12.481 1.877 0.438 0.293 0.815 0.556 CB 1.377 28 residues pruned to eliminate duplicates Z: 17 19.398 1.967 1.016 0.921 0.875 0.688 CB 0.984 17 residues pruned to eliminate duplicates Z: 53 26.067 2.024 0.400 0.548 0.904 0.596 CB 1.345 45 residues pruned to eliminate duplicates Z: 27 20.017 1.973 0.591 0.511 0.923 0.615 CA 1.341 27 residues pruned to eliminate duplicates Z: 72 33.752 2.100 0.507 0.521 0.859 0.549 CB 1.442 72 residues pruned to eliminate duplicates Z: 6 8.402 1.564 0.785 0.633 1.000 1.000 CA 1.188 Z: 8 10.449 1.946 0.420 0.698 0.857 0.429 CA 1.391 8 residues pruned to eliminate duplicates Z: 9 6.357 1.652 0.053 0.554 1.000 0.625 CB 1.226 Z: 17 8.841 1.552 0.587 0.482 0.875 0.562 CB 1.044 17 residues pruned to eliminate duplicates Z: 14 9.943 1.695 0.408 0.909 1.000 0.846 CB 0.820 14 residues pruned to eliminate duplicates Z: 8 5.578 1.429 0.517 0.459 0.857 0.286 CB 1.183 8 residues pruned to eliminate duplicates Z: 9 8.707 1.764 0.089 0.817 1.000 0.875 CA 1.217 9 residues pruned to eliminate duplicates Z: 13 8.638 1.859 0.717 0.922 0.917 0.667 CB 0.599 13 residues pruned to eliminate duplicates Z: 11 8.335 1.779 0.118 0.872 1.000 1.000 CB 0.966 9 residues pruned to eliminate duplicates Z: 9 4.817 1.503 0.276 0.467 1.000 0.375 CB 0.918 Z: 10 7.411 1.761 0.188 0.714 1.000 0.778 CB 0.972 10 residues pruned to eliminate duplicates Z: 31 24.882 2.083 0.508 0.642 0.867 0.467 CB 1.461 31 residues pruned to eliminate duplicates Z: 10 13.318 1.595 0.747 0.861 1.000 0.667 CB 1.170 10 residues pruned to eliminate duplicates Z: 34 17.945 2.070 0.513 0.463 0.848 0.545 CB 1.220 34 residues pruned to eliminate duplicates Z: 8 11.210 1.727 0.807 0.693 0.857 0.429 CA 1.328 Z: 17 11.657 1.791 0.197 0.777 0.875 0.688 CA 1.216 17 residues pruned to eliminate duplicates Z: 14 11.882 1.909 0.608 0.503 0.846 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 8 3.039 1.719 0.676 0.553 0.857 0.714 CB 0.442 Z: 10 4.026 1.457 0.167 0.527 0.889 0.667 CB 0.865 Z: 9 11.549 1.582 0.547 0.865 1.000 0.750 CA 1.222 10 residues pruned to eliminate duplicates Z: 9 7.514 1.782 0.413 0.528 0.875 0.500 CB 1.173 8 residues pruned to eliminate duplicates Z: 6 6.337 1.809 0.142 0.860 1.000 1.000 CA 1.008 6 residues pruned to eliminate duplicates Z: 9 7.934 1.641 0.462 0.728 1.000 0.750 CB 0.953 Z: 10 15.449 2.191 0.736 0.695 0.889 0.667 CB 1.275 10 residues pruned to eliminate duplicates 7 1.893 1.589 -0.063 0.197 0.833 0.500 N 0.894 ? Z: 6 6.418 1.705 1.039 0.747 1.000 0.800 CB 0.662 7 residues pruned to eliminate duplicates Z: 17 12.732 1.675 0.244 0.857 1.000 0.812 CB 1.126 17 residues pruned to eliminate duplicates Z: 17 20.929 2.100 0.450 0.857 0.875 0.812 CA 1.447 17 residues pruned to eliminate duplicates Z: 11 8.900 1.563 0.473 0.785 0.900 0.600 CA 1.057 11 residues pruned to eliminate duplicates Z: 18 24.088 1.942 0.766 0.851 1.000 0.647 CB 1.260 18 residues pruned to eliminate duplicates Z: 19 12.970 1.686 0.366 0.892 0.944 0.722 CB 1.010 19 residues pruned to eliminate duplicates Z: 51 35.833 2.110 0.541 0.649 0.980 0.740 CA 1.385 65 residues pruned to eliminate duplicates Z: 28 21.565 2.078 0.247 0.644 0.963 0.556 CB 1.453 28 residues pruned to eliminate duplicates Z: 17 21.706 2.011 0.510 0.915 0.938 0.812 CB 1.347 17 residues pruned to eliminate duplicates Z: 9 4.065 1.541 0.264 0.367 0.875 0.250 CB 0.973 Z: 43 18.215 1.908 0.360 0.380 0.881 0.500 CB 1.397 43 residues pruned to eliminate duplicates Z: 12 15.391 1.817 0.470 0.863 0.909 0.909 CA 1.403 12 residues pruned to eliminate duplicates Z: 46 20.285 2.033 0.533 0.431 0.800 0.511 CB 1.303 46 residues pruned to eliminate duplicates Z: 9 7.648 1.695 0.460 0.590 0.875 0.625 CA 1.145 9 residues pruned to eliminate duplicates Z: 11 3.218 1.344 0.326 0.381 0.800 0.600 CB 0.810 Z: 15 7.758 2.010 0.139 0.369 0.857 0.571 CA 1.216 15 residues pruned to eliminate duplicates Z: 15 15.067 1.727 0.404 0.827 1.000 0.500 CB 1.252 15 residues pruned to eliminate duplicates Z: 9 16.494 1.941 0.532 0.894 1.000 0.750 CA 1.407 9 residues pruned to eliminate duplicates Z: 15 13.212 1.797 0.565 0.625 0.857 0.429 CB 1.302 15 residues pruned to eliminate duplicates Z: 6 6.069 1.511 0.674 0.821 0.800 0.800 CA 1.015 6 residues pruned to eliminate duplicates Z: 16 13.334 1.681 0.803 0.907 1.000 0.667 CB 0.808 14 residues pruned to eliminate duplicates Z: 15 13.542 1.777 0.527 0.843 1.000 0.714 CB 0.993 Z: 9 11.060 1.899 0.325 0.711 1.000 0.625 CA 1.284 9 residues pruned to eliminate duplicates Z: 6 4.422 1.676 0.323 0.594 0.800 0.600 N 1.020 Z: 15 19.202 1.764 0.748 0.921 1.000 0.357 CB 1.171 15 residues pruned to eliminate duplicates Z: 15 10.927 1.601 0.554 0.915 1.000 1.000 CB 0.830 14 residues pruned to eliminate duplicates Z: 6 4.626 1.740 0.644 0.298 0.800 0.600 O 1.133 Z: 15 12.360 1.806 0.186 0.875 1.000 0.714 CB 1.121 15 residues pruned to eliminate duplicates Z: 20 21.934 1.921 0.764 0.858 0.947 0.474 CB 1.154 20 residues pruned to eliminate duplicates Z: 10 2.405 1.554 0.185 0.225 0.667 0.444 CB 0.901 Z: 8 4.039 1.433 0.392 0.329 0.857 0.429 CA 1.078 Z: 23 20.358 1.830 0.630 0.655 0.955 0.727 CB 1.320 23 residues pruned to eliminate duplicates 6 1.232 1.412 0.017 0.315 0.800 0.400 CB 0.588 ? Z: 14 10.919 1.673 0.744 0.906 0.923 0.923 CB 0.799 14 residues pruned to eliminate duplicates Z: 10 3.487 1.367 0.744 0.353 0.667 0.333 C 0.858 Z: 6 6.395 1.791 0.259 0.844 0.800 0.800 CA 1.180 6 residues pruned to eliminate duplicates Z: 16 14.586 1.855 0.261 0.930 1.000 0.867 CB 1.126 16 residues pruned to eliminate duplicates Z: 16 22.341 2.081 0.745 0.703 1.000 0.533 CA 1.320 16 residues pruned to eliminate duplicates Z: 7 3.789 1.565 0.141 0.758 1.000 0.667 CB 0.688 7 residues pruned to eliminate duplicates Z: 24 20.520 2.054 0.607 0.458 0.913 0.522 CA 1.481 24 residues pruned to eliminate duplicates Z: 12 11.363 1.743 0.648 0.520 0.909 0.727 CA 1.286 12 residues pruned to eliminate duplicates Z: 14 19.048 1.786 0.594 0.878 1.000 0.769 CA 1.347 14 residues pruned to eliminate duplicates Z: 18 13.509 1.923 0.651 0.869 0.941 0.706 CB 0.801 18 residues pruned to eliminate duplicates Z: 11 11.104 1.623 0.411 0.824 0.900 0.500 CB 1.288 11 residues pruned to eliminate duplicates Z: 11 2.967 1.471 0.086 0.218 0.800 0.300 CB 1.023 Z: 8 6.559 1.653 0.072 0.741 1.000 0.857 CB 1.128 8 residues pruned to eliminate duplicates Z: 15 14.783 1.673 0.396 0.801 0.929 0.786 CA 1.401 15 residues pruned to eliminate duplicates Z: 9 3.679 1.640 0.161 0.529 1.000 0.375 CB 0.664 9 residues pruned to eliminate duplicates Z: 7 4.627 1.772 -0.149 0.527 1.000 0.500 CB 1.219 Z: 22 28.404 2.095 0.707 0.811 0.952 0.762 CA 1.389 22 residues pruned to eliminate duplicates Z: 16 8.912 1.844 0.129 0.541 0.800 0.333 CB 1.327 16 residues pruned to eliminate duplicates Z: 39 14.172 1.749 0.472 0.424 0.868 0.474 CB 1.112 39 residues pruned to eliminate duplicates Z: 30 25.689 2.071 0.615 0.589 0.966 0.793 CA 1.357 30 residues pruned to eliminate duplicates Z: 8 3.257 1.323 0.083 0.462 0.857 0.714 CA 1.042 Z: 7 3.072 1.620 0.243 0.352 0.833 0.500 CB 0.876 7 residues pruned to eliminate duplicates Z: 43 22.584 2.060 0.406 0.457 0.929 0.476 CB 1.354 43 residues pruned to eliminate duplicates Z: 17 12.942 1.755 0.311 0.808 0.875 0.562 CA 1.229 17 residues pruned to eliminate duplicates Z: 24 17.675 1.845 0.747 0.545 0.913 0.696 CB 1.198 20 residues pruned to eliminate duplicates Z: 12 19.162 1.904 0.826 0.882 1.000 0.636 CA 1.202 12 residues pruned to eliminate duplicates Z: 11 9.362 1.668 0.436 0.655 1.000 0.800 CB 1.070 11 residues pruned to eliminate duplicates Z: 8 4.347 1.453 0.168 0.533 0.857 0.571 CB 1.093 4 residues pruned to eliminate duplicates 8 1.771 1.605 0.029 0.089 0.857 0.286 CB 0.802 ? Z: 20 19.150 1.926 0.362 0.830 0.895 0.579 CB 1.407 20 residues pruned to eliminate duplicates Z: 18 12.981 1.976 0.514 0.503 0.882 0.588 CB 1.190 18 residues pruned to eliminate duplicates Z: 7 5.106 1.351 0.684 0.388 1.000 0.500 CA 1.033 Z: 16 12.466 1.636 0.772 0.908 1.000 0.667 CB 0.789 16 residues pruned to eliminate duplicates Z: 43 18.816 1.973 0.454 0.426 0.857 0.476 CB 1.274 43 residues pruned to eliminate duplicates Z: 16 19.178 1.716 0.642 0.840 1.000 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 9 5.767 1.627 0.446 0.510 0.750 0.750 CB 1.144 9 residues pruned to eliminate duplicates Z: 19 28.846 2.106 1.035 0.822 0.944 0.667 CB 1.270 19 residues pruned to eliminate duplicates Z: 27 17.626 1.810 0.654 0.682 0.885 0.577 CB 1.105 27 residues pruned to eliminate duplicates Z: 11 26.232 2.137 0.932 0.900 1.000 0.800 CA 1.434 11 residues pruned to eliminate duplicates Z: 7 6.536 1.731 0.446 0.693 0.833 0.833 CB 1.072 7 residues pruned to eliminate duplicates Z: 7 4.226 1.526 0.294 0.475 0.833 0.667 CA 1.075 Z: 9 10.356 1.712 0.414 0.814 0.875 0.750 CB 1.316 9 residues pruned to eliminate duplicates Z: 34 14.795 2.030 0.271 0.398 0.879 0.485 CB 1.266 34 residues pruned to eliminate duplicates Z: 16 19.754 1.807 0.779 0.936 1.000 0.600 CB 1.105 16 residues pruned to eliminate duplicates Z: 15 10.992 1.825 0.250 0.859 0.857 0.571 CB 1.105 15 residues pruned to eliminate duplicates Z: 6 4.387 1.711 0.339 0.778 1.000 0.600 CB 0.670 6 residues pruned to eliminate duplicates Z: 11 20.718 1.984 1.019 0.932 1.000 0.600 CA 1.142 11 residues pruned to eliminate duplicates Z: 17 7.586 1.523 0.641 0.461 0.750 0.375 CA 1.053 24 residues pruned to eliminate duplicates Z: 66 34.131 1.909 0.546 0.644 0.908 0.569 CB 1.382 66 residues pruned to eliminate duplicates Z: 19 22.988 1.975 0.541 0.925 0.944 0.833 CB 1.323 19 residues pruned to eliminate duplicates Z: 13 21.306 1.841 1.264 0.930 1.000 0.417 CB 1.032 15 residues pruned to eliminate duplicates Z: 16 8.997 1.642 0.839 0.355 0.933 0.667 CB 0.964 8 residues pruned to eliminate duplicates Z: 12 5.511 1.499 0.258 0.432 0.818 0.545 N 1.155 9 residues pruned to eliminate duplicates Z: 12 6.021 1.591 0.158 0.430 0.818 0.455 N 1.296 8 residues pruned to eliminate duplicates Z: 12 9.417 1.801 0.637 0.682 0.909 0.818 CB 0.897 5 residues pruned to eliminate duplicates Z: 7 2.821 1.647 0.213 0.264 0.833 0.333 CB 0.905 Z: 10 10.069 1.838 0.491 0.867 0.667 0.667 CB 1.344 10 residues pruned to eliminate duplicates Z: 7 6.887 1.765 0.703 0.478 0.833 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 31 14.172 1.957 0.290 0.441 0.867 0.467 CB 1.256 31 residues pruned to eliminate duplicates Z: 13 13.347 1.751 0.692 0.605 0.917 0.750 CA 1.283 13 residues pruned to eliminate duplicates Z: 10 2.416 1.292 0.077 0.334 0.889 0.222 CB 0.781 Z: 9 18.070 2.305 0.665 0.616 1.000 0.750 CA 1.492 9 residues pruned to eliminate duplicates Z: 10 9.213 1.676 0.604 0.586 0.889 0.556 CB 1.183 9 residues pruned to eliminate duplicates Z: 6 5.784 1.617 0.242 0.744 1.000 0.800 CA 1.035 Z: 6 2.397 1.585 0.690 0.526 0.600 0.400 CB 0.650 Z: 8 5.286 1.543 1.050 0.471 0.857 0.571 N 0.759 Z: 16 14.790 1.778 0.401 0.881 0.933 0.933 CA 1.189 16 residues pruned to eliminate duplicates Z: 14 13.246 1.836 0.627 0.487 0.923 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 38 19.781 1.949 0.423 0.416 0.919 0.432 CB 1.393 38 residues pruned to eliminate duplicates Z: 11 12.326 1.754 0.802 0.459 0.900 0.500 CA 1.430 11 residues pruned to eliminate duplicates Z: 9 8.843 1.828 0.804 0.642 0.750 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 17 11.957 1.750 0.532 0.455 0.875 0.562 CB 1.335 17 residues pruned to eliminate duplicates Z: 6 7.306 1.713 0.633 0.793 0.800 0.800 N 1.129 4 residues pruned to eliminate duplicates Z: 10 3.356 1.376 0.518 0.230 0.889 0.444 CB 0.826 Z: 7 5.554 1.677 0.376 0.675 0.833 0.667 CB 1.003 7 residues pruned to eliminate duplicates Z: 23 11.431 1.756 0.338 0.510 0.909 0.545 CB 1.130 23 residues pruned to eliminate duplicates Z: 6 4.624 1.485 0.605 0.729 0.800 0.800 CA 0.883 6 residues pruned to eliminate duplicates Z: 17 13.909 1.779 0.381 0.898 0.938 0.750 CB 1.080 17 residues pruned to eliminate duplicates Z: 16 16.615 1.736 0.769 0.915 0.933 0.800 CB 1.058 16 residues pruned to eliminate duplicates Z: 13 10.868 1.943 0.223 0.505 0.833 0.583 CB 1.577 13 residues pruned to eliminate duplicates Z: 28 17.764 1.752 0.526 0.714 1.000 0.704 CB 1.053 28 residues pruned to eliminate duplicates Z: 7 4.030 1.886 -0.098 0.251 1.000 0.500 CB 1.288 7 residues pruned to eliminate duplicates Z: 14 12.461 1.773 0.209 0.922 1.000 0.923 CA 1.134 14 residues pruned to eliminate duplicates Z: 14 19.212 1.884 0.944 0.794 0.923 0.385 CB 1.219 14 residues pruned to eliminate duplicates Z: 12 16.708 1.925 0.886 0.812 0.909 0.364 CA 1.164 12 residues pruned to eliminate duplicates Z: 7 4.755 1.700 0.136 0.602 0.833 0.500 N 1.095 7 residues pruned to eliminate duplicates Z: 12 19.622 1.912 0.709 0.889 1.000 0.636 CA 1.304 12 residues pruned to eliminate duplicates Z: 33 18.947 2.022 0.281 0.604 0.938 0.719 CB 1.250 46 residues pruned to eliminate duplicates Z: 17 6.571 1.586 0.691 0.336 0.688 0.500 CA 1.065 Z: 7 3.535 1.658 0.197 0.586 0.667 0.333 CB 1.004 7 residues pruned to eliminate duplicates Z: 16 15.787 1.767 0.392 0.853 1.000 0.600 CB 1.225 16 residues pruned to eliminate duplicates Z: 19 9.588 1.985 0.327 0.387 0.778 0.611 CB 1.243 19 residues pruned to eliminate duplicates Z: 23 13.690 1.911 0.456 0.453 0.727 0.545 CA 1.512 23 residues pruned to eliminate duplicates Z: 8 4.536 1.488 0.431 0.484 0.857 0.714 CB 0.955 8 residues pruned to eliminate duplicates Z: 34 22.015 1.982 0.757 0.484 0.788 0.545 CA 1.420 34 residues pruned to eliminate duplicates Z: 17 15.152 1.983 0.517 0.626 0.875 0.562 CA 1.278 17 residues pruned to eliminate duplicates Z: 7 3.328 1.446 0.501 0.240 0.833 0.500 N 1.014 7 residues pruned to eliminate duplicates Z: 11 10.360 1.696 0.526 0.771 0.900 0.300 CB 1.106 11 residues pruned to eliminate duplicates Z: 39 15.642 1.959 0.299 0.429 0.868 0.579 CB 1.236 39 residues pruned to eliminate duplicates Z: 7 5.055 1.527 0.475 0.765 0.833 0.333 CB 0.869 7 residues pruned to eliminate duplicates Z: 14 22.314 2.177 0.337 0.906 1.000 0.923 CB 1.513 14 residues pruned to eliminate duplicates Z: 12 3.478 1.366 0.724 0.180 0.636 0.545 O 1.030 12 residues pruned to eliminate duplicates Z: 9 6.100 1.432 0.461 0.661 1.000 0.750 CB 0.888 9 residues pruned to eliminate duplicates Z: 33 26.853 2.070 0.832 0.494 0.875 0.625 CA 1.438 33 residues pruned to eliminate duplicates Z: 8 3.202 1.494 0.203 0.780 1.000 0.714 CB 0.526 Z: 8 12.259 2.072 0.463 0.762 1.000 1.000 CA 1.211 8 residues pruned to eliminate duplicates Z: 6 6.357 1.650 0.066 0.661 1.000 0.600 N 1.391 Z: 9 4.634 1.576 -0.072 0.495 1.000 0.500 CB 1.126 9 residues pruned to eliminate duplicates Z: 14 20.885 1.982 0.905 0.839 0.923 0.538 CA 1.242 14 residues pruned to eliminate duplicates Z: 22 5.381 1.612 0.390 0.249 0.667 0.381 CB 1.050 22 residues pruned to eliminate duplicates Z: 17 9.681 1.681 0.399 0.566 0.875 0.375 CB 1.104 17 residues pruned to eliminate duplicates Z: 10 11.412 1.676 0.391 0.849 1.000 0.889 CB 1.209 10 residues pruned to eliminate duplicates Z: 9 4.686 1.354 0.534 0.467 0.875 0.750 CB 0.943 9 residues pruned to eliminate duplicates Z: 22 12.974 1.737 0.241 0.596 1.000 0.571 CB 1.198 31 residues pruned to eliminate duplicates Z: 12 10.206 1.839 0.650 0.397 0.818 0.545 CB 1.383 12 residues pruned to eliminate duplicates Z: 15 8.470 1.533 0.300 0.939 1.000 1.000 CB 0.790 15 residues pruned to eliminate duplicates Z: 19 16.171 2.051 0.539 0.443 0.944 0.556 CA 1.356 19 residues pruned to eliminate duplicates Z: 8 2.231 1.428 0.367 0.175 0.714 0.286 CB 0.896 8 residues pruned to eliminate duplicates Z: 11 19.951 2.023 1.038 0.920 1.000 0.500 CB 1.078 Z: 14 4.953 1.552 0.385 0.307 0.692 0.385 CB 1.144 14 residues pruned to eliminate duplicates Z: 24 21.506 1.941 0.773 0.588 0.957 0.739 CB 1.252 24 residues pruned to eliminate duplicates Z: 9 9.988 1.941 0.278 0.783 1.000 1.000 CB 1.109 9 residues pruned to eliminate duplicates Z: 9 11.602 1.735 0.663 0.700 0.875 0.500 CA 1.354 9 residues pruned to eliminate duplicates Z: 8 4.603 1.518 0.114 0.564 1.000 0.857 CA 0.967 7 residues pruned to eliminate duplicates Z: 12 24.254 2.169 0.820 0.924 1.000 0.545 CA 1.301 12 residues pruned to eliminate duplicates Z: 29 22.517 1.840 0.731 0.742 0.964 0.536 CB 1.115 30 residues pruned to eliminate duplicates Z: 7 6.985 1.572 0.589 0.694 1.000 0.833 CB 0.956 Z: 6 6.593 1.552 0.967 0.633 1.000 0.800 CB 0.852 Z: 20 13.442 1.745 0.312 0.625 1.000 0.632 CB 1.197 20 residues pruned to eliminate duplicates Z: 13 5.378 1.499 0.132 0.421 0.917 0.667 CB 1.084 13 residues pruned to eliminate duplicates 6 1.458 1.330 0.178 0.364 0.600 0.400 C 0.803 ? Z: 30 13.850 1.878 0.320 0.432 0.862 0.655 CB 1.291 30 residues pruned to eliminate duplicates Z: 6 3.712 1.372 0.407 0.633 1.000 0.600 CB 0.759 Z: 27 20.441 2.014 0.469 0.617 0.923 0.654 CA 1.314 27 residues pruned to eliminate duplicates Z: 6 6.443 1.654 0.642 0.646 1.000 0.800 CB 0.925 5 residues pruned to eliminate duplicates Z: 20 21.471 1.943 0.630 0.778 0.947 0.737 CA 1.284 20 residues pruned to eliminate duplicates Z: 10 4.604 1.615 0.781 0.255 0.667 0.333 CB 1.059 10 residues pruned to eliminate duplicates Z: 7 4.631 1.560 0.714 0.471 0.833 0.667 CB 0.874 Z: 13 14.989 2.102 0.540 0.417 1.000 0.667 CA 1.457 13 residues pruned to eliminate duplicates 6 0.819 1.297 0.272 0.387 0.400 0.400 CA 0.626 ? Z: 21 15.454 1.964 0.241 0.584 0.950 0.650 CA 1.377 21 residues pruned to eliminate duplicates Z: 17 8.627 1.684 0.701 0.377 0.875 0.312 CB 0.981 17 residues pruned to eliminate duplicates 8 1.852 1.217 0.084 0.441 0.714 0.571 N 0.789 ? Using tripeptides from previous cycle as seeds Z: 13 21.627 1.941 1.028 0.789 0.917 0.583 CA 1.343 13 residues pruned to eliminate duplicates Z: 12 20.068 2.154 0.783 0.748 0.909 0.636 CA 1.388 12 residues pruned to eliminate duplicates Z: 14 25.485 2.140 0.842 0.764 1.000 0.769 CA 1.418 14 residues pruned to eliminate duplicates Z: 17 22.997 1.986 0.778 0.657 1.000 0.438 CA 1.408 17 residues pruned to eliminate duplicates Z: 14 28.711 2.116 0.971 0.767 1.000 0.538 CA 1.507 14 residues pruned to eliminate duplicates Z: 13 23.690 1.931 0.939 0.866 1.000 0.667 CA 1.337 13 residues pruned to eliminate duplicates Z: 12 24.113 2.174 0.880 0.777 0.909 0.727 CA 1.532 12 residues pruned to eliminate duplicates Z: 14 23.432 2.133 0.808 0.746 0.923 0.615 CA 1.465 14 residues pruned to eliminate duplicates Z: 12 29.517 2.188 0.998 0.828 1.000 0.545 CA 1.534 12 residues pruned to eliminate duplicates Z: 13 25.852 2.081 0.920 0.764 1.000 0.833 CA 1.477 13 residues pruned to eliminate duplicates Z: 49 33.649 2.043 0.623 0.639 0.917 0.729 CB 1.404 49 residues pruned to eliminate duplicates Z: 27 22.203 2.061 0.531 0.523 1.000 0.615 CB 1.349 19 residues pruned to eliminate duplicates Z: 7 4.411 1.638 0.069 0.529 1.000 0.500 N 0.998 7 residues pruned to eliminate duplicates Z: 43 26.372 1.982 0.531 0.616 0.929 0.714 CB 1.294 55 residues pruned to eliminate duplicates Z: 20 19.162 2.085 0.348 0.775 0.895 0.789 CA 1.371 20 residues pruned to eliminate duplicates Z: 23 20.013 2.080 0.429 0.590 0.864 0.636 CA 1.525 23 residues pruned to eliminate duplicates Z: 18 30.544 2.188 0.983 0.834 0.882 0.706 CB 1.451 18 residues pruned to eliminate duplicates Z: 46 31.795 2.055 0.503 0.674 0.911 0.689 CA 1.435 46 residues pruned to eliminate duplicates Z: 63 43.104 2.071 0.744 0.652 0.919 0.677 CA 1.431 63 residues pruned to eliminate duplicates Z: 56 47.859 2.081 0.796 0.753 0.945 0.709 CA 1.457 56 residues pruned to eliminate duplicates Z: 61 46.082 2.067 0.850 0.680 0.917 0.617 CB 1.439 61 residues pruned to eliminate duplicates Z: 44 36.512 2.058 0.799 0.734 0.907 0.628 CB 1.343 44 residues pruned to eliminate duplicates Z: 50 29.050 1.984 0.711 0.650 0.878 0.694 CB 1.212 50 residues pruned to eliminate duplicates Z: 25 24.779 2.013 0.998 0.582 0.875 0.417 CB 1.329 25 residues pruned to eliminate duplicates Z: 43 40.545 2.108 0.871 0.715 0.929 0.643 CB 1.406 43 residues pruned to eliminate duplicates Z: 38 44.305 2.132 0.911 0.815 0.919 0.649 CB 1.479 38 residues pruned to eliminate duplicates Z: 60 45.255 2.088 0.888 0.677 0.881 0.593 CA 1.441 60 residues pruned to eliminate duplicates Z: 22 30.965 2.111 1.154 0.707 0.952 0.571 CB 1.292 22 residues pruned to eliminate duplicates Z: 36 26.991 2.020 0.723 0.698 0.857 0.571 CB 1.276 36 residues pruned to eliminate duplicates Z: 22 23.156 2.104 0.796 0.657 0.857 0.571 CB 1.348 22 residues pruned to eliminate duplicates Z: 36 33.551 2.050 0.781 0.673 0.943 0.657 CB 1.404 36 residues pruned to eliminate duplicates Z: 34 30.069 2.093 0.795 0.653 0.879 0.455 CB 1.375 34 residues pruned to eliminate duplicates Z: 22 17.398 2.015 0.459 0.489 0.952 0.714 CB 1.371 22 residues pruned to eliminate duplicates Z: 19 16.201 2.066 0.281 0.524 0.944 0.722 CA 1.492 19 residues pruned to eliminate duplicates Z: 19 20.693 2.070 0.576 0.585 0.889 0.667 CA 1.551 19 residues pruned to eliminate duplicates Z: 21 17.668 2.007 0.477 0.540 0.900 0.750 CA 1.425 21 residues pruned to eliminate duplicates Z: 33 27.635 2.077 0.648 0.617 0.875 0.562 CB 1.461 33 residues pruned to eliminate duplicates Z: 17 21.586 2.162 0.549 0.591 0.938 0.688 CA 1.575 17 residues pruned to eliminate duplicates Z: 6 3.110 1.664 0.672 0.389 0.800 0.000 CA 0.703 12 residues pruned to eliminate duplicates Z: 17 26.031 2.124 0.761 0.653 1.000 0.688 CA 1.508 17 residues pruned to eliminate duplicates Z: 18 28.290 2.116 0.893 0.671 0.941 0.824 CA 1.554 18 residues pruned to eliminate duplicates Z: 18 25.626 2.094 0.774 0.638 1.000 0.765 CB 1.469 18 residues pruned to eliminate duplicates Z: 19 17.623 2.041 0.609 0.471 0.889 0.778 CA 1.466 19 residues pruned to eliminate duplicates Z: 24 25.288 2.119 0.764 0.566 0.913 0.609 CA 1.449 24 residues pruned to eliminate duplicates Z: 46 33.618 2.080 0.722 0.578 0.867 0.644 CB 1.497 46 residues pruned to eliminate duplicates Z: 28 17.756 1.950 0.614 0.448 0.815 0.556 CA 1.405 28 residues pruned to eliminate duplicates Z: 54 35.931 2.079 0.720 0.514 0.906 0.642 CB 1.503 54 residues pruned to eliminate duplicates Z: 70 39.828 2.119 0.610 0.545 0.913 0.638 CB 1.473 81 residues pruned to eliminate duplicates Z: 39 30.326 2.059 0.650 0.545 0.895 0.684 CA 1.549 179 residues pruned to eliminate duplicates Z: 19 19.861 2.085 0.748 0.453 1.000 0.500 CA 1.348 19 residues pruned to eliminate duplicates Z: 19 15.626 2.058 0.633 0.462 0.889 0.500 CA 1.281 19 residues pruned to eliminate duplicates Z: 33 30.620 2.138 0.773 0.492 0.969 0.656 CA 1.487 33 residues pruned to eliminate duplicates Z: 70 36.390 2.119 0.511 0.542 0.913 0.609 CA 1.437 70 residues pruned to eliminate duplicates Z: 69 41.878 2.115 0.646 0.612 0.926 0.721 CA 1.416 69 residues pruned to eliminate duplicates Z: 73 37.484 2.088 0.530 0.570 0.917 0.639 CB 1.410 73 residues pruned to eliminate duplicates Z: 64 29.464 2.018 0.608 0.506 0.921 0.524 CB 1.235 81 residues pruned to eliminate duplicates Z: 50 33.527 2.073 0.731 0.549 0.918 0.633 CA 1.385 50 residues pruned to eliminate duplicates Z: 33 30.643 2.130 0.667 0.549 0.969 0.656 CA 1.500 33 residues pruned to eliminate duplicates Z: 60 33.628 2.127 0.634 0.578 0.881 0.695 CB 1.326 60 residues pruned to eliminate duplicates Z: 68 39.854 2.099 0.708 0.564 0.910 0.582 CA 1.401 68 residues pruned to eliminate duplicates Z: 71 41.604 2.100 0.686 0.576 0.943 0.586 CB 1.384 71 residues pruned to eliminate duplicates Z: 62 38.318 2.168 0.492 0.583 0.967 0.656 CB 1.448 62 residues pruned to eliminate duplicates Z: 57 39.538 2.141 0.721 0.572 0.946 0.607 CA 1.413 57 residues pruned to eliminate duplicates Z: 34 28.107 2.139 0.755 0.576 0.939 0.576 CA 1.290 34 residues pruned to eliminate duplicates Z: 48 35.842 2.164 0.712 0.577 0.936 0.617 CA 1.400 48 residues pruned to eliminate duplicates Z: 37 30.128 2.235 0.677 0.578 0.861 0.417 CA 1.443 37 residues pruned to eliminate duplicates Z: 36 27.100 2.136 0.609 0.649 0.914 0.629 CB 1.269 36 residues pruned to eliminate duplicates Z: 32 26.769 2.153 0.478 0.646 0.935 0.484 CB 1.409 32 residues pruned to eliminate duplicates Z: 17 21.628 2.199 0.611 0.723 0.875 0.688 CA 1.427 17 residues pruned to eliminate duplicates Z: 36 26.460 2.134 0.436 0.633 0.943 0.600 CB 1.366 36 residues pruned to eliminate duplicates Z: 36 28.751 2.143 0.561 0.662 0.971 0.571 CB 1.287 36 residues pruned to eliminate duplicates Z: 36 28.883 2.149 0.585 0.659 0.914 0.571 CB 1.352 36 residues pruned to eliminate duplicates Z: 49 37.236 2.139 0.728 0.614 0.896 0.646 CA 1.457 49 residues pruned to eliminate duplicates Z: 34 27.531 2.164 0.542 0.665 0.939 0.636 CB 1.312 34 residues pruned to eliminate duplicates Z: 37 23.204 2.024 0.482 0.606 0.972 0.472 CB 1.198 37 residues pruned to eliminate duplicates Z: 37 25.933 2.139 0.493 0.645 0.944 0.639 CB 1.252 37 residues pruned to eliminate duplicates Z: 34 18.922 1.987 0.483 0.536 0.879 0.545 CB 1.228 34 residues pruned to eliminate duplicates Z: 24 21.692 2.188 0.563 0.610 0.870 0.522 CA 1.370 24 residues pruned to eliminate duplicates Z: 67 38.488 2.118 0.664 0.618 0.909 0.606 CB 1.323 67 residues pruned to eliminate duplicates Z: 16 8.040 1.844 0.244 0.397 0.800 0.600 CB 1.262 16 residues pruned to eliminate duplicates Z: 23 10.571 1.869 0.342 0.384 0.818 0.500 CB 1.242 23 residues pruned to eliminate duplicates Z: 21 11.167 1.909 0.230 0.436 0.900 0.600 CA 1.262 21 residues pruned to eliminate duplicates Z: 14 9.817 1.853 0.586 0.384 0.769 0.385 CB 1.363 14 residues pruned to eliminate duplicates Z: 108 40.744 2.119 0.481 0.489 0.869 0.551 CB 1.460 108 residues pruned to eliminate duplicates Z: 64 27.845 2.065 0.416 0.473 0.905 0.429 CB 1.363 64 residues pruned to eliminate duplicates Z: 15 12.369 2.111 0.570 0.341 0.857 0.500 CA 1.383 15 residues pruned to eliminate duplicates Z: 62 45.063 2.173 0.898 0.537 0.918 0.590 CA 1.470 68 residues pruned to eliminate duplicates Z: 6 4.599 1.806 0.328 0.316 1.000 0.400 CB 1.051 6 residues pruned to eliminate duplicates Z: 54 23.038 2.019 0.375 0.410 0.887 0.415 CB 1.412 54 residues pruned to eliminate duplicates Z: 13 10.429 2.054 0.610 0.396 0.750 0.500 CA 1.354 13 residues pruned to eliminate duplicates Z: 34 19.173 2.055 0.501 0.464 0.848 0.485 CB 1.323 34 residues pruned to eliminate duplicates Z: 54 24.972 2.069 0.458 0.455 0.868 0.585 CB 1.372 54 residues pruned to eliminate duplicates Z: 55 21.643 2.008 0.458 0.420 0.852 0.519 CB 1.284 55 residues pruned to eliminate duplicates Z: 30 16.317 2.015 0.614 0.358 0.828 0.517 CB 1.312 30 residues pruned to eliminate duplicates Z: 25 13.811 2.092 0.445 0.427 0.833 0.417 CB 1.207 25 residues pruned to eliminate duplicates Z: 131 48.425 2.061 0.586 0.537 0.908 0.538 CB 1.381 131 residues pruned to eliminate duplicates Z: 47 27.262 2.105 0.627 0.499 0.913 0.500 CB 1.286 47 residues pruned to eliminate duplicates Z: 21 17.396 2.173 0.411 0.499 0.950 0.550 CB 1.336 21 residues pruned to eliminate duplicates Z: 37 18.803 2.082 0.355 0.450 0.889 0.556 CB 1.316 37 residues pruned to eliminate duplicates Z: 24 14.098 2.114 0.394 0.495 0.870 0.565 CB 1.154 24 residues pruned to eliminate duplicates Z: 44 24.766 2.110 0.604 0.513 0.907 0.512 CB 1.215 44 residues pruned to eliminate duplicates Z: 44 21.954 2.074 0.389 0.479 0.907 0.558 CB 1.310 44 residues pruned to eliminate duplicates Z: 64 20.195 1.965 0.429 0.362 0.825 0.365 CB 1.274 64 residues pruned to eliminate duplicates Z: 22 14.622 2.150 0.374 0.480 0.857 0.571 CB 1.286 22 residues pruned to eliminate duplicates Z: 67 27.712 2.072 0.461 0.488 0.864 0.439 CB 1.320 67 residues pruned to eliminate duplicates Z: 46 20.970 2.056 0.333 0.452 0.889 0.422 CB 1.348 46 residues pruned to eliminate duplicates Z: 23 15.722 2.125 0.502 0.486 0.864 0.682 CB 1.233 23 residues pruned to eliminate duplicates Z: 45 20.141 2.057 0.394 0.470 0.864 0.636 CB 1.263 45 residues pruned to eliminate duplicates Z: 37 23.086 2.019 0.426 0.450 0.944 0.528 CB 1.489 37 residues pruned to eliminate duplicates Z: 45 20.786 2.010 0.401 0.417 0.932 0.568 CB 1.302 45 residues pruned to eliminate duplicates Z: 70 27.299 2.011 0.514 0.416 0.870 0.580 CB 1.356 70 residues pruned to eliminate duplicates Z: 81 33.423 2.067 0.540 0.448 0.875 0.463 CB 1.416 81 residues pruned to eliminate duplicates Z: 65 28.843 1.928 0.463 0.576 0.906 0.516 CB 1.312 65 residues pruned to eliminate duplicates Z: 37 19.617 2.022 0.473 0.400 0.833 0.500 CB 1.465 37 residues pruned to eliminate duplicates Z: 21 14.590 2.004 0.306 0.481 0.900 0.500 CB 1.411 21 residues pruned to eliminate duplicates Z: 25 14.605 1.990 0.308 0.427 0.875 0.292 CB 1.411 25 residues pruned to eliminate duplicates Z: 59 31.024 1.944 0.612 0.589 0.914 0.500 CB 1.306 59 residues pruned to eliminate duplicates Z: 36 20.375 2.038 0.333 0.485 0.914 0.486 CB 1.408 36 residues pruned to eliminate duplicates Z: 32 13.674 1.918 0.314 0.338 0.839 0.452 CB 1.387 32 residues pruned to eliminate duplicates Z: 47 20.818 1.955 0.287 0.480 0.913 0.543 CB 1.363 47 residues pruned to eliminate duplicates Z: 38 22.036 1.966 0.480 0.413 0.946 0.378 CA 1.442 38 residues pruned to eliminate duplicates Z: 84 38.675 1.898 0.547 0.618 0.964 0.518 CB 1.342 94 residues pruned to eliminate duplicates Z: 21 21.020 2.053 0.587 0.488 0.950 0.400 CB 1.537 21 residues pruned to eliminate duplicates Z: 27 17.152 1.950 0.367 0.417 0.923 0.462 CB 1.491 27 residues pruned to eliminate duplicates Z: 41 24.379 1.931 0.443 0.600 0.900 0.500 CB 1.397 41 residues pruned to eliminate duplicates Z: 30 12.036 1.875 0.251 0.287 0.862 0.414 CA 1.406 30 residues pruned to eliminate duplicates Z: 21 19.254 2.008 0.595 0.404 1.000 0.550 CB 1.486 21 residues pruned to eliminate duplicates Z: 38 17.596 2.003 0.352 0.380 0.892 0.432 CB 1.360 38 residues pruned to eliminate duplicates Z: 37 19.100 1.978 0.453 0.347 0.917 0.361 CB 1.427 37 residues pruned to eliminate duplicates Z: 52 17.921 1.860 0.430 0.412 0.863 0.471 CA 1.199 52 residues pruned to eliminate duplicates Z: 21 19.897 2.032 0.642 0.476 0.900 0.450 CB 1.517 21 residues pruned to eliminate duplicates Z: 21 13.432 1.966 0.298 0.367 0.900 0.550 CA 1.509 21 residues pruned to eliminate duplicates Z: 56 24.061 2.027 0.368 0.441 0.891 0.527 CB 1.396 56 residues pruned to eliminate duplicates Z: 102 34.459 1.915 0.401 0.564 0.911 0.554 CB 1.318 102 residues pruned to eliminate duplicates Z: 87 38.165 1.910 0.521 0.606 0.919 0.500 CB 1.394 87 residues pruned to eliminate duplicates Z: 12 13.312 1.927 0.625 0.555 0.818 0.455 CA 1.485 12 residues pruned to eliminate duplicates Z: 13 18.859 1.892 0.695 0.669 1.000 0.417 CB 1.452 13 residues pruned to eliminate duplicates Z: 31 15.809 1.945 0.292 0.460 0.900 0.533 CB 1.329 31 residues pruned to eliminate duplicates Z: 93 31.621 1.897 0.371 0.535 0.913 0.609 CB 1.341 93 residues pruned to eliminate duplicates Z: 26 18.309 1.970 0.500 0.431 0.880 0.360 CB 1.512 26 residues pruned to eliminate duplicates Z: 64 35.410 1.936 0.539 0.634 0.952 0.571 CB 1.386 64 residues pruned to eliminate duplicates Z: 22 16.702 1.889 0.483 0.563 0.905 0.476 CB 1.352 22 residues pruned to eliminate duplicates Z: 101 36.497 1.908 0.422 0.557 0.940 0.530 CB 1.353 100 residues pruned to eliminate duplicates Z: 25 18.449 1.912 0.266 0.764 0.917 0.625 CB 1.343 25 residues pruned to eliminate duplicates Z: 30 21.211 1.859 0.424 0.721 0.966 0.586 CB 1.263 30 residues pruned to eliminate duplicates Z: 30 18.520 1.823 0.464 0.706 0.897 0.655 CB 1.192 30 residues pruned to eliminate duplicates Z: 49 22.653 1.859 0.445 0.652 0.896 0.625 CB 1.179 49 residues pruned to eliminate duplicates Z: 101 36.567 1.918 0.419 0.560 0.950 0.560 CB 1.334 101 residues pruned to eliminate duplicates Z: 15 7.758 1.679 0.153 0.439 1.000 0.357 CB 1.140 15 residues pruned to eliminate duplicates Z: 59 32.140 1.920 0.609 0.572 0.966 0.586 CB 1.320 59 residues pruned to eliminate duplicates Z: 69 23.808 1.868 0.437 0.458 0.882 0.500 CB 1.272 69 residues pruned to eliminate duplicates Z: 55 30.558 1.923 0.590 0.597 0.889 0.500 CB 1.394 55 residues pruned to eliminate duplicates Z: 19 16.859 1.785 0.621 0.806 0.889 0.444 CB 1.183 19 residues pruned to eliminate duplicates Z: 86 34.771 1.881 0.568 0.616 0.894 0.576 CB 1.282 86 residues pruned to eliminate duplicates Z: 32 25.228 1.865 0.594 0.714 1.000 0.613 CA 1.256 32 residues pruned to eliminate duplicates Z: 66 31.194 1.848 0.586 0.639 0.877 0.600 CB 1.322 66 residues pruned to eliminate duplicates Z: 72 33.263 1.893 0.516 0.649 0.901 0.620 CB 1.327 72 residues pruned to eliminate duplicates Z: 15 11.818 1.712 0.770 0.623 0.929 0.643 CB 1.000 15 residues pruned to eliminate duplicates Z: 52 20.983 1.869 0.457 0.462 0.843 0.549 CB 1.329 52 residues pruned to eliminate duplicates Z: 33 24.593 1.925 0.628 0.634 0.969 0.625 CB 1.263 33 residues pruned to eliminate duplicates Z: 48 24.548 1.874 0.605 0.546 0.915 0.553 CB 1.245 48 residues pruned to eliminate duplicates Z: 41 27.708 1.862 0.559 0.680 0.925 0.700 CB 1.383 41 residues pruned to eliminate duplicates Z: 78 27.649 1.900 0.341 0.505 0.935 0.506 CA 1.316 78 residues pruned to eliminate duplicates Z: 45 25.553 1.870 0.429 0.645 0.909 0.568 CB 1.385 45 residues pruned to eliminate duplicates Z: 28 16.977 1.862 0.475 0.556 0.852 0.556 CB 1.323 28 residues pruned to eliminate duplicates Z: 46 24.182 1.861 0.516 0.598 0.933 0.600 CB 1.248 46 residues pruned to eliminate duplicates Z: 66 33.472 1.846 0.487 0.666 0.969 0.600 CA 1.338 66 residues pruned to eliminate duplicates Z: 64 28.097 1.833 0.447 0.623 0.905 0.619 CB 1.314 64 residues pruned to eliminate duplicates Z: 45 23.393 1.835 0.448 0.621 0.909 0.432 CB 1.302 45 residues pruned to eliminate duplicates Z: 23 18.353 1.841 0.790 0.612 0.818 0.591 CB 1.305 23 residues pruned to eliminate duplicates Z: 27 22.263 1.906 0.603 0.608 0.962 0.385 CB 1.342 27 residues pruned to eliminate duplicates Z: 43 22.621 1.872 0.501 0.524 0.952 0.619 CB 1.274 43 residues pruned to eliminate duplicates Z: 41 23.658 1.843 0.553 0.595 0.875 0.650 CB 1.364 41 residues pruned to eliminate duplicates Z: 46 29.827 1.871 0.639 0.571 0.978 0.689 CB 1.384 46 residues pruned to eliminate duplicates Z: 95 39.159 1.921 0.581 0.587 0.926 0.553 CB 1.321 95 residues pruned to eliminate duplicates Z: 46 23.920 1.855 0.479 0.564 0.956 0.556 CB 1.278 46 residues pruned to eliminate duplicates Z: 45 21.170 1.803 0.526 0.512 0.886 0.591 CB 1.293 45 residues pruned to eliminate duplicates Z: 38 20.989 1.791 0.445 0.588 1.000 0.649 CB 1.224 38 residues pruned to eliminate duplicates Z: 25 18.218 1.916 0.382 0.583 0.958 0.500 CB 1.353 25 residues pruned to eliminate duplicates Z: 42 22.870 1.876 0.381 0.610 0.976 0.659 CA 1.273 42 residues pruned to eliminate duplicates Z: 33 20.385 1.844 0.484 0.582 0.938 0.625 CB 1.298 33 residues pruned to eliminate duplicates Z: 54 28.674 1.859 0.720 0.590 0.906 0.604 CB 1.247 54 residues pruned to eliminate duplicates Z: 49 25.378 1.823 0.549 0.553 0.917 0.521 CB 1.343 49 residues pruned to eliminate duplicates Z: 45 25.281 1.856 0.577 0.617 0.886 0.545 CB 1.316 45 residues pruned to eliminate duplicates Z: 53 32.070 1.864 0.628 0.646 0.962 0.635 CB 1.330 53 residues pruned to eliminate duplicates Z: 54 29.510 1.868 0.635 0.579 0.906 0.623 CB 1.359 54 residues pruned to eliminate duplicates Z: 98 36.316 1.921 0.591 0.511 0.876 0.557 CB 1.361 98 residues pruned to eliminate duplicates Z: 31 20.299 1.811 0.584 0.556 0.967 0.633 CB 1.266 31 residues pruned to eliminate duplicates Z: 24 18.545 1.808 0.538 0.673 0.913 0.565 CB 1.299 24 residues pruned to eliminate duplicates Z: 82 32.982 1.895 0.569 0.527 0.889 0.494 CB 1.350 82 residues pruned to eliminate duplicates Z: 48 20.432 1.814 0.533 0.499 0.830 0.489 CB 1.292 48 residues pruned to eliminate duplicates Z: 29 16.593 1.734 0.662 0.565 0.786 0.571 CB 1.300 29 residues pruned to eliminate duplicates Z: 68 33.641 1.860 0.622 0.634 0.910 0.567 CB 1.320 68 residues pruned to eliminate duplicates Z: 17 13.747 1.782 0.649 0.576 0.875 0.500 CB 1.242 17 residues pruned to eliminate duplicates Z: 8 10.417 1.971 0.755 0.461 0.857 0.714 CA 1.382 8 residues pruned to eliminate duplicates Z: 17 15.472 1.805 0.483 0.598 1.000 0.625 CB 1.316 16 residues pruned to eliminate duplicates Z: 10 15.692 1.891 0.676 0.714 1.000 0.111 CB 1.360 10 residues pruned to eliminate duplicates Z: 34 20.989 1.824 0.579 0.596 0.939 0.576 CB 1.232 34 residues pruned to eliminate duplicates Z: 37 20.519 1.755 0.497 0.554 0.972 0.444 CB 1.270 37 residues pruned to eliminate duplicates Z: 11 9.672 1.588 0.377 0.742 1.000 0.500 CB 1.126 11 residues pruned to eliminate duplicates Z: 13 9.848 1.659 0.561 0.519 0.833 0.417 CB 1.292 13 residues pruned to eliminate duplicates Z: 121 44.758 1.959 0.560 0.543 0.958 0.525 CB 1.338 121 residues pruned to eliminate duplicates Z: 17 13.615 1.794 0.700 0.551 0.875 0.688 CB 1.213 17 residues pruned to eliminate duplicates Z: 53 29.762 1.876 0.532 0.648 0.962 0.615 CB 1.301 54 residues pruned to eliminate duplicates Z: 16 17.373 1.875 0.382 0.904 1.000 0.867 CB 1.233 16 residues pruned to eliminate duplicates Z: 30 19.310 1.825 0.537 0.752 0.897 0.724 CB 1.139 30 residues pruned to eliminate duplicates Z: 15 18.775 1.896 0.608 0.913 1.000 0.786 CB 1.165 15 residues pruned to eliminate duplicates Z: 16 16.244 1.849 0.575 0.878 0.933 0.600 CB 1.120 16 residues pruned to eliminate duplicates Z: 29 21.015 1.872 0.580 0.739 0.893 0.679 CB 1.214 29 residues pruned to eliminate duplicates Z: 28 20.139 1.825 0.527 0.727 0.926 0.593 CB 1.223 28 residues pruned to eliminate duplicates Z: 27 23.818 1.894 0.729 0.785 0.962 0.731 CB 1.155 27 residues pruned to eliminate duplicates Z: 16 18.125 1.867 0.529 0.930 1.000 0.800 CB 1.147 16 residues pruned to eliminate duplicates Z: 16 16.173 1.835 0.467 0.915 1.000 0.667 CB 1.097 16 residues pruned to eliminate duplicates Z: 29 22.511 1.844 0.675 0.760 0.964 0.750 CB 1.133 29 residues pruned to eliminate duplicates Z: 19 14.070 1.752 0.494 0.893 0.944 0.556 CB 0.963 19 residues pruned to eliminate duplicates Z: 28 22.585 1.879 0.697 0.737 0.926 0.741 CB 1.190 28 residues pruned to eliminate duplicates Z: 14 15.300 1.769 0.548 0.855 1.000 0.615 CB 1.143 14 residues pruned to eliminate duplicates Z: 28 20.787 1.875 0.572 0.728 0.926 0.778 CB 1.193 28 residues pruned to eliminate duplicates Z: 15 20.622 1.909 0.683 0.923 1.000 0.643 CB 1.206 15 residues pruned to eliminate duplicates Z: 28 20.954 1.894 0.580 0.737 0.889 0.741 CB 1.225 28 residues pruned to eliminate duplicates Z: 28 21.814 1.876 0.730 0.723 0.889 0.667 CB 1.191 28 residues pruned to eliminate duplicates Z: 28 23.238 1.851 0.712 0.728 0.926 0.741 CB 1.241 28 residues pruned to eliminate duplicates Z: 15 8.618 1.697 0.581 0.424 0.786 0.714 CA 1.183 15 residues pruned to eliminate duplicates Z: 12 14.307 1.844 0.860 0.631 0.909 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 28 19.009 1.848 0.606 0.712 0.926 0.630 CB 1.098 28 residues pruned to eliminate duplicates Z: 29 18.556 1.848 0.531 0.681 0.929 0.714 CB 1.130 29 residues pruned to eliminate duplicates Z: 12 10.828 1.829 0.591 0.506 0.909 0.727 CB 1.228 12 residues pruned to eliminate duplicates Z: 11 11.483 1.888 0.769 0.504 0.900 0.600 CA 1.203 11 residues pruned to eliminate duplicates Z: 12 8.652 1.782 0.321 0.620 0.909 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 16 12.655 1.828 0.588 0.562 0.800 0.533 CB 1.325 16 residues pruned to eliminate duplicates Z: 22 16.437 1.877 0.622 0.600 0.952 0.714 CB 1.125 22 residues pruned to eliminate duplicates Z: 35 17.761 1.831 0.606 0.462 0.912 0.618 CB 1.180 35 residues pruned to eliminate duplicates Z: 29 16.924 1.864 0.407 0.572 1.000 0.714 CB 1.138 29 residues pruned to eliminate duplicates Z: 19 11.996 1.964 0.585 0.472 0.889 0.667 CB 1.052 19 residues pruned to eliminate duplicates Z: 45 20.037 1.919 0.548 0.437 0.886 0.545 CB 1.224 45 residues pruned to eliminate duplicates Z: 26 18.268 1.871 0.717 0.547 0.920 0.600 CB 1.180 26 residues pruned to eliminate duplicates Z: 65 32.432 2.036 0.720 0.580 0.891 0.531 CB 1.204 180 residues pruned to eliminate duplicates Z: 6 3.710 1.317 1.421 0.438 1.000 0.600 CA 0.554 Z: 6 4.533 1.554 0.260 0.255 1.000 0.400 CA 1.371 Z: 15 7.817 1.465 0.198 0.885 1.000 0.786 CB 0.859 15 residues pruned to eliminate duplicates Z: 11 8.167 1.702 0.428 0.608 0.900 0.800 CB 1.065 11 residues pruned to eliminate duplicates Z: 10 6.094 1.713 0.302 0.474 1.000 0.667 CB 0.935 10 residues pruned to eliminate duplicates Z: 26 13.637 1.700 0.659 0.437 0.960 0.640 CB 1.075 37 residues pruned to eliminate duplicates Z: 13 10.396 1.745 0.664 0.911 1.000 0.667 CB 0.733 13 residues pruned to eliminate duplicates Z: 12 11.132 1.738 0.573 0.620 1.000 0.455 CB 1.096 12 residues pruned to eliminate duplicates Z: 10 8.949 1.845 0.718 0.708 0.889 0.556 CB 0.876 10 residues pruned to eliminate duplicates Z: 13 10.481 1.759 0.994 0.903 0.833 0.417 CB 0.738 13 residues pruned to eliminate duplicates Z: 13 11.415 1.754 1.044 0.924 0.917 0.667 CB 0.704 13 residues pruned to eliminate duplicates Z: 13 11.394 1.753 1.009 0.893 0.917 0.500 CB 0.732 13 residues pruned to eliminate duplicates Z: 28 16.704 1.711 0.770 0.631 0.963 0.593 CB 0.975 26 residues pruned to eliminate duplicates Z: 14 11.596 1.709 0.874 0.894 1.000 0.538 CB 0.720 14 residues pruned to eliminate duplicates Z: 28 17.270 1.704 0.734 0.662 0.963 0.556 CB 1.005 28 residues pruned to eliminate duplicates 6 1.699 1.225 0.171 0.221 0.800 0.400 N 0.918 ? Z: 19 12.586 1.596 0.865 0.720 1.000 0.556 CB 0.817 19 residues pruned to eliminate duplicates Z: 16 11.242 1.645 0.617 0.433 1.000 0.600 CA 1.170 15 residues pruned to eliminate duplicates Z: 7 5.176 1.483 0.560 0.429 0.833 0.500 CB 1.179 7 residues pruned to eliminate duplicates Z: 11 12.612 1.785 0.664 0.641 0.900 0.700 CA 1.308 11 residues pruned to eliminate duplicates Z: 13 11.289 1.621 0.731 0.655 0.917 0.583 CA 1.097 13 residues pruned to eliminate duplicates Z: 12 9.663 1.722 0.581 0.586 0.909 0.636 CA 1.085 12 residues pruned to eliminate duplicates Z: 11 14.342 1.800 0.720 0.637 0.900 0.700 CB 1.432 11 residues pruned to eliminate duplicates Z: 13 14.592 1.710 0.573 0.651 1.000 0.500 CB 1.361 14 residues pruned to eliminate duplicates Z: 6 3.261 1.864 0.453 0.181 0.800 0.600 CB 0.988 Z: 8 8.261 1.919 0.295 0.372 1.000 0.571 CB 1.441 5 residues pruned to eliminate duplicates Z: 7 11.109 1.868 0.499 0.500 1.000 0.500 CB 1.620 7 residues pruned to eliminate duplicates Z: 7 5.611 1.807 -0.107 0.713 1.000 0.667 CA 1.171 7 residues pruned to eliminate duplicates Z: 14 8.771 1.921 0.411 0.417 0.846 0.385 CA 1.156 7 residues pruned to eliminate duplicates Z: 6 5.800 1.806 0.151 0.726 0.800 0.400 CB 1.271 6 residues pruned to eliminate duplicates Z: 21 12.578 1.839 0.518 0.390 0.850 0.400 CA 1.332 16 residues pruned to eliminate duplicates Z: 12 11.257 1.823 0.328 0.648 1.000 0.545 CA 1.222 12 residues pruned to eliminate duplicates Z: 7 5.600 1.553 0.513 0.554 0.833 0.500 CA 1.107 7 residues pruned to eliminate duplicates Z: 22 10.828 1.907 0.338 0.346 0.905 0.476 CA 1.210 22 residues pruned to eliminate duplicates Z: 22 9.728 1.825 0.445 0.337 0.810 0.476 CB 1.188 22 residues pruned to eliminate duplicates Z: 25 12.376 1.841 0.310 0.410 0.917 0.542 CA 1.256 18 residues pruned to eliminate duplicates Z: 10 6.000 1.584 0.539 0.455 1.000 0.556 CA 0.859 11 residues pruned to eliminate duplicates Z: 7 4.726 1.640 0.389 0.561 0.833 0.167 CB 0.958 7 residues pruned to eliminate duplicates Z: 39 18.070 1.882 0.369 0.409 0.947 0.500 CB 1.322 43 residues pruned to eliminate duplicates 6 0.465 1.542 0.382 0.373 0.200 0.200 CB 0.559 ? Z: 8 6.018 1.728 0.281 0.550 1.000 0.714 CB 0.979 8 residues pruned to eliminate duplicates Z: 14 11.753 1.784 0.522 0.720 0.923 0.462 CB 1.066 14 residues pruned to eliminate duplicates Z: 7 4.090 1.654 0.662 0.578 1.000 0.500 CB 0.563 7 residues pruned to eliminate duplicates Z: 27 16.687 1.784 0.361 0.690 0.962 0.577 CB 1.178 27 residues pruned to eliminate duplicates Z: 20 12.234 1.716 0.590 0.503 0.947 0.421 CB 1.082 15 residues pruned to eliminate duplicates Z: 8 5.789 1.674 0.074 0.834 1.000 0.429 CB 0.912 8 residues pruned to eliminate duplicates Z: 16 8.384 1.766 0.300 0.543 0.933 0.600 CB 0.969 16 residues pruned to eliminate duplicates Z: 28 13.455 1.764 0.306 0.642 0.926 0.630 CB 1.063 28 residues pruned to eliminate duplicates Z: 23 11.238 1.715 0.270 0.503 0.864 0.545 CB 1.270 23 residues pruned to eliminate duplicates Z: 28 17.723 1.765 0.466 0.648 0.926 0.630 CB 1.241 28 residues pruned to eliminate duplicates Z: 29 15.072 1.767 0.331 0.591 0.857 0.643 CB 1.296 29 residues pruned to eliminate duplicates Z: 15 13.623 1.737 0.305 0.714 1.000 0.929 CB 1.323 15 residues pruned to eliminate duplicates Z: 27 13.314 1.690 0.430 0.555 0.885 0.692 CB 1.157 27 residues pruned to eliminate duplicates Z: 26 15.184 1.770 0.387 0.601 0.920 0.840 CB 1.221 26 residues pruned to eliminate duplicates Z: 27 15.691 1.746 0.365 0.659 0.962 0.731 CB 1.158 27 residues pruned to eliminate duplicates Z: 22 13.203 1.758 0.340 0.573 0.952 0.905 CB 1.197 22 residues pruned to eliminate duplicates Z: 12 14.778 1.833 0.537 0.818 0.909 0.909 CA 1.320 12 residues pruned to eliminate duplicates Z: 28 15.615 1.767 0.345 0.676 0.926 0.593 CB 1.161 28 residues pruned to eliminate duplicates Z: 17 13.630 1.669 0.521 0.675 0.938 0.688 CA 1.219 17 residues pruned to eliminate duplicates Z: 14 14.268 1.738 0.340 0.699 1.000 0.692 CA 1.417 14 residues pruned to eliminate duplicates Z: 27 15.124 1.726 0.270 0.601 0.962 0.769 CB 1.278 27 residues pruned to eliminate duplicates Z: 20 11.619 1.681 0.238 0.547 1.000 0.632 CB 1.223 20 residues pruned to eliminate duplicates Z: 31 13.598 1.729 0.484 0.535 0.900 0.400 CB 1.039 31 residues pruned to eliminate duplicates Z: 22 13.803 1.697 0.489 0.511 0.905 0.667 CA 1.302 22 residues pruned to eliminate duplicates 9 1.859 1.469 0.346 0.066 0.500 0.250 CA 1.175 ? Z: 30 9.024 1.805 0.366 0.293 0.690 0.483 CB 1.242 30 residues pruned to eliminate duplicates Z: 23 11.303 1.667 0.502 0.475 0.818 0.591 CA 1.206 23 residues pruned to eliminate duplicates Z: 14 6.930 1.735 0.390 0.354 0.769 0.538 CB 1.213 Z: 6 3.723 1.534 -0.090 0.390 1.000 0.800 C 1.340 6 residues pruned to eliminate duplicates Z: 21 15.778 1.980 0.390 0.494 0.900 0.700 CB 1.434 21 residues pruned to eliminate duplicates Z: 26 10.774 1.972 0.313 0.332 0.760 0.480 CB 1.317 26 residues pruned to eliminate duplicates Z: 53 30.000 2.064 0.620 0.531 0.788 0.558 CB 1.532 56 residues pruned to eliminate duplicates Z: 8 4.868 1.583 0.521 0.531 0.857 0.571 CA 0.865 Z: 9 6.860 1.477 0.622 0.545 0.875 0.625 CB 1.106 5 residues pruned to eliminate duplicates Z: 7 4.324 1.606 0.749 0.421 0.667 0.500 CB 1.024 Z: 6 5.641 1.781 0.716 0.218 0.800 0.600 N 1.437 6 residues pruned to eliminate duplicates Z: 24 14.232 1.999 0.422 0.366 0.783 0.348 CB 1.540 24 residues pruned to eliminate duplicates Z: 26 16.399 1.981 0.482 0.453 0.800 0.600 CB 1.466 26 residues pruned to eliminate duplicates Z: 19 18.034 2.074 0.685 0.364 0.889 0.611 CA 1.584 19 residues pruned to eliminate duplicates Z: 25 21.569 2.106 0.560 0.470 0.875 0.500 CB 1.579 25 residues pruned to eliminate duplicates Z: 78 39.900 2.107 0.598 0.534 0.896 0.494 CB 1.457 47 residues pruned to eliminate duplicates Z: 6 9.476 1.547 0.722 0.848 1.000 0.600 CA 1.179 6 residues pruned to eliminate duplicates Z: 26 25.761 2.132 0.710 0.441 0.920 0.680 CA 1.632 26 residues pruned to eliminate duplicates Z: 64 41.482 2.176 0.595 0.547 0.921 0.603 CB 1.562 71 residues pruned to eliminate duplicates Z: 10 7.631 1.684 0.666 0.627 0.778 0.444 CA 1.034 10 residues pruned to eliminate duplicates Z: 62 30.041 2.078 0.504 0.540 0.869 0.639 CB 1.362 62 residues pruned to eliminate duplicates Z: 46 30.273 2.092 0.590 0.525 0.867 0.578 CA 1.527 46 residues pruned to eliminate duplicates Z: 73 36.225 2.094 0.550 0.524 0.903 0.625 CB 1.424 73 residues pruned to eliminate duplicates Z: 44 29.503 2.052 0.619 0.521 0.884 0.488 CB 1.500 44 residues pruned to eliminate duplicates Z: 72 31.073 2.040 0.455 0.462 0.859 0.563 CA 1.503 72 residues pruned to eliminate duplicates Z: 33 20.113 2.058 0.439 0.397 0.906 0.625 CB 1.477 33 residues pruned to eliminate duplicates Z: 45 31.294 2.113 0.560 0.537 0.886 0.614 CA 1.558 45 residues pruned to eliminate duplicates Z: 58 36.500 2.128 0.611 0.554 0.912 0.614 CB 1.467 58 residues pruned to eliminate duplicates Z: 49 32.101 2.125 0.561 0.515 0.917 0.604 CB 1.502 49 residues pruned to eliminate duplicates Z: 72 39.383 2.109 0.573 0.580 0.859 0.662 CB 1.518 72 residues pruned to eliminate duplicates Z: 42 26.884 2.135 0.402 0.618 0.902 0.634 CB 1.391 42 residues pruned to eliminate duplicates Z: 47 31.445 2.118 0.535 0.623 0.891 0.565 CB 1.426 37 residues pruned to eliminate duplicates Z: 12 31.799 2.205 1.028 0.909 1.000 0.545 CB 1.521 12 residues pruned to eliminate duplicates Z: 68 38.468 2.144 0.564 0.526 0.896 0.478 CB 1.526 68 residues pruned to eliminate duplicates Z: 53 27.875 1.997 0.554 0.485 0.846 0.519 CB 1.495 59 residues pruned to eliminate duplicates Z: 12 36.722 2.227 1.320 0.943 1.000 0.364 CB 1.485 12 residues pruned to eliminate duplicates Z: 47 27.671 2.090 0.505 0.580 0.891 0.457 CB 1.347 46 residues pruned to eliminate duplicates Z: 14 18.944 1.860 1.006 0.684 0.923 0.154 CB 1.288 14 residues pruned to eliminate duplicates Z: 83 35.364 2.049 0.558 0.517 0.866 0.598 CB 1.389 83 residues pruned to eliminate duplicates Z: 54 36.992 2.150 0.703 0.535 0.868 0.434 CA 1.545 54 residues pruned to eliminate duplicates Z: 71 36.728 2.088 0.596 0.517 0.871 0.471 CB 1.486 71 residues pruned to eliminate duplicates Z: 6 2.050 1.483 -0.109 0.402 0.800 0.400 CB 0.962 6 residues pruned to eliminate duplicates Z: 36 36.127 2.182 0.666 0.690 0.914 0.543 CB 1.545 36 residues pruned to eliminate duplicates Z: 78 38.268 2.095 0.471 0.554 0.896 0.558 CB 1.499 78 residues pruned to eliminate duplicates Z: 78 33.080 1.981 0.552 0.481 0.857 0.506 CB 1.459 80 residues pruned to eliminate duplicates Z: 7 6.756 1.592 0.474 0.469 1.000 1.000 CA 1.212 7 residues pruned to eliminate duplicates Z: 39 18.294 1.992 0.189 0.543 0.895 0.605 CB 1.342 39 residues pruned to eliminate duplicates Z: 72 36.062 2.084 0.614 0.536 0.873 0.465 CB 1.406 72 residues pruned to eliminate duplicates Z: 15 21.425 2.234 0.297 0.834 1.000 0.643 CA 1.482 15 residues pruned to eliminate duplicates Z: 52 32.956 2.146 0.499 0.613 0.882 0.608 CB 1.460 52 residues pruned to eliminate duplicates Z: 59 32.926 2.081 0.576 0.569 0.897 0.500 CB 1.375 59 residues pruned to eliminate duplicates Z: 76 37.310 2.068 0.610 0.545 0.880 0.520 CB 1.408 76 residues pruned to eliminate duplicates Z: 37 24.778 2.071 0.596 0.549 0.889 0.611 CB 1.340 37 residues pruned to eliminate duplicates Z: 37 22.662 2.052 0.523 0.562 0.861 0.639 CB 1.322 37 residues pruned to eliminate duplicates Z: 53 33.154 2.132 0.642 0.581 0.865 0.442 CB 1.405 53 residues pruned to eliminate duplicates Z: 46 30.933 2.102 0.753 0.619 0.844 0.444 CB 1.324 46 residues pruned to eliminate duplicates Z: 62 36.012 2.079 0.742 0.552 0.869 0.459 CB 1.392 62 residues pruned to eliminate duplicates Z: 77 37.620 2.134 0.686 0.526 0.829 0.513 CB 1.410 77 residues pruned to eliminate duplicates Z: 62 34.200 2.107 0.687 0.563 0.836 0.459 CB 1.386 62 residues pruned to eliminate duplicates Z: 15 30.282 2.208 0.988 0.772 1.000 0.429 CB 1.450 23 residues pruned to eliminate duplicates Z: 13 33.075 2.307 1.138 0.905 0.917 0.333 CB 1.503 15 residues pruned to eliminate duplicates Z: 14 30.376 2.249 1.147 0.827 1.000 0.154 CB 1.315 14 residues pruned to eliminate duplicates Z: 36 25.120 2.079 0.694 0.586 0.857 0.457 CB 1.295 26 residues pruned to eliminate duplicates Z: 16 11.856 1.884 0.907 0.610 0.667 0.267 CB 1.152 16 residues pruned to eliminate duplicates Z: 11 6.722 1.752 0.996 0.437 0.800 0.500 CB 0.811 11 residues pruned to eliminate duplicates Z: 7 6.046 1.505 0.643 0.685 1.000 0.667 CA 0.842 7 residues pruned to eliminate duplicates Z: 23 21.936 2.097 0.766 0.662 0.909 0.500 CB 1.195 23 residues pruned to eliminate duplicates Z: 23 23.284 2.115 0.964 0.672 0.864 0.364 CB 1.181 23 residues pruned to eliminate duplicates Z: 8 6.760 1.758 0.618 0.378 1.000 0.429 CA 1.023 9 residues pruned to eliminate duplicates Z: 6 2.525 1.493 0.326 0.267 1.000 0.400 CA 0.743 Z: 6 6.068 1.659 1.106 0.399 1.000 0.800 CB 0.864 Z: 6 3.734 1.711 0.576 0.341 0.800 0.600 CA 0.920 Z: 11 10.116 1.906 0.573 0.891 0.800 0.400 CB 0.959 11 residues pruned to eliminate duplicates Z: 15 19.422 2.067 1.009 0.923 1.000 0.643 CB 0.879 15 residues pruned to eliminate duplicates Z: 19 11.821 1.825 0.752 0.787 0.889 0.556 CB 0.761 19 residues pruned to eliminate duplicates Z: 15 19.256 2.043 0.921 0.921 1.000 0.643 CB 0.923 22 residues pruned to eliminate duplicates Z: 16 17.514 1.974 0.981 0.866 1.000 0.533 CB 0.847 16 residues pruned to eliminate duplicates Z: 15 15.503 1.969 1.140 0.840 0.857 0.357 CB 0.856 15 residues pruned to eliminate duplicates Z: 15 15.271 2.001 0.924 0.881 0.929 0.143 CB 0.827 15 residues pruned to eliminate duplicates Z: 16 17.626 2.005 1.107 0.875 0.933 0.600 CB 0.840 16 residues pruned to eliminate duplicates Z: 14 16.847 2.016 1.284 0.897 0.923 0.154 CB 0.787 14 residues pruned to eliminate duplicates Z: 52 35.586 2.002 0.711 0.710 0.941 0.529 CB 1.278 52 residues pruned to eliminate duplicates Z: 13 12.749 1.978 1.161 0.764 0.833 0.333 CB 0.817 13 residues pruned to eliminate duplicates Z: 18 14.760 1.888 0.897 0.593 0.824 0.235 CB 1.110 18 residues pruned to eliminate duplicates Z: 20 12.785 1.891 0.919 0.569 0.842 0.474 CB 0.898 20 residues pruned to eliminate duplicates Z: 35 26.248 2.010 0.753 0.707 0.824 0.529 CB 1.285 35 residues pruned to eliminate duplicates Z: 39 35.715 2.010 0.719 0.724 0.947 0.711 CA 1.446 39 residues pruned to eliminate duplicates Z: 20 26.036 1.964 0.663 0.908 1.000 0.684 CB 1.298 20 residues pruned to eliminate duplicates Z: 38 35.415 2.044 0.661 0.727 0.973 0.676 CA 1.436 38 residues pruned to eliminate duplicates Z: 37 26.970 1.928 0.521 0.705 0.917 0.444 CA 1.389 37 residues pruned to eliminate duplicates Z: 35 28.448 2.028 0.556 0.674 0.971 0.765 CA 1.357 35 residues pruned to eliminate duplicates Z: 32 29.080 2.083 0.602 0.706 0.935 0.710 CA 1.387 32 residues pruned to eliminate duplicates Z: 34 28.749 2.051 0.614 0.688 0.879 0.758 CA 1.448 34 residues pruned to eliminate duplicates Z: 19 23.749 2.059 0.816 0.757 0.833 0.611 CA 1.429 19 residues pruned to eliminate duplicates Z: 26 20.829 1.883 0.797 0.643 0.800 0.600 CA 1.347 26 residues pruned to eliminate duplicates Z: 38 34.908 2.035 0.784 0.697 0.946 0.649 CA 1.396 38 residues pruned to eliminate duplicates Z: 39 35.322 2.034 0.625 0.740 0.974 0.684 CA 1.436 39 residues pruned to eliminate duplicates Z: 35 33.925 2.044 0.654 0.718 0.971 0.676 CA 1.456 35 residues pruned to eliminate duplicates Z: 34 27.774 1.994 0.666 0.655 0.939 0.606 CA 1.342 34 residues pruned to eliminate duplicates Z: 51 36.651 2.039 0.661 0.711 0.960 0.600 CB 1.317 51 residues pruned to eliminate duplicates Z: 21 35.041 2.109 0.898 0.823 0.950 0.700 CA 1.557 21 residues pruned to eliminate duplicates Z: 17 21.875 2.125 0.730 0.725 0.812 0.625 CA 1.494 17 residues pruned to eliminate duplicates Z: 37 34.125 2.042 0.685 0.728 0.944 0.722 CA 1.426 37 residues pruned to eliminate duplicates Z: 54 41.366 2.037 0.770 0.756 0.943 0.585 CB 1.330 52 residues pruned to eliminate duplicates Z: 7 2.369 1.614 0.075 0.347 0.667 0.500 CA 0.987 7 residues pruned to eliminate duplicates Z: 39 35.746 2.036 0.696 0.726 0.974 0.711 CA 1.407 39 residues pruned to eliminate duplicates Z: 13 19.200 2.034 0.491 0.784 1.000 0.667 CA 1.423 13 residues pruned to eliminate duplicates Z: 43 31.686 1.989 0.616 0.674 0.905 0.643 CB 1.432 43 residues pruned to eliminate duplicates Z: 17 23.674 2.006 0.750 0.693 1.000 0.688 CA 1.413 17 residues pruned to eliminate duplicates Z: 12 20.044 2.031 0.769 0.915 0.909 0.636 CA 1.308 12 residues pruned to eliminate duplicates Z: 52 44.107 2.026 0.857 0.739 0.941 0.627 CB 1.407 52 residues pruned to eliminate duplicates Z: 15 19.319 1.981 0.698 0.777 1.000 0.643 CA 1.201 15 residues pruned to eliminate duplicates Z: 13 22.495 2.108 0.733 0.775 1.000 0.750 CA 1.394 13 residues pruned to eliminate duplicates Z: 38 33.732 2.054 0.710 0.710 0.919 0.622 CA 1.420 38 residues pruned to eliminate duplicates Z: 34 37.766 2.088 0.827 0.743 0.970 0.636 CA 1.430 34 residues pruned to eliminate duplicates Z: 11 23.017 2.073 0.900 0.907 0.900 0.700 CA 1.459 11 residues pruned to eliminate duplicates Z: 39 33.614 2.020 0.735 0.708 0.947 0.500 CA 1.359 39 residues pruned to eliminate duplicates Z: 13 7.825 1.763 0.568 0.287 0.917 0.417 CB 1.132 Z: 7 4.175 1.708 0.541 0.354 0.833 0.667 CA 0.910 8 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 12 B: 7 C: 10 D: 13 E: 7 F: 29 G: 61 H: 27 I: 61 J: 29 K: 7 L: 110 M: 56 N: 8 CC for partial structure against native data = 32.28 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.442, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.512, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.604, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.604, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.610, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.610, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.613, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.614, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.616, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.617, Connect. = 0.762 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.50 - 3.56 - 3.10 - 2.81 - 2.61 - 2.46 - 2.33 - 2.23 - 2.14 - 2.05 0.741 0.748 0.714 0.706 0.668 0.654 0.631 0.569 0.585 0.583 0.902 0.900 0.884 0.877 0.838 0.825 0.826 0.865 0.820 0.796 N 4557 4560 4606 4652 4500 4412 4744 4459 4546 4421 Estimated mean FOM = 0.660 Pseudo-free CC = 68.80 % Best trace (cycle 1 with CC 39.36%) was saved as ./2afb-2.0-parrot-hancs/2afb-2.0-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.0 - Setup, data input and phasing 18.9 - FFTs and peak-searches 24.8 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1470.0 - Tripeptide search 10776.4 - Chain tracing 0.0 - NCS analysis 53.0 - B-value refinement for trace 0.6 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 19:53:41 Total time: 12346.36 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 206.87 Used memory is bytes: 5333776