null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:35:40 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: ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.ins Phases from ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.phi Native data from ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.hkl Listing output to ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.lst Phases output to ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.phs Poly-Ala trace output to ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 38281 Reflections read from file ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.phi 38281 Reflections read from file ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.hkl 38281 Unique data, highest resolution = 1.701 Angstroms Anisotropic scaling: intensities multiplied by 0.000173h^2 -0.000358k^2 +0.000126l^2 +0.000000kl +0.000000hl +0.000000hk 182 Reflections with d > 1.901 and 0 in range 1.901 > d > 1.701 added Density sharpening factor set to 1.20 Fourier grid = 128 x 128 x 52 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.726 = 0.300, Contrast = 0.302, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.373, Connect. = 0.737 for dens.mod. cycle 2 = 0.300, Contrast = 0.444, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.468, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.481, Connect. = 0.766 for dens.mod. cycle 5 = 0.300, Contrast = 0.490, Connect. = 0.768 for dens.mod. cycle 6 = 0.300, Contrast = 0.497, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.503, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.507, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.510, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2417 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 479 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 27.663 2.241 0.861 0.916 1.000 0.889 CB 1.561 B: 10 27.833 2.252 0.899 0.914 1.000 0.889 CB 1.534 10 residues pruned to eliminate duplicates C: 11 18.585 2.042 0.582 0.840 1.000 0.800 CB 1.357 D: 12 21.443 2.050 0.686 0.795 1.000 0.727 CB 1.445 11 residues pruned to eliminate duplicates E: 15 22.038 2.102 0.953 0.816 0.929 0.714 CB 1.174 F: 21 15.892 2.001 0.742 0.313 0.950 0.500 CB 1.319 G: 9 15.921 2.216 0.420 0.850 0.875 0.625 CB 1.515 9 residues pruned to eliminate duplicates H: 13 23.301 2.029 0.712 0.826 1.000 0.750 CA 1.460 12 residues pruned to eliminate duplicates I: 15 29.311 2.068 1.361 0.901 0.857 0.643 CB 1.336 15 residues pruned to eliminate duplicates J: 64 46.176 2.178 0.901 0.580 0.937 0.635 CB 1.389 15 residues pruned to eliminate duplicates K: 14 22.719 2.104 0.879 0.921 0.923 0.692 CB 1.215 14 residues pruned to eliminate duplicates L: 14 26.179 2.105 0.966 0.902 0.923 0.846 CB 1.355 14 residues pruned to eliminate duplicates M: 14 29.591 2.153 1.236 0.846 1.000 0.538 CB 1.267 14 residues pruned to eliminate duplicates N: 12 23.953 2.065 0.824 0.840 1.000 1.000 CA 1.431 12 residues pruned to eliminate duplicates O: 15 31.224 2.057 1.234 0.862 1.000 0.786 CB 1.333 15 residues pruned to eliminate duplicates P: 36 25.886 1.901 0.778 0.654 0.914 0.629 CB 1.227 36 residues pruned to eliminate duplicates Q: 41 42.697 2.155 1.090 0.700 0.950 0.750 CB 1.315 41 residues pruned to eliminate duplicates R: 13 20.288 1.960 0.764 0.868 1.000 0.833 CB 1.238 12 residues pruned to eliminate duplicates S: 11 31.612 2.222 0.960 0.906 1.000 0.900 CA 1.633 11 residues pruned to eliminate duplicates T: 10 24.388 2.112 0.870 0.916 1.000 0.889 CB 1.454 10 residues pruned to eliminate duplicates U: 20 26.861 1.994 1.125 0.630 0.947 0.632 CB 1.359 V: 73 46.718 2.030 0.947 0.654 0.917 0.625 CB 1.317 W: 45 37.450 2.194 1.005 0.506 0.932 0.523 CB 1.369 45 residues pruned to eliminate duplicates X: 20 20.490 2.032 0.676 0.578 0.947 0.684 CB 1.352 20 residues pruned to eliminate duplicates Y: 20 25.083 2.020 0.755 0.602 1.000 0.737 CB 1.474 20 residues pruned to eliminate duplicates Z: 8 5.708 1.753 0.409 0.310 0.857 0.429 CB 1.257 Z: 15 11.160 1.780 0.625 0.515 0.929 0.643 CB 1.094 Z: 157 59.101 2.002 0.826 0.555 0.917 0.603 CB 1.337 125 residues pruned to eliminate duplicates Z: 10 9.183 1.788 0.851 0.523 0.889 0.778 CB 1.018 10 residues pruned to eliminate duplicates Z: 13 15.713 1.969 0.614 0.742 0.833 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 44 27.291 1.933 0.991 0.514 0.860 0.512 CB 1.239 44 residues pruned to eliminate duplicates Z: 17 18.686 1.829 0.571 0.837 1.000 0.750 CB 1.217 17 residues pruned to eliminate duplicates Z: 37 35.127 1.998 1.130 0.598 0.944 0.583 CB 1.327 37 residues pruned to eliminate duplicates Z: 15 26.817 2.051 1.065 0.882 0.929 0.857 CB 1.318 15 residues pruned to eliminate duplicates Z: 16 17.806 1.927 0.296 0.841 1.000 0.667 CB 1.373 16 residues pruned to eliminate duplicates Z: 14 25.968 2.109 1.187 0.921 0.923 0.846 CB 1.190 14 residues pruned to eliminate duplicates Z: 15 18.571 1.917 0.542 0.823 1.000 0.786 CB 1.269 15 residues pruned to eliminate duplicates Z: 34 26.341 2.086 0.842 0.685 0.848 0.667 CB 1.187 34 residues pruned to eliminate duplicates Z: 12 26.449 2.136 0.992 0.775 1.000 0.727 CA 1.470 12 residues pruned to eliminate duplicates Z: 16 16.380 1.804 0.846 0.714 0.933 0.533 CB 1.121 16 residues pruned to eliminate duplicates Z: 14 17.111 1.805 0.555 0.920 1.000 0.923 CB 1.191 Z: 27 18.559 1.975 0.922 0.452 0.962 0.692 CB 1.048 15 residues pruned to eliminate duplicates Z: 13 22.400 1.946 0.794 0.885 1.000 1.000 CB 1.337 14 residues pruned to eliminate duplicates Z: 13 15.268 1.874 0.421 0.822 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 11 17.792 1.911 0.644 0.850 1.000 0.700 CB 1.326 11 residues pruned to eliminate duplicates Z: 11 20.988 2.042 1.172 0.775 0.900 0.500 CB 1.304 11 residues pruned to eliminate duplicates Z: 25 32.122 2.027 1.032 0.865 0.875 0.667 CB 1.332 25 residues pruned to eliminate duplicates Z: 22 23.349 1.963 0.776 0.674 0.952 0.667 CB 1.307 22 residues pruned to eliminate duplicates Z: 66 30.398 1.887 0.653 0.553 0.923 0.692 CB 1.244 66 residues pruned to eliminate duplicates Z: 15 18.110 2.016 0.902 0.644 0.929 0.714 CB 1.189 15 residues pruned to eliminate duplicates Z: 23 21.127 1.876 0.667 0.500 1.000 0.591 CB 1.440 23 residues pruned to eliminate duplicates Z: 11 18.859 2.099 1.081 0.580 1.000 0.700 CB 1.264 15 residues pruned to eliminate duplicates Z: 17 21.309 1.997 0.558 0.780 0.938 0.688 CB 1.427 17 residues pruned to eliminate duplicates Z: 14 19.033 1.999 0.524 0.878 1.000 0.846 CB 1.258 14 residues pruned to eliminate duplicates Z: 13 20.962 1.928 0.896 0.862 1.000 0.667 CB 1.215 12 residues pruned to eliminate duplicates Z: 80 44.050 1.984 0.915 0.587 0.949 0.633 CB 1.263 80 residues pruned to eliminate duplicates Z: 14 20.855 1.800 0.955 0.856 1.000 0.538 CB 1.212 14 residues pruned to eliminate duplicates Z: 28 23.160 1.932 0.808 0.652 0.926 0.556 CB 1.196 28 residues pruned to eliminate duplicates Z: 10 22.956 2.248 0.688 0.916 0.889 0.889 CB 1.602 10 residues pruned to eliminate duplicates Z: 57 40.056 2.069 1.015 0.561 0.875 0.625 CB 1.383 57 residues pruned to eliminate duplicates Z: 10 13.301 1.937 0.298 0.805 1.000 0.556 CB 1.352 Z: 9 15.307 1.854 0.550 0.819 1.000 0.875 CB 1.428 9 residues pruned to eliminate duplicates Z: 24 16.479 1.913 0.951 0.401 0.870 0.565 CB 1.175 24 residues pruned to eliminate duplicates Z: 13 13.739 2.043 0.666 0.443 0.833 0.583 CB 1.482 Z: 11 24.282 2.083 0.978 0.839 1.000 0.800 CB 1.392 11 residues pruned to eliminate duplicates Z: 31 35.986 2.212 1.134 0.618 0.933 0.700 CB 1.334 31 residues pruned to eliminate duplicates Z: 54 35.887 2.017 1.009 0.544 0.887 0.566 CB 1.313 54 residues pruned to eliminate duplicates Z: 21 20.595 1.955 0.726 0.568 1.000 0.650 CB 1.277 21 residues pruned to eliminate duplicates Z: 14 19.965 1.759 0.871 0.919 1.000 0.846 CB 1.185 14 residues pruned to eliminate duplicates Z: 75 39.099 2.065 0.842 0.517 0.878 0.649 CB 1.338 75 residues pruned to eliminate duplicates Z: 14 11.443 1.803 0.489 0.569 0.923 0.615 CB 1.198 8 residues pruned to eliminate duplicates Z: 41 38.502 2.122 0.947 0.589 0.925 0.700 CB 1.463 37 residues pruned to eliminate duplicates Z: 16 11.121 1.923 0.812 0.311 0.800 0.400 CB 1.271 7 residues pruned to eliminate duplicates Z: 12 13.090 1.855 0.753 0.535 0.909 0.818 CB 1.290 12 residues pruned to eliminate duplicates Z: 13 22.482 1.987 0.861 0.802 1.000 0.750 CA 1.348 13 residues pruned to eliminate duplicates Z: 19 27.848 1.923 0.964 0.823 1.000 0.778 CB 1.313 19 residues pruned to eliminate duplicates Z: 91 42.455 1.996 0.833 0.570 0.878 0.611 CB 1.303 91 residues pruned to eliminate duplicates Z: 13 9.919 1.641 0.546 0.443 0.917 0.333 CB 1.305 13 residues pruned to eliminate duplicates Z: 6 10.025 1.738 0.771 0.534 1.000 0.200 CB 1.410 6 residues pruned to eliminate duplicates Z: 13 9.435 1.912 0.510 0.441 0.833 0.500 CB 1.202 13 residues pruned to eliminate duplicates Z: 14 18.141 1.816 0.672 0.878 1.000 0.923 CB 1.203 14 residues pruned to eliminate duplicates Z: 37 34.919 2.122 0.930 0.558 0.917 0.639 CB 1.465 37 residues pruned to eliminate duplicates Z: 11 10.187 1.887 0.562 0.455 0.900 0.700 CB 1.271 9 residues pruned to eliminate duplicates Z: 7 7.888 2.088 0.656 0.469 0.833 0.667 CB 1.153 7 residues pruned to eliminate duplicates Z: 8 9.090 1.972 0.806 0.548 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 7 16.799 2.193 1.027 0.547 1.000 0.667 CB 1.474 7 residues pruned to eliminate duplicates Z: 20 23.213 1.883 0.820 0.818 0.895 0.737 CA 1.317 20 residues pruned to eliminate duplicates Z: 24 25.843 2.134 1.086 0.614 0.957 0.565 CB 1.136 24 residues pruned to eliminate duplicates Z: 12 20.182 2.025 0.708 0.860 0.909 0.636 CB 1.423 12 residues pruned to eliminate duplicates Z: 43 40.193 2.077 1.080 0.638 0.905 0.619 CB 1.394 43 residues pruned to eliminate duplicates Z: 46 34.658 2.150 1.100 0.497 0.867 0.444 CB 1.324 46 residues pruned to eliminate duplicates Z: 22 15.267 1.924 0.729 0.363 0.857 0.571 CB 1.353 13 residues pruned to eliminate duplicates Z: 12 10.207 1.794 0.381 0.514 0.909 0.636 CB 1.348 11 residues pruned to eliminate duplicates Z: 8 9.803 1.775 0.302 0.812 1.000 0.714 CA 1.222 8 residues pruned to eliminate duplicates Z: 19 26.578 2.091 1.315 0.629 0.944 0.556 CB 1.214 19 residues pruned to eliminate duplicates Z: 7 8.408 1.984 0.919 0.475 0.667 0.500 C 1.387 7 residues pruned to eliminate duplicates Z: 10 11.621 1.676 0.406 0.883 1.000 1.000 CB 1.188 10 residues pruned to eliminate duplicates Z: 19 21.676 2.176 0.759 0.460 0.944 0.556 CB 1.472 20 residues pruned to eliminate duplicates Z: 21 21.929 1.822 0.811 0.799 0.950 0.700 CB 1.205 21 residues pruned to eliminate duplicates Z: 10 8.364 2.068 0.366 0.438 0.889 0.778 CB 1.184 10 residues pruned to eliminate duplicates Z: 56 40.281 2.117 0.912 0.575 0.891 0.564 CB 1.402 56 residues pruned to eliminate duplicates Z: 9 8.831 1.821 0.949 0.506 0.875 0.750 CB 1.000 9 residues pruned to eliminate duplicates Z: 20 20.971 1.898 0.798 0.771 0.895 0.474 CB 1.240 20 residues pruned to eliminate duplicates Z: 11 10.380 1.880 0.567 0.524 0.900 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 25 21.638 1.936 0.978 0.453 1.000 0.708 CB 1.211 25 residues pruned to eliminate duplicates Z: 47 31.286 2.111 0.794 0.641 0.848 0.630 CB 1.260 46 residues pruned to eliminate duplicates Z: 21 24.704 1.820 0.869 0.802 0.950 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 35 25.565 1.933 0.794 0.567 0.971 0.559 CB 1.221 35 residues pruned to eliminate duplicates Z: 26 23.689 2.027 0.832 0.575 0.920 0.800 CB 1.290 26 residues pruned to eliminate duplicates Z: 25 17.004 1.885 0.881 0.414 0.875 0.667 CB 1.225 25 residues pruned to eliminate duplicates Z: 14 25.639 2.133 1.306 0.887 0.923 0.769 CB 1.129 14 residues pruned to eliminate duplicates Z: 46 37.205 2.178 1.024 0.520 0.911 0.644 CB 1.353 46 residues pruned to eliminate duplicates Z: 19 22.214 1.912 0.844 0.803 0.944 0.667 CB 1.206 19 residues pruned to eliminate duplicates Z: 11 11.858 1.875 0.613 0.585 1.000 0.500 CB 1.143 11 residues pruned to eliminate duplicates Z: 13 21.718 2.035 0.607 0.816 1.000 0.667 CB 1.457 13 residues pruned to eliminate duplicates Z: 61 44.903 2.155 0.966 0.596 0.933 0.567 CB 1.338 60 residues pruned to eliminate duplicates Z: 73 49.975 2.040 0.922 0.672 0.972 0.722 CB 1.319 73 residues pruned to eliminate duplicates Z: 9 6.677 1.576 0.564 0.369 0.875 0.375 CA 1.259 9 residues pruned to eliminate duplicates Z: 18 14.906 2.078 0.641 0.409 0.882 0.471 CB 1.322 18 residues pruned to eliminate duplicates Z: 12 20.903 2.058 0.832 0.820 1.000 0.455 CB 1.267 12 residues pruned to eliminate duplicates Z: 32 31.655 2.020 1.122 0.592 0.871 0.645 CB 1.394 32 residues pruned to eliminate duplicates Z: 56 41.350 2.005 0.913 0.617 0.945 0.655 CB 1.376 56 residues pruned to eliminate duplicates Z: 16 21.764 1.905 0.716 0.826 1.000 0.667 CB 1.296 16 residues pruned to eliminate duplicates Z: 53 26.099 1.986 0.749 0.421 0.865 0.404 CB 1.307 49 residues pruned to eliminate duplicates Z: 13 12.143 1.948 0.698 0.385 0.917 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 17 20.127 1.861 0.653 0.785 1.000 0.750 CB 1.273 17 residues pruned to eliminate duplicates Z: 22 18.125 2.042 0.712 0.401 0.905 0.381 CB 1.389 22 residues pruned to eliminate duplicates Z: 20 25.236 1.870 0.877 0.824 1.000 0.737 CB 1.245 20 residues pruned to eliminate duplicates Z: 54 33.141 2.018 0.859 0.565 0.887 0.623 CB 1.285 54 residues pruned to eliminate duplicates Z: 13 18.352 1.991 0.700 0.791 0.917 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 14 16.059 1.835 0.923 0.795 0.846 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 44 33.575 2.102 0.916 0.573 0.860 0.558 CB 1.377 44 residues pruned to eliminate duplicates Z: 12 15.854 2.040 0.384 0.915 0.909 0.909 CB 1.316 12 residues pruned to eliminate duplicates Z: 6 7.465 1.731 1.380 0.454 0.800 0.600 CB 1.062 6 residues pruned to eliminate duplicates Z: 35 38.105 2.054 1.047 0.689 0.971 0.618 CB 1.347 35 residues pruned to eliminate duplicates Z: 8 3.957 1.625 0.130 0.765 0.714 0.429 CA 0.901 8 residues pruned to eliminate duplicates Z: 36 31.205 2.016 0.869 0.602 0.914 0.600 CA 1.389 36 residues pruned to eliminate duplicates Z: 21 24.143 1.862 0.930 0.782 1.000 0.650 CB 1.171 21 residues pruned to eliminate duplicates Z: 37 24.232 2.064 0.670 0.423 0.917 0.556 CB 1.386 37 residues pruned to eliminate duplicates Z: 17 16.387 1.841 0.385 0.820 0.938 0.812 CB 1.298 17 residues pruned to eliminate duplicates Z: 16 15.302 1.898 0.148 0.878 1.000 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 13 21.412 2.061 0.649 0.822 1.000 0.667 CB 1.376 13 residues pruned to eliminate duplicates Z: 13 8.746 1.951 0.444 0.507 0.750 0.583 CA 1.187 11 residues pruned to eliminate duplicates Z: 46 31.632 2.005 0.897 0.544 0.889 0.556 CB 1.335 46 residues pruned to eliminate duplicates Z: 12 15.476 2.106 0.736 0.456 0.909 0.636 CA 1.468 12 residues pruned to eliminate duplicates Z: 35 24.926 1.966 0.801 0.567 0.912 0.735 CB 1.240 35 residues pruned to eliminate duplicates Z: 6 5.727 1.841 0.516 0.584 0.800 0.800 CA 1.058 6 residues pruned to eliminate duplicates Z: 6 4.978 1.805 0.531 0.483 0.800 0.800 CB 1.024 Z: 15 15.779 2.010 0.824 0.365 0.929 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 17 21.937 1.857 0.730 0.816 1.000 0.750 CB 1.297 17 residues pruned to eliminate duplicates Z: 8 9.818 1.789 0.549 0.790 1.000 0.857 CB 1.038 8 residues pruned to eliminate duplicates Z: 21 28.870 2.177 1.054 0.664 0.900 0.600 CB 1.378 21 residues pruned to eliminate duplicates Z: 65 44.767 2.148 0.887 0.577 0.938 0.562 CB 1.367 65 residues pruned to eliminate duplicates Z: 35 18.021 1.949 0.612 0.549 0.853 0.618 CB 1.099 35 residues pruned to eliminate duplicates Z: 65 33.784 2.064 0.754 0.530 0.859 0.578 CB 1.318 65 residues pruned to eliminate duplicates Z: 18 18.025 1.971 0.704 0.457 0.941 0.647 CB 1.446 18 residues pruned to eliminate duplicates Z: 37 33.884 2.076 0.994 0.590 0.889 0.667 CB 1.407 37 residues pruned to eliminate duplicates Z: 10 26.700 2.192 0.978 0.932 1.000 1.000 CB 1.434 10 residues pruned to eliminate duplicates Z: 13 13.602 1.982 0.713 0.433 0.917 0.583 CA 1.352 13 residues pruned to eliminate duplicates Z: 10 13.276 1.908 0.765 0.818 0.889 0.667 CB 1.122 10 residues pruned to eliminate duplicates Z: 10 15.710 2.072 0.247 0.910 1.000 0.889 CB 1.438 10 residues pruned to eliminate duplicates Z: 13 7.651 1.732 0.460 0.464 0.833 0.750 CB 1.087 13 residues pruned to eliminate duplicates Z: 19 23.046 2.103 0.791 0.645 0.944 0.667 CB 1.333 19 residues pruned to eliminate duplicates Z: 11 21.890 1.989 0.697 0.855 1.000 0.600 CB 1.513 11 residues pruned to eliminate duplicates Z: 10 9.911 1.912 0.720 0.430 0.889 0.667 CB 1.215 10 residues pruned to eliminate duplicates Z: 11 9.760 1.849 0.900 0.422 0.900 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 20 17.007 1.982 0.536 0.613 0.947 0.737 CB 1.216 20 residues pruned to eliminate duplicates Z: 6 5.555 1.538 1.259 0.432 0.800 0.600 CB 0.960 Z: 15 22.655 1.933 0.793 0.867 1.000 0.786 CB 1.279 15 residues pruned to eliminate duplicates Z: 21 19.724 1.840 0.744 0.814 0.950 0.750 CB 1.101 21 residues pruned to eliminate duplicates Z: 12 31.963 2.126 0.990 0.909 1.000 0.818 CB 1.617 12 residues pruned to eliminate duplicates Z: 34 36.255 2.067 1.180 0.612 0.909 0.545 CB 1.386 34 residues pruned to eliminate duplicates Z: 20 23.444 1.840 0.763 0.814 1.000 0.737 CB 1.262 20 residues pruned to eliminate duplicates Z: 44 27.736 1.987 0.811 0.595 0.860 0.558 CB 1.248 44 residues pruned to eliminate duplicates Z: 6 3.400 2.039 0.641 0.383 0.600 0.400 CB 0.858 6 residues pruned to eliminate duplicates Z: 22 20.256 2.029 0.902 0.375 0.905 0.476 CA 1.447 22 residues pruned to eliminate duplicates Z: 10 12.653 1.903 0.680 0.600 1.000 0.667 CB 1.199 10 residues pruned to eliminate duplicates Z: 11 9.592 1.866 0.631 0.488 0.800 0.600 CB 1.262 11 residues pruned to eliminate duplicates Z: 23 35.409 2.238 1.268 0.717 0.955 0.727 CB 1.280 23 residues pruned to eliminate duplicates Z: 9 7.978 1.757 0.608 0.779 0.875 0.750 CB 0.893 9 residues pruned to eliminate duplicates Z: 44 22.237 1.895 0.701 0.574 0.814 0.419 CB 1.204 44 residues pruned to eliminate duplicates Z: 22 25.732 2.079 0.924 0.645 0.905 0.714 CB 1.355 22 residues pruned to eliminate duplicates Z: 10 16.264 1.882 0.720 0.607 1.000 0.778 CB 1.512 10 residues pruned to eliminate duplicates Z: 95 46.313 2.069 0.885 0.507 0.904 0.617 CB 1.345 101 residues pruned to eliminate duplicates Z: 17 29.003 2.071 1.039 0.855 0.938 0.812 CB 1.351 17 residues pruned to eliminate duplicates Z: 20 21.337 1.889 0.857 0.833 0.789 0.684 CB 1.327 20 residues pruned to eliminate duplicates Z: 16 23.083 2.100 0.850 0.471 1.000 0.600 CB 1.580 16 residues pruned to eliminate duplicates Z: 13 5.786 1.678 0.611 0.371 0.750 0.583 CB 0.946 13 residues pruned to eliminate duplicates Z: 6 3.378 1.572 0.321 0.682 1.000 0.600 CB 0.615 Z: 9 11.919 1.767 0.767 0.870 1.000 0.625 CB 0.985 9 residues pruned to eliminate duplicates Z: 21 15.570 1.979 0.426 0.470 1.000 0.550 CB 1.272 21 residues pruned to eliminate duplicates Z: 21 18.623 2.009 0.783 0.425 0.950 0.550 CB 1.323 21 residues pruned to eliminate duplicates Z: 8 8.726 1.770 0.447 0.829 1.000 0.857 CB 0.969 8 residues pruned to eliminate duplicates Z: 53 39.463 2.002 0.988 0.627 0.942 0.635 CB 1.295 53 residues pruned to eliminate duplicates Z: 45 37.220 2.171 1.017 0.539 0.909 0.659 CB 1.357 45 residues pruned to eliminate duplicates Z: 11 12.608 2.039 0.997 0.548 0.900 0.800 CB 1.039 11 residues pruned to eliminate duplicates Z: 53 35.138 2.050 0.993 0.522 0.904 0.577 CB 1.291 59 residues pruned to eliminate duplicates Z: 10 13.127 2.044 0.385 0.856 0.889 0.556 CB 1.283 10 residues pruned to eliminate duplicates Z: 10 6.190 1.810 0.532 0.608 0.667 0.556 CA 1.007 10 residues pruned to eliminate duplicates Z: 26 18.288 1.874 0.975 0.467 0.840 0.680 CA 1.216 26 residues pruned to eliminate duplicates Z: 6 5.168 1.723 0.356 0.750 0.800 0.600 CA 0.990 6 residues pruned to eliminate duplicates Z: 9 9.660 1.882 0.509 0.332 0.875 0.750 CA 1.652 9 residues pruned to eliminate duplicates Z: 9 4.967 1.618 0.368 0.406 0.875 0.500 CB 1.001 9 residues pruned to eliminate duplicates Z: 49 31.158 1.993 0.861 0.556 0.896 0.583 CB 1.282 49 residues pruned to eliminate duplicates Z: 13 10.772 1.942 -0.070 0.893 1.000 1.000 CB 1.236 13 residues pruned to eliminate duplicates Z: 18 21.682 1.860 0.912 0.812 0.941 0.647 CB 1.198 18 residues pruned to eliminate duplicates Z: 11 5.676 1.809 0.666 0.172 0.900 0.600 CB 0.985 11 residues pruned to eliminate duplicates Z: 14 17.830 1.770 0.758 0.888 1.000 0.846 CB 1.145 14 residues pruned to eliminate duplicates Z: 20 24.422 1.806 1.055 0.784 0.895 0.474 CB 1.314 20 residues pruned to eliminate duplicates Z: 29 15.084 1.856 0.799 0.317 0.857 0.429 CB 1.219 50 residues pruned to eliminate duplicates Z: 16 16.381 1.799 0.521 0.857 0.933 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 12 18.988 2.045 0.732 0.789 0.909 0.455 CA 1.379 12 residues pruned to eliminate duplicates Z: 15 9.726 1.921 0.283 0.388 0.929 0.571 CB 1.279 Z: 13 19.078 1.854 0.709 0.884 1.000 0.667 CB 1.256 13 residues pruned to eliminate duplicates Z: 21 13.867 1.917 0.598 0.403 0.850 0.500 CB 1.318 36 residues pruned to eliminate duplicates Z: 7 4.620 1.789 0.567 0.541 0.667 0.667 CA 0.969 7 residues pruned to eliminate duplicates Z: 15 18.551 1.977 0.421 0.849 1.000 0.714 CB 1.309 15 residues pruned to eliminate duplicates Z: 12 12.471 2.007 0.393 0.445 1.000 0.545 CB 1.423 Z: 20 27.598 1.925 1.022 0.817 0.947 0.737 CB 1.304 20 residues pruned to eliminate duplicates Z: 8 9.966 1.738 0.896 0.617 0.857 0.714 CA 1.195 8 residues pruned to eliminate duplicates Z: 15 16.178 1.912 0.883 0.427 0.929 0.500 CB 1.395 12 residues pruned to eliminate duplicates Z: 32 21.066 1.954 0.848 0.470 0.903 0.452 CB 1.196 32 residues pruned to eliminate duplicates Z: 15 18.148 1.823 0.767 0.819 0.929 0.786 CB 1.229 15 residues pruned to eliminate duplicates Z: 37 22.955 1.944 0.708 0.570 0.889 0.639 CB 1.212 37 residues pruned to eliminate duplicates Z: 6 3.558 1.741 -0.022 0.705 0.600 0.400 CA 1.292 6 residues pruned to eliminate duplicates Z: 21 13.589 1.986 0.759 0.459 0.800 0.400 CB 1.134 21 residues pruned to eliminate duplicates Z: 15 23.391 2.028 1.290 0.859 0.929 0.786 CB 1.067 15 residues pruned to eliminate duplicates Z: 23 14.752 1.985 0.761 0.381 0.818 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 14 21.111 2.081 1.067 0.833 0.923 0.692 CB 1.107 14 residues pruned to eliminate duplicates Z: 7 10.312 1.804 1.048 0.891 0.833 0.833 CB 0.984 7 residues pruned to eliminate duplicates Z: 14 12.854 1.978 0.795 0.438 0.923 0.538 CB 1.160 14 residues pruned to eliminate duplicates Z: 6 5.649 1.660 0.198 0.731 0.800 0.200 CA 1.290 6 residues pruned to eliminate duplicates Z: 19 19.793 1.863 0.660 0.796 0.944 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 20 22.056 1.899 0.856 0.818 0.895 0.579 CB 1.217 20 residues pruned to eliminate duplicates Z: 65 34.122 1.917 0.827 0.564 0.906 0.562 CB 1.263 65 residues pruned to eliminate duplicates Z: 26 18.574 1.969 0.840 0.440 0.880 0.440 CB 1.239 26 residues pruned to eliminate duplicates Z: 17 17.022 1.807 0.485 0.824 1.000 0.938 CB 1.198 17 residues pruned to eliminate duplicates Z: 6 9.117 1.786 0.662 0.634 1.000 0.600 CB 1.212 6 residues pruned to eliminate duplicates Z: 20 21.353 1.846 0.710 0.794 0.947 0.368 CB 1.266 20 residues pruned to eliminate duplicates Z: 9 12.359 1.761 0.741 0.882 1.000 0.750 CB 1.031 9 residues pruned to eliminate duplicates Z: 6 2.987 1.412 0.433 0.512 0.800 0.600 CA 0.815 6 residues pruned to eliminate duplicates Z: 9 18.471 2.093 0.581 0.891 1.000 0.750 CB 1.419 9 residues pruned to eliminate duplicates Z: 12 6.791 1.785 0.669 0.436 0.818 0.364 CB 0.897 Z: 7 5.455 1.567 0.410 0.417 1.000 0.333 CB 1.100 7 residues pruned to eliminate duplicates Z: 6 2.455 1.391 0.411 0.461 0.800 0.400 CB 0.728 6 residues pruned to eliminate duplicates Z: 22 23.274 1.963 1.199 0.562 0.905 0.667 CB 1.224 22 residues pruned to eliminate duplicates Z: 15 16.802 2.016 0.732 0.883 0.857 0.857 CB 1.085 15 residues pruned to eliminate duplicates Z: 6 3.041 1.476 0.182 0.342 0.800 0.200 C 1.156 Z: 10 16.885 1.930 0.548 0.864 1.000 0.667 CB 1.381 10 residues pruned to eliminate duplicates Z: 9 12.301 1.761 0.691 0.704 1.000 0.750 CB 1.213 9 residues pruned to eliminate duplicates Z: 9 16.921 1.835 0.620 0.871 1.000 0.875 CB 1.467 9 residues pruned to eliminate duplicates Z: 12 23.049 1.978 0.963 0.863 1.000 0.727 CA 1.313 12 residues pruned to eliminate duplicates Z: 35 21.058 1.852 0.959 0.473 0.941 0.676 CB 1.087 35 residues pruned to eliminate duplicates Z: 8 10.988 1.991 0.975 0.462 0.857 0.857 CB 1.281 8 residues pruned to eliminate duplicates Z: 60 28.678 1.971 0.666 0.567 0.881 0.610 CB 1.208 60 residues pruned to eliminate duplicates Z: 25 18.953 1.937 0.785 0.429 1.000 0.667 CB 1.204 25 residues pruned to eliminate duplicates Z: 10 14.755 1.862 0.624 0.816 0.889 0.667 CB 1.391 10 residues pruned to eliminate duplicates Z: 15 24.013 2.048 1.065 0.872 0.929 0.786 CB 1.191 15 residues pruned to eliminate duplicates Z: 47 32.459 1.964 0.824 0.582 0.978 0.696 CB 1.262 47 residues pruned to eliminate duplicates Z: 20 18.501 2.084 0.866 0.422 0.895 0.632 CB 1.323 22 residues pruned to eliminate duplicates Z: 8 5.898 1.738 0.282 0.458 0.857 0.714 CB 1.219 8 residues pruned to eliminate duplicates Z: 7 4.432 1.497 0.380 0.532 0.667 0.667 CB 1.273 7 residues pruned to eliminate duplicates Z: 10 6.577 1.852 0.651 0.261 0.778 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 9 8.651 1.859 0.767 0.515 1.000 0.625 CB 0.918 9 residues pruned to eliminate duplicates Z: 12 7.791 1.716 0.616 0.411 0.818 0.545 C 1.137 12 residues pruned to eliminate duplicates Z: 17 12.984 1.917 0.877 0.516 0.750 0.688 CB 1.184 17 residues pruned to eliminate duplicates Z: 39 26.724 2.000 0.923 0.530 0.816 0.658 CB 1.342 39 residues pruned to eliminate duplicates Z: 7 10.718 1.798 0.625 0.871 1.000 1.000 CB 1.092 7 residues pruned to eliminate duplicates Z: 21 21.099 1.813 0.697 0.813 0.950 0.600 CB 1.230 21 residues pruned to eliminate duplicates Z: 18 18.613 1.988 0.750 0.401 0.941 0.588 CB 1.530 18 residues pruned to eliminate duplicates Z: 37 26.149 2.007 0.815 0.474 0.861 0.611 CB 1.426 37 residues pruned to eliminate duplicates Z: 12 8.964 1.780 0.350 0.515 1.000 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 7 5.993 1.879 0.192 0.374 0.833 0.500 CA 1.501 7 residues pruned to eliminate duplicates Z: 38 30.498 2.032 0.924 0.565 0.892 0.595 CB 1.351 38 residues pruned to eliminate duplicates Z: 23 33.517 2.140 0.806 0.824 0.955 0.636 CB 1.463 23 residues pruned to eliminate duplicates Z: 15 23.165 2.005 0.942 0.900 1.000 0.786 CB 1.136 15 residues pruned to eliminate duplicates Z: 18 28.198 2.066 1.305 0.633 0.941 0.706 CB 1.347 18 residues pruned to eliminate duplicates Z: 14 12.133 2.014 0.559 0.444 0.846 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 13 16.986 1.978 0.858 0.478 1.000 0.667 CB 1.364 13 residues pruned to eliminate duplicates Z: 13 16.629 1.880 0.619 0.880 1.000 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 6 2.524 1.509 -0.138 0.433 0.800 0.400 C 1.162 Z: 41 36.051 2.097 0.985 0.641 0.900 0.725 CB 1.334 41 residues pruned to eliminate duplicates Z: 78 44.044 2.014 0.888 0.628 0.909 0.597 CB 1.288 78 residues pruned to eliminate duplicates Z: 8 6.767 1.750 0.054 0.644 0.857 0.714 CA 1.414 8 residues pruned to eliminate duplicates Z: 12 16.521 1.943 1.287 0.548 0.909 0.545 CB 1.176 10 residues pruned to eliminate duplicates Z: 12 9.690 1.711 0.621 0.475 1.000 0.818 CB 1.080 12 residues pruned to eliminate duplicates Z: 10 13.949 2.016 0.794 0.614 0.889 0.667 CB 1.298 10 residues pruned to eliminate duplicates Z: 26 22.331 1.957 1.020 0.614 0.880 0.680 CB 1.153 26 residues pruned to eliminate duplicates Z: 7 5.205 1.455 0.271 0.757 1.000 0.833 CA 0.914 7 residues pruned to eliminate duplicates Z: 18 20.682 1.863 0.844 0.770 0.941 0.529 CB 1.223 18 residues pruned to eliminate duplicates Z: 8 8.995 1.752 0.452 0.839 1.000 0.714 CB 0.998 8 residues pruned to eliminate duplicates Z: 8 3.375 1.327 0.606 0.349 0.714 0.429 N 0.987 Z: 14 20.322 1.916 0.972 0.613 1.000 0.615 CA 1.341 14 residues pruned to eliminate duplicates Z: 14 30.983 2.066 1.401 0.747 1.000 0.846 CB 1.389 14 residues pruned to eliminate duplicates Z: 7 5.302 1.706 0.347 0.545 0.833 0.833 CB 1.081 6 residues pruned to eliminate duplicates Z: 9 10.326 1.935 0.235 0.552 1.000 0.750 CA 1.451 9 residues pruned to eliminate duplicates Z: 51 30.784 1.972 0.817 0.509 0.900 0.500 CB 1.338 51 residues pruned to eliminate duplicates Z: 12 10.377 1.965 0.325 0.715 0.909 0.636 CB 1.089 12 residues pruned to eliminate duplicates Z: 10 4.724 1.780 0.513 0.263 0.778 0.556 CB 0.986 10 residues pruned to eliminate duplicates Z: 79 44.373 1.967 0.914 0.614 0.962 0.564 CB 1.246 79 residues pruned to eliminate duplicates Z: 25 15.873 1.814 0.806 0.425 0.917 0.417 CB 1.167 25 residues pruned to eliminate duplicates Z: 11 9.124 1.786 0.509 0.700 0.800 0.500 CB 1.116 11 residues pruned to eliminate duplicates Z: 11 7.610 1.724 0.387 0.467 0.800 0.600 CB 1.300 8 residues pruned to eliminate duplicates 6 1.771 1.131 0.868 0.401 0.600 0.400 CA 0.693 ? Z: 18 23.141 2.036 1.023 0.720 0.941 0.882 CB 1.186 18 residues pruned to eliminate duplicates Z: 13 15.078 2.014 0.374 0.843 0.917 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 7 8.446 1.517 0.404 0.812 1.000 0.667 CB 1.234 7 residues pruned to eliminate duplicates Z: 27 16.140 1.895 0.913 0.448 0.846 0.577 CB 1.089 27 residues pruned to eliminate duplicates Z: 12 10.211 1.822 0.704 0.523 0.818 0.636 CB 1.186 12 residues pruned to eliminate duplicates Z: 14 18.432 1.927 0.696 0.724 0.923 0.615 CA 1.384 14 residues pruned to eliminate duplicates Z: 26 17.964 1.924 0.709 0.423 1.000 0.720 CB 1.184 26 residues pruned to eliminate duplicates Z: 16 11.622 1.974 0.777 0.321 0.800 0.533 CB 1.303 16 residues pruned to eliminate duplicates Z: 24 18.332 1.960 0.815 0.460 0.913 0.652 CB 1.225 24 residues pruned to eliminate duplicates Z: 8 2.875 1.754 0.001 0.413 0.714 0.571 CA 0.948 8 residues pruned to eliminate duplicates Z: 57 44.337 2.122 0.948 0.592 0.929 0.625 CB 1.413 57 residues pruned to eliminate duplicates Z: 56 41.481 2.059 0.877 0.604 0.964 0.582 CB 1.361 56 residues pruned to eliminate duplicates Z: 12 11.154 2.104 0.685 0.453 0.818 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 7 9.729 1.833 1.129 0.872 0.833 0.833 CB 0.891 7 residues pruned to eliminate duplicates Z: 20 13.961 1.667 1.029 0.541 0.842 0.684 CB 1.080 20 residues pruned to eliminate duplicates Z: 29 33.978 2.050 1.046 0.672 0.929 0.679 CB 1.406 29 residues pruned to eliminate duplicates Z: 17 27.107 1.936 0.984 0.803 1.000 0.625 CA 1.354 17 residues pruned to eliminate duplicates Z: 14 22.061 2.085 0.771 0.675 1.000 0.615 CB 1.410 14 residues pruned to eliminate duplicates Z: 12 4.909 1.591 0.750 0.455 0.727 0.545 CB 0.766 9 residues pruned to eliminate duplicates Z: 18 9.771 1.752 0.496 0.412 0.882 0.647 CB 1.123 18 residues pruned to eliminate duplicates Z: 11 6.061 1.662 0.544 0.406 0.900 0.600 CB 0.916 11 residues pruned to eliminate duplicates Z: 41 33.097 1.904 0.951 0.625 0.950 0.725 CB 1.318 41 residues pruned to eliminate duplicates Z: 6 3.429 1.239 0.417 0.537 0.800 0.800 N 1.052 Z: 6 5.122 1.750 0.016 0.863 0.800 0.600 CA 1.181 6 residues pruned to eliminate duplicates Z: 24 34.087 2.171 1.306 0.714 0.957 0.739 CB 1.222 24 residues pruned to eliminate duplicates Z: 17 14.806 1.857 0.845 0.374 1.000 0.750 CB 1.237 17 residues pruned to eliminate duplicates Z: 27 31.194 1.968 1.086 0.686 0.923 0.692 CB 1.361 27 residues pruned to eliminate duplicates Z: 9 5.531 1.587 0.365 0.466 0.875 0.375 CB 1.068 9 residues pruned to eliminate duplicates Z: 12 8.161 1.600 0.479 0.604 1.000 0.727 CA 0.941 12 residues pruned to eliminate duplicates Z: 6 4.303 1.418 1.041 0.608 1.000 0.600 CB 0.600 Z: 95 42.903 2.016 0.790 0.579 0.904 0.670 CB 1.257 107 residues pruned to eliminate duplicates Z: 11 10.009 2.050 0.724 0.393 0.800 0.400 CB 1.254 11 residues pruned to eliminate duplicates Z: 9 12.435 1.756 0.693 0.893 1.000 0.750 CB 1.062 9 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 10 B: 266 C: 7 D: 37 E: 23 CC for partial structure against native data = 40.67 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.339, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.390, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.465, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.471, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.480, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.485, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.492, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.496, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.500, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.502, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2517 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 506 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 25.872 2.209 0.713 0.832 1.000 0.900 CB 1.624 B: 12 26.803 2.235 0.593 0.897 1.000 0.818 CB 1.626 C: 14 34.179 2.145 1.233 0.887 1.000 0.923 CB 1.427 D: 11 25.624 2.301 0.626 0.882 1.000 0.600 CB 1.566 12 residues pruned to eliminate duplicates E: 14 21.891 1.978 0.649 0.767 1.000 0.538 CB 1.470 14 residues pruned to eliminate duplicates F: 12 19.551 2.157 0.449 0.825 0.909 0.818 CA 1.565 G: 15 38.083 2.126 1.277 0.912 1.000 0.786 CB 1.489 14 residues pruned to eliminate duplicates H: 12 7.904 2.055 0.560 0.364 0.818 0.455 CB 1.052 I: 14 36.035 2.148 1.174 0.885 1.000 0.615 CB 1.546 14 residues pruned to eliminate duplicates J: 29 35.758 2.061 1.023 0.674 0.929 0.536 CA 1.487 K: 12 22.843 1.969 0.639 0.872 1.000 0.909 CB 1.555 11 residues pruned to eliminate duplicates L: 16 15.481 2.050 0.588 0.323 1.000 0.467 CB 1.493 M: 17 21.514 1.879 0.673 0.801 1.000 0.688 CA 1.315 12 residues pruned to eliminate duplicates N: 10 23.334 2.305 0.669 0.928 1.000 1.000 CB 1.416 10 residues pruned to eliminate duplicates O: 63 38.747 2.112 0.926 0.521 0.887 0.516 CB 1.335 53 residues pruned to eliminate duplicates P: 108 50.545 2.132 0.666 0.556 0.907 0.645 CB 1.437 54 residues pruned to eliminate duplicates Q: 9 15.194 2.003 0.316 0.814 1.000 0.625 CA 1.552 R: 10 17.329 2.209 0.868 0.542 0.889 0.778 CB 1.512 S: 38 24.730 2.058 0.528 0.567 0.919 0.649 CB 1.318 38 residues pruned to eliminate duplicates T: 14 31.734 2.155 1.253 0.912 0.923 0.769 CB 1.391 14 residues pruned to eliminate duplicates U: 42 44.211 2.227 0.852 0.681 0.951 0.683 CB 1.489 40 residues pruned to eliminate duplicates V: 14 31.978 2.212 1.118 0.886 0.923 0.769 CB 1.479 14 residues pruned to eliminate duplicates W: 14 10.147 2.056 0.218 0.470 0.769 0.538 CB 1.507 14 residues pruned to eliminate duplicates X: 14 41.874 2.260 1.378 0.918 0.923 0.846 CB 1.651 14 residues pruned to eliminate duplicates Y: 28 21.234 1.981 1.011 0.455 0.815 0.481 CB 1.319 12 residues pruned to eliminate duplicates Z: 11 24.717 2.241 0.578 0.844 1.000 1.000 CB 1.645 10 residues pruned to eliminate duplicates Z: 154 63.221 2.103 0.705 0.554 0.915 0.614 CB 1.477 120 residues pruned to eliminate duplicates Z: 12 16.779 1.907 0.467 0.770 1.000 0.818 CB 1.424 11 residues pruned to eliminate duplicates Z: 11 18.505 1.999 0.429 0.908 1.000 0.800 CA 1.454 11 residues pruned to eliminate duplicates Z: 53 47.717 2.118 0.833 0.637 0.981 0.673 CB 1.529 53 residues pruned to eliminate duplicates Z: 25 31.182 2.135 0.556 0.856 0.958 0.708 CB 1.475 25 residues pruned to eliminate duplicates Z: 13 23.777 2.055 0.656 0.809 1.000 0.583 CB 1.541 13 residues pruned to eliminate duplicates Z: 45 44.919 2.278 0.889 0.466 0.955 0.500 CB 1.706 22 residues pruned to eliminate duplicates Z: 10 21.354 2.110 0.566 0.822 1.000 0.778 CB 1.629 10 residues pruned to eliminate duplicates Z: 14 30.214 2.126 1.145 0.829 0.923 0.846 CB 1.499 14 residues pruned to eliminate duplicates Z: 43 50.320 2.229 1.039 0.686 0.952 0.548 CB 1.512 43 residues pruned to eliminate duplicates Z: 14 36.263 2.160 1.347 0.873 1.000 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 34 28.537 1.968 0.789 0.637 0.879 0.515 CA 1.413 34 residues pruned to eliminate duplicates Z: 161 62.233 2.172 0.694 0.547 0.850 0.575 CB 1.503 161 residues pruned to eliminate duplicates Z: 26 30.476 2.006 0.717 0.847 0.960 0.640 CB 1.368 26 residues pruned to eliminate duplicates Z: 16 14.738 1.833 0.424 0.796 0.867 0.533 CA 1.298 16 residues pruned to eliminate duplicates Z: 20 28.642 2.020 0.812 0.830 1.000 0.737 CA 1.349 20 residues pruned to eliminate duplicates Z: 11 15.886 2.163 0.587 0.516 1.000 0.600 CB 1.441 10 residues pruned to eliminate duplicates Z: 72 52.854 2.110 0.823 0.638 0.944 0.634 CB 1.518 72 residues pruned to eliminate duplicates Z: 14 34.987 2.148 1.198 0.881 1.000 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 92 60.969 2.140 0.906 0.596 0.945 0.560 CB 1.512 92 residues pruned to eliminate duplicates Z: 16 31.972 2.079 1.061 0.867 0.933 0.667 CB 1.510 16 residues pruned to eliminate duplicates Z: 19 26.611 2.021 0.759 0.821 0.944 0.778 CB 1.414 19 residues pruned to eliminate duplicates Z: 11 15.255 2.142 0.394 0.734 0.900 0.800 CA 1.455 11 residues pruned to eliminate duplicates Z: 20 25.720 1.997 0.639 0.792 1.000 0.737 CA 1.395 20 residues pruned to eliminate duplicates Z: 10 17.545 2.067 0.578 0.827 0.889 0.778 CA 1.520 10 residues pruned to eliminate duplicates Z: 90 43.679 2.026 0.690 0.557 0.899 0.607 CB 1.424 90 residues pruned to eliminate duplicates Z: 12 17.365 1.924 0.493 0.856 1.000 0.818 CA 1.344 Z: 9 10.172 2.055 0.523 0.439 0.875 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 24 32.593 2.167 0.615 0.863 0.913 0.739 CB 1.561 24 residues pruned to eliminate duplicates Z: 12 12.657 1.882 0.805 0.484 0.909 0.545 CB 1.255 12 residues pruned to eliminate duplicates Z: 19 23.538 2.019 0.592 0.796 0.944 0.667 CA 1.410 19 residues pruned to eliminate duplicates Z: 121 49.865 2.093 0.601 0.557 0.900 0.542 CB 1.429 121 residues pruned to eliminate duplicates Z: 30 35.285 2.215 1.127 0.576 0.862 0.655 CB 1.499 30 residues pruned to eliminate duplicates Z: 66 49.581 2.101 0.841 0.692 0.908 0.677 CB 1.469 66 residues pruned to eliminate duplicates Z: 24 34.527 2.184 0.760 0.843 0.913 0.652 CB 1.527 24 residues pruned to eliminate duplicates Z: 10 19.832 2.169 0.291 0.927 1.000 1.000 CB 1.654 10 residues pruned to eliminate duplicates Z: 16 25.897 1.950 0.680 0.861 1.000 0.733 CA 1.500 16 residues pruned to eliminate duplicates Z: 13 21.869 2.028 0.856 0.788 0.917 0.750 CB 1.421 13 residues pruned to eliminate duplicates Z: 23 20.066 2.110 0.705 0.399 0.909 0.500 CA 1.456 22 residues pruned to eliminate duplicates Z: 15 8.910 1.880 0.541 0.428 0.714 0.571 CB 1.240 15 residues pruned to eliminate duplicates Z: 15 27.338 2.143 0.927 0.863 0.929 0.786 CB 1.397 15 residues pruned to eliminate duplicates Z: 12 17.880 2.057 0.252 0.889 1.000 0.909 CB 1.507 13 residues pruned to eliminate duplicates Z: 14 21.513 1.974 0.604 0.815 0.923 0.615 CA 1.552 14 residues pruned to eliminate duplicates Z: 10 7.860 1.774 0.768 0.502 0.889 0.778 CB 0.938 Z: 14 19.502 1.830 0.729 0.886 1.000 0.692 CB 1.234 12 residues pruned to eliminate duplicates Z: 25 17.927 1.967 0.603 0.511 0.917 0.708 CB 1.253 10 residues pruned to eliminate duplicates Z: 19 24.331 2.022 0.633 0.788 0.944 0.556 CA 1.428 19 residues pruned to eliminate duplicates Z: 18 33.798 2.092 1.001 0.828 0.941 0.882 CB 1.567 18 residues pruned to eliminate duplicates Z: 19 12.819 1.919 0.705 0.280 0.833 0.389 CB 1.421 19 residues pruned to eliminate duplicates Z: 55 40.084 2.070 0.716 0.609 0.944 0.648 CB 1.465 55 residues pruned to eliminate duplicates Z: 57 43.119 2.115 0.674 0.607 0.964 0.643 CB 1.525 57 residues pruned to eliminate duplicates Z: 7 7.194 1.855 0.146 0.618 1.000 0.500 CA 1.235 7 residues pruned to eliminate duplicates Z: 6 8.006 1.929 0.360 0.576 0.800 0.600 CB 1.584 6 residues pruned to eliminate duplicates Z: 48 41.839 2.150 0.858 0.544 0.936 0.596 CB 1.564 48 residues pruned to eliminate duplicates Z: 12 29.795 2.170 0.680 0.923 1.000 0.909 CB 1.731 12 residues pruned to eliminate duplicates Z: 14 25.235 2.064 0.894 0.856 0.923 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 31 29.687 2.106 0.953 0.602 0.867 0.767 CB 1.380 31 residues pruned to eliminate duplicates Z: 20 27.933 1.984 0.804 0.815 0.947 0.737 CA 1.437 20 residues pruned to eliminate duplicates Z: 19 13.958 1.986 0.667 0.314 0.944 0.500 CB 1.293 19 residues pruned to eliminate duplicates Z: 16 9.043 1.991 0.504 0.260 0.733 0.333 CB 1.399 16 residues pruned to eliminate duplicates Z: 11 12.264 1.963 0.648 0.507 0.800 0.700 CB 1.489 Z: 18 25.143 2.009 0.815 0.809 0.941 0.706 CA 1.358 18 residues pruned to eliminate duplicates Z: 8 13.638 1.971 0.677 0.854 1.000 0.857 CB 1.152 8 residues pruned to eliminate duplicates Z: 12 8.854 1.826 0.535 0.407 0.909 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 7 15.894 2.255 0.863 0.590 0.833 0.667 CA 1.701 7 residues pruned to eliminate duplicates Z: 55 43.173 2.087 0.704 0.601 0.963 0.630 CB 1.558 55 residues pruned to eliminate duplicates Z: 55 42.600 2.226 0.815 0.576 0.907 0.593 CB 1.470 55 residues pruned to eliminate duplicates Z: 15 10.510 2.103 0.416 0.332 0.857 0.500 CB 1.322 15 residues pruned to eliminate duplicates Z: 6 6.658 2.064 0.649 0.591 0.800 0.600 CB 1.003 6 residues pruned to eliminate duplicates Z: 25 18.015 2.053 0.797 0.415 0.875 0.583 CB 1.245 25 residues pruned to eliminate duplicates Z: 11 17.747 2.064 0.391 0.826 1.000 0.800 CA 1.474 11 residues pruned to eliminate duplicates Z: 13 16.992 1.977 0.279 0.862 1.000 0.833 CA 1.424 13 residues pruned to eliminate duplicates Z: 12 43.156 2.432 1.238 0.922 1.000 0.909 CB 1.681 12 residues pruned to eliminate duplicates Z: 7 10.258 1.928 0.786 0.611 1.000 0.667 CA 1.095 7 residues pruned to eliminate duplicates Z: 11 15.573 1.907 0.381 0.793 1.000 0.700 CB 1.447 10 residues pruned to eliminate duplicates Z: 23 30.996 2.097 0.852 0.630 0.955 0.636 CA 1.578 23 residues pruned to eliminate duplicates Z: 12 20.320 2.036 0.480 0.834 1.000 0.818 CB 1.525 12 residues pruned to eliminate duplicates Z: 15 26.084 2.090 1.128 0.865 0.929 0.500 CB 1.237 15 residues pruned to eliminate duplicates Z: 89 45.165 2.080 0.685 0.582 0.886 0.614 CB 1.433 89 residues pruned to eliminate duplicates Z: 15 33.014 2.160 0.997 0.904 0.929 0.643 CB 1.569 15 residues pruned to eliminate duplicates Z: 20 24.900 2.022 0.672 0.806 0.947 0.789 CA 1.366 20 residues pruned to eliminate duplicates Z: 15 28.439 2.098 0.707 0.873 1.000 0.714 CA 1.546 15 residues pruned to eliminate duplicates Z: 16 28.216 2.002 0.820 0.854 1.000 0.733 CA 1.477 16 residues pruned to eliminate duplicates Z: 6 7.435 1.744 0.261 0.744 1.000 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 43 29.243 2.104 0.659 0.552 0.881 0.667 CB 1.394 43 residues pruned to eliminate duplicates Z: 12 21.646 2.101 0.503 0.865 1.000 0.727 CB 1.515 12 residues pruned to eliminate duplicates Z: 43 43.750 2.309 0.869 0.521 0.929 0.643 CB 1.650 45 residues pruned to eliminate duplicates Z: 7 10.450 2.029 0.861 0.491 0.833 0.500 CB 1.369 7 residues pruned to eliminate duplicates Z: 30 19.490 2.023 0.678 0.390 0.759 0.517 CB 1.580 41 residues pruned to eliminate duplicates Z: 63 39.863 2.079 0.669 0.559 0.935 0.629 CB 1.472 63 residues pruned to eliminate duplicates Z: 11 7.588 1.914 0.244 0.409 0.900 0.500 CB 1.232 11 residues pruned to eliminate duplicates Z: 20 29.149 2.113 0.687 0.832 1.000 0.737 CB 1.409 20 residues pruned to eliminate duplicates Z: 13 9.409 1.984 0.598 0.437 0.750 0.250 CB 1.220 Z: 9 17.771 2.042 0.633 0.818 1.000 1.000 CB 1.429 9 residues pruned to eliminate duplicates Z: 52 38.631 2.089 0.836 0.534 0.922 0.608 CB 1.480 52 residues pruned to eliminate duplicates Z: 11 9.947 2.067 0.350 0.467 0.800 0.600 CA 1.457 11 residues pruned to eliminate duplicates Z: 9 13.382 1.920 0.566 0.824 1.000 0.750 CB 1.189 9 residues pruned to eliminate duplicates Z: 45 40.259 2.017 0.697 0.694 0.955 0.705 CB 1.557 45 residues pruned to eliminate duplicates Z: 21 13.921 1.985 0.700 0.305 0.750 0.450 CB 1.528 21 residues pruned to eliminate duplicates Z: 16 23.487 2.028 0.639 0.794 1.000 0.600 CA 1.410 16 residues pruned to eliminate duplicates Z: 12 22.881 2.060 0.799 0.844 1.000 0.545 CB 1.385 13 residues pruned to eliminate duplicates Z: 71 41.531 2.119 0.704 0.522 0.900 0.629 CB 1.495 70 residues pruned to eliminate duplicates Z: 11 12.811 1.974 0.241 0.784 1.000 0.700 CB 1.287 12 residues pruned to eliminate duplicates Z: 14 11.192 1.895 0.127 0.749 1.000 0.538 CB 1.164 14 residues pruned to eliminate duplicates Z: 6 3.415 1.647 0.151 0.637 0.800 0.600 CA 0.885 6 residues pruned to eliminate duplicates Z: 20 20.208 1.925 0.811 0.506 0.895 0.526 CA 1.477 20 residues pruned to eliminate duplicates Z: 25 26.960 2.095 0.468 0.851 1.000 0.667 CB 1.325 25 residues pruned to eliminate duplicates Z: 60 41.637 2.096 0.668 0.644 0.915 0.610 CB 1.481 60 residues pruned to eliminate duplicates Z: 58 32.253 2.031 0.836 0.463 0.825 0.544 CB 1.443 58 residues pruned to eliminate duplicates Z: 25 29.047 2.087 0.551 0.811 0.958 0.667 CB 1.457 25 residues pruned to eliminate duplicates Z: 19 25.751 2.009 0.827 0.834 0.889 0.722 CA 1.395 19 residues pruned to eliminate duplicates Z: 12 20.636 2.135 0.594 0.719 1.000 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 11 13.215 2.151 0.779 0.535 0.900 0.600 CB 1.173 Z: 23 20.471 1.952 0.859 0.470 0.864 0.545 CA 1.436 23 residues pruned to eliminate duplicates Z: 8 9.163 1.926 0.490 0.503 1.000 0.714 CB 1.204 8 residues pruned to eliminate duplicates Z: 19 22.560 2.020 0.614 0.810 0.944 0.722 CB 1.318 19 residues pruned to eliminate duplicates Z: 22 15.543 1.939 0.519 0.380 0.905 0.571 CB 1.446 22 residues pruned to eliminate duplicates Z: 11 13.973 2.050 0.369 0.811 0.800 0.600 CB 1.502 11 residues pruned to eliminate duplicates Z: 20 25.875 2.025 0.726 0.797 0.947 0.684 CA 1.382 20 residues pruned to eliminate duplicates Z: 17 20.233 1.901 0.499 0.801 0.938 0.750 CA 1.456 17 residues pruned to eliminate duplicates Z: 13 14.130 2.025 0.115 0.788 1.000 0.917 CA 1.402 12 residues pruned to eliminate duplicates Z: 16 22.375 2.218 0.670 0.432 1.000 0.533 CA 1.675 15 residues pruned to eliminate duplicates Z: 10 19.708 2.203 0.747 0.666 1.000 0.778 CA 1.463 11 residues pruned to eliminate duplicates Z: 9 14.371 2.184 0.627 0.588 1.000 0.875 CB 1.314 9 residues pruned to eliminate duplicates Z: 9 12.579 1.912 0.466 0.842 1.000 0.875 CB 1.182 9 residues pruned to eliminate duplicates Z: 30 33.345 2.122 0.857 0.659 0.897 0.724 CB 1.513 30 residues pruned to eliminate duplicates Z: 24 20.663 2.167 0.452 0.485 0.870 0.696 CB 1.599 24 residues pruned to eliminate duplicates Z: 7 4.429 1.827 0.260 0.520 0.667 0.500 CB 1.155 7 residues pruned to eliminate duplicates Z: 20 27.040 2.042 0.772 0.813 0.947 0.684 CA 1.379 20 residues pruned to eliminate duplicates Z: 6 9.999 1.830 0.522 0.628 1.000 1.000 CB 1.423 Z: 16 16.648 2.014 0.671 0.358 0.933 0.600 CB 1.595 21 residues pruned to eliminate duplicates Z: 19 24.905 2.028 0.612 0.835 1.000 0.722 CA 1.344 19 residues pruned to eliminate duplicates Z: 14 35.464 2.218 1.091 0.864 1.000 0.615 CB 1.554 14 residues pruned to eliminate duplicates Z: 33 28.721 2.049 1.033 0.552 0.781 0.531 CB 1.482 33 residues pruned to eliminate duplicates Z: 84 49.325 2.096 0.799 0.594 0.940 0.627 CB 1.397 84 residues pruned to eliminate duplicates Z: 78 46.357 2.209 0.757 0.531 0.870 0.545 CB 1.518 78 residues pruned to eliminate duplicates Z: 53 46.690 2.105 0.824 0.618 0.981 0.635 CB 1.537 53 residues pruned to eliminate duplicates Z: 7 3.676 1.574 0.484 0.538 0.667 0.667 CB 0.928 7 residues pruned to eliminate duplicates Z: 61 45.115 2.160 0.780 0.584 0.950 0.667 CB 1.470 61 residues pruned to eliminate duplicates Z: 57 38.237 2.125 0.766 0.583 0.893 0.554 CB 1.408 57 residues pruned to eliminate duplicates Z: 16 20.227 1.936 0.525 0.815 1.000 0.733 CA 1.345 16 residues pruned to eliminate duplicates Z: 33 21.191 1.939 0.681 0.462 0.938 0.562 CB 1.274 31 residues pruned to eliminate duplicates Z: 10 14.453 1.923 0.420 0.804 1.000 0.778 CB 1.354 10 residues pruned to eliminate duplicates Z: 6 6.528 1.652 0.268 0.810 1.000 1.000 CA 1.064 6 residues pruned to eliminate duplicates Z: 18 13.837 2.160 0.652 0.306 0.824 0.353 CB 1.417 18 residues pruned to eliminate duplicates Z: 6 18.519 1.990 1.292 0.719 1.000 1.000 CB 1.489 6 residues pruned to eliminate duplicates Z: 10 15.305 1.977 0.720 0.640 0.889 0.667 CA 1.481 10 residues pruned to eliminate duplicates Z: 14 12.764 1.904 0.608 0.462 0.923 0.692 CB 1.302 14 residues pruned to eliminate duplicates Z: 14 15.671 2.010 0.804 0.383 0.846 0.538 CA 1.605 15 residues pruned to eliminate duplicates Z: 13 14.403 2.014 0.642 0.586 1.000 0.750 CB 1.158 13 residues pruned to eliminate duplicates Z: 8 6.697 2.021 0.354 0.313 0.857 0.571 CB 1.327 8 residues pruned to eliminate duplicates Z: 29 17.718 1.933 0.625 0.384 0.964 0.643 CB 1.250 29 residues pruned to eliminate duplicates Z: 9 9.199 1.896 0.414 0.806 0.875 0.750 CB 1.062 9 residues pruned to eliminate duplicates Z: 19 21.009 2.164 0.427 0.676 0.889 0.667 CB 1.535 13 residues pruned to eliminate duplicates Z: 6 9.635 1.885 0.106 0.847 1.000 0.600 CA 1.534 6 residues pruned to eliminate duplicates Z: 19 10.152 1.844 0.413 0.371 0.778 0.444 CB 1.356 19 residues pruned to eliminate duplicates Z: 10 9.638 1.875 0.599 0.569 0.778 0.444 CB 1.290 10 residues pruned to eliminate duplicates Z: 21 25.500 1.969 0.782 0.808 0.950 0.750 CB 1.308 21 residues pruned to eliminate duplicates Z: 14 14.517 1.966 0.771 0.395 0.923 0.462 CA 1.401 14 residues pruned to eliminate duplicates Z: 13 15.838 1.987 1.178 0.520 0.750 0.583 CB 1.381 13 residues pruned to eliminate duplicates Z: 22 17.241 2.021 0.876 0.477 0.762 0.429 CB 1.333 22 residues pruned to eliminate duplicates Z: 15 19.270 1.941 0.403 0.867 1.000 0.714 CA 1.383 15 residues pruned to eliminate duplicates Z: 23 21.408 2.096 0.805 0.445 0.818 0.545 CA 1.561 23 residues pruned to eliminate duplicates Z: 15 11.083 1.949 0.693 0.417 0.786 0.500 CB 1.246 15 residues pruned to eliminate duplicates Z: 13 8.329 1.740 0.460 0.569 0.833 0.583 CB 1.063 12 residues pruned to eliminate duplicates Z: 11 16.680 2.248 0.014 0.931 1.000 1.000 CB 1.617 11 residues pruned to eliminate duplicates Z: 31 25.664 2.092 0.757 0.510 0.900 0.500 CB 1.401 30 residues pruned to eliminate duplicates Z: 7 7.947 1.555 0.573 0.717 1.000 0.667 CA 1.090 7 residues pruned to eliminate duplicates Z: 9 4.827 1.635 0.172 0.389 0.875 0.500 CB 1.145 8 residues pruned to eliminate duplicates Z: 24 30.771 2.130 0.718 0.854 0.870 0.739 CB 1.489 24 residues pruned to eliminate duplicates 6 1.256 1.358 1.021 0.486 0.800 0.600 CB 0.259 ? Z: 87 47.661 2.098 0.721 0.581 0.907 0.593 CB 1.451 87 residues pruned to eliminate duplicates Z: 20 28.558 2.034 0.833 0.831 0.947 0.737 CA 1.394 20 residues pruned to eliminate duplicates Z: 117 53.272 2.087 0.718 0.572 0.914 0.595 CB 1.408 117 residues pruned to eliminate duplicates Z: 16 17.934 1.922 0.389 0.851 0.867 0.800 CB 1.482 16 residues pruned to eliminate duplicates Z: 52 39.042 2.166 0.824 0.561 0.882 0.706 CB 1.478 52 residues pruned to eliminate duplicates Z: 6 4.080 1.595 -0.037 0.753 0.800 0.800 CA 1.185 6 residues pruned to eliminate duplicates Z: 95 49.711 2.127 0.722 0.541 0.947 0.521 CB 1.419 95 residues pruned to eliminate duplicates Z: 9 4.017 1.675 0.469 0.372 0.750 0.500 CB 0.882 9 residues pruned to eliminate duplicates Z: 10 7.458 1.873 0.568 0.483 1.000 0.556 CB 0.861 10 residues pruned to eliminate duplicates Z: 6 5.961 1.680 0.058 0.666 1.000 1.000 C 1.286 Z: 21 25.318 1.938 0.595 0.831 1.000 0.900 CA 1.376 21 residues pruned to eliminate duplicates Z: 49 38.020 2.079 0.827 0.563 0.938 0.562 CB 1.451 49 residues pruned to eliminate duplicates Z: 19 17.255 1.942 0.374 0.755 0.833 0.500 CA 1.456 19 residues pruned to eliminate duplicates Z: 11 8.177 1.676 0.684 0.597 0.900 0.800 CB 0.928 11 residues pruned to eliminate duplicates Z: 20 27.024 1.998 0.842 0.765 0.947 0.526 CB 1.405 20 residues pruned to eliminate duplicates Z: 6 7.395 1.754 0.421 0.760 1.000 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 14 16.602 1.801 0.393 0.931 1.000 0.846 CB 1.283 14 residues pruned to eliminate duplicates Z: 23 13.980 1.924 0.268 0.472 0.955 0.500 CB 1.317 23 residues pruned to eliminate duplicates Z: 21 24.079 1.933 0.894 0.795 0.900 0.600 CA 1.262 21 residues pruned to eliminate duplicates Z: 13 17.861 1.993 0.437 0.836 0.917 0.750 CB 1.471 13 residues pruned to eliminate duplicates Z: 34 41.056 2.114 1.063 0.671 0.939 0.636 CB 1.490 34 residues pruned to eliminate duplicates Z: 12 15.034 1.739 0.714 0.562 1.000 0.727 C 1.432 11 residues pruned to eliminate duplicates Z: 55 50.421 2.099 0.901 0.637 0.963 0.722 CB 1.571 55 residues pruned to eliminate duplicates Z: 27 18.339 2.027 0.815 0.433 0.885 0.615 CB 1.185 27 residues pruned to eliminate duplicates Z: 7 6.391 1.666 0.342 0.543 0.833 0.833 CB 1.343 7 residues pruned to eliminate duplicates Z: 11 22.867 2.080 0.664 0.866 1.000 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 31 26.714 2.078 0.837 0.558 0.900 0.600 CB 1.342 31 residues pruned to eliminate duplicates Z: 66 46.539 2.118 0.871 0.560 0.923 0.569 CB 1.489 66 residues pruned to eliminate duplicates Z: 17 26.976 1.890 0.897 0.829 1.000 0.875 CA 1.415 17 residues pruned to eliminate duplicates Z: 52 27.702 1.999 0.702 0.491 0.863 0.510 CB 1.333 52 residues pruned to eliminate duplicates Z: 18 14.502 2.099 0.688 0.378 0.941 0.412 CB 1.201 18 residues pruned to eliminate duplicates Z: 9 15.713 2.074 0.866 0.541 1.000 0.625 CB 1.379 12 residues pruned to eliminate duplicates Z: 8 4.483 1.542 0.209 0.663 0.714 0.429 CA 1.095 8 residues pruned to eliminate duplicates Z: 16 28.990 2.003 0.837 0.854 1.000 0.667 CA 1.503 16 residues pruned to eliminate duplicates 6 1.636 1.533 -0.184 0.414 1.000 0.600 CB 0.640 ? Z: 19 26.733 2.078 1.065 0.602 0.944 0.611 CB 1.410 19 residues pruned to eliminate duplicates Z: 85 36.512 2.102 0.548 0.566 0.833 0.536 CB 1.379 85 residues pruned to eliminate duplicates Z: 21 23.519 1.921 0.671 0.819 0.950 0.750 CA 1.308 21 residues pruned to eliminate duplicates Z: 14 18.228 2.035 1.016 0.525 0.769 0.615 CB 1.562 14 residues pruned to eliminate duplicates Z: 21 38.887 2.305 1.045 0.699 0.950 0.650 CB 1.620 21 residues pruned to eliminate duplicates Z: 11 15.249 1.996 0.442 0.809 0.900 0.500 CB 1.422 11 residues pruned to eliminate duplicates Z: 67 34.806 2.137 0.537 0.501 0.924 0.470 CB 1.409 67 residues pruned to eliminate duplicates Z: 14 13.298 1.861 0.542 0.650 0.923 0.462 CB 1.211 14 residues pruned to eliminate duplicates Z: 23 24.961 2.088 0.921 0.467 0.909 0.455 CB 1.509 23 residues pruned to eliminate duplicates Z: 19 25.541 2.004 0.841 0.797 0.944 0.778 CA 1.331 19 residues pruned to eliminate duplicates Z: 23 20.035 1.910 0.615 0.666 0.909 0.636 CB 1.306 23 residues pruned to eliminate duplicates Z: 53 33.043 2.007 0.605 0.556 0.923 0.519 CB 1.459 53 residues pruned to eliminate duplicates Z: 42 47.066 2.245 0.962 0.648 0.927 0.732 CB 1.569 42 residues pruned to eliminate duplicates Z: 6 4.523 1.575 0.954 0.447 0.800 0.600 CB 0.867 Z: 78 39.924 2.060 0.603 0.546 0.883 0.649 CB 1.491 78 residues pruned to eliminate duplicates Z: 50 35.869 2.101 0.676 0.624 0.918 0.653 CB 1.410 50 residues pruned to eliminate duplicates Z: 20 10.622 1.816 0.601 0.406 0.895 0.579 CB 1.034 20 residues pruned to eliminate duplicates Z: 10 3.958 1.531 0.451 0.643 0.889 0.889 CB 0.585 Z: 9 8.665 1.817 0.735 0.460 0.875 0.750 CB 1.157 9 residues pruned to eliminate duplicates Z: 14 13.675 1.955 0.662 0.512 0.923 0.615 CB 1.250 15 residues pruned to eliminate duplicates Z: 24 33.576 2.180 0.669 0.856 0.957 0.739 CB 1.483 24 residues pruned to eliminate duplicates Z: 12 19.472 2.036 0.701 0.750 0.909 0.364 CB 1.492 12 residues pruned to eliminate duplicates Z: 7 5.396 1.688 0.515 0.405 1.000 0.833 CB 0.952 7 residues pruned to eliminate duplicates Z: 36 29.491 2.027 0.792 0.517 0.914 0.457 CB 1.477 36 residues pruned to eliminate duplicates Z: 43 42.898 2.274 0.802 0.528 0.929 0.571 CB 1.693 44 residues pruned to eliminate duplicates Z: 15 17.097 1.869 0.609 0.760 0.857 0.643 CA 1.407 15 residues pruned to eliminate duplicates Z: 6 9.977 1.894 0.530 0.631 1.000 0.800 CB 1.362 6 residues pruned to eliminate duplicates Z: 52 44.136 2.139 0.815 0.623 0.922 0.667 CB 1.537 52 residues pruned to eliminate duplicates Z: 13 17.609 1.964 0.397 0.725 0.917 0.667 C 1.649 13 residues pruned to eliminate duplicates Z: 35 21.341 1.938 0.721 0.409 0.941 0.647 CB 1.283 35 residues pruned to eliminate duplicates Z: 73 38.419 2.089 0.898 0.465 0.833 0.556 CB 1.421 73 residues pruned to eliminate duplicates Z: 12 23.191 2.046 0.693 0.889 1.000 0.818 CB 1.453 12 residues pruned to eliminate duplicates Z: 7 2.412 1.323 0.584 0.182 0.667 0.333 C 1.033 Z: 99 45.802 2.094 0.607 0.543 0.898 0.561 CB 1.467 99 residues pruned to eliminate duplicates Z: 33 24.303 2.002 0.515 0.615 0.969 0.688 CB 1.312 33 residues pruned to eliminate duplicates Z: 6 2.671 1.247 0.680 0.317 0.800 0.600 CA 0.872 Z: 16 17.796 1.929 0.362 0.762 0.933 0.733 CB 1.486 16 residues pruned to eliminate duplicates Z: 6 5.986 1.443 0.940 0.744 0.800 0.600 CB 0.961 6 residues pruned to eliminate duplicates Z: 78 39.384 2.014 0.671 0.604 0.883 0.662 CB 1.368 78 residues pruned to eliminate duplicates Z: 12 4.525 1.726 0.160 0.318 0.727 0.636 CA 1.145 12 residues pruned to eliminate duplicates Z: 59 44.283 2.161 0.766 0.581 0.931 0.638 CB 1.514 59 residues pruned to eliminate duplicates Z: 10 6.864 1.753 0.461 0.478 0.889 0.556 CB 1.027 10 residues pruned to eliminate duplicates Z: 12 22.223 2.009 0.626 0.910 1.000 0.818 CA 1.455 12 residues pruned to eliminate duplicates Z: 14 14.512 1.938 0.870 0.467 0.846 0.538 CA 1.358 14 residues pruned to eliminate duplicates Z: 6 6.347 1.587 0.764 0.724 0.800 0.400 N 1.036 6 residues pruned to eliminate duplicates Z: 23 16.942 2.063 0.691 0.440 0.909 0.455 CB 1.212 23 residues pruned to eliminate duplicates Z: 16 22.230 1.956 0.542 0.845 1.000 0.867 CA 1.415 16 residues pruned to eliminate duplicates Z: 9 5.496 1.917 -0.137 0.550 1.000 0.750 CB 1.118 9 residues pruned to eliminate duplicates Z: 11 14.765 1.926 0.478 0.820 0.900 0.600 CB 1.381 11 residues pruned to eliminate duplicates Z: 39 34.578 2.104 0.783 0.526 0.947 0.553 CB 1.538 39 residues pruned to eliminate duplicates Z: 9 14.952 1.918 0.453 0.847 1.000 0.875 CB 1.408 9 residues pruned to eliminate duplicates Z: 10 22.378 2.187 0.479 0.907 1.000 1.000 CA 1.638 10 residues pruned to eliminate duplicates Z: 8 4.787 1.567 0.670 0.454 0.714 0.571 CB 1.015 8 residues pruned to eliminate duplicates Z: 25 19.801 2.115 0.749 0.437 0.917 0.667 CB 1.272 25 residues pruned to eliminate duplicates Z: 17 20.105 1.794 0.963 0.815 0.875 0.625 CA 1.240 17 residues pruned to eliminate duplicates Z: 25 32.698 2.107 0.668 0.808 0.958 0.583 CB 1.515 25 residues pruned to eliminate duplicates Z: 46 38.722 2.211 0.786 0.523 0.933 0.600 CB 1.531 46 residues pruned to eliminate duplicates Z: 7 7.082 1.896 0.375 0.566 0.833 0.833 CA 1.248 7 residues pruned to eliminate duplicates 6 1.186 1.039 0.514 0.299 0.800 0.600 CB 0.528 ? Z: 17 23.760 2.029 0.727 0.837 0.938 0.812 CA 1.353 17 residues pruned to eliminate duplicates Z: 6 7.037 2.039 0.066 0.463 1.000 0.600 CB 1.503 6 residues pruned to eliminate duplicates Z: 17 17.992 2.026 0.790 0.360 0.938 0.375 CB 1.538 14 residues pruned to eliminate duplicates Z: 12 5.542 1.635 0.384 0.399 0.727 0.455 CB 1.129 Z: 11 10.396 1.859 0.268 0.814 0.900 0.600 CB 1.180 11 residues pruned to eliminate duplicates Z: 26 20.894 2.096 0.676 0.417 0.960 0.600 CB 1.351 26 residues pruned to eliminate duplicates Z: 18 22.967 1.923 0.932 0.695 0.882 0.765 CB 1.423 18 residues pruned to eliminate duplicates Z: 13 5.451 1.712 0.638 0.271 0.750 0.583 CB 0.970 13 residues pruned to eliminate duplicates Z: 57 39.837 2.070 0.659 0.606 0.929 0.607 CB 1.509 57 residues pruned to eliminate duplicates Z: 37 35.259 2.078 0.929 0.635 0.917 0.611 CB 1.409 37 residues pruned to eliminate duplicates Z: 10 7.905 1.612 0.605 0.577 0.889 0.556 CB 1.064 10 residues pruned to eliminate duplicates Z: 12 20.175 1.894 0.743 0.869 0.909 0.909 CA 1.481 12 residues pruned to eliminate duplicates Z: 17 8.353 1.859 0.403 0.307 0.750 0.438 CB 1.322 17 residues pruned to eliminate duplicates Z: 7 14.603 2.026 0.564 0.847 1.000 0.833 CA 1.396 7 residues pruned to eliminate duplicates Z: 16 7.238 1.731 0.265 0.276 0.867 0.533 CA 1.268 16 residues pruned to eliminate duplicates Z: 13 16.649 2.107 0.587 0.563 0.917 0.750 CA 1.474 13 residues pruned to eliminate duplicates Z: 10 9.798 1.843 0.621 0.558 0.889 0.556 CB 1.162 10 residues pruned to eliminate duplicates Z: 19 13.781 1.985 0.677 0.387 0.833 0.667 CB 1.320 19 residues pruned to eliminate duplicates Z: 12 40.547 2.423 1.203 0.900 1.000 0.818 CB 1.636 12 residues pruned to eliminate duplicates Z: 7 12.167 1.961 0.706 0.843 1.000 0.667 CB 1.105 7 residues pruned to eliminate duplicates Z: 89 47.030 2.041 0.716 0.604 0.920 0.670 CB 1.409 89 residues pruned to eliminate duplicates 6 1.025 1.577 -0.246 0.334 0.800 0.400 CB 0.578 ? Z: 12 19.437 1.985 0.615 0.797 0.909 0.545 CA 1.550 12 residues pruned to eliminate duplicates Z: 9 7.191 1.769 0.012 0.807 0.875 0.625 CB 1.242 9 residues pruned to eliminate duplicates Z: 14 15.929 2.030 1.049 0.399 0.769 0.538 CA 1.536 15 residues pruned to eliminate duplicates 7 1.953 1.933 0.407 0.143 0.500 0.500 CB 0.912 ? Z: 41 29.845 2.025 0.747 0.507 0.900 0.625 CB 1.471 41 residues pruned to eliminate duplicates Z: 7 12.134 1.995 0.394 0.853 1.000 1.000 CB 1.317 7 residues pruned to eliminate duplicates Z: 47 41.981 2.042 0.847 0.637 0.957 0.652 CA 1.509 47 residues pruned to eliminate duplicates Z: 12 13.964 1.575 0.822 0.782 1.000 0.545 CB 1.144 12 residues pruned to eliminate duplicates Z: 60 32.603 2.099 0.721 0.527 0.864 0.559 CB 1.324 60 residues pruned to eliminate duplicates 6 1.630 1.277 -0.002 0.433 0.800 0.600 N 0.767 ? Z: 14 17.349 2.026 0.585 0.436 0.923 0.615 CB 1.735 14 residues pruned to eliminate duplicates Z: 7 2.839 1.422 0.400 0.218 0.833 0.500 CB 0.973 7 residues pruned to eliminate duplicates Z: 7 4.520 1.703 0.155 0.378 1.000 0.500 CA 1.068 7 residues pruned to eliminate duplicates Z: 13 7.129 1.457 0.654 0.283 0.917 0.417 C 1.190 13 residues pruned to eliminate duplicates Z: 14 39.502 2.158 1.299 0.881 0.923 0.769 CB 1.732 14 residues pruned to eliminate duplicates Z: 7 4.775 1.582 0.107 0.610 0.833 0.667 CB 1.204 Z: 10 6.997 1.729 0.712 0.407 0.667 0.444 CA 1.304 10 residues pruned to eliminate duplicates Z: 36 32.882 2.100 0.665 0.673 0.914 0.743 CB 1.482 36 residues pruned to eliminate duplicates Z: 62 37.060 2.160 0.740 0.475 0.869 0.525 CB 1.490 44 residues pruned to eliminate duplicates Z: 8 8.830 1.746 0.535 0.754 1.000 0.857 CA 0.993 8 residues pruned to eliminate duplicates Z: 11 12.590 1.864 0.239 0.806 0.900 0.500 CB 1.466 11 residues pruned to eliminate duplicates Z: 58 35.837 2.108 0.607 0.605 0.895 0.667 CB 1.417 58 residues pruned to eliminate duplicates Z: 11 21.037 2.008 0.572 0.847 1.000 0.700 CB 1.565 11 residues pruned to eliminate duplicates Z: 16 10.115 1.852 0.470 0.303 0.800 0.400 CA 1.492 16 residues pruned to eliminate duplicates Z: 7 4.193 1.711 -0.343 0.744 1.000 0.500 CB 1.224 7 residues pruned to eliminate duplicates Z: 63 34.462 2.031 0.622 0.545 0.919 0.613 CB 1.383 63 residues pruned to eliminate duplicates 6 0.972 1.072 0.330 0.392 1.000 0.600 CB 0.342 ? Z: 7 2.171 1.639 0.411 0.329 0.833 0.667 CB 0.555 7 residues pruned to eliminate duplicates Z: 6 3.095 1.456 0.191 0.527 0.800 0.600 C 0.972 Z: 14 11.745 1.997 0.547 0.308 0.846 0.462 CB 1.542 14 residues pruned to eliminate duplicates Z: 12 13.861 1.940 0.926 0.523 1.000 0.909 CB 1.093 12 residues pruned to eliminate duplicates Z: 42 50.974 2.196 1.012 0.684 0.976 0.561 CB 1.560 42 residues pruned to eliminate duplicates Z: 23 24.648 2.072 0.846 0.606 0.955 0.318 CB 1.301 24 residues pruned to eliminate duplicates Z: 20 27.823 2.000 0.751 0.842 1.000 0.895 CA 1.359 20 residues pruned to eliminate duplicates Z: 21 19.419 1.942 0.895 0.565 0.800 0.650 CB 1.385 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 20.139 2.118 0.556 0.812 1.000 0.778 CB 1.553 10 residues pruned to eliminate duplicates Z: 14 15.406 2.008 0.680 0.638 0.846 0.538 CB 1.316 14 residues pruned to eliminate duplicates Z: 27 10.245 1.671 0.394 0.417 0.808 0.462 CB 1.164 27 residues pruned to eliminate duplicates Z: 15 14.673 1.946 0.669 0.597 0.857 0.571 CB 1.284 15 residues pruned to eliminate duplicates Z: 15 15.485 1.923 0.763 0.597 0.857 0.500 CB 1.298 15 residues pruned to eliminate duplicates Z: 20 14.128 1.819 0.566 0.509 0.842 0.421 CB 1.339 20 residues pruned to eliminate duplicates Z: 16 12.040 1.932 0.682 0.539 0.800 0.400 CB 1.151 16 residues pruned to eliminate duplicates Z: 18 12.619 1.802 0.647 0.553 0.824 0.412 CB 1.189 12 residues pruned to eliminate duplicates Z: 6 2.608 1.539 0.213 0.156 0.800 0.400 CA 1.190 6 residues pruned to eliminate duplicates Z: 18 18.820 1.997 0.617 0.596 0.882 0.647 CB 1.462 29 residues pruned to eliminate duplicates 9 1.725 1.828 -0.067 0.259 0.625 0.375 CB 0.753 ? Z: 13 10.051 1.895 0.744 0.407 0.917 0.667 CB 1.056 13 residues pruned to eliminate duplicates Z: 16 12.128 2.035 0.423 0.333 0.867 0.533 CB 1.499 16 residues pruned to eliminate duplicates Z: 11 7.293 2.041 0.295 0.235 0.800 0.600 CB 1.484 11 residues pruned to eliminate duplicates Z: 11 6.752 1.910 0.375 0.279 0.800 0.500 CA 1.305 11 residues pruned to eliminate duplicates Z: 9 5.575 1.909 0.266 0.297 0.750 0.500 CB 1.363 9 residues pruned to eliminate duplicates Z: 11 7.666 2.034 0.470 0.167 0.900 0.700 CB 1.352 11 residues pruned to eliminate duplicates Z: 17 11.948 2.049 0.413 0.376 0.875 0.562 CB 1.346 17 residues pruned to eliminate duplicates Z: 30 23.280 2.115 0.508 0.471 0.897 0.586 CB 1.558 30 residues pruned to eliminate duplicates Z: 38 27.518 2.118 0.632 0.564 0.838 0.676 CB 1.468 38 residues pruned to eliminate duplicates Z: 47 30.456 2.126 0.585 0.591 0.848 0.696 CB 1.441 47 residues pruned to eliminate duplicates Z: 26 22.920 2.185 0.444 0.531 0.920 0.640 CB 1.531 26 residues pruned to eliminate duplicates Z: 16 18.913 2.106 0.544 0.661 0.867 0.600 CB 1.492 16 residues pruned to eliminate duplicates Z: 11 16.638 2.233 0.598 0.641 0.800 0.800 CB 1.615 11 residues pruned to eliminate duplicates Z: 10 20.453 2.155 0.943 0.682 1.000 0.667 CB 1.377 10 residues pruned to eliminate duplicates Z: 23 22.566 2.164 0.607 0.509 0.909 0.545 CB 1.507 23 residues pruned to eliminate duplicates Z: 57 31.608 2.091 0.556 0.569 0.911 0.625 CB 1.333 57 residues pruned to eliminate duplicates Z: 30 34.916 2.152 0.930 0.664 0.897 0.759 CB 1.497 30 residues pruned to eliminate duplicates Z: 43 47.471 2.198 0.876 0.658 0.952 0.690 CB 1.610 43 residues pruned to eliminate duplicates Z: 31 36.847 2.116 0.973 0.642 0.900 0.700 CB 1.567 31 residues pruned to eliminate duplicates Z: 31 32.065 2.124 0.876 0.633 0.867 0.633 CB 1.495 31 residues pruned to eliminate duplicates Z: 69 43.976 2.130 0.798 0.529 0.882 0.588 CB 1.533 69 residues pruned to eliminate duplicates Z: 31 37.974 2.139 1.069 0.627 0.900 0.767 CB 1.545 31 residues pruned to eliminate duplicates Z: 44 42.013 2.173 0.828 0.638 0.907 0.674 CB 1.564 44 residues pruned to eliminate duplicates Z: 28 36.782 2.234 0.953 0.712 0.889 0.704 CB 1.506 28 residues pruned to eliminate duplicates Z: 52 37.878 2.180 0.779 0.572 0.843 0.588 CB 1.513 52 residues pruned to eliminate duplicates Z: 30 35.885 2.095 0.972 0.660 0.931 0.724 CB 1.494 30 residues pruned to eliminate duplicates Z: 32 37.913 2.104 1.126 0.605 0.935 0.613 CB 1.473 32 residues pruned to eliminate duplicates Z: 57 41.886 2.169 0.859 0.512 0.929 0.589 CB 1.477 57 residues pruned to eliminate duplicates Z: 47 41.956 2.162 0.885 0.609 0.913 0.696 CB 1.498 47 residues pruned to eliminate duplicates Z: 38 35.180 2.189 0.828 0.560 0.892 0.622 CB 1.530 38 residues pruned to eliminate duplicates Z: 31 35.402 2.076 1.180 0.582 0.933 0.533 CB 1.414 31 residues pruned to eliminate duplicates Z: 29 32.193 2.149 0.876 0.637 0.929 0.714 CB 1.429 29 residues pruned to eliminate duplicates Z: 32 34.725 2.142 1.020 0.593 0.871 0.613 CB 1.514 32 residues pruned to eliminate duplicates Z: 18 26.927 2.121 1.152 0.564 0.882 0.765 CB 1.525 18 residues pruned to eliminate duplicates Z: 31 30.312 2.156 0.895 0.613 0.900 0.733 CB 1.352 31 residues pruned to eliminate duplicates Z: 32 37.271 2.211 0.935 0.568 0.903 0.548 CB 1.622 32 residues pruned to eliminate duplicates Z: 52 39.167 2.141 0.810 0.557 0.902 0.686 CB 1.485 52 residues pruned to eliminate duplicates Z: 50 34.796 2.119 0.822 0.514 0.878 0.633 CB 1.446 50 residues pruned to eliminate duplicates Z: 40 29.535 2.063 0.787 0.525 0.872 0.641 CB 1.436 40 residues pruned to eliminate duplicates Z: 60 44.604 2.146 0.879 0.561 0.898 0.678 CB 1.511 60 residues pruned to eliminate duplicates Z: 68 35.320 2.030 0.773 0.484 0.851 0.567 CB 1.432 68 residues pruned to eliminate duplicates Z: 43 46.295 2.209 0.941 0.647 0.929 0.714 CB 1.563 43 residues pruned to eliminate duplicates Z: 38 31.467 2.118 0.728 0.542 0.946 0.649 CB 1.434 39 residues pruned to eliminate duplicates Z: 14 17.852 1.996 0.529 0.721 0.923 0.615 CA 1.439 14 residues pruned to eliminate duplicates Z: 59 44.864 2.191 0.788 0.575 0.931 0.603 CB 1.502 59 residues pruned to eliminate duplicates Z: 73 47.497 2.162 0.845 0.509 0.903 0.597 CB 1.541 73 residues pruned to eliminate duplicates Z: 45 30.193 2.010 0.682 0.494 0.932 0.614 CB 1.453 45 residues pruned to eliminate duplicates Z: 42 39.471 2.149 0.794 0.564 0.927 0.683 CB 1.622 42 residues pruned to eliminate duplicates Z: 48 38.583 2.148 0.692 0.551 0.957 0.638 CB 1.539 48 residues pruned to eliminate duplicates Z: 52 36.705 2.135 0.768 0.547 0.863 0.588 CB 1.508 52 residues pruned to eliminate duplicates Z: 39 31.375 2.127 0.635 0.518 0.921 0.711 CB 1.560 39 residues pruned to eliminate duplicates Z: 50 37.135 2.158 0.887 0.544 0.837 0.551 CB 1.491 50 residues pruned to eliminate duplicates Z: 109 49.133 2.057 0.671 0.587 0.917 0.620 CB 1.380 109 residues pruned to eliminate duplicates Z: 74 47.272 2.150 0.847 0.523 0.904 0.644 CB 1.506 74 residues pruned to eliminate duplicates Z: 34 21.270 2.039 0.593 0.436 0.848 0.485 CB 1.436 34 residues pruned to eliminate duplicates Z: 33 21.419 2.077 0.516 0.440 0.875 0.469 CB 1.462 33 residues pruned to eliminate duplicates Z: 59 43.926 2.188 0.769 0.535 0.914 0.690 CB 1.576 59 residues pruned to eliminate duplicates Z: 64 38.201 2.143 0.751 0.476 0.841 0.524 CB 1.562 64 residues pruned to eliminate duplicates Z: 65 40.511 2.169 0.738 0.485 0.891 0.562 CB 1.531 65 residues pruned to eliminate duplicates Z: 60 42.955 2.163 0.802 0.554 0.898 0.610 CB 1.515 60 residues pruned to eliminate duplicates Z: 32 25.821 2.152 0.528 0.489 0.935 0.613 CB 1.524 32 residues pruned to eliminate duplicates Z: 48 39.982 2.164 0.836 0.545 0.936 0.574 CB 1.500 48 residues pruned to eliminate duplicates Z: 46 35.942 2.105 0.849 0.522 0.933 0.644 CB 1.443 46 residues pruned to eliminate duplicates Z: 46 30.331 1.994 0.654 0.483 0.933 0.533 CB 1.495 46 residues pruned to eliminate duplicates Z: 11 10.808 1.760 0.941 0.586 0.800 0.700 CB 1.152 11 residues pruned to eliminate duplicates Z: 32 25.426 2.066 0.586 0.491 0.903 0.548 CB 1.557 32 residues pruned to eliminate duplicates Z: 50 35.650 2.068 0.808 0.506 0.918 0.612 CB 1.474 50 residues pruned to eliminate duplicates Z: 106 51.577 2.066 0.722 0.573 0.914 0.657 CB 1.442 106 residues pruned to eliminate duplicates Z: 100 58.199 2.082 0.827 0.579 0.949 0.576 CB 1.500 100 residues pruned to eliminate duplicates Z: 44 30.253 2.008 0.679 0.591 0.837 0.581 CB 1.498 44 residues pruned to eliminate duplicates Z: 146 59.996 2.114 0.726 0.551 0.910 0.593 CB 1.427 158 residues pruned to eliminate duplicates Z: 78 45.068 2.024 0.618 0.647 0.922 0.662 CB 1.484 78 residues pruned to eliminate duplicates Z: 74 48.395 2.104 0.825 0.634 0.904 0.658 CB 1.439 74 residues pruned to eliminate duplicates Z: 49 41.483 2.089 0.715 0.626 0.958 0.500 CB 1.549 49 residues pruned to eliminate duplicates Z: 53 43.177 2.094 0.729 0.624 0.942 0.731 CB 1.560 53 residues pruned to eliminate duplicates Z: 36 38.574 2.148 0.972 0.610 0.914 0.543 CB 1.517 36 residues pruned to eliminate duplicates Z: 53 45.574 2.110 0.775 0.582 1.000 0.577 CB 1.559 53 residues pruned to eliminate duplicates Z: 92 46.124 2.069 0.678 0.563 0.923 0.560 CB 1.420 92 residues pruned to eliminate duplicates Z: 48 38.612 2.014 0.740 0.633 0.936 0.660 CA 1.515 48 residues pruned to eliminate duplicates Z: 90 49.587 2.109 0.712 0.584 0.910 0.618 CB 1.477 90 residues pruned to eliminate duplicates Z: 34 34.276 2.134 0.902 0.582 0.879 0.455 CB 1.546 34 residues pruned to eliminate duplicates Z: 101 50.596 2.116 0.781 0.538 0.890 0.580 CB 1.452 101 residues pruned to eliminate duplicates Z: 57 36.702 2.039 0.622 0.568 0.911 0.482 CB 1.525 57 residues pruned to eliminate duplicates Z: 34 35.167 2.112 0.883 0.629 0.909 0.515 CA 1.500 34 residues pruned to eliminate duplicates Z: 89 45.796 2.071 0.710 0.581 0.898 0.580 CB 1.420 89 residues pruned to eliminate duplicates Z: 53 36.992 2.005 0.673 0.608 0.942 0.615 CA 1.465 53 residues pruned to eliminate duplicates Z: 86 52.144 2.124 0.751 0.618 0.929 0.600 CB 1.463 86 residues pruned to eliminate duplicates Z: 103 49.094 2.099 0.688 0.548 0.922 0.529 CB 1.420 103 residues pruned to eliminate duplicates Z: 88 49.918 2.107 0.716 0.595 0.954 0.609 CB 1.418 88 residues pruned to eliminate duplicates Z: 57 36.650 2.081 0.582 0.591 0.911 0.643 CB 1.497 57 residues pruned to eliminate duplicates Z: 45 32.280 2.026 0.708 0.592 0.932 0.705 CB 1.383 45 residues pruned to eliminate duplicates Z: 54 44.478 2.078 0.803 0.635 0.962 0.660 CB 1.493 54 residues pruned to eliminate duplicates Z: 117 60.137 2.118 0.737 0.594 0.940 0.647 CB 1.476 117 residues pruned to eliminate duplicates Z: 53 44.837 2.108 0.818 0.637 0.923 0.615 CB 1.546 53 residues pruned to eliminate duplicates Z: 49 39.879 2.079 0.702 0.613 0.979 0.583 CA 1.492 49 residues pruned to eliminate duplicates Z: 73 46.496 2.076 0.703 0.635 0.931 0.694 CB 1.468 73 residues pruned to eliminate duplicates Z: 53 44.195 2.104 0.741 0.637 0.962 0.673 CB 1.530 53 residues pruned to eliminate duplicates Z: 89 45.190 2.105 0.630 0.603 0.898 0.648 CB 1.418 89 residues pruned to eliminate duplicates Z: 55 43.009 2.102 0.702 0.628 0.981 0.667 CB 1.477 55 residues pruned to eliminate duplicates Z: 90 48.168 2.063 0.648 0.602 0.933 0.629 CB 1.462 90 residues pruned to eliminate duplicates Z: 54 46.818 2.108 0.758 0.661 0.943 0.717 CA 1.585 54 residues pruned to eliminate duplicates Z: 149 64.293 2.133 0.734 0.573 0.919 0.655 CB 1.450 149 residues pruned to eliminate duplicates Z: 88 48.113 2.108 0.680 0.593 0.931 0.621 CB 1.430 88 residues pruned to eliminate duplicates Z: 76 47.227 2.110 0.694 0.620 0.947 0.667 CB 1.439 76 residues pruned to eliminate duplicates Z: 74 51.692 2.135 0.725 0.656 0.959 0.671 CB 1.481 74 residues pruned to eliminate duplicates Z: 53 43.992 2.093 0.733 0.617 0.981 0.596 CB 1.536 53 residues pruned to eliminate duplicates Z: 54 40.782 2.099 0.641 0.607 0.981 0.642 CB 1.498 54 residues pruned to eliminate duplicates Z: 53 44.358 2.109 0.733 0.621 0.962 0.654 CB 1.562 53 residues pruned to eliminate duplicates Z: 54 34.966 2.103 0.568 0.573 0.962 0.660 CB 1.410 54 residues pruned to eliminate duplicates Z: 20 20.854 2.033 0.425 0.601 0.947 0.684 CA 1.584 20 residues pruned to eliminate duplicates Z: 81 44.805 2.094 0.679 0.599 0.900 0.650 CB 1.441 81 residues pruned to eliminate duplicates Z: 55 44.245 2.104 0.766 0.609 0.963 0.556 CB 1.518 55 residues pruned to eliminate duplicates Z: 54 44.880 2.124 0.700 0.655 0.962 0.679 CB 1.536 54 residues pruned to eliminate duplicates Z: 39 32.608 2.134 0.800 0.556 0.842 0.658 CB 1.549 39 residues pruned to eliminate duplicates Z: 74 48.763 2.097 0.732 0.649 0.932 0.685 CB 1.469 74 residues pruned to eliminate duplicates Z: 147 62.069 2.126 0.718 0.563 0.904 0.603 CB 1.464 147 residues pruned to eliminate duplicates Z: 49 28.607 2.083 0.546 0.530 0.896 0.604 CB 1.390 49 residues pruned to eliminate duplicates Z: 39 35.055 2.123 0.702 0.625 0.947 0.711 CB 1.476 39 residues pruned to eliminate duplicates Z: 112 56.910 2.115 0.754 0.570 0.928 0.613 CB 1.466 112 residues pruned to eliminate duplicates Z: 90 51.027 2.115 0.724 0.590 0.933 0.596 CB 1.459 90 residues pruned to eliminate duplicates Z: 73 49.642 2.101 0.789 0.613 0.944 0.639 CB 1.481 73 residues pruned to eliminate duplicates Z: 75 53.561 2.093 0.775 0.660 0.973 0.689 CB 1.485 75 residues pruned to eliminate duplicates Z: 36 24.261 2.048 0.651 0.596 0.886 0.714 CB 1.249 36 residues pruned to eliminate duplicates Z: 21 24.689 2.071 0.627 0.749 0.950 0.650 CB 1.382 21 residues pruned to eliminate duplicates Z: 89 47.008 2.099 0.662 0.584 0.932 0.625 CB 1.422 89 residues pruned to eliminate duplicates Z: 36 28.027 2.066 0.639 0.569 0.943 0.600 CB 1.388 36 residues pruned to eliminate duplicates Z: 22 24.625 2.050 0.724 0.705 0.952 0.714 CB 1.325 22 residues pruned to eliminate duplicates Z: 38 23.696 2.035 0.602 0.551 0.892 0.595 CB 1.274 38 residues pruned to eliminate duplicates Z: 40 23.761 2.058 0.626 0.493 0.897 0.564 CB 1.275 40 residues pruned to eliminate duplicates Z: 28 27.496 2.108 0.655 0.599 0.963 0.667 CB 1.434 28 residues pruned to eliminate duplicates Z: 23 26.158 2.004 0.764 0.666 1.000 0.591 CB 1.352 23 residues pruned to eliminate duplicates Z: 77 39.444 2.106 0.619 0.544 0.921 0.500 CB 1.381 77 residues pruned to eliminate duplicates Z: 24 26.214 2.042 0.630 0.761 1.000 0.565 CB 1.302 24 residues pruned to eliminate duplicates Z: 122 50.737 2.150 0.641 0.515 0.901 0.545 CB 1.431 122 residues pruned to eliminate duplicates Z: 37 29.943 2.085 0.671 0.695 0.861 0.639 CB 1.392 37 residues pruned to eliminate duplicates Z: 36 25.640 2.081 0.590 0.581 0.914 0.629 CB 1.326 36 residues pruned to eliminate duplicates Z: 88 47.197 2.121 0.626 0.581 0.920 0.598 CB 1.476 88 residues pruned to eliminate duplicates Z: 21 26.825 2.073 0.759 0.724 0.950 0.700 CB 1.415 21 residues pruned to eliminate duplicates Z: 36 24.521 2.049 0.606 0.542 0.943 0.600 CB 1.281 36 residues pruned to eliminate duplicates Z: 42 28.464 2.109 0.573 0.592 0.927 0.756 CB 1.324 42 residues pruned to eliminate duplicates Z: 38 29.085 2.060 0.696 0.622 0.973 0.622 CB 1.254 38 residues pruned to eliminate duplicates Z: 29 31.444 2.106 0.790 0.674 0.929 0.679 CB 1.446 29 residues pruned to eliminate duplicates Z: 36 24.624 2.044 0.464 0.594 0.971 0.686 CB 1.308 36 residues pruned to eliminate duplicates Z: 88 48.088 2.106 0.663 0.590 0.920 0.632 CB 1.469 88 residues pruned to eliminate duplicates Z: 85 43.703 2.059 0.681 0.592 0.893 0.619 CB 1.414 85 residues pruned to eliminate duplicates Z: 51 32.046 2.081 0.520 0.621 0.920 0.620 CB 1.390 51 residues pruned to eliminate duplicates Z: 16 8.213 2.008 0.152 0.371 0.800 0.467 CB 1.316 16 residues pruned to eliminate duplicates Z: 112 44.425 2.110 0.661 0.521 0.847 0.559 CB 1.391 112 residues pruned to eliminate duplicates Z: 53 31.889 2.093 0.573 0.584 0.923 0.615 CB 1.343 53 residues pruned to eliminate duplicates Z: 9 7.673 1.878 0.477 0.263 0.875 0.250 CB 1.465 9 residues pruned to eliminate duplicates Z: 20 12.487 1.988 0.658 0.394 0.895 0.474 CB 1.087 20 residues pruned to eliminate duplicates Z: 37 27.142 2.055 0.622 0.582 0.944 0.583 CB 1.328 37 residues pruned to eliminate duplicates Z: 11 5.820 1.938 0.334 0.297 0.800 0.200 CB 1.117 11 residues pruned to eliminate duplicates Z: 14 12.485 2.074 0.570 0.444 0.846 0.462 CB 1.331 14 residues pruned to eliminate duplicates Z: 51 26.700 2.056 0.681 0.464 0.880 0.540 CB 1.287 51 residues pruned to eliminate duplicates Z: 30 13.713 1.996 0.472 0.362 0.828 0.483 CB 1.215 30 residues pruned to eliminate duplicates Z: 7 7.457 1.881 0.240 0.412 1.000 0.833 CB 1.430 7 residues pruned to eliminate duplicates Z: 27 13.895 1.958 0.665 0.321 0.769 0.423 CB 1.323 27 residues pruned to eliminate duplicates Z: 13 12.451 2.112 0.664 0.374 0.833 0.417 CB 1.405 13 residues pruned to eliminate duplicates Z: 25 17.025 2.149 0.672 0.417 0.833 0.417 CB 1.266 25 residues pruned to eliminate duplicates Z: 15 9.939 2.150 0.485 0.266 0.857 0.571 CB 1.268 15 residues pruned to eliminate duplicates Z: 98 50.802 2.124 0.761 0.552 0.918 0.577 CB 1.428 98 residues pruned to eliminate duplicates Z: 60 43.225 2.188 0.902 0.554 0.881 0.542 CB 1.456 60 residues pruned to eliminate duplicates Z: 73 43.162 2.156 0.759 0.515 0.889 0.528 CB 1.487 73 residues pruned to eliminate duplicates Z: 26 19.537 2.111 0.880 0.430 0.880 0.520 CB 1.204 26 residues pruned to eliminate duplicates Z: 6 4.105 1.666 0.622 0.459 0.600 0.600 CB 1.181 6 residues pruned to eliminate duplicates Z: 78 48.664 2.216 0.748 0.516 0.922 0.558 CB 1.528 78 residues pruned to eliminate duplicates Z: 70 44.123 2.139 0.695 0.560 0.913 0.638 CB 1.514 70 residues pruned to eliminate duplicates Z: 23 19.036 1.968 0.357 0.692 0.955 0.545 CB 1.336 23 residues pruned to eliminate duplicates Z: 35 22.270 2.104 0.548 0.538 0.853 0.529 CB 1.325 35 residues pruned to eliminate duplicates Z: 16 16.008 2.068 0.521 0.669 0.867 0.533 CB 1.298 16 residues pruned to eliminate duplicates Z: 18 21.781 2.120 0.561 0.683 0.882 0.706 CA 1.529 18 residues pruned to eliminate duplicates Z: 19 19.552 2.080 0.569 0.685 0.833 0.556 CB 1.431 19 residues pruned to eliminate duplicates Z: 71 47.322 2.091 0.740 0.616 0.929 0.571 CB 1.501 71 residues pruned to eliminate duplicates Z: 20 20.461 2.060 0.537 0.632 0.947 0.684 CB 1.382 20 residues pruned to eliminate duplicates Z: 41 48.927 2.252 0.873 0.699 0.975 0.675 CB 1.569 41 residues pruned to eliminate duplicates Z: 53 36.730 2.156 0.794 0.545 0.846 0.577 CB 1.489 53 residues pruned to eliminate duplicates Z: 53 33.843 2.069 0.817 0.560 0.885 0.654 CB 1.332 53 residues pruned to eliminate duplicates Z: 20 24.405 2.070 0.611 0.676 0.947 0.684 CB 1.507 20 residues pruned to eliminate duplicates Z: 66 47.553 2.201 0.752 0.559 0.938 0.631 CB 1.540 66 residues pruned to eliminate duplicates Z: 65 48.380 2.199 0.815 0.573 0.906 0.578 CB 1.559 65 residues pruned to eliminate duplicates Z: 111 52.410 2.167 0.696 0.527 0.918 0.555 CB 1.441 111 residues pruned to eliminate duplicates Z: 41 46.277 2.238 0.961 0.670 0.925 0.625 CB 1.541 41 residues pruned to eliminate duplicates Z: 64 52.192 2.221 0.883 0.552 0.937 0.571 CB 1.597 64 residues pruned to eliminate duplicates Z: 27 28.219 2.050 0.824 0.655 0.923 0.577 CB 1.388 27 residues pruned to eliminate duplicates Z: 88 50.734 2.202 0.770 0.519 0.920 0.540 CB 1.489 88 residues pruned to eliminate duplicates Z: 66 49.688 2.203 0.885 0.561 0.908 0.585 CB 1.541 66 residues pruned to eliminate duplicates Z: 65 47.757 2.215 0.773 0.561 0.922 0.500 CB 1.554 65 residues pruned to eliminate duplicates Z: 66 41.245 2.138 0.817 0.485 0.877 0.554 CB 1.524 66 residues pruned to eliminate duplicates Z: 56 44.051 2.193 0.988 0.581 0.909 0.564 CB 1.387 56 residues pruned to eliminate duplicates Z: 47 43.598 2.229 0.950 0.505 0.913 0.565 CB 1.612 47 residues pruned to eliminate duplicates Z: 23 35.002 2.339 1.064 0.631 0.864 0.727 CB 1.583 23 residues pruned to eliminate duplicates Z: 23 35.629 2.256 1.094 0.616 0.955 0.682 CB 1.509 23 residues pruned to eliminate duplicates Z: 56 44.299 2.216 0.951 0.579 0.873 0.618 CB 1.466 56 residues pruned to eliminate duplicates Z: 24 34.118 2.315 1.074 0.594 0.870 0.522 CB 1.558 24 residues pruned to eliminate duplicates Z: 65 50.989 2.192 0.833 0.568 0.938 0.547 CB 1.585 65 residues pruned to eliminate duplicates Z: 42 46.286 2.225 0.955 0.683 0.927 0.659 CB 1.515 42 residues pruned to eliminate duplicates Z: 45 36.808 2.255 0.782 0.510 0.864 0.500 CB 1.582 45 residues pruned to eliminate duplicates Z: 22 36.981 2.350 1.024 0.679 0.905 0.714 CB 1.590 22 residues pruned to eliminate duplicates Z: 61 41.969 2.135 0.870 0.544 0.883 0.600 CB 1.471 61 residues pruned to eliminate duplicates Z: 61 43.192 2.242 0.958 0.551 0.833 0.567 CB 1.449 61 residues pruned to eliminate duplicates Z: 22 38.412 2.353 1.088 0.663 0.905 0.619 CB 1.621 22 residues pruned to eliminate duplicates Z: 54 41.478 2.191 0.898 0.574 0.887 0.472 CB 1.439 54 residues pruned to eliminate duplicates Z: 23 25.101 2.179 0.995 0.508 0.773 0.455 CB 1.580 23 residues pruned to eliminate duplicates Z: 26 34.470 2.236 0.968 0.628 0.920 0.760 CB 1.509 26 residues pruned to eliminate duplicates Z: 24 33.450 2.303 1.143 0.610 0.870 0.696 CB 1.464 24 residues pruned to eliminate duplicates Z: 67 48.932 2.144 0.864 0.561 0.924 0.485 CB 1.538 67 residues pruned to eliminate duplicates Z: 71 49.056 2.193 0.802 0.556 0.914 0.586 CB 1.537 71 residues pruned to eliminate duplicates Z: 66 50.442 2.197 0.889 0.588 0.892 0.585 CB 1.553 66 residues pruned to eliminate duplicates Z: 45 41.936 2.291 0.809 0.524 0.932 0.591 CB 1.599 45 residues pruned to eliminate duplicates Z: 70 52.082 2.202 0.928 0.573 0.913 0.594 CB 1.508 70 residues pruned to eliminate duplicates Z: 22 23.099 2.248 0.661 0.433 0.905 0.429 CA 1.600 22 residues pruned to eliminate duplicates Z: 23 22.469 2.149 0.600 0.431 0.955 0.409 CA 1.568 23 residues pruned to eliminate duplicates Z: 21 24.968 2.285 0.616 0.410 1.000 0.500 CA 1.661 21 residues pruned to eliminate duplicates Z: 23 19.672 2.166 0.581 0.365 0.909 0.455 CA 1.558 23 residues pruned to eliminate duplicates Z: 22 18.468 2.158 0.436 0.366 0.952 0.476 CA 1.577 22 residues pruned to eliminate duplicates Z: 42 29.611 2.143 0.665 0.496 0.878 0.561 CB 1.482 59 residues pruned to eliminate duplicates Z: 7 8.870 2.210 0.350 0.504 0.833 0.667 CA 1.451 7 residues pruned to eliminate duplicates Z: 24 21.487 2.076 0.690 0.438 0.913 0.522 CB 1.491 24 residues pruned to eliminate duplicates Z: 21 21.339 2.144 0.613 0.442 0.950 0.600 CB 1.542 21 residues pruned to eliminate duplicates Z: 23 17.434 2.064 0.632 0.380 0.864 0.500 CA 1.452 23 residues pruned to eliminate duplicates Z: 45 37.614 2.241 0.806 0.490 0.886 0.523 CB 1.596 45 residues pruned to eliminate duplicates Z: 22 21.882 2.201 0.652 0.409 0.905 0.476 CA 1.597 22 residues pruned to eliminate duplicates Z: 22 19.082 2.219 0.500 0.359 0.905 0.381 CA 1.610 22 residues pruned to eliminate duplicates Z: 22 19.439 2.215 0.475 0.354 0.952 0.476 CA 1.596 22 residues pruned to eliminate duplicates Z: 25 20.804 2.157 0.490 0.405 0.958 0.500 CA 1.524 25 residues pruned to eliminate duplicates Z: 21 17.566 2.234 0.520 0.364 0.800 0.350 CA 1.673 21 residues pruned to eliminate duplicates Z: 18 16.818 2.296 0.362 0.407 0.882 0.471 CA 1.629 18 residues pruned to eliminate duplicates Z: 63 47.554 2.197 0.831 0.585 0.903 0.516 CB 1.532 63 residues pruned to eliminate duplicates Z: 20 23.668 2.127 0.701 0.614 0.895 0.579 CB 1.505 20 residues pruned to eliminate duplicates Z: 63 41.849 2.219 0.776 0.561 0.823 0.581 CB 1.545 63 residues pruned to eliminate duplicates Z: 51 35.019 2.190 0.643 0.487 0.900 0.600 CB 1.549 50 residues pruned to eliminate duplicates Z: 7 4.592 1.666 0.100 0.510 1.000 0.667 CA 1.013 7 residues pruned to eliminate duplicates Z: 30 30.218 2.185 0.740 0.581 0.931 0.621 CB 1.466 30 residues pruned to eliminate duplicates Z: 41 29.790 2.153 0.637 0.487 0.875 0.525 CB 1.548 41 residues pruned to eliminate duplicates Z: 20 19.806 2.161 0.534 0.600 0.842 0.579 CB 1.480 20 residues pruned to eliminate duplicates Z: 53 27.007 2.072 0.508 0.452 0.865 0.596 CB 1.455 53 residues pruned to eliminate duplicates Z: 31 26.661 2.134 0.658 0.536 0.933 0.500 CB 1.423 31 residues pruned to eliminate duplicates Z: 26 17.105 2.009 0.543 0.503 0.840 0.520 CB 1.310 26 residues pruned to eliminate duplicates Z: 20 20.644 2.076 0.737 0.608 0.895 0.526 CB 1.325 20 residues pruned to eliminate duplicates Z: 31 25.782 2.133 0.684 0.559 0.900 0.533 CB 1.375 31 residues pruned to eliminate duplicates Z: 23 21.113 2.085 0.774 0.635 0.864 0.545 CB 1.241 23 residues pruned to eliminate duplicates Z: 41 30.918 2.133 0.690 0.522 0.875 0.475 CB 1.517 41 residues pruned to eliminate duplicates Z: 31 27.762 2.089 0.877 0.560 0.900 0.500 CB 1.355 31 residues pruned to eliminate duplicates Z: 7 4.763 1.654 0.663 0.406 0.833 0.500 CB 0.937 7 residues pruned to eliminate duplicates Z: 27 18.422 1.993 0.759 0.545 0.769 0.500 CB 1.282 27 residues pruned to eliminate duplicates Z: 32 27.357 2.029 0.800 0.538 0.935 0.452 CB 1.386 32 residues pruned to eliminate duplicates Z: 30 28.715 2.132 0.813 0.530 0.931 0.586 CB 1.439 30 residues pruned to eliminate duplicates Z: 31 24.924 2.098 0.727 0.512 0.900 0.533 CB 1.378 31 residues pruned to eliminate duplicates Z: 13 12.380 1.961 0.720 0.458 0.917 0.667 CB 1.206 13 residues pruned to eliminate duplicates Z: 10 21.169 2.218 0.924 0.619 1.000 0.778 CA 1.477 10 residues pruned to eliminate duplicates Z: 7 7.493 1.471 1.389 0.357 1.000 0.667 C 1.015 7 residues pruned to eliminate duplicates Z: 10 19.942 2.274 0.934 0.571 0.889 0.778 CB 1.588 10 residues pruned to eliminate duplicates Z: 6 3.771 1.626 0.436 0.236 0.800 0.200 CA 1.227 6 residues pruned to eliminate duplicates Z: 12 10.969 1.819 0.598 0.505 0.909 0.818 CB 1.245 12 residues pruned to eliminate duplicates Z: 6 4.298 1.378 0.593 0.377 1.000 0.400 C 0.998 6 residues pruned to eliminate duplicates Z: 7 8.238 1.646 0.776 0.614 0.833 0.833 CB 1.239 7 residues pruned to eliminate duplicates Z: 10 12.862 2.063 0.935 0.567 0.778 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 12 9.571 1.800 0.754 0.606 0.818 0.727 CB 1.010 12 residues pruned to eliminate duplicates Z: 7 4.444 1.556 0.331 0.384 0.833 0.667 C 1.189 7 residues pruned to eliminate duplicates Z: 14 11.756 1.914 0.896 0.355 1.000 0.385 CB 1.051 14 residues pruned to eliminate duplicates Z: 21 17.762 2.074 0.798 0.444 0.900 0.700 CB 1.254 21 residues pruned to eliminate duplicates Z: 22 15.971 2.056 0.862 0.315 0.905 0.619 CB 1.236 22 residues pruned to eliminate duplicates Z: 19 13.836 1.994 0.666 0.363 0.889 0.667 CB 1.280 19 residues pruned to eliminate duplicates Z: 24 16.612 2.045 0.676 0.406 0.870 0.609 CB 1.282 24 residues pruned to eliminate duplicates Z: 17 11.300 2.012 0.404 0.324 0.875 0.562 CA 1.388 17 residues pruned to eliminate duplicates Z: 25 15.712 2.040 0.588 0.409 0.875 0.542 CB 1.244 25 residues pruned to eliminate duplicates Z: 25 19.352 2.112 0.726 0.434 0.875 0.708 CB 1.326 25 residues pruned to eliminate duplicates Z: 24 20.556 2.041 0.658 0.451 0.957 0.435 CB 1.393 24 residues pruned to eliminate duplicates Z: 27 19.453 1.999 0.666 0.465 0.923 0.654 CB 1.286 27 residues pruned to eliminate duplicates Z: 26 15.235 1.966 0.745 0.333 0.880 0.600 CB 1.211 26 residues pruned to eliminate duplicates Z: 17 16.992 1.972 0.800 0.464 0.938 0.500 CB 1.324 17 residues pruned to eliminate duplicates Z: 25 16.912 2.006 0.731 0.398 0.833 0.542 CB 1.328 25 residues pruned to eliminate duplicates Z: 16 15.129 1.987 0.519 0.467 0.867 0.600 CA 1.545 16 residues pruned to eliminate duplicates Z: 9 8.214 2.059 0.583 0.491 0.875 0.500 CB 1.027 9 residues pruned to eliminate duplicates Z: 10 6.804 2.010 0.544 0.446 0.889 0.444 CB 0.869 10 residues pruned to eliminate duplicates Z: 7 4.282 1.444 1.002 0.372 0.667 0.667 CB 1.041 7 residues pruned to eliminate duplicates Z: 11 14.801 2.021 0.690 0.451 0.900 0.600 CA 1.600 11 residues pruned to eliminate duplicates Z: 17 19.351 2.099 0.887 0.332 0.938 0.438 CA 1.565 17 residues pruned to eliminate duplicates Z: 14 20.742 2.109 1.055 0.383 0.923 0.538 CA 1.630 14 residues pruned to eliminate duplicates Z: 24 23.030 2.061 0.940 0.426 0.826 0.435 CB 1.569 24 residues pruned to eliminate duplicates Z: 22 23.874 2.156 0.944 0.420 0.857 0.381 CB 1.575 22 residues pruned to eliminate duplicates Z: 13 15.977 2.063 0.610 0.394 0.917 0.667 CB 1.695 13 residues pruned to eliminate duplicates Z: 23 21.493 2.082 0.827 0.389 0.909 0.364 CB 1.489 23 residues pruned to eliminate duplicates Z: 15 14.809 1.913 0.692 0.387 0.929 0.571 CA 1.484 15 residues pruned to eliminate duplicates Z: 14 19.780 2.210 0.720 0.332 1.000 0.538 CB 1.734 14 residues pruned to eliminate duplicates Z: 23 22.660 2.114 0.888 0.403 0.864 0.500 CB 1.552 23 residues pruned to eliminate duplicates Z: 16 18.786 2.209 0.743 0.399 0.867 0.600 CB 1.618 16 residues pruned to eliminate duplicates Z: 15 17.703 2.259 0.691 0.334 0.857 0.571 CA 1.732 15 residues pruned to eliminate duplicates Z: 23 22.775 2.113 0.736 0.438 0.909 0.500 CB 1.552 23 residues pruned to eliminate duplicates Z: 13 13.272 2.052 1.042 0.431 0.833 0.250 CB 1.178 13 residues pruned to eliminate duplicates Z: 24 24.083 2.074 0.813 0.418 0.957 0.478 CA 1.521 24 residues pruned to eliminate duplicates Z: 23 20.056 2.074 0.807 0.359 0.864 0.455 CB 1.538 23 residues pruned to eliminate duplicates Z: 11 14.291 2.165 0.729 0.510 0.900 0.300 CB 1.329 12 residues pruned to eliminate duplicates Z: 7 9.448 1.783 0.775 0.495 1.000 0.167 CA 1.224 7 residues pruned to eliminate duplicates Z: 24 20.947 1.970 0.785 0.359 1.000 0.565 CB 1.447 24 residues pruned to eliminate duplicates Z: 11 13.018 2.017 0.815 0.394 0.900 0.400 CB 1.399 11 residues pruned to eliminate duplicates Z: 15 13.419 1.866 1.033 0.386 0.857 0.429 CB 1.245 15 residues pruned to eliminate duplicates 344 residues left after pruning, divided into chains as follows: A: 6 B: 277 C: 39 D: 22 CC for partial structure against native data = 40.83 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.344, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.394, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.467, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.471, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.480, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.485, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.490, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.494, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.498, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.501, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2592 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 500 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 22.531 2.169 0.714 0.794 1.000 0.556 CB 1.561 B: 12 23.039 2.170 0.665 0.833 1.000 0.818 CB 1.443 10 residues pruned to eliminate duplicates C: 8 28.316 2.376 0.860 0.918 1.000 0.857 CB 1.709 D: 11 24.540 2.296 0.431 0.927 1.000 0.900 CA 1.655 11 residues pruned to eliminate duplicates E: 15 34.789 2.143 1.213 0.829 0.929 0.571 CB 1.589 F: 8 14.770 2.032 1.017 0.554 1.000 0.714 CA 1.292 G: 33 36.273 2.133 0.911 0.663 0.906 0.469 CA 1.493 H: 7 26.112 2.394 0.718 0.891 1.000 1.000 CB 1.862 7 residues pruned to eliminate duplicates I: 13 22.697 2.201 0.603 0.867 0.917 0.750 CB 1.482 8 residues pruned to eliminate duplicates J: 16 22.369 1.993 0.398 0.842 1.000 0.733 CA 1.545 K: 62 37.531 2.017 0.669 0.598 0.918 0.656 CB 1.416 33 residues pruned to eliminate duplicates L: 22 23.646 2.010 0.754 0.688 0.810 0.619 CB 1.522 15 residues pruned to eliminate duplicates M: 10 14.854 2.082 0.264 0.832 0.889 0.778 CB 1.590 N: 11 21.058 2.187 0.360 0.901 1.000 0.900 CA 1.598 11 residues pruned to eliminate duplicates O: 26 19.734 2.091 0.531 0.466 0.920 0.560 CB 1.387 P: 57 40.163 2.047 0.748 0.598 0.946 0.625 CB 1.444 62 residues pruned to eliminate duplicates Q: 14 32.919 2.113 1.094 0.898 1.000 0.769 CB 1.477 14 residues pruned to eliminate duplicates R: 12 20.692 2.120 0.543 0.809 1.000 0.545 CB 1.457 12 residues pruned to eliminate duplicates S: 15 28.597 2.109 0.950 0.907 0.929 0.786 CB 1.423 15 residues pruned to eliminate duplicates T: 11 29.005 2.340 0.619 0.928 1.000 1.000 CA 1.695 13 residues pruned to eliminate duplicates U: 30 35.248 2.199 0.837 0.666 0.897 0.621 CB 1.550 11 residues pruned to eliminate duplicates V: 90 47.895 2.097 0.735 0.591 0.910 0.663 CB 1.405 58 residues pruned to eliminate duplicates W: 56 43.442 2.194 0.771 0.582 0.909 0.655 CB 1.532 42 residues pruned to eliminate duplicates X: 28 25.805 1.962 1.048 0.533 0.889 0.444 CB 1.346 Y: 14 34.247 2.105 1.151 0.885 1.000 0.846 CB 1.515 14 residues pruned to eliminate duplicates Z: 14 35.402 2.239 1.103 0.877 0.923 0.846 CB 1.640 15 residues pruned to eliminate duplicates Z: 16 28.126 2.052 1.087 0.900 0.933 0.800 CB 1.298 14 residues pruned to eliminate duplicates Z: 13 16.787 2.005 0.863 0.478 1.000 0.500 CB 1.326 13 residues pruned to eliminate duplicates Z: 46 28.789 2.118 0.659 0.486 0.933 0.533 CB 1.327 39 residues pruned to eliminate duplicates Z: 11 18.011 1.958 0.511 0.855 1.000 0.600 CB 1.420 10 residues pruned to eliminate duplicates Z: 27 19.871 2.079 0.820 0.432 0.885 0.615 CB 1.250 26 residues pruned to eliminate duplicates Z: 15 30.528 2.072 1.051 0.880 1.000 0.643 CB 1.390 15 residues pruned to eliminate duplicates Z: 25 20.859 2.145 0.769 0.424 0.917 0.500 CB 1.325 25 residues pruned to eliminate duplicates Z: 11 22.330 2.243 0.399 0.792 1.000 0.600 CB 1.742 11 residues pruned to eliminate duplicates Z: 17 24.167 1.955 0.602 0.788 1.000 0.562 CA 1.498 17 residues pruned to eliminate duplicates Z: 24 32.652 2.204 0.534 0.838 0.957 0.739 CB 1.574 24 residues pruned to eliminate duplicates Z: 111 58.427 2.130 0.747 0.571 0.909 0.518 CB 1.537 136 residues pruned to eliminate duplicates Z: 11 24.380 2.215 0.579 0.868 1.000 0.900 CB 1.612 11 residues pruned to eliminate duplicates Z: 7 6.993 1.865 0.204 0.626 0.833 0.500 CA 1.354 7 residues pruned to eliminate duplicates Z: 13 26.157 2.164 0.531 0.909 1.000 0.833 CB 1.617 13 residues pruned to eliminate duplicates Z: 11 14.080 1.944 0.381 0.734 0.900 0.800 CA 1.493 11 residues pruned to eliminate duplicates Z: 16 30.498 2.037 0.998 0.834 0.933 0.800 CB 1.555 16 residues pruned to eliminate duplicates Z: 46 38.187 2.248 0.829 0.489 0.889 0.467 CB 1.574 45 residues pruned to eliminate duplicates Z: 17 21.630 2.044 0.669 0.835 0.938 0.750 CA 1.267 17 residues pruned to eliminate duplicates Z: 67 39.434 2.045 0.727 0.570 0.894 0.530 CB 1.437 51 residues pruned to eliminate duplicates Z: 11 14.860 1.901 0.475 0.797 1.000 0.700 CB 1.292 11 residues pruned to eliminate duplicates Z: 79 44.461 2.084 0.685 0.594 0.910 0.628 CB 1.439 79 residues pruned to eliminate duplicates Z: 12 14.553 1.922 0.602 0.789 0.818 0.636 CA 1.352 Z: 43 43.578 2.182 1.053 0.662 0.881 0.571 CB 1.466 43 residues pruned to eliminate duplicates Z: 16 23.084 1.966 0.652 0.844 1.000 0.733 CA 1.366 16 residues pruned to eliminate duplicates Z: 45 33.290 2.042 0.755 0.599 0.932 0.568 CB 1.368 45 residues pruned to eliminate duplicates Z: 7 7.679 2.010 0.220 0.762 0.833 0.500 CA 1.216 7 residues pruned to eliminate duplicates Z: 12 22.685 2.161 0.550 0.790 1.000 1.000 CB 1.583 12 residues pruned to eliminate duplicates Z: 6 8.529 1.859 0.574 0.851 0.800 0.600 CB 1.206 6 residues pruned to eliminate duplicates Z: 11 19.622 2.195 0.326 0.902 1.000 0.900 CA 1.520 11 residues pruned to eliminate duplicates Z: 21 19.854 2.201 0.701 0.430 0.850 0.550 CA 1.500 21 residues pruned to eliminate duplicates Z: 89 50.353 2.119 0.721 0.587 0.920 0.693 CB 1.471 101 residues pruned to eliminate duplicates Z: 43 38.598 2.038 0.652 0.685 0.976 0.667 CB 1.530 43 residues pruned to eliminate duplicates Z: 9 6.615 1.882 0.519 0.411 0.875 0.625 CB 1.026 9 residues pruned to eliminate duplicates Z: 17 23.670 1.909 0.652 0.795 1.000 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 13 22.633 1.942 0.786 0.859 1.000 0.500 CB 1.387 13 residues pruned to eliminate duplicates Z: 56 43.111 2.044 0.882 0.626 0.873 0.673 CB 1.537 56 residues pruned to eliminate duplicates Z: 10 31.911 2.411 0.827 0.926 1.000 0.778 CB 1.693 10 residues pruned to eliminate duplicates Z: 13 13.721 1.880 0.153 0.876 1.000 0.750 CA 1.328 13 residues pruned to eliminate duplicates Z: 14 26.844 2.170 1.085 0.840 0.846 0.538 CB 1.451 14 residues pruned to eliminate duplicates Z: 9 18.144 2.030 0.360 0.836 1.000 0.750 CB 1.739 10 residues pruned to eliminate duplicates Z: 36 22.627 2.024 0.616 0.491 0.943 0.571 CB 1.251 26 residues pruned to eliminate duplicates Z: 43 33.199 2.182 0.704 0.552 0.857 0.738 CB 1.528 43 residues pruned to eliminate duplicates Z: 56 42.948 2.164 0.761 0.582 0.873 0.564 CB 1.610 56 residues pruned to eliminate duplicates Z: 22 17.602 2.039 0.749 0.436 0.857 0.524 CB 1.342 8 residues pruned to eliminate duplicates Z: 25 33.909 2.130 0.579 0.869 1.000 0.792 CB 1.504 25 residues pruned to eliminate duplicates Z: 9 12.912 1.939 0.657 0.806 0.875 0.875 CB 1.243 Z: 19 20.444 1.821 0.620 0.911 0.944 0.889 CA 1.225 19 residues pruned to eliminate duplicates Z: 25 30.044 2.103 0.586 0.842 0.917 0.750 CB 1.495 25 residues pruned to eliminate duplicates Z: 14 21.257 1.952 0.648 0.883 1.000 0.846 CA 1.325 14 residues pruned to eliminate duplicates Z: 57 44.927 2.034 0.856 0.634 0.946 0.661 CB 1.482 57 residues pruned to eliminate duplicates Z: 19 23.090 1.984 0.661 0.805 0.944 0.667 CA 1.340 19 residues pruned to eliminate duplicates Z: 50 48.454 2.200 0.904 0.616 0.939 0.592 CB 1.577 50 residues pruned to eliminate duplicates Z: 12 15.370 1.947 0.529 0.740 0.909 0.727 CB 1.381 Z: 14 27.148 2.124 1.026 0.836 0.923 0.538 CB 1.419 14 residues pruned to eliminate duplicates Z: 12 22.540 2.107 0.715 0.779 1.000 0.636 CB 1.471 12 residues pruned to eliminate duplicates Z: 19 21.927 2.051 0.825 0.372 0.944 0.444 CA 1.677 14 residues pruned to eliminate duplicates Z: 33 23.218 1.938 0.814 0.501 0.938 0.531 CB 1.244 35 residues pruned to eliminate duplicates Z: 20 23.570 1.984 0.712 0.814 0.895 0.684 CA 1.354 20 residues pruned to eliminate duplicates Z: 12 15.816 2.098 0.643 0.436 0.909 0.727 CA 1.625 12 residues pruned to eliminate duplicates Z: 10 8.252 1.802 0.591 0.353 0.778 0.333 CB 1.446 10 residues pruned to eliminate duplicates Z: 12 14.804 2.032 0.605 0.765 0.727 0.727 CB 1.487 12 residues pruned to eliminate duplicates Z: 148 58.147 2.112 0.670 0.568 0.898 0.626 CB 1.418 168 residues pruned to eliminate duplicates Z: 59 40.393 2.128 0.756 0.556 0.897 0.603 CB 1.500 59 residues pruned to eliminate duplicates Z: 10 13.182 2.069 0.042 0.826 1.000 0.889 CB 1.536 10 residues pruned to eliminate duplicates Z: 12 22.181 2.222 0.442 0.867 1.000 0.727 CB 1.527 12 residues pruned to eliminate duplicates Z: 6 10.014 1.857 0.523 0.807 1.000 0.200 CA 1.212 6 residues pruned to eliminate duplicates Z: 9 10.547 1.896 0.394 0.877 0.875 0.875 CB 1.171 9 residues pruned to eliminate duplicates Z: 18 29.138 2.045 1.196 0.662 0.941 0.706 CA 1.439 18 residues pruned to eliminate duplicates Z: 17 20.995 1.908 0.441 0.841 1.000 0.875 CA 1.424 17 residues pruned to eliminate duplicates Z: 12 11.749 2.041 0.335 0.522 1.000 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 23 19.548 2.119 0.695 0.422 0.818 0.545 CB 1.537 22 residues pruned to eliminate duplicates Z: 16 26.137 1.995 0.600 0.871 1.000 0.933 CA 1.542 16 residues pruned to eliminate duplicates Z: 14 14.842 1.807 0.309 0.888 1.000 0.923 CB 1.254 14 residues pruned to eliminate duplicates Z: 17 20.909 1.936 0.478 0.830 1.000 0.875 CB 1.374 17 residues pruned to eliminate duplicates Z: 13 23.841 2.076 0.685 0.897 1.000 0.750 CA 1.408 13 residues pruned to eliminate duplicates Z: 19 23.154 2.005 0.530 0.830 1.000 0.667 CA 1.337 19 residues pruned to eliminate duplicates Z: 9 14.339 1.934 0.644 0.791 1.000 0.750 CB 1.236 Z: 27 27.836 2.046 0.777 0.709 0.885 0.654 CA 1.404 27 residues pruned to eliminate duplicates Z: 24 33.232 2.184 0.706 0.841 0.957 0.783 CB 1.449 24 residues pruned to eliminate duplicates Z: 32 33.354 2.149 0.963 0.611 0.871 0.677 CB 1.468 32 residues pruned to eliminate duplicates Z: 13 15.823 1.896 0.307 0.922 1.000 0.917 CA 1.297 13 residues pruned to eliminate duplicates Z: 15 13.616 2.050 0.322 0.391 1.000 0.643 CB 1.508 15 residues pruned to eliminate duplicates Z: 18 24.472 2.055 1.069 0.592 0.824 0.765 CB 1.552 18 residues pruned to eliminate duplicates Z: 12 18.303 2.044 0.360 0.833 1.000 0.909 CB 1.489 12 residues pruned to eliminate duplicates Z: 8 13.110 1.962 0.546 0.884 1.000 0.857 CB 1.180 8 residues pruned to eliminate duplicates Z: 8 7.886 1.638 0.677 0.606 0.857 0.571 CB 1.145 8 residues pruned to eliminate duplicates Z: 16 9.029 1.873 0.628 0.360 0.733 0.467 CB 1.212 16 residues pruned to eliminate duplicates Z: 17 15.178 1.971 0.482 0.540 0.875 0.562 CB 1.427 17 residues pruned to eliminate duplicates Z: 16 11.550 1.905 0.729 0.367 0.800 0.533 CB 1.306 16 residues pruned to eliminate duplicates Z: 35 23.143 2.067 0.556 0.465 0.941 0.706 CB 1.359 34 residues pruned to eliminate duplicates Z: 45 40.121 2.045 0.823 0.670 0.932 0.614 CB 1.488 45 residues pruned to eliminate duplicates Z: 53 27.664 2.092 0.613 0.473 0.865 0.538 CB 1.349 9 residues pruned to eliminate duplicates Z: 38 29.938 2.148 0.756 0.551 0.838 0.703 CB 1.482 38 residues pruned to eliminate duplicates Z: 16 22.894 1.980 0.557 0.846 0.933 0.667 CA 1.527 16 residues pruned to eliminate duplicates Z: 13 26.187 2.105 0.625 0.882 1.000 0.917 CA 1.599 13 residues pruned to eliminate duplicates Z: 17 23.355 1.918 0.794 0.775 0.938 0.688 CB 1.419 17 residues pruned to eliminate duplicates Z: 8 7.852 1.671 0.478 0.444 1.000 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 26 13.414 2.095 0.351 0.371 0.800 0.440 CB 1.360 79 residues pruned to eliminate duplicates Z: 37 34.188 2.177 0.698 0.541 0.944 0.694 CB 1.568 37 residues pruned to eliminate duplicates Z: 15 6.356 1.689 0.623 0.369 0.786 0.500 CB 0.908 15 residues pruned to eliminate duplicates Z: 19 21.070 2.003 0.511 0.789 0.944 0.778 CA 1.348 19 residues pruned to eliminate duplicates Z: 35 23.754 2.031 0.699 0.476 0.912 0.588 CB 1.327 35 residues pruned to eliminate duplicates Z: 50 39.594 2.059 0.741 0.629 0.898 0.571 CB 1.557 50 residues pruned to eliminate duplicates Z: 54 37.963 2.070 0.628 0.603 0.943 0.604 CB 1.487 54 residues pruned to eliminate duplicates Z: 12 5.465 1.839 0.374 0.318 0.727 0.455 CB 1.096 Z: 14 34.462 2.095 1.197 0.891 1.000 0.769 CB 1.493 14 residues pruned to eliminate duplicates Z: 77 48.129 2.091 0.684 0.636 0.947 0.697 CB 1.456 89 residues pruned to eliminate duplicates Z: 139 55.381 2.075 0.686 0.532 0.906 0.638 CB 1.441 139 residues pruned to eliminate duplicates Z: 22 21.494 2.071 0.815 0.505 0.905 0.476 CB 1.373 22 residues pruned to eliminate duplicates Z: 75 46.819 2.085 0.673 0.628 0.932 0.635 CB 1.483 75 residues pruned to eliminate duplicates Z: 41 29.630 2.030 0.652 0.553 0.925 0.625 CB 1.434 51 residues pruned to eliminate duplicates Z: 47 35.186 2.172 0.797 0.453 0.870 0.478 CB 1.605 47 residues pruned to eliminate duplicates Z: 17 24.080 1.964 0.581 0.880 1.000 0.875 CA 1.405 17 residues pruned to eliminate duplicates Z: 12 17.652 2.024 0.531 0.912 0.909 0.636 CB 1.337 18 residues pruned to eliminate duplicates Z: 44 28.379 2.085 0.635 0.515 0.837 0.558 CB 1.494 44 residues pruned to eliminate duplicates Z: 13 9.527 1.890 0.602 0.502 0.833 0.583 CB 1.087 13 residues pruned to eliminate duplicates Z: 67 38.066 2.114 0.713 0.519 0.848 0.561 CB 1.496 67 residues pruned to eliminate duplicates Z: 34 21.469 1.965 0.704 0.439 0.879 0.576 CB 1.352 31 residues pruned to eliminate duplicates Z: 7 8.732 1.959 0.429 0.686 0.833 0.667 CA 1.288 7 residues pruned to eliminate duplicates Z: 15 29.210 2.099 0.876 0.911 0.929 0.857 CB 1.513 15 residues pruned to eliminate duplicates Z: 21 25.722 1.937 0.725 0.818 0.950 0.600 CA 1.375 21 residues pruned to eliminate duplicates Z: 31 28.457 2.137 0.609 0.579 0.933 0.733 CB 1.501 23 residues pruned to eliminate duplicates Z: 15 18.507 2.227 0.903 0.380 0.786 0.643 CB 1.688 15 residues pruned to eliminate duplicates Z: 10 9.467 2.143 0.483 0.410 0.778 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 10 12.206 1.952 0.436 0.633 0.889 0.889 CA 1.441 10 residues pruned to eliminate duplicates Z: 6 6.040 1.985 0.597 0.728 0.600 0.400 CA 1.157 6 residues pruned to eliminate duplicates Z: 50 31.567 2.075 0.517 0.625 0.918 0.735 CB 1.386 50 residues pruned to eliminate duplicates Z: 63 37.480 2.089 0.765 0.537 0.855 0.645 CB 1.456 63 residues pruned to eliminate duplicates Z: 14 5.317 1.690 0.527 0.283 0.846 0.462 CB 0.862 Z: 15 23.674 2.051 0.601 0.858 0.929 0.714 CB 1.528 15 residues pruned to eliminate duplicates Z: 34 23.806 1.985 0.620 0.520 0.939 0.667 CB 1.345 34 residues pruned to eliminate duplicates Z: 8 7.351 1.836 0.476 0.353 0.857 0.571 CB 1.402 Z: 84 45.004 2.085 0.661 0.601 0.904 0.675 CB 1.433 92 residues pruned to eliminate duplicates Z: 16 20.425 1.858 0.697 0.848 0.867 0.600 CB 1.431 16 residues pruned to eliminate duplicates Z: 46 40.184 2.223 0.831 0.512 0.911 0.600 CB 1.597 46 residues pruned to eliminate duplicates Z: 24 16.744 1.953 0.647 0.384 0.870 0.522 CB 1.412 24 residues pruned to eliminate duplicates Z: 14 14.460 2.021 0.632 0.416 0.846 0.615 CB 1.568 14 residues pruned to eliminate duplicates Z: 11 9.595 1.821 0.171 0.631 0.900 0.700 CA 1.397 11 residues pruned to eliminate duplicates Z: 24 16.813 2.004 0.698 0.394 0.870 0.435 CB 1.326 24 residues pruned to eliminate duplicates Z: 20 24.939 1.949 0.698 0.841 0.947 0.632 CA 1.361 20 residues pruned to eliminate duplicates Z: 9 10.626 1.901 0.522 0.794 0.875 0.750 CB 1.147 Z: 37 21.426 1.998 0.519 0.478 0.889 0.611 CB 1.353 37 residues pruned to eliminate duplicates Z: 18 20.526 1.958 0.580 0.810 0.941 0.588 CA 1.305 18 residues pruned to eliminate duplicates Z: 66 53.535 2.194 0.832 0.581 0.954 0.508 CB 1.603 68 residues pruned to eliminate duplicates Z: 17 9.869 2.200 0.429 0.370 0.688 0.562 CB 1.311 Z: 18 26.688 2.061 0.738 0.840 1.000 0.765 CA 1.348 18 residues pruned to eliminate duplicates Z: 52 35.935 2.087 0.780 0.510 0.882 0.529 CB 1.520 53 residues pruned to eliminate duplicates Z: 7 2.543 1.290 0.314 0.629 0.833 0.667 CB 0.651 Z: 45 44.943 2.245 0.847 0.573 0.955 0.636 CB 1.595 44 residues pruned to eliminate duplicates Z: 21 25.094 1.911 0.613 0.829 1.000 0.800 CA 1.369 21 residues pruned to eliminate duplicates Z: 20 23.478 1.914 0.699 0.825 0.947 0.684 CA 1.319 20 residues pruned to eliminate duplicates Z: 14 34.345 2.159 1.123 0.862 1.000 0.615 CB 1.525 14 residues pruned to eliminate duplicates Z: 93 47.040 2.043 0.698 0.573 0.935 0.576 CB 1.409 133 residues pruned to eliminate duplicates Z: 18 27.458 2.193 0.776 0.719 0.941 0.765 CB 1.490 18 residues pruned to eliminate duplicates Z: 18 22.661 2.044 0.681 0.817 0.882 0.706 CA 1.376 18 residues pruned to eliminate duplicates Z: 71 37.301 2.030 0.587 0.528 0.914 0.571 CB 1.472 71 residues pruned to eliminate duplicates Z: 22 20.352 2.075 0.728 0.458 0.905 0.571 CB 1.428 22 residues pruned to eliminate duplicates Z: 13 12.907 2.121 0.847 0.364 0.833 0.417 CB 1.322 Z: 14 12.437 2.028 0.544 0.411 0.846 0.615 CB 1.430 14 residues pruned to eliminate duplicates Z: 27 16.653 1.908 0.406 0.584 0.846 0.654 CB 1.327 3 residues pruned to eliminate duplicates Z: 55 44.633 2.107 0.849 0.630 0.926 0.648 CB 1.490 55 residues pruned to eliminate duplicates Z: 16 20.445 2.135 0.694 0.505 0.933 0.600 CA 1.557 16 residues pruned to eliminate duplicates Z: 12 23.477 2.190 0.417 0.922 1.000 0.909 CA 1.604 12 residues pruned to eliminate duplicates Z: 10 9.378 1.772 0.554 0.505 0.889 0.778 CB 1.272 10 residues pruned to eliminate duplicates Z: 11 5.435 1.618 0.412 0.329 0.800 0.300 CB 1.134 11 residues pruned to eliminate duplicates Z: 6 6.748 1.729 0.325 0.645 0.800 0.800 CA 1.438 6 residues pruned to eliminate duplicates Z: 74 50.358 2.105 0.780 0.642 0.932 0.671 CB 1.479 118 residues pruned to eliminate duplicates Z: 13 18.755 1.950 0.435 0.876 0.917 0.667 CB 1.534 13 residues pruned to eliminate duplicates Z: 14 14.962 1.975 0.746 0.421 0.846 0.462 CA 1.544 14 residues pruned to eliminate duplicates Z: 18 21.831 1.944 0.710 0.857 0.882 0.588 CA 1.330 18 residues pruned to eliminate duplicates Z: 6 5.493 1.521 0.344 0.485 1.000 0.600 C 1.220 6 residues pruned to eliminate duplicates Z: 83 42.493 2.082 0.622 0.602 0.927 0.683 CB 1.360 83 residues pruned to eliminate duplicates Z: 19 18.950 1.884 0.588 0.837 0.833 0.389 CA 1.340 19 residues pruned to eliminate duplicates Z: 21 22.799 1.890 0.586 0.799 1.000 0.850 CB 1.309 21 residues pruned to eliminate duplicates Z: 8 3.575 1.621 -0.043 0.528 0.714 0.714 CB 1.186 Z: 8 4.966 1.976 -0.046 0.315 0.857 0.571 CB 1.424 8 residues pruned to eliminate duplicates Z: 30 32.481 2.104 0.850 0.634 0.931 0.724 CB 1.468 30 residues pruned to eliminate duplicates Z: 98 41.267 2.021 0.595 0.532 0.928 0.567 CB 1.357 98 residues pruned to eliminate duplicates Z: 43 35.543 2.198 0.849 0.543 0.857 0.643 CB 1.509 43 residues pruned to eliminate duplicates Z: 63 35.922 2.105 0.617 0.531 0.919 0.613 CB 1.414 63 residues pruned to eliminate duplicates Z: 15 26.298 1.965 0.823 0.830 1.000 0.714 CA 1.475 15 residues pruned to eliminate duplicates Z: 13 14.070 1.984 0.145 0.865 0.917 0.833 CA 1.428 13 residues pruned to eliminate duplicates Z: 11 21.959 2.128 0.611 0.838 1.000 0.800 CB 1.514 Z: 41 30.699 2.144 0.491 0.507 0.950 0.625 CA 1.587 41 residues pruned to eliminate duplicates Z: 6 3.382 1.672 0.101 0.575 0.600 0.400 C 1.274 6 residues pruned to eliminate duplicates Z: 8 5.346 1.647 0.437 0.632 1.000 0.714 CB 0.754 8 residues pruned to eliminate duplicates Z: 9 16.579 2.066 0.480 0.649 1.000 0.750 CB 1.668 9 residues pruned to eliminate duplicates Z: 7 8.615 1.907 0.428 0.680 0.833 0.833 CB 1.314 7 residues pruned to eliminate duplicates Z: 12 18.048 2.154 0.356 0.810 0.909 0.818 CB 1.564 12 residues pruned to eliminate duplicates Z: 6 7.552 1.736 0.186 0.759 1.000 0.600 CA 1.302 6 residues pruned to eliminate duplicates Z: 23 21.468 2.085 0.619 0.465 0.955 0.545 CA 1.471 22 residues pruned to eliminate duplicates Z: 41 20.527 1.989 0.559 0.503 0.825 0.450 CB 1.265 16 residues pruned to eliminate duplicates 6 0.813 1.391 0.224 0.279 1.000 0.400 CB 0.274 ? Z: 13 16.806 1.916 0.257 0.930 1.000 1.000 CB 1.408 13 residues pruned to eliminate duplicates Z: 8 14.156 2.140 1.009 0.444 1.000 0.571 CB 1.318 6 residues pruned to eliminate duplicates Z: 46 27.834 2.071 0.644 0.478 0.867 0.622 CB 1.438 38 residues pruned to eliminate duplicates Z: 13 14.146 1.915 0.243 0.728 0.917 0.583 CA 1.524 13 residues pruned to eliminate duplicates Z: 29 28.119 2.010 0.868 0.562 0.893 0.571 CB 1.492 29 residues pruned to eliminate duplicates Z: 10 9.743 1.714 0.794 0.477 0.778 0.778 C 1.391 6 residues pruned to eliminate duplicates Z: 26 16.256 1.948 0.554 0.384 0.920 0.480 CB 1.321 26 residues pruned to eliminate duplicates Z: 45 41.382 2.226 0.843 0.510 0.909 0.523 CB 1.657 45 residues pruned to eliminate duplicates Z: 14 20.352 2.241 0.609 0.557 0.846 0.538 CB 1.750 14 residues pruned to eliminate duplicates Z: 15 13.386 1.934 0.696 0.414 0.786 0.500 CA 1.519 15 residues pruned to eliminate duplicates Z: 10 13.273 2.010 0.669 0.540 0.889 0.778 CA 1.427 10 residues pruned to eliminate duplicates Z: 13 14.048 1.985 0.682 0.391 0.833 0.500 CB 1.636 13 residues pruned to eliminate duplicates Z: 14 26.682 1.954 0.845 0.896 1.000 1.000 CB 1.471 14 residues pruned to eliminate duplicates Z: 23 20.264 2.103 0.591 0.436 0.909 0.455 CA 1.518 24 residues pruned to eliminate duplicates Z: 7 3.657 1.748 0.336 0.315 0.833 0.500 CB 0.941 Z: 31 28.708 2.093 0.640 0.604 0.933 0.600 CB 1.482 31 residues pruned to eliminate duplicates Z: 21 13.937 1.993 0.324 0.415 0.950 0.650 CB 1.359 21 residues pruned to eliminate duplicates Z: 6 3.292 1.402 0.062 0.606 0.800 0.600 N 1.118 6 residues pruned to eliminate duplicates Z: 11 6.306 1.657 0.908 0.524 0.800 0.800 CB 0.770 11 residues pruned to eliminate duplicates Z: 13 16.272 2.036 0.719 0.543 0.917 0.583 CA 1.404 13 residues pruned to eliminate duplicates Z: 16 23.052 2.007 0.547 0.899 1.000 0.800 CA 1.371 16 residues pruned to eliminate duplicates Z: 12 12.314 1.917 0.361 0.644 1.000 0.818 CA 1.244 13 residues pruned to eliminate duplicates Z: 59 27.696 2.025 0.569 0.513 0.879 0.552 CB 1.285 57 residues pruned to eliminate duplicates Z: 39 25.067 1.984 0.598 0.536 0.895 0.632 CB 1.384 39 residues pruned to eliminate duplicates Z: 66 43.222 2.151 0.632 0.551 0.923 0.569 CB 1.575 66 residues pruned to eliminate duplicates Z: 61 39.256 2.032 0.654 0.577 0.933 0.683 CB 1.500 68 residues pruned to eliminate duplicates Z: 29 28.412 2.142 0.777 0.534 0.857 0.714 CB 1.593 77 residues pruned to eliminate duplicates Z: 11 8.662 1.981 0.581 0.464 0.800 0.600 CB 1.134 11 residues pruned to eliminate duplicates Z: 31 25.943 2.100 0.608 0.577 0.900 0.667 CB 1.448 31 residues pruned to eliminate duplicates Z: 7 2.339 1.276 0.411 0.404 1.000 0.667 CA 0.587 Z: 88 49.237 2.078 0.741 0.601 0.920 0.632 CB 1.440 88 residues pruned to eliminate duplicates Z: 17 21.352 1.989 0.762 0.805 0.875 0.562 CA 1.334 17 residues pruned to eliminate duplicates Z: 11 20.662 1.945 0.732 0.881 1.000 0.800 CA 1.404 Z: 19 20.252 1.974 0.830 0.591 0.833 0.667 CA 1.454 19 residues pruned to eliminate duplicates Z: 13 12.673 1.948 0.699 0.465 0.917 0.583 CB 1.250 13 residues pruned to eliminate duplicates Z: 7 8.360 1.905 0.674 0.757 0.833 0.667 CB 1.022 Z: 10 9.344 1.936 0.340 0.500 0.889 0.444 CB 1.351 10 residues pruned to eliminate duplicates Z: 18 24.499 1.983 0.679 0.836 1.000 0.882 CA 1.336 18 residues pruned to eliminate duplicates Z: 14 6.240 1.701 0.395 0.521 0.846 0.692 CB 0.844 12 residues pruned to eliminate duplicates Z: 18 11.785 2.016 0.531 0.338 0.824 0.529 CB 1.343 18 residues pruned to eliminate duplicates Z: 8 7.861 1.781 0.502 0.520 1.000 0.714 CA 1.088 8 residues pruned to eliminate duplicates Z: 39 27.849 2.048 0.633 0.605 0.895 0.737 CB 1.365 18 residues pruned to eliminate duplicates Z: 6 3.701 1.552 0.541 0.299 0.800 0.800 CA 1.082 Z: 10 8.311 1.732 0.516 0.475 0.889 0.889 CB 1.217 7 residues pruned to eliminate duplicates Z: 21 20.500 1.825 0.607 0.814 1.000 0.650 CA 1.189 21 residues pruned to eliminate duplicates Z: 20 15.142 2.014 0.510 0.470 0.789 0.579 CB 1.492 20 residues pruned to eliminate duplicates Z: 77 46.699 2.111 0.613 0.603 0.974 0.697 CB 1.465 119 residues pruned to eliminate duplicates Z: 7 6.635 1.641 0.274 0.507 1.000 0.500 C 1.287 7 residues pruned to eliminate duplicates Z: 8 12.396 1.902 0.369 0.801 1.000 1.000 CB 1.383 Z: 7 2.916 1.511 -0.024 0.786 0.833 0.667 N 0.753 Z: 15 19.931 2.000 0.905 0.567 0.929 0.786 CB 1.411 15 residues pruned to eliminate duplicates Z: 20 21.630 1.994 0.582 0.801 0.895 0.737 CA 1.351 20 residues pruned to eliminate duplicates Z: 21 24.084 1.896 0.754 0.817 0.950 0.800 CA 1.294 21 residues pruned to eliminate duplicates Z: 38 19.957 1.989 0.635 0.468 0.892 0.568 CB 1.168 38 residues pruned to eliminate duplicates Z: 8 7.614 1.825 0.574 0.330 0.857 0.714 CA 1.408 8 residues pruned to eliminate duplicates Z: 33 20.260 2.012 0.557 0.450 0.875 0.500 CB 1.375 33 residues pruned to eliminate duplicates Z: 18 18.647 2.076 0.494 0.702 0.824 0.706 CA 1.473 18 residues pruned to eliminate duplicates Z: 9 5.518 1.833 0.293 0.458 0.750 0.375 CB 1.145 15 residues pruned to eliminate duplicates Z: 10 6.135 1.830 0.116 0.361 0.889 0.444 CA 1.308 10 residues pruned to eliminate duplicates Z: 13 21.070 2.057 0.524 0.796 1.000 0.750 CB 1.497 Z: 12 6.118 1.843 0.553 0.215 0.727 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 37 28.352 2.102 0.716 0.531 0.889 0.556 CB 1.430 44 residues pruned to eliminate duplicates Z: 52 40.249 2.186 0.748 0.587 0.863 0.569 CB 1.573 52 residues pruned to eliminate duplicates Z: 6 8.466 1.671 0.401 0.675 1.000 0.800 CB 1.376 6 residues pruned to eliminate duplicates Z: 12 21.086 2.050 0.555 0.867 1.000 0.909 CA 1.459 12 residues pruned to eliminate duplicates Z: 8 8.653 1.876 0.174 0.662 1.000 0.857 CA 1.279 Z: 9 4.534 1.707 0.099 0.609 0.750 0.250 CB 1.027 9 residues pruned to eliminate duplicates Z: 10 10.649 1.959 1.132 0.513 0.889 0.556 CB 0.944 10 residues pruned to eliminate duplicates Z: 37 24.610 2.060 0.573 0.562 0.917 0.583 CB 1.300 22 residues pruned to eliminate duplicates Z: 18 21.779 2.079 0.784 0.517 0.941 0.647 CB 1.487 18 residues pruned to eliminate duplicates Z: 130 64.533 2.146 0.812 0.588 0.930 0.628 CB 1.444 144 residues pruned to eliminate duplicates Z: 10 16.147 2.016 0.385 0.851 0.889 0.778 CB 1.605 7 residues pruned to eliminate duplicates Z: 13 5.190 1.716 0.495 0.331 0.917 0.500 CB 0.767 Z: 12 15.459 1.892 0.483 0.840 0.909 0.727 CA 1.364 12 residues pruned to eliminate duplicates Z: 41 40.478 2.236 0.814 0.695 0.900 0.750 CB 1.467 41 residues pruned to eliminate duplicates Z: 24 31.855 2.105 0.690 0.843 1.000 0.783 CB 1.390 24 residues pruned to eliminate duplicates Z: 13 18.695 2.139 0.251 0.864 0.917 0.833 CB 1.613 13 residues pruned to eliminate duplicates Z: 26 17.002 1.922 0.497 0.477 0.920 0.600 CB 1.316 26 residues pruned to eliminate duplicates Z: 10 10.603 2.012 0.580 0.758 0.778 0.333 CB 1.137 10 residues pruned to eliminate duplicates Z: 22 27.622 2.197 0.860 0.454 0.952 0.476 CB 1.623 22 residues pruned to eliminate duplicates Z: 8 3.284 1.476 0.329 0.304 0.714 0.286 C 1.102 Z: 12 15.289 2.129 0.662 0.344 1.000 0.545 CA 1.544 12 residues pruned to eliminate duplicates Z: 11 18.585 2.114 0.685 0.637 1.000 0.700 CB 1.451 11 residues pruned to eliminate duplicates Z: 25 33.359 2.096 0.788 0.834 0.958 0.750 CB 1.422 25 residues pruned to eliminate duplicates Z: 19 14.650 1.908 0.571 0.413 1.000 0.778 CB 1.261 19 residues pruned to eliminate duplicates Z: 30 28.590 2.176 0.624 0.599 0.897 0.724 CB 1.524 30 residues pruned to eliminate duplicates Z: 25 17.717 2.088 0.461 0.387 0.875 0.458 CA 1.528 Z: 13 16.768 1.892 0.494 0.848 1.000 0.500 CB 1.270 13 residues pruned to eliminate duplicates Z: 24 30.714 2.151 0.956 0.627 0.913 0.652 CB 1.479 14 residues pruned to eliminate duplicates Z: 14 35.940 2.180 1.173 0.826 0.923 0.615 CA 1.719 14 residues pruned to eliminate duplicates Z: 13 13.976 1.897 0.166 0.867 1.000 0.917 CA 1.334 13 residues pruned to eliminate duplicates Z: 53 37.916 2.054 0.664 0.601 0.942 0.673 CB 1.482 53 residues pruned to eliminate duplicates Z: 15 15.753 2.031 0.373 0.742 0.786 0.500 CA 1.547 15 residues pruned to eliminate duplicates Z: 14 13.311 1.734 0.569 0.729 1.000 0.692 CB 1.104 14 residues pruned to eliminate duplicates Z: 6 2.577 1.339 -0.271 0.528 1.000 0.800 C 1.148 Z: 14 20.166 2.010 0.417 0.845 1.000 0.538 CB 1.459 14 residues pruned to eliminate duplicates Z: 43 38.776 2.018 0.779 0.652 0.976 0.690 CA 1.482 43 residues pruned to eliminate duplicates Z: 9 15.857 1.919 0.348 0.870 1.000 0.625 CB 1.583 9 residues pruned to eliminate duplicates Z: 15 19.858 1.946 0.367 0.884 1.000 0.857 CA 1.442 15 residues pruned to eliminate duplicates Z: 15 11.284 2.002 0.284 0.505 0.857 0.571 CB 1.361 15 residues pruned to eliminate duplicates Z: 9 8.141 1.974 0.366 0.538 0.750 0.625 CA 1.371 9 residues pruned to eliminate duplicates Z: 15 7.476 1.673 0.550 0.424 0.857 0.429 CB 0.973 15 residues pruned to eliminate duplicates Z: 69 41.504 2.145 0.680 0.527 0.882 0.632 CB 1.541 82 residues pruned to eliminate duplicates Z: 8 6.325 1.567 0.483 0.504 0.857 0.429 CA 1.196 Z: 21 15.796 1.839 0.387 0.563 0.900 0.700 CA 1.447 21 residues pruned to eliminate duplicates Z: 13 21.069 2.151 0.728 0.560 1.000 0.500 CA 1.544 13 residues pruned to eliminate duplicates Z: 6 12.969 1.792 1.120 0.721 1.000 0.800 CB 1.251 6 residues pruned to eliminate duplicates Z: 25 33.252 2.044 0.876 0.771 0.958 0.833 CA 1.453 25 residues pruned to eliminate duplicates Z: 9 9.124 1.754 0.903 0.564 0.875 0.500 CB 1.038 9 residues pruned to eliminate duplicates Z: 47 36.324 2.177 0.746 0.543 0.870 0.565 CB 1.553 50 residues pruned to eliminate duplicates Z: 15 42.351 2.031 1.467 0.907 1.000 0.643 CA 1.606 15 residues pruned to eliminate duplicates Z: 164 68.235 2.135 0.741 0.573 0.920 0.552 CB 1.456 164 residues pruned to eliminate duplicates Z: 9 13.197 1.832 0.395 0.895 1.000 0.875 CB 1.309 9 residues pruned to eliminate duplicates Z: 140 59.704 2.097 0.729 0.557 0.906 0.633 CB 1.458 140 residues pruned to eliminate duplicates Z: 68 37.736 2.008 0.814 0.584 0.866 0.627 CB 1.349 68 residues pruned to eliminate duplicates Z: 18 7.658 1.917 0.243 0.213 0.765 0.353 CB 1.429 18 residues pruned to eliminate duplicates 6 1.629 1.146 0.071 0.367 1.000 0.800 CA 0.685 ? Z: 12 16.099 1.905 0.558 0.889 1.000 0.818 CA 1.178 12 residues pruned to eliminate duplicates 6 1.727 1.306 -0.201 0.506 0.800 0.400 C 0.920 ? Z: 10 6.029 1.693 0.763 0.233 0.778 0.444 CA 1.181 10 residues pruned to eliminate duplicates Z: 14 19.994 1.927 0.657 0.736 0.923 0.692 CB 1.522 14 residues pruned to eliminate duplicates Z: 41 33.291 2.153 0.725 0.541 0.900 0.550 CB 1.513 41 residues pruned to eliminate duplicates Z: 21 21.811 2.211 0.809 0.410 0.800 0.400 CB 1.675 29 residues pruned to eliminate duplicates Z: 32 17.170 1.915 0.365 0.500 0.839 0.677 CB 1.407 32 residues pruned to eliminate duplicates Z: 13 7.056 1.802 0.228 0.455 0.833 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 7 9.438 1.732 0.472 0.704 1.000 1.000 CB 1.255 6 residues pruned to eliminate duplicates Z: 9 2.916 1.402 0.287 0.355 0.625 0.375 CA 1.069 Z: 13 18.887 2.028 0.541 0.802 1.000 0.500 CB 1.340 13 residues pruned to eliminate duplicates Z: 6 4.770 1.296 0.695 0.657 1.000 0.800 N 0.840 Using tripeptides from previous cycle as seeds Z: 7 5.442 1.687 0.240 0.537 0.833 0.833 CB 1.230 7 residues pruned to eliminate duplicates Z: 7 6.497 1.677 0.293 0.565 1.000 0.833 CB 1.149 7 residues pruned to eliminate duplicates Z: 20 21.793 2.047 0.870 0.386 0.895 0.474 CB 1.648 21 residues pruned to eliminate duplicates Z: 11 19.239 1.970 0.639 0.836 1.000 0.800 CB 1.411 11 residues pruned to eliminate duplicates Z: 11 12.413 1.858 0.437 0.787 0.900 0.700 CB 1.270 11 residues pruned to eliminate duplicates Z: 19 13.563 1.700 0.648 0.525 0.944 0.500 CB 1.179 19 residues pruned to eliminate duplicates Z: 14 17.308 2.006 0.623 0.567 1.000 0.615 CB 1.382 15 residues pruned to eliminate duplicates Z: 12 17.908 1.862 0.603 0.842 1.000 0.818 CB 1.348 12 residues pruned to eliminate duplicates Z: 10 11.700 1.944 0.230 0.826 0.889 0.667 CB 1.384 10 residues pruned to eliminate duplicates Z: 14 14.121 2.007 0.451 0.573 0.923 0.615 CB 1.358 14 residues pruned to eliminate duplicates Z: 11 15.643 2.053 0.504 0.717 1.000 0.600 CB 1.317 11 residues pruned to eliminate duplicates Z: 16 10.202 1.732 0.480 0.547 0.933 0.533 CB 1.051 16 residues pruned to eliminate duplicates Z: 14 14.918 2.177 0.570 0.290 0.923 0.615 CB 1.660 14 residues pruned to eliminate duplicates Z: 15 8.564 1.896 0.319 0.328 0.857 0.429 CB 1.290 15 residues pruned to eliminate duplicates Z: 15 11.464 1.950 0.491 0.348 0.857 0.500 CB 1.450 15 residues pruned to eliminate duplicates Z: 13 13.341 2.092 0.590 0.366 0.917 0.750 CB 1.459 13 residues pruned to eliminate duplicates Z: 15 14.337 2.146 0.583 0.366 0.857 0.643 CB 1.520 15 residues pruned to eliminate duplicates Z: 29 20.290 1.986 0.481 0.532 0.964 0.429 CB 1.309 31 residues pruned to eliminate duplicates Z: 6 2.434 1.498 0.708 0.100 1.000 0.200 CB 0.709 6 residues pruned to eliminate duplicates Z: 16 10.040 2.117 0.440 0.301 0.733 0.467 CB 1.448 16 residues pruned to eliminate duplicates Z: 27 13.907 2.012 0.261 0.489 0.808 0.423 CB 1.346 27 residues pruned to eliminate duplicates Z: 11 4.865 1.859 0.252 0.208 0.700 0.500 CB 1.335 11 residues pruned to eliminate duplicates Z: 9 6.418 2.123 -0.005 0.265 0.875 0.625 CB 1.604 9 residues pruned to eliminate duplicates Z: 10 8.171 1.964 0.222 0.303 0.889 0.556 C 1.590 10 residues pruned to eliminate duplicates Z: 9 9.073 2.047 0.298 0.252 1.000 0.500 CB 1.605 9 residues pruned to eliminate duplicates Z: 21 24.577 2.272 0.383 0.567 0.950 0.650 CB 1.726 21 residues pruned to eliminate duplicates Z: 73 42.044 2.150 0.651 0.528 0.889 0.583 CB 1.527 73 residues pruned to eliminate duplicates Z: 15 17.990 2.178 0.262 0.700 1.000 0.714 CB 1.457 15 residues pruned to eliminate duplicates Z: 13 22.131 2.217 0.397 0.774 1.000 0.750 CB 1.620 13 residues pruned to eliminate duplicates Z: 35 29.444 2.087 0.834 0.556 0.824 0.618 CB 1.517 35 residues pruned to eliminate duplicates Z: 17 16.585 2.117 0.336 0.611 0.812 0.688 CB 1.625 17 residues pruned to eliminate duplicates Z: 15 22.799 2.187 0.511 0.651 1.000 0.714 CB 1.602 15 residues pruned to eliminate duplicates Z: 61 44.689 2.134 0.763 0.577 0.917 0.617 CB 1.555 61 residues pruned to eliminate duplicates Z: 15 17.485 2.082 0.539 0.599 0.929 0.500 CB 1.429 15 residues pruned to eliminate duplicates Z: 32 37.135 2.159 0.895 0.633 0.903 0.613 CB 1.593 32 residues pruned to eliminate duplicates Z: 56 39.544 2.189 0.728 0.562 0.873 0.673 CB 1.522 56 residues pruned to eliminate duplicates Z: 27 21.822 2.237 0.550 0.519 0.769 0.500 CB 1.575 27 residues pruned to eliminate duplicates Z: 39 32.715 2.168 0.720 0.565 0.842 0.579 CB 1.586 48 residues pruned to eliminate duplicates Z: 34 33.355 2.080 0.922 0.621 0.909 0.576 CB 1.425 34 residues pruned to eliminate duplicates Z: 33 31.402 2.107 0.848 0.596 0.875 0.688 CB 1.487 33 residues pruned to eliminate duplicates Z: 31 34.454 2.146 0.798 0.673 0.900 0.733 CB 1.544 31 residues pruned to eliminate duplicates Z: 30 33.482 2.111 0.918 0.645 0.897 0.586 CB 1.495 30 residues pruned to eliminate duplicates Z: 59 42.761 2.158 0.761 0.575 0.914 0.655 CB 1.504 59 residues pruned to eliminate duplicates Z: 38 32.173 2.184 0.812 0.559 0.838 0.703 CB 1.506 38 residues pruned to eliminate duplicates Z: 37 36.173 2.212 0.860 0.558 0.917 0.722 CB 1.512 37 residues pruned to eliminate duplicates Z: 31 33.315 2.176 0.958 0.620 0.867 0.700 CB 1.471 31 residues pruned to eliminate duplicates Z: 42 35.996 2.213 0.785 0.555 0.878 0.732 CB 1.538 42 residues pruned to eliminate duplicates Z: 66 40.806 2.124 0.716 0.521 0.908 0.600 CB 1.499 66 residues pruned to eliminate duplicates Z: 32 33.550 2.136 0.903 0.613 0.871 0.677 CB 1.528 32 residues pruned to eliminate duplicates Z: 37 32.609 2.211 0.768 0.543 0.861 0.722 CB 1.549 37 residues pruned to eliminate duplicates Z: 31 30.011 2.170 0.910 0.616 0.833 0.700 CB 1.421 31 residues pruned to eliminate duplicates Z: 39 31.455 2.168 0.870 0.517 0.816 0.553 CB 1.517 39 residues pruned to eliminate duplicates Z: 44 41.925 2.151 0.890 0.629 0.907 0.628 CB 1.536 44 residues pruned to eliminate duplicates Z: 22 30.671 2.090 0.964 0.635 0.952 0.714 CB 1.508 22 residues pruned to eliminate duplicates Z: 49 38.983 2.137 0.790 0.538 0.917 0.604 CB 1.545 49 residues pruned to eliminate duplicates Z: 52 38.941 2.200 0.672 0.554 0.922 0.647 CB 1.526 52 residues pruned to eliminate duplicates Z: 68 40.961 2.141 0.771 0.529 0.866 0.627 CB 1.481 68 residues pruned to eliminate duplicates Z: 59 44.997 2.180 0.756 0.578 0.948 0.552 CB 1.510 59 residues pruned to eliminate duplicates Z: 49 38.047 2.103 0.876 0.532 0.938 0.562 CB 1.438 49 residues pruned to eliminate duplicates Z: 74 43.760 2.147 0.746 0.525 0.890 0.630 CB 1.497 74 residues pruned to eliminate duplicates Z: 68 42.182 2.184 0.647 0.516 0.925 0.567 CB 1.524 68 residues pruned to eliminate duplicates Z: 60 38.985 2.131 0.717 0.556 0.915 0.627 CB 1.435 60 residues pruned to eliminate duplicates Z: 59 44.085 2.164 0.751 0.585 0.914 0.621 CB 1.541 59 residues pruned to eliminate duplicates Z: 46 26.250 1.988 0.670 0.458 0.889 0.511 CB 1.384 46 residues pruned to eliminate duplicates Z: 61 39.514 2.086 0.744 0.554 0.900 0.583 CB 1.478 61 residues pruned to eliminate duplicates Z: 31 23.959 2.138 0.584 0.478 0.900 0.467 CB 1.468 31 residues pruned to eliminate duplicates Z: 59 46.323 2.170 0.887 0.553 0.931 0.552 CB 1.515 59 residues pruned to eliminate duplicates Z: 51 35.980 2.189 0.718 0.532 0.880 0.540 CB 1.489 51 residues pruned to eliminate duplicates Z: 60 38.062 2.139 0.701 0.537 0.898 0.627 CB 1.462 60 residues pruned to eliminate duplicates Z: 33 24.380 2.073 0.646 0.452 0.906 0.594 CB 1.465 33 residues pruned to eliminate duplicates Z: 33 23.327 2.051 0.634 0.449 0.906 0.531 CB 1.430 33 residues pruned to eliminate duplicates Z: 35 21.602 1.991 0.541 0.409 0.882 0.500 CB 1.504 35 residues pruned to eliminate duplicates Z: 51 31.568 2.115 0.780 0.483 0.800 0.620 CB 1.509 51 residues pruned to eliminate duplicates Z: 60 41.296 2.152 0.708 0.555 0.932 0.559 CB 1.487 60 residues pruned to eliminate duplicates Z: 39 27.901 2.079 0.716 0.486 0.868 0.605 CB 1.482 39 residues pruned to eliminate duplicates Z: 39 30.514 2.078 0.760 0.520 0.895 0.605 CB 1.483 39 residues pruned to eliminate duplicates Z: 67 44.597 2.184 0.776 0.515 0.909 0.576 CB 1.534 67 residues pruned to eliminate duplicates Z: 30 22.124 2.062 0.648 0.445 0.897 0.483 CB 1.427 30 residues pruned to eliminate duplicates Z: 76 45.357 2.133 0.757 0.519 0.933 0.640 CB 1.469 76 residues pruned to eliminate duplicates Z: 32 24.345 2.050 0.802 0.441 0.903 0.484 CB 1.391 32 residues pruned to eliminate duplicates Z: 50 32.308 2.124 0.758 0.496 0.857 0.592 CB 1.447 50 residues pruned to eliminate duplicates Z: 8 9.670 1.996 0.428 0.757 1.000 0.714 CB 1.020 8 residues pruned to eliminate duplicates Z: 6 4.643 1.627 0.643 0.367 1.000 0.200 CB 0.896 6 residues pruned to eliminate duplicates Z: 88 46.071 2.026 0.711 0.561 0.920 0.552 CB 1.460 88 residues pruned to eliminate duplicates Z: 133 63.958 2.127 0.729 0.606 0.917 0.674 CB 1.493 133 residues pruned to eliminate duplicates Z: 109 47.008 2.039 0.698 0.535 0.880 0.593 CB 1.435 109 residues pruned to eliminate duplicates Z: 99 52.965 2.090 0.816 0.568 0.878 0.551 CB 1.504 99 residues pruned to eliminate duplicates Z: 53 35.448 2.018 0.760 0.601 0.885 0.577 CB 1.420 53 residues pruned to eliminate duplicates Z: 44 30.168 2.035 0.810 0.564 0.837 0.512 CB 1.402 44 residues pruned to eliminate duplicates Z: 51 36.235 2.035 0.665 0.612 0.900 0.700 CB 1.510 51 residues pruned to eliminate duplicates Z: 57 38.211 2.063 0.610 0.631 0.911 0.661 CB 1.493 57 residues pruned to eliminate duplicates Z: 37 33.998 2.098 0.707 0.611 0.944 0.556 CA 1.507 37 residues pruned to eliminate duplicates Z: 163 64.185 2.128 0.713 0.538 0.901 0.574 CB 1.479 163 residues pruned to eliminate duplicates Z: 34 43.774 2.113 1.042 0.670 1.000 0.667 CB 1.510 34 residues pruned to eliminate duplicates Z: 92 48.158 2.096 0.695 0.558 0.945 0.593 CB 1.421 92 residues pruned to eliminate duplicates Z: 35 36.467 2.123 0.904 0.659 0.912 0.647 CA 1.465 35 residues pruned to eliminate duplicates Z: 36 36.585 2.102 0.988 0.650 0.886 0.657 CB 1.453 36 residues pruned to eliminate duplicates Z: 74 51.858 2.062 0.781 0.647 0.959 0.616 CB 1.502 74 residues pruned to eliminate duplicates Z: 55 41.254 2.037 0.782 0.589 0.944 0.630 CA 1.504 55 residues pruned to eliminate duplicates Z: 65 40.626 2.047 0.705 0.569 0.922 0.594 CB 1.476 65 residues pruned to eliminate duplicates Z: 36 40.581 2.145 0.923 0.657 0.943 0.686 CB 1.525 36 residues pruned to eliminate duplicates Z: 90 47.554 2.102 0.636 0.583 0.933 0.652 CB 1.451 90 residues pruned to eliminate duplicates Z: 57 41.234 2.084 0.736 0.599 0.929 0.643 CB 1.493 57 residues pruned to eliminate duplicates Z: 82 48.203 2.015 0.746 0.619 0.914 0.593 CB 1.490 82 residues pruned to eliminate duplicates Z: 56 44.443 2.084 0.769 0.631 0.945 0.618 CB 1.520 56 residues pruned to eliminate duplicates Z: 55 46.558 2.093 0.860 0.651 0.926 0.704 CB 1.527 55 residues pruned to eliminate duplicates Z: 46 35.731 2.000 0.637 0.647 0.956 0.689 CB 1.483 46 residues pruned to eliminate duplicates Z: 42 27.751 1.993 0.695 0.598 0.829 0.585 CA 1.408 42 residues pruned to eliminate duplicates Z: 203 68.626 2.135 0.634 0.526 0.916 0.619 CB 1.473 203 residues pruned to eliminate duplicates Z: 18 20.118 1.891 0.577 0.895 0.941 0.824 CA 1.246 18 residues pruned to eliminate duplicates Z: 38 26.421 1.995 0.720 0.602 0.865 0.595 CA 1.329 38 residues pruned to eliminate duplicates Z: 57 40.629 2.041 0.662 0.612 0.964 0.661 CB 1.493 57 residues pruned to eliminate duplicates Z: 89 45.472 2.083 0.644 0.593 0.932 0.636 CB 1.389 89 residues pruned to eliminate duplicates Z: 90 48.787 2.087 0.645 0.595 0.955 0.652 CB 1.442 90 residues pruned to eliminate duplicates Z: 55 39.936 2.079 0.591 0.632 0.963 0.704 CB 1.507 55 residues pruned to eliminate duplicates Z: 53 42.149 2.129 0.707 0.607 0.942 0.577 CB 1.542 53 residues pruned to eliminate duplicates Z: 90 44.686 2.110 0.612 0.582 0.921 0.640 CB 1.397 90 residues pruned to eliminate duplicates Z: 70 45.442 2.054 0.679 0.612 0.942 0.594 CB 1.515 70 residues pruned to eliminate duplicates Z: 49 35.798 2.051 0.700 0.599 0.917 0.583 CA 1.471 49 residues pruned to eliminate duplicates Z: 91 43.827 2.072 0.651 0.565 0.900 0.611 CB 1.409 91 residues pruned to eliminate duplicates Z: 55 35.525 2.040 0.627 0.595 0.944 0.704 CB 1.408 55 residues pruned to eliminate duplicates Z: 63 37.188 2.063 0.554 0.589 0.952 0.565 CB 1.421 63 residues pruned to eliminate duplicates Z: 153 65.408 2.164 0.660 0.564 0.921 0.612 CB 1.507 153 residues pruned to eliminate duplicates Z: 53 43.305 2.106 0.712 0.648 0.942 0.673 CB 1.540 53 residues pruned to eliminate duplicates Z: 59 40.339 2.040 0.698 0.591 0.948 0.638 CB 1.478 59 residues pruned to eliminate duplicates Z: 57 39.932 2.097 0.686 0.604 0.929 0.679 CB 1.472 57 residues pruned to eliminate duplicates Z: 86 51.042 2.119 0.753 0.620 0.918 0.671 CB 1.450 86 residues pruned to eliminate duplicates Z: 90 45.180 2.101 0.628 0.562 0.921 0.618 CB 1.432 90 residues pruned to eliminate duplicates Z: 85 47.020 2.114 0.650 0.581 0.929 0.679 CB 1.465 85 residues pruned to eliminate duplicates Z: 74 49.210 2.117 0.699 0.638 0.945 0.671 CB 1.489 74 residues pruned to eliminate duplicates Z: 55 45.006 2.115 0.763 0.619 0.963 0.685 CB 1.524 55 residues pruned to eliminate duplicates Z: 89 46.025 2.089 0.681 0.578 0.898 0.648 CB 1.444 89 residues pruned to eliminate duplicates Z: 62 34.556 2.050 0.596 0.571 0.918 0.623 CB 1.375 62 residues pruned to eliminate duplicates Z: 67 46.246 2.098 0.776 0.610 0.924 0.652 CB 1.490 67 residues pruned to eliminate duplicates Z: 20 20.062 2.162 0.491 0.553 0.895 0.632 CB 1.515 20 residues pruned to eliminate duplicates Z: 21 20.490 2.058 0.485 0.576 0.900 0.600 CB 1.548 21 residues pruned to eliminate duplicates Z: 98 47.277 2.110 0.714 0.574 0.876 0.598 CB 1.410 98 residues pruned to eliminate duplicates Z: 63 31.432 2.027 0.569 0.527 0.903 0.597 CB 1.354 63 residues pruned to eliminate duplicates Z: 88 50.591 2.124 0.674 0.603 0.943 0.655 CB 1.468 88 residues pruned to eliminate duplicates Z: 39 25.332 2.023 0.588 0.490 0.921 0.526 CB 1.403 39 residues pruned to eliminate duplicates Z: 15 19.022 2.056 0.757 0.560 0.929 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 131 52.510 2.077 0.652 0.541 0.900 0.554 CB 1.433 131 residues pruned to eliminate duplicates Z: 93 47.097 2.094 0.696 0.559 0.913 0.587 CB 1.430 93 residues pruned to eliminate duplicates Z: 48 28.241 2.039 0.623 0.528 0.894 0.574 CB 1.355 48 residues pruned to eliminate duplicates Z: 55 31.796 2.083 0.612 0.518 0.889 0.630 CB 1.424 55 residues pruned to eliminate duplicates Z: 39 26.474 2.093 0.588 0.551 0.868 0.579 CB 1.415 39 residues pruned to eliminate duplicates Z: 45 28.014 2.051 0.585 0.525 0.955 0.636 CB 1.328 45 residues pruned to eliminate duplicates Z: 78 50.207 2.121 0.705 0.638 0.948 0.649 CB 1.466 78 residues pruned to eliminate duplicates Z: 37 24.264 2.047 0.587 0.519 0.944 0.611 CB 1.293 37 residues pruned to eliminate duplicates Z: 24 24.883 2.001 0.701 0.659 1.000 0.652 CB 1.316 24 residues pruned to eliminate duplicates Z: 81 49.145 2.102 0.725 0.620 0.938 0.738 CB 1.442 81 residues pruned to eliminate duplicates Z: 88 50.437 2.094 0.709 0.598 0.966 0.644 CB 1.425 88 residues pruned to eliminate duplicates Z: 95 42.465 2.073 0.684 0.528 0.883 0.617 CB 1.382 95 residues pruned to eliminate duplicates Z: 45 25.565 2.047 0.668 0.481 0.886 0.523 CB 1.298 45 residues pruned to eliminate duplicates Z: 43 26.691 2.060 0.645 0.543 0.857 0.548 CB 1.359 43 residues pruned to eliminate duplicates Z: 35 27.377 2.115 0.556 0.597 0.941 0.676 CB 1.382 35 residues pruned to eliminate duplicates Z: 89 48.853 2.061 0.701 0.564 0.943 0.625 CB 1.480 89 residues pruned to eliminate duplicates Z: 149 63.906 2.121 0.753 0.556 0.932 0.595 CB 1.435 149 residues pruned to eliminate duplicates Z: 36 27.888 2.097 0.634 0.573 0.943 0.571 CB 1.360 36 residues pruned to eliminate duplicates Z: 59 34.351 2.132 0.604 0.549 0.897 0.621 CB 1.402 59 residues pruned to eliminate duplicates Z: 38 25.973 2.006 0.641 0.548 0.946 0.703 CB 1.309 38 residues pruned to eliminate duplicates Z: 184 68.241 2.104 0.702 0.538 0.923 0.574 CB 1.470 184 residues pruned to eliminate duplicates Z: 37 26.273 2.048 0.543 0.545 0.972 0.583 CB 1.363 37 residues pruned to eliminate duplicates Z: 170 61.766 2.127 0.686 0.511 0.899 0.562 CB 1.457 170 residues pruned to eliminate duplicates Z: 29 17.247 1.991 0.598 0.489 0.857 0.679 CB 1.208 29 residues pruned to eliminate duplicates Z: 55 36.909 2.089 0.672 0.556 0.944 0.704 CB 1.442 55 residues pruned to eliminate duplicates Z: 14 4.869 1.724 0.305 0.298 0.692 0.308 CB 1.087 14 residues pruned to eliminate duplicates Z: 9 5.196 1.850 0.167 0.331 0.750 0.375 CB 1.364 9 residues pruned to eliminate duplicates Z: 91 45.683 2.095 0.649 0.544 0.922 0.633 CB 1.448 91 residues pruned to eliminate duplicates Z: 98 49.383 2.109 0.712 0.551 0.918 0.608 CB 1.440 98 residues pruned to eliminate duplicates Z: 36 27.574 2.094 0.614 0.577 0.943 0.629 CB 1.358 36 residues pruned to eliminate duplicates Z: 111 49.707 2.171 0.634 0.513 0.891 0.509 CB 1.479 111 residues pruned to eliminate duplicates Z: 6 3.714 1.372 0.895 0.287 0.800 0.400 C 1.014 6 residues pruned to eliminate duplicates Z: 88 44.817 2.140 0.720 0.502 0.862 0.598 CB 1.511 88 residues pruned to eliminate duplicates Z: 120 55.160 2.125 0.690 0.564 0.924 0.563 CB 1.432 120 residues pruned to eliminate duplicates Z: 101 48.740 2.097 0.713 0.559 0.910 0.650 CB 1.408 101 residues pruned to eliminate duplicates Z: 17 12.347 2.158 0.227 0.381 0.938 0.500 CB 1.412 17 residues pruned to eliminate duplicates Z: 15 9.718 2.071 0.519 0.326 0.857 0.500 CB 1.165 15 residues pruned to eliminate duplicates Z: 99 49.470 2.117 0.661 0.562 0.929 0.592 CB 1.441 99 residues pruned to eliminate duplicates Z: 15 12.070 2.011 0.823 0.424 0.786 0.357 CB 1.212 15 residues pruned to eliminate duplicates Z: 79 43.020 2.181 0.635 0.494 0.897 0.436 CB 1.532 79 residues pruned to eliminate duplicates Z: 62 34.993 2.127 0.621 0.561 0.902 0.639 CB 1.359 62 residues pruned to eliminate duplicates Z: 117 54.523 2.144 0.668 0.587 0.914 0.569 CB 1.425 117 residues pruned to eliminate duplicates Z: 19 10.453 1.960 0.605 0.325 0.778 0.556 CB 1.221 19 residues pruned to eliminate duplicates Z: 30 20.221 2.046 0.669 0.560 0.759 0.310 CB 1.368 30 residues pruned to eliminate duplicates Z: 125 56.923 2.084 0.660 0.585 0.944 0.653 CB 1.442 125 residues pruned to eliminate duplicates Z: 64 49.999 2.224 0.781 0.577 0.921 0.524 CB 1.604 66 residues pruned to eliminate duplicates Z: 18 21.761 1.987 0.420 0.710 1.000 0.529 CA 1.545 18 residues pruned to eliminate duplicates Z: 140 66.269 2.097 0.772 0.567 0.950 0.576 CB 1.493 140 residues pruned to eliminate duplicates Z: 20 25.668 2.034 0.724 0.680 0.947 0.526 CB 1.502 20 residues pruned to eliminate duplicates Z: 20 24.619 2.066 0.658 0.666 0.895 0.526 CB 1.581 20 residues pruned to eliminate duplicates Z: 67 47.050 2.175 0.714 0.548 0.939 0.500 CB 1.578 67 residues pruned to eliminate duplicates Z: 68 49.293 2.124 0.777 0.615 0.925 0.642 CB 1.546 68 residues pruned to eliminate duplicates Z: 21 21.464 1.997 0.660 0.558 0.950 0.550 CB 1.440 21 residues pruned to eliminate duplicates Z: 41 41.777 2.183 0.922 0.655 0.850 0.500 CB 1.603 41 residues pruned to eliminate duplicates Z: 19 26.261 2.121 0.823 0.696 0.833 0.556 CB 1.607 19 residues pruned to eliminate duplicates Z: 66 49.204 2.195 0.810 0.560 0.892 0.508 CB 1.624 66 residues pruned to eliminate duplicates Z: 66 51.952 2.162 0.882 0.572 0.923 0.538 CA 1.600 64 residues pruned to eliminate duplicates Z: 17 25.274 1.937 0.914 0.820 0.875 0.562 CB 1.475 17 residues pruned to eliminate duplicates Z: 22 31.120 2.041 0.960 0.741 0.952 0.571 CB 1.436 22 residues pruned to eliminate duplicates Z: 24 25.661 2.031 0.879 0.635 0.870 0.435 CB 1.420 24 residues pruned to eliminate duplicates Z: 67 48.634 2.185 0.894 0.543 0.894 0.409 CB 1.552 68 residues pruned to eliminate duplicates Z: 19 24.251 1.897 0.859 0.729 0.889 0.333 CB 1.484 19 residues pruned to eliminate duplicates Z: 64 52.469 2.216 0.977 0.564 0.889 0.524 CB 1.595 64 residues pruned to eliminate duplicates Z: 64 52.922 2.242 0.868 0.574 0.905 0.492 CB 1.639 64 residues pruned to eliminate duplicates Z: 6 4.204 1.554 0.292 0.450 1.000 0.600 CA 0.985 6 residues pruned to eliminate duplicates Z: 23 33.316 2.225 1.078 0.626 0.864 0.591 CB 1.580 23 residues pruned to eliminate duplicates Z: 47 37.029 2.199 0.721 0.492 0.913 0.565 CB 1.593 47 residues pruned to eliminate duplicates Z: 25 32.710 2.238 1.042 0.582 0.875 0.708 CB 1.543 25 residues pruned to eliminate duplicates Z: 25 32.967 2.259 1.087 0.578 0.875 0.583 CB 1.514 25 residues pruned to eliminate duplicates Z: 65 53.046 2.210 0.809 0.587 0.953 0.578 CB 1.601 65 residues pruned to eliminate duplicates Z: 23 36.742 2.246 1.143 0.637 0.909 0.591 CB 1.574 23 residues pruned to eliminate duplicates Z: 23 35.380 2.247 1.125 0.631 0.909 0.545 CB 1.537 23 residues pruned to eliminate duplicates Z: 27 30.838 2.105 0.987 0.595 0.885 0.654 CB 1.492 27 residues pruned to eliminate duplicates Z: 26 32.659 2.213 1.098 0.596 0.880 0.520 CB 1.459 26 residues pruned to eliminate duplicates Z: 45 43.559 2.263 0.854 0.529 0.909 0.523 CB 1.675 45 residues pruned to eliminate duplicates Z: 14 34.383 2.199 1.078 0.829 0.923 0.615 CB 1.701 14 residues pruned to eliminate duplicates Z: 45 47.916 2.157 0.927 0.678 0.932 0.591 CB 1.584 45 residues pruned to eliminate duplicates Z: 46 42.755 2.213 0.926 0.514 0.911 0.489 CB 1.619 46 residues pruned to eliminate duplicates Z: 44 47.270 2.180 1.005 0.670 0.930 0.605 CB 1.517 44 residues pruned to eliminate duplicates Z: 46 36.848 2.163 0.792 0.491 0.933 0.489 CB 1.533 46 residues pruned to eliminate duplicates Z: 23 34.390 2.172 1.050 0.617 0.864 0.636 CB 1.707 23 residues pruned to eliminate duplicates Z: 46 42.512 2.253 0.783 0.512 0.933 0.578 CB 1.670 46 residues pruned to eliminate duplicates Z: 78 51.340 2.220 0.897 0.532 0.870 0.494 CB 1.547 78 residues pruned to eliminate duplicates Z: 164 72.468 2.151 0.769 0.564 0.951 0.595 CB 1.474 164 residues pruned to eliminate duplicates Z: 66 43.415 2.162 0.778 0.496 0.892 0.523 CB 1.576 66 residues pruned to eliminate duplicates Z: 79 49.655 2.174 0.828 0.539 0.885 0.526 CB 1.539 79 residues pruned to eliminate duplicates Z: 22 22.678 2.251 0.610 0.425 0.952 0.429 CA 1.550 22 residues pruned to eliminate duplicates Z: 24 21.213 2.159 0.575 0.438 0.913 0.435 CA 1.520 24 residues pruned to eliminate duplicates Z: 19 20.646 2.109 0.709 0.446 0.944 0.556 CB 1.510 19 residues pruned to eliminate duplicates Z: 23 21.297 2.103 0.694 0.414 0.955 0.500 CA 1.461 23 residues pruned to eliminate duplicates Z: 66 46.056 2.177 0.833 0.564 0.877 0.508 CB 1.534 66 residues pruned to eliminate duplicates Z: 22 19.785 2.190 0.597 0.373 0.905 0.476 CA 1.562 22 residues pruned to eliminate duplicates Z: 22 21.319 2.194 0.663 0.373 0.952 0.476 CA 1.535 22 residues pruned to eliminate duplicates Z: 25 22.502 2.040 0.657 0.456 1.000 0.625 CA 1.421 25 residues pruned to eliminate duplicates Z: 23 22.289 2.120 0.493 0.434 1.000 0.636 CA 1.607 23 residues pruned to eliminate duplicates Z: 23 23.569 2.146 0.522 0.449 1.000 0.409 CA 1.621 23 residues pruned to eliminate duplicates Z: 21 22.335 2.241 0.545 0.396 1.000 0.500 CA 1.610 21 residues pruned to eliminate duplicates Z: 45 40.950 2.260 0.834 0.517 0.886 0.523 CB 1.653 45 residues pruned to eliminate duplicates Z: 22 17.615 2.043 0.519 0.400 0.952 0.524 CA 1.445 22 residues pruned to eliminate duplicates Z: 24 17.961 2.063 0.511 0.376 0.913 0.435 CA 1.502 24 residues pruned to eliminate duplicates Z: 22 19.777 2.202 0.555 0.432 0.857 0.524 CA 1.576 22 residues pruned to eliminate duplicates Z: 21 17.942 2.253 0.468 0.373 0.850 0.450 CA 1.634 21 residues pruned to eliminate duplicates Z: 149 65.835 2.132 0.716 0.551 0.932 0.574 CB 1.510 149 residues pruned to eliminate duplicates Z: 32 22.941 2.130 0.647 0.471 0.806 0.484 CB 1.500 32 residues pruned to eliminate duplicates Z: 51 32.874 2.179 0.631 0.490 0.840 0.540 CB 1.573 51 residues pruned to eliminate duplicates Z: 41 30.306 2.169 0.639 0.473 0.900 0.550 CA 1.539 68 residues pruned to eliminate duplicates Z: 6 4.390 1.650 0.404 0.448 0.800 0.800 CA 1.118 6 residues pruned to eliminate duplicates Z: 8 8.786 2.055 0.382 0.405 1.000 0.571 CA 1.291 8 residues pruned to eliminate duplicates Z: 31 30.085 2.137 0.778 0.575 0.900 0.600 CB 1.493 30 residues pruned to eliminate duplicates Z: 15 14.431 1.969 0.523 0.710 0.857 0.571 CB 1.240 15 residues pruned to eliminate duplicates Z: 24 21.249 2.162 0.538 0.538 0.870 0.565 CB 1.476 24 residues pruned to eliminate duplicates Z: 21 19.067 2.086 0.525 0.552 0.900 0.550 CB 1.415 21 residues pruned to eliminate duplicates Z: 35 26.579 2.078 0.723 0.506 0.853 0.529 CA 1.483 36 residues pruned to eliminate duplicates Z: 13 23.106 2.092 0.616 0.783 1.000 0.583 CB 1.538 13 residues pruned to eliminate duplicates Z: 31 26.378 2.142 0.644 0.561 0.867 0.633 CB 1.487 31 residues pruned to eliminate duplicates Z: 32 28.160 2.155 0.679 0.553 0.935 0.645 CB 1.420 32 residues pruned to eliminate duplicates Z: 13 18.673 1.975 0.411 0.878 1.000 0.917 CA 1.404 13 residues pruned to eliminate duplicates Z: 20 13.838 1.952 0.614 0.332 0.895 0.474 CA 1.354 20 residues pruned to eliminate duplicates Z: 26 24.860 2.095 0.757 0.571 0.880 0.560 CB 1.433 26 residues pruned to eliminate duplicates Z: 20 21.620 2.137 0.617 0.605 0.895 0.579 CB 1.451 20 residues pruned to eliminate duplicates Z: 75 44.744 2.138 0.780 0.533 0.919 0.622 CB 1.440 75 residues pruned to eliminate duplicates Z: 31 28.369 2.142 0.680 0.565 0.900 0.633 CB 1.501 31 residues pruned to eliminate duplicates Z: 35 27.666 1.980 0.731 0.491 0.941 0.412 CA 1.485 35 residues pruned to eliminate duplicates Z: 31 28.432 2.162 0.704 0.563 0.900 0.600 CB 1.473 31 residues pruned to eliminate duplicates Z: 14 15.478 1.955 0.819 0.511 0.923 0.692 CA 1.294 14 residues pruned to eliminate duplicates Z: 13 16.356 1.970 0.936 0.553 0.917 0.583 CB 1.282 13 residues pruned to eliminate duplicates Z: 12 15.766 2.087 0.806 0.458 0.909 0.636 CB 1.447 12 residues pruned to eliminate duplicates Z: 12 20.773 2.184 0.856 0.536 1.000 0.636 CB 1.491 12 residues pruned to eliminate duplicates Z: 11 21.317 2.213 1.151 0.541 1.000 0.700 CB 1.360 11 residues pruned to eliminate duplicates Z: 6 4.515 1.552 0.115 0.645 1.000 0.600 CB 1.019 6 residues pruned to eliminate duplicates Z: 11 10.826 1.965 0.541 0.482 0.900 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 37 23.032 2.038 0.628 0.456 0.944 0.667 CB 1.280 37 residues pruned to eliminate duplicates Z: 10 11.098 2.035 0.736 0.502 0.889 0.667 CB 1.176 10 residues pruned to eliminate duplicates Z: 12 9.823 1.879 0.598 0.463 0.909 0.818 CB 1.126 12 residues pruned to eliminate duplicates Z: 19 14.728 1.782 0.827 0.470 0.944 0.500 CB 1.164 15 residues pruned to eliminate duplicates Z: 6 3.608 1.530 1.396 0.315 1.000 0.600 CA 0.540 6 residues pruned to eliminate duplicates Z: 37 21.626 2.023 0.705 0.434 0.889 0.583 CB 1.259 37 residues pruned to eliminate duplicates Z: 27 16.270 1.993 0.603 0.410 0.885 0.500 CB 1.241 27 residues pruned to eliminate duplicates Z: 24 11.866 1.961 0.556 0.328 0.826 0.435 CB 1.185 24 residues pruned to eliminate duplicates Z: 38 21.057 2.015 0.657 0.457 0.865 0.595 CB 1.253 38 residues pruned to eliminate duplicates Z: 20 14.923 2.040 0.701 0.348 0.789 0.421 CB 1.474 20 residues pruned to eliminate duplicates Z: 35 20.871 2.035 0.598 0.483 0.941 0.647 CB 1.190 35 residues pruned to eliminate duplicates Z: 19 17.861 2.109 0.694 0.411 0.944 0.667 CB 1.370 19 residues pruned to eliminate duplicates Z: 23 18.811 2.134 0.659 0.422 0.909 0.727 CB 1.351 22 residues pruned to eliminate duplicates Z: 6 9.910 2.235 0.756 0.484 0.800 0.600 CB 1.434 6 residues pruned to eliminate duplicates Z: 26 19.876 2.077 0.625 0.467 0.880 0.680 CB 1.384 26 residues pruned to eliminate duplicates Z: 27 24.430 2.107 0.819 0.488 0.923 0.692 CB 1.371 27 residues pruned to eliminate duplicates Z: 35 21.342 1.981 0.623 0.438 0.882 0.588 CB 1.376 35 residues pruned to eliminate duplicates Z: 10 13.968 2.000 0.797 0.573 0.778 0.667 CB 1.552 10 residues pruned to eliminate duplicates Z: 27 21.582 2.068 0.874 0.461 0.808 0.538 CB 1.406 27 residues pruned to eliminate duplicates Z: 28 17.891 2.054 0.782 0.423 0.852 0.630 CB 1.196 27 residues pruned to eliminate duplicates Z: 6 3.976 1.843 0.626 0.151 0.800 0.200 CA 1.139 Z: 6 3.400 1.867 0.624 0.304 0.400 0.200 CA 1.559 3 residues pruned to eliminate duplicates Z: 19 28.966 1.909 1.055 0.712 0.944 0.778 CB 1.521 19 residues pruned to eliminate duplicates Z: 22 28.357 2.202 1.002 0.429 0.952 0.381 CB 1.586 9 residues pruned to eliminate duplicates Z: 8 8.431 1.647 0.509 0.478 1.000 0.286 CA 1.312 8 residues pruned to eliminate duplicates Z: 13 15.068 2.075 0.982 0.464 0.833 0.417 CB 1.317 13 residues pruned to eliminate duplicates Z: 9 7.813 1.909 0.900 0.574 0.875 0.375 CB 0.810 9 residues pruned to eliminate duplicates Z: 7 11.190 2.049 0.651 0.619 1.000 0.333 CB 1.207 7 residues pruned to eliminate duplicates 336 residues left after pruning, divided into chains as follows: A: 277 B: 37 C: 22 CC for partial structure against native data = 40.82 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.345, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.395, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.468, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.473, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.481, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.486, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.491, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.495, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.499, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.502, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2590 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 498 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 28.549 2.364 0.875 0.907 1.000 0.857 CB 1.731 B: 11 24.024 2.190 0.640 0.812 1.000 0.900 CB 1.612 C: 13 11.986 2.085 0.547 0.392 0.833 0.417 CA 1.442 D: 14 35.855 2.168 1.372 0.879 0.923 0.615 CB 1.519 E: 8 23.228 2.329 0.695 0.901 1.000 0.857 CB 1.587 8 residues pruned to eliminate duplicates F: 98 46.041 2.130 0.682 0.518 0.887 0.505 CB 1.445 G: 11 21.963 2.165 0.572 0.839 1.000 0.900 CB 1.525 11 residues pruned to eliminate duplicates H: 9 28.157 2.391 0.777 0.923 1.000 1.000 CB 1.647 8 residues pruned to eliminate duplicates I: 9 29.669 2.359 0.978 0.892 1.000 0.625 CB 1.615 9 residues pruned to eliminate duplicates J: 12 19.882 2.028 0.535 0.890 0.909 0.727 CB 1.524 11 residues pruned to eliminate duplicates K: 94 48.614 2.124 0.687 0.561 0.925 0.624 CB 1.435 93 residues pruned to eliminate duplicates L: 11 31.178 2.373 0.676 0.885 1.000 0.700 CB 1.789 9 residues pruned to eliminate duplicates M: 68 43.521 2.141 0.800 0.539 0.866 0.463 CB 1.534 14 residues pruned to eliminate duplicates N: 54 39.717 2.077 0.706 0.661 0.925 0.623 CB 1.434 54 residues pruned to eliminate duplicates O: 16 18.556 1.845 0.537 0.833 1.000 0.800 CB 1.267 16 residues pruned to eliminate duplicates P: 25 31.330 2.108 0.576 0.834 1.000 0.625 CB 1.443 37 residues pruned to eliminate duplicates Q: 46 24.048 1.942 0.613 0.485 0.844 0.422 CB 1.375 41 residues pruned to eliminate duplicates R: 14 36.516 2.154 1.489 0.880 0.923 0.692 CB 1.482 14 residues pruned to eliminate duplicates S: 14 27.076 2.056 0.996 0.887 1.000 0.769 CB 1.320 14 residues pruned to eliminate duplicates T: 26 16.934 1.989 0.538 0.527 0.840 0.680 CB 1.284 26 residues pruned to eliminate duplicates U: 56 35.659 2.119 0.728 0.543 0.873 0.618 CB 1.441 11 residues pruned to eliminate duplicates V: 10 18.735 2.038 0.538 0.817 1.000 0.778 CB 1.512 W: 36 23.667 2.033 0.740 0.488 0.914 0.629 CB 1.252 X: 16 24.487 2.005 0.545 0.826 1.000 0.800 CA 1.539 16 residues pruned to eliminate duplicates Y: 13 18.576 2.017 0.499 0.748 0.917 0.750 CA 1.551 13 residues pruned to eliminate duplicates Z: 13 14.034 1.955 0.768 0.451 1.000 0.500 CB 1.232 Z: 12 17.047 2.062 0.222 0.875 1.000 0.909 CA 1.484 Z: 11 12.998 1.822 0.320 0.785 1.000 0.800 CB 1.330 11 residues pruned to eliminate duplicates Z: 17 25.812 1.964 0.878 0.867 1.000 0.688 CB 1.280 17 residues pruned to eliminate duplicates Z: 8 6.451 1.769 0.191 0.626 0.857 0.714 CA 1.199 8 residues pruned to eliminate duplicates Z: 11 19.097 1.965 0.579 0.843 1.000 0.800 CB 1.450 10 residues pruned to eliminate duplicates Z: 17 27.597 1.991 0.856 0.828 0.938 0.375 CB 1.499 17 residues pruned to eliminate duplicates Z: 11 17.524 2.005 0.656 0.750 0.900 0.700 CB 1.484 11 residues pruned to eliminate duplicates Z: 13 31.672 2.252 1.146 0.902 0.917 0.750 CB 1.472 13 residues pruned to eliminate duplicates Z: 24 33.295 2.207 1.065 0.584 0.870 0.609 CB 1.617 24 residues pruned to eliminate duplicates Z: 12 12.911 2.097 0.557 0.498 0.909 0.545 CB 1.314 12 residues pruned to eliminate duplicates Z: 22 37.378 2.183 1.102 0.692 0.952 0.619 CB 1.565 22 residues pruned to eliminate duplicates Z: 8 8.257 1.682 0.307 0.685 1.000 0.714 CA 1.198 8 residues pruned to eliminate duplicates Z: 11 12.935 1.849 0.198 0.808 1.000 0.800 CA 1.411 11 residues pruned to eliminate duplicates Z: 16 24.157 2.003 0.593 0.825 1.000 0.800 CA 1.475 16 residues pruned to eliminate duplicates Z: 15 20.471 2.087 0.340 0.835 1.000 0.786 CB 1.467 15 residues pruned to eliminate duplicates Z: 17 21.803 1.954 0.556 0.819 1.000 0.688 CA 1.359 17 residues pruned to eliminate duplicates Z: 118 52.414 2.168 0.738 0.509 0.855 0.521 CB 1.492 120 residues pruned to eliminate duplicates Z: 11 25.847 2.374 0.413 0.918 1.000 0.900 CA 1.718 15 residues pruned to eliminate duplicates Z: 24 25.836 2.183 0.453 0.829 0.913 0.783 CB 1.400 24 residues pruned to eliminate duplicates Z: 26 23.678 2.035 0.675 0.515 1.000 0.800 CB 1.368 25 residues pruned to eliminate duplicates Z: 12 12.137 1.800 0.205 0.827 1.000 0.818 CB 1.271 11 residues pruned to eliminate duplicates Z: 9 7.937 2.038 0.506 0.313 0.750 0.500 CB 1.500 9 residues pruned to eliminate duplicates Z: 15 33.727 2.081 1.160 0.864 1.000 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 6 5.960 1.575 0.273 0.737 1.000 0.600 CB 1.074 6 residues pruned to eliminate duplicates Z: 22 24.366 2.168 0.621 0.487 0.952 0.524 CB 1.609 22 residues pruned to eliminate duplicates Z: 33 26.415 2.070 0.702 0.513 0.906 0.562 CB 1.444 25 residues pruned to eliminate duplicates Z: 25 29.109 2.050 0.603 0.831 0.917 0.708 CB 1.482 25 residues pruned to eliminate duplicates Z: 19 20.890 1.962 0.528 0.807 0.944 0.722 CB 1.331 19 residues pruned to eliminate duplicates Z: 12 19.150 2.048 0.699 0.764 0.909 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 13 19.589 1.946 0.398 0.900 1.000 0.917 CA 1.484 13 residues pruned to eliminate duplicates Z: 15 31.685 2.114 1.137 0.872 0.929 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 14 34.587 2.134 1.231 0.884 0.923 0.692 CA 1.577 14 residues pruned to eliminate duplicates Z: 13 19.628 1.980 0.375 0.910 1.000 0.917 CA 1.477 13 residues pruned to eliminate duplicates Z: 7 9.664 1.930 1.040 0.461 1.000 0.667 CB 1.043 6 residues pruned to eliminate duplicates Z: 120 49.810 2.094 0.569 0.551 0.916 0.571 CB 1.444 121 residues pruned to eliminate duplicates Z: 12 22.807 2.167 0.766 0.816 0.909 0.818 CB 1.502 12 residues pruned to eliminate duplicates Z: 14 18.537 1.947 0.703 0.758 0.923 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 25 19.731 1.977 0.604 0.451 0.917 0.708 CB 1.457 25 residues pruned to eliminate duplicates Z: 10 11.805 1.885 0.482 0.822 0.889 0.667 CB 1.199 10 residues pruned to eliminate duplicates Z: 97 47.376 2.107 0.643 0.545 0.938 0.573 CB 1.425 97 residues pruned to eliminate duplicates Z: 61 39.782 2.152 0.647 0.562 0.900 0.650 CB 1.516 61 residues pruned to eliminate duplicates Z: 54 25.743 2.030 0.639 0.496 0.849 0.604 CB 1.257 54 residues pruned to eliminate duplicates Z: 20 23.939 2.018 0.862 0.605 0.947 0.632 CB 1.396 20 residues pruned to eliminate duplicates Z: 24 31.656 2.191 0.592 0.852 1.000 0.783 CB 1.400 24 residues pruned to eliminate duplicates Z: 36 19.774 1.961 0.488 0.418 0.943 0.600 CB 1.324 36 residues pruned to eliminate duplicates Z: 9 14.911 1.913 0.618 0.817 1.000 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 8 4.242 1.791 0.088 0.445 1.000 0.571 CB 0.871 Z: 58 43.251 2.161 0.715 0.598 0.930 0.632 CB 1.514 58 residues pruned to eliminate duplicates Z: 13 18.863 2.007 0.380 0.915 1.000 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 11 20.301 2.176 0.289 0.893 1.000 0.900 CA 1.644 10 residues pruned to eliminate duplicates Z: 20 26.055 1.982 0.768 0.834 1.000 0.632 CA 1.279 20 residues pruned to eliminate duplicates Z: 13 21.424 2.036 0.484 0.889 1.000 0.750 CB 1.474 13 residues pruned to eliminate duplicates Z: 13 22.120 2.054 0.499 0.773 1.000 0.750 CB 1.629 13 residues pruned to eliminate duplicates Z: 104 48.986 2.080 0.686 0.569 0.932 0.689 CB 1.380 104 residues pruned to eliminate duplicates Z: 39 32.888 2.108 0.755 0.610 0.895 0.684 CB 1.453 39 residues pruned to eliminate duplicates Z: 9 9.759 1.860 0.747 0.526 1.000 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 16 22.047 1.995 0.369 0.863 1.000 1.000 CA 1.529 16 residues pruned to eliminate duplicates Z: 15 30.360 2.115 1.216 0.806 0.929 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 26 25.821 1.980 0.548 0.832 0.960 0.640 CB 1.318 26 residues pruned to eliminate duplicates Z: 67 41.095 2.171 0.644 0.524 0.894 0.621 CB 1.548 58 residues pruned to eliminate duplicates Z: 14 25.417 2.126 0.767 0.819 0.923 0.615 CB 1.541 14 residues pruned to eliminate duplicates Z: 20 23.163 1.952 0.639 0.806 0.895 0.789 CB 1.421 20 residues pruned to eliminate duplicates Z: 15 30.011 2.021 1.188 0.866 0.929 0.786 CB 1.431 15 residues pruned to eliminate duplicates Z: 16 18.808 1.932 0.400 0.824 1.000 0.600 CA 1.355 16 residues pruned to eliminate duplicates Z: 43 29.243 2.122 0.796 0.533 0.881 0.571 CB 1.301 43 residues pruned to eliminate duplicates Z: 46 37.855 2.139 0.830 0.609 0.933 0.667 CB 1.392 46 residues pruned to eliminate duplicates Z: 11 21.139 2.126 0.507 0.853 1.000 0.900 CA 1.541 11 residues pruned to eliminate duplicates Z: 13 17.601 1.942 0.431 0.846 0.917 0.750 CB 1.481 13 residues pruned to eliminate duplicates Z: 27 30.710 2.256 0.962 0.518 0.846 0.500 CB 1.579 27 residues pruned to eliminate duplicates Z: 15 18.127 2.032 0.311 0.824 1.000 0.643 CB 1.373 15 residues pruned to eliminate duplicates Z: 9 10.236 1.929 0.324 0.815 0.875 0.875 CB 1.232 9 residues pruned to eliminate duplicates Z: 21 18.802 2.073 0.719 0.458 0.800 0.600 CB 1.539 13 residues pruned to eliminate duplicates Z: 17 11.108 1.828 0.501 0.366 0.812 0.438 CA 1.438 17 residues pruned to eliminate duplicates Z: 11 16.497 2.262 0.537 0.412 0.900 0.600 CA 1.829 11 residues pruned to eliminate duplicates Z: 99 43.913 2.070 0.651 0.526 0.929 0.602 CB 1.362 99 residues pruned to eliminate duplicates Z: 16 13.687 2.086 0.305 0.446 0.867 0.733 CB 1.584 17 residues pruned to eliminate duplicates Z: 72 40.345 2.158 0.678 0.508 0.873 0.549 CB 1.502 72 residues pruned to eliminate duplicates Z: 14 21.964 1.983 0.490 0.880 1.000 0.923 CA 1.493 14 residues pruned to eliminate duplicates Z: 65 44.574 2.176 0.736 0.540 0.922 0.547 CB 1.538 67 residues pruned to eliminate duplicates Z: 27 32.928 2.077 0.915 0.639 0.923 0.692 CB 1.545 27 residues pruned to eliminate duplicates Z: 19 21.376 1.915 0.685 0.817 0.889 0.722 CA 1.333 19 residues pruned to eliminate duplicates Z: 35 14.123 1.877 0.489 0.362 0.824 0.500 CB 1.221 35 residues pruned to eliminate duplicates Z: 35 35.687 2.067 0.911 0.676 0.912 0.676 CB 1.446 35 residues pruned to eliminate duplicates Z: 22 23.968 2.122 0.915 0.530 0.905 0.619 CB 1.380 22 residues pruned to eliminate duplicates Z: 20 28.464 2.118 1.055 0.641 0.842 0.684 CB 1.562 20 residues pruned to eliminate duplicates Z: 12 9.541 1.804 0.736 0.550 0.818 0.818 CB 1.070 10 residues pruned to eliminate duplicates Z: 12 15.446 2.099 0.881 0.503 0.909 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 59 39.856 2.145 0.697 0.577 0.914 0.603 CB 1.461 58 residues pruned to eliminate duplicates Z: 13 28.750 2.084 1.123 0.872 0.917 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 30 34.101 2.190 0.843 0.611 0.897 0.690 CB 1.576 30 residues pruned to eliminate duplicates Z: 16 23.257 1.991 0.540 0.841 1.000 0.533 CA 1.461 16 residues pruned to eliminate duplicates Z: 13 14.490 1.981 0.650 0.442 1.000 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 12 19.458 2.009 0.502 0.828 1.000 0.818 CB 1.464 12 residues pruned to eliminate duplicates Z: 16 17.930 1.988 0.456 0.856 0.933 0.867 CA 1.264 16 residues pruned to eliminate duplicates Z: 66 48.399 2.183 0.858 0.563 0.877 0.554 CB 1.589 66 residues pruned to eliminate duplicates Z: 32 25.620 2.053 0.638 0.487 0.935 0.516 CB 1.482 32 residues pruned to eliminate duplicates Z: 44 42.171 2.114 0.753 0.714 0.930 0.651 CB 1.536 44 residues pruned to eliminate duplicates Z: 60 40.825 2.126 0.785 0.572 0.915 0.593 CB 1.427 60 residues pruned to eliminate duplicates Z: 15 9.045 1.900 0.584 0.371 0.714 0.429 CB 1.290 12 residues pruned to eliminate duplicates Z: 7 5.960 1.572 0.588 0.550 0.833 0.333 CA 1.115 7 residues pruned to eliminate duplicates Z: 52 20.026 1.965 0.509 0.472 0.804 0.510 CB 1.211 52 residues pruned to eliminate duplicates Z: 17 26.161 1.876 0.824 0.852 1.000 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 25 30.744 2.126 0.691 0.855 0.917 0.708 CB 1.405 25 residues pruned to eliminate duplicates Z: 14 16.700 2.053 0.466 0.469 0.923 0.538 CB 1.719 14 residues pruned to eliminate duplicates Z: 12 6.504 1.526 0.318 0.525 0.818 0.636 CB 1.163 12 residues pruned to eliminate duplicates Z: 13 12.797 2.078 0.666 0.400 0.833 0.500 CA 1.423 13 residues pruned to eliminate duplicates Z: 11 17.741 2.073 0.398 0.858 1.000 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 47 39.916 2.077 0.784 0.614 0.935 0.674 CB 1.525 47 residues pruned to eliminate duplicates Z: 21 25.986 1.915 0.661 0.831 1.000 0.700 CA 1.372 21 residues pruned to eliminate duplicates Z: 16 27.404 1.997 1.123 0.838 0.933 0.867 CB 1.337 16 residues pruned to eliminate duplicates Z: 19 24.346 1.957 0.715 0.824 0.944 0.722 CA 1.367 19 residues pruned to eliminate duplicates Z: 17 23.996 1.947 0.761 0.806 0.875 0.750 CA 1.532 17 residues pruned to eliminate duplicates Z: 30 35.444 2.173 0.822 0.669 0.931 0.724 CB 1.528 30 residues pruned to eliminate duplicates Z: 16 32.238 2.025 1.312 0.847 0.933 0.600 CB 1.415 16 residues pruned to eliminate duplicates Z: 14 33.704 2.182 1.127 0.881 1.000 0.846 CB 1.458 14 residues pruned to eliminate duplicates Z: 90 45.108 2.101 0.634 0.568 0.921 0.640 CB 1.415 90 residues pruned to eliminate duplicates Z: 20 26.014 1.937 0.673 0.848 1.000 0.789 CA 1.365 20 residues pruned to eliminate duplicates Z: 28 28.444 2.030 0.764 0.706 0.889 0.593 CA 1.426 28 residues pruned to eliminate duplicates Z: 8 7.075 1.410 0.336 0.727 1.000 0.714 CB 1.157 8 residues pruned to eliminate duplicates Z: 16 16.608 2.088 0.645 0.660 0.800 0.467 CA 1.346 16 residues pruned to eliminate duplicates Z: 15 8.864 1.950 0.895 0.412 0.571 0.429 CA 1.230 15 residues pruned to eliminate duplicates Z: 23 24.470 2.106 0.787 0.518 0.955 0.591 CB 1.427 23 residues pruned to eliminate duplicates Z: 13 26.205 2.023 0.605 0.904 1.000 0.833 CB 1.659 13 residues pruned to eliminate duplicates Z: 17 11.413 1.845 0.579 0.454 0.812 0.500 CB 1.264 17 residues pruned to eliminate duplicates Z: 9 24.747 2.360 0.629 0.899 1.000 0.750 CB 1.626 9 residues pruned to eliminate duplicates Z: 24 21.614 2.009 0.727 0.605 0.957 0.609 CB 1.229 24 residues pruned to eliminate duplicates Z: 19 23.292 1.993 0.592 0.853 0.944 0.667 CA 1.354 19 residues pruned to eliminate duplicates Z: 105 51.288 2.101 0.731 0.573 0.885 0.587 CB 1.458 105 residues pruned to eliminate duplicates Z: 100 46.151 2.070 0.661 0.565 0.919 0.667 CB 1.378 100 residues pruned to eliminate duplicates Z: 15 20.040 2.018 0.460 0.803 1.000 0.714 CB 1.396 15 residues pruned to eliminate duplicates Z: 10 11.015 1.856 0.409 0.832 0.889 0.778 CB 1.186 10 residues pruned to eliminate duplicates Z: 16 19.117 1.938 0.379 0.857 0.867 0.667 CB 1.570 16 residues pruned to eliminate duplicates Z: 11 9.701 1.748 0.534 0.462 0.900 0.700 C 1.321 11 residues pruned to eliminate duplicates Z: 17 24.633 1.955 0.735 0.900 1.000 0.938 CA 1.297 17 residues pruned to eliminate duplicates Z: 20 21.846 1.964 0.458 0.794 1.000 0.737 CA 1.352 20 residues pruned to eliminate duplicates Z: 8 6.528 1.517 0.656 0.560 1.000 0.571 CB 0.926 8 residues pruned to eliminate duplicates Z: 6 5.409 1.347 0.488 0.842 1.000 1.000 C 0.899 6 residues pruned to eliminate duplicates Z: 38 21.141 1.951 0.654 0.423 0.892 0.595 CB 1.309 38 residues pruned to eliminate duplicates Z: 15 15.086 2.120 0.466 0.371 0.929 0.643 CB 1.603 15 residues pruned to eliminate duplicates Z: 16 18.033 2.146 0.591 0.364 0.933 0.533 CA 1.690 16 residues pruned to eliminate duplicates Z: 45 30.093 2.047 0.624 0.529 0.909 0.636 CB 1.459 45 residues pruned to eliminate duplicates Z: 47 26.556 2.089 0.605 0.503 0.870 0.543 CB 1.339 47 residues pruned to eliminate duplicates Z: 58 39.103 2.073 0.665 0.614 0.930 0.579 CB 1.449 58 residues pruned to eliminate duplicates Z: 47 37.208 2.178 0.753 0.522 0.913 0.630 CB 1.540 47 residues pruned to eliminate duplicates Z: 19 14.422 2.008 0.951 0.347 0.889 0.556 CB 1.152 19 residues pruned to eliminate duplicates Z: 14 15.330 1.857 0.380 0.790 0.923 0.692 CA 1.394 14 residues pruned to eliminate duplicates Z: 18 19.304 2.084 0.637 0.617 0.882 0.471 CA 1.392 18 residues pruned to eliminate duplicates Z: 17 13.660 2.199 0.621 0.305 0.812 0.375 CB 1.465 17 residues pruned to eliminate duplicates Z: 12 16.078 2.017 0.137 0.895 1.000 1.000 CA 1.516 12 residues pruned to eliminate duplicates Z: 9 6.912 1.906 0.752 0.364 0.750 0.750 CB 1.130 9 residues pruned to eliminate duplicates Z: 15 12.639 1.940 0.579 0.382 0.857 0.500 CB 1.459 15 residues pruned to eliminate duplicates Z: 69 38.959 2.150 0.697 0.497 0.868 0.574 CB 1.497 69 residues pruned to eliminate duplicates Z: 88 50.938 2.112 0.770 0.602 0.920 0.609 CB 1.442 88 residues pruned to eliminate duplicates Z: 9 10.148 1.874 0.465 0.615 0.875 0.750 CB 1.339 9 residues pruned to eliminate duplicates Z: 17 17.644 2.014 0.743 0.409 0.875 0.500 CB 1.580 17 residues pruned to eliminate duplicates Z: 17 25.173 1.910 0.615 0.869 1.000 0.812 CA 1.490 17 residues pruned to eliminate duplicates Z: 17 18.627 1.949 0.479 0.803 0.938 0.750 CA 1.322 17 residues pruned to eliminate duplicates Z: 11 8.852 1.816 0.617 0.526 0.800 0.700 CB 1.161 11 residues pruned to eliminate duplicates Z: 35 20.466 1.960 0.591 0.418 0.912 0.471 CB 1.345 35 residues pruned to eliminate duplicates Z: 7 8.055 1.897 0.506 0.534 0.833 0.500 CA 1.336 7 residues pruned to eliminate duplicates Z: 15 27.294 2.007 0.778 0.855 1.000 0.714 CB 1.509 15 residues pruned to eliminate duplicates Z: 13 13.758 1.886 0.598 0.757 0.833 0.583 CB 1.258 13 residues pruned to eliminate duplicates Z: 12 16.167 1.985 0.347 0.864 1.000 0.909 CB 1.336 12 residues pruned to eliminate duplicates Z: 52 47.379 2.211 0.891 0.637 0.882 0.667 CB 1.582 52 residues pruned to eliminate duplicates Z: 33 33.471 2.166 0.950 0.562 0.844 0.594 CB 1.564 33 residues pruned to eliminate duplicates Z: 12 12.247 2.051 0.347 0.440 0.909 0.455 CA 1.565 12 residues pruned to eliminate duplicates Z: 42 21.535 2.063 0.576 0.439 0.829 0.415 CB 1.328 42 residues pruned to eliminate duplicates Z: 13 20.799 1.935 0.500 0.900 1.000 0.833 CA 1.477 13 residues pruned to eliminate duplicates Z: 37 24.613 2.031 0.661 0.522 0.917 0.611 CB 1.298 37 residues pruned to eliminate duplicates Z: 6 8.709 1.758 0.395 0.779 1.000 0.400 CB 1.241 6 residues pruned to eliminate duplicates Z: 24 21.632 2.057 0.794 0.479 0.913 0.652 CB 1.368 24 residues pruned to eliminate duplicates Z: 22 19.018 1.973 0.647 0.506 0.952 0.714 CB 1.333 22 residues pruned to eliminate duplicates Z: 6 9.884 1.751 0.511 0.842 1.000 0.800 CA 1.245 6 residues pruned to eliminate duplicates Z: 33 23.487 1.932 0.595 0.572 0.938 0.562 CB 1.341 33 residues pruned to eliminate duplicates Z: 17 32.298 2.011 1.135 0.921 0.938 0.812 CB 1.412 17 residues pruned to eliminate duplicates Z: 12 9.095 1.787 0.246 0.560 0.909 0.727 CB 1.277 12 residues pruned to eliminate duplicates Z: 22 19.981 1.830 0.581 0.779 0.952 0.714 CB 1.237 22 residues pruned to eliminate duplicates Z: 7 3.088 1.397 -0.171 0.752 1.000 0.667 CA 0.869 7 residues pruned to eliminate duplicates Z: 60 35.667 2.004 0.741 0.527 0.898 0.678 CB 1.442 60 residues pruned to eliminate duplicates Z: 6 3.898 1.691 -0.286 0.744 1.000 0.800 CB 1.161 Z: 11 21.113 2.164 0.832 0.657 1.000 0.700 CB 1.455 12 residues pruned to eliminate duplicates Z: 13 19.526 1.951 0.681 0.839 0.917 0.500 CB 1.400 13 residues pruned to eliminate duplicates Z: 9 13.539 1.919 0.813 0.521 1.000 0.625 CB 1.348 9 residues pruned to eliminate duplicates Z: 26 20.561 2.081 0.477 0.503 1.000 0.720 CB 1.334 26 residues pruned to eliminate duplicates Z: 20 21.006 1.924 0.524 0.836 0.947 0.842 CA 1.299 20 residues pruned to eliminate duplicates Z: 75 37.233 2.150 0.562 0.513 0.919 0.608 CB 1.385 75 residues pruned to eliminate duplicates Z: 12 18.380 2.184 0.732 0.526 0.818 0.455 CA 1.744 13 residues pruned to eliminate duplicates Z: 9 12.538 1.886 0.427 0.856 1.000 0.750 CB 1.215 9 residues pruned to eliminate duplicates Z: 8 14.040 1.955 0.519 0.863 1.000 0.714 CB 1.311 8 residues pruned to eliminate duplicates Z: 14 11.973 1.931 0.420 0.514 1.000 0.615 CB 1.194 14 residues pruned to eliminate duplicates Z: 36 34.162 2.168 0.851 0.573 0.857 0.657 CB 1.564 36 residues pruned to eliminate duplicates Z: 16 20.828 2.037 0.635 0.824 0.933 0.733 CA 1.307 16 residues pruned to eliminate duplicates Z: 9 11.234 1.877 0.559 0.636 1.000 0.750 CB 1.195 9 residues pruned to eliminate duplicates Z: 6 4.018 1.403 0.435 0.420 0.800 0.400 CA 1.213 Z: 16 24.660 1.974 0.711 0.821 0.933 0.667 CB 1.528 16 residues pruned to eliminate duplicates Z: 20 24.089 1.976 0.635 0.818 1.000 0.579 CA 1.298 20 residues pruned to eliminate duplicates Z: 35 22.375 1.922 0.752 0.418 0.882 0.559 CB 1.406 35 residues pruned to eliminate duplicates Z: 20 19.864 2.132 0.806 0.483 0.789 0.579 CB 1.526 23 residues pruned to eliminate duplicates Z: 83 47.997 2.085 0.724 0.588 0.951 0.634 CB 1.424 83 residues pruned to eliminate duplicates Z: 21 19.886 2.039 0.835 0.438 0.900 0.600 CB 1.407 21 residues pruned to eliminate duplicates Z: 19 26.586 2.012 0.755 0.791 1.000 0.611 CB 1.375 19 residues pruned to eliminate duplicates Z: 61 35.836 2.021 0.657 0.591 0.900 0.683 CB 1.407 61 residues pruned to eliminate duplicates Z: 8 10.589 1.947 0.761 0.479 0.857 0.714 CA 1.392 8 residues pruned to eliminate duplicates Z: 30 31.860 2.096 0.782 0.564 0.897 0.586 CB 1.662 30 residues pruned to eliminate duplicates Z: 18 27.633 2.017 0.985 0.875 0.882 0.706 CB 1.380 18 residues pruned to eliminate duplicates Z: 41 28.310 2.037 0.643 0.582 0.900 0.725 CB 1.374 41 residues pruned to eliminate duplicates Z: 6 2.097 1.768 -0.291 0.442 0.800 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 107 57.041 2.175 0.750 0.582 0.896 0.594 CB 1.502 107 residues pruned to eliminate duplicates Z: 20 16.021 1.855 0.542 0.789 0.789 0.474 CA 1.263 20 residues pruned to eliminate duplicates Z: 11 10.669 1.844 0.430 0.659 0.800 0.700 CA 1.381 11 residues pruned to eliminate duplicates Z: 20 22.296 1.981 0.609 0.848 0.895 0.684 CA 1.330 20 residues pruned to eliminate duplicates Z: 35 43.299 2.096 1.124 0.701 0.912 0.471 CB 1.524 35 residues pruned to eliminate duplicates Z: 93 44.202 2.000 0.695 0.580 0.913 0.576 CB 1.379 93 residues pruned to eliminate duplicates Z: 43 27.046 2.115 0.730 0.497 0.857 0.571 CB 1.334 43 residues pruned to eliminate duplicates Z: 7 3.758 1.612 0.611 0.335 0.833 0.333 CB 0.849 7 residues pruned to eliminate duplicates Z: 38 27.941 2.021 0.727 0.552 0.865 0.622 CB 1.447 38 residues pruned to eliminate duplicates Z: 11 9.155 1.900 0.357 0.559 0.900 0.400 CB 1.179 11 residues pruned to eliminate duplicates Z: 21 33.355 2.200 1.051 0.690 0.900 0.700 CB 1.544 21 residues pruned to eliminate duplicates Z: 11 15.529 2.173 0.757 0.541 1.000 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 25 16.747 2.047 0.509 0.413 0.917 0.667 CB 1.323 25 residues pruned to eliminate duplicates Z: 7 10.730 1.934 0.672 0.587 1.000 0.833 CB 1.246 7 residues pruned to eliminate duplicates Z: 18 27.590 1.924 1.002 0.839 0.941 0.824 CA 1.379 18 residues pruned to eliminate duplicates Z: 59 46.327 2.084 0.841 0.629 0.966 0.655 CB 1.454 59 residues pruned to eliminate duplicates Z: 31 33.231 2.162 0.841 0.634 0.867 0.667 CB 1.551 31 residues pruned to eliminate duplicates Z: 14 20.793 1.975 0.621 0.886 1.000 0.615 CA 1.300 14 residues pruned to eliminate duplicates Z: 9 14.705 1.903 0.554 0.816 1.000 0.875 CB 1.337 9 residues pruned to eliminate duplicates Z: 23 17.378 1.965 0.423 0.551 0.909 0.545 CB 1.387 22 residues pruned to eliminate duplicates Z: 36 24.645 2.017 0.634 0.497 0.829 0.514 CA 1.531 34 residues pruned to eliminate duplicates Z: 20 20.281 2.217 0.499 0.424 1.000 0.474 CA 1.515 20 residues pruned to eliminate duplicates Z: 14 20.673 1.917 0.744 0.794 1.000 0.692 CB 1.325 14 residues pruned to eliminate duplicates Z: 16 15.404 2.123 0.675 0.365 0.800 0.600 CB 1.616 16 residues pruned to eliminate duplicates Z: 7 6.241 1.473 0.980 0.361 1.000 0.333 CA 1.015 Z: 20 20.090 2.138 0.580 0.456 0.947 0.474 CA 1.506 20 residues pruned to eliminate duplicates Z: 25 23.106 2.036 0.716 0.597 0.833 0.625 CB 1.477 25 residues pruned to eliminate duplicates Z: 35 26.374 1.989 0.508 0.661 0.882 0.794 CB 1.473 35 residues pruned to eliminate duplicates Z: 20 23.802 1.908 0.688 0.852 0.947 0.789 CB 1.324 20 residues pruned to eliminate duplicates Z: 17 21.507 2.123 0.648 0.518 1.000 0.625 CA 1.510 17 residues pruned to eliminate duplicates Z: 40 28.232 2.094 0.628 0.520 0.846 0.564 CB 1.537 40 residues pruned to eliminate duplicates Z: 11 16.243 1.951 0.477 0.828 1.000 0.700 CA 1.343 11 residues pruned to eliminate duplicates Z: 9 16.097 2.055 0.773 0.745 0.875 0.875 CA 1.434 9 residues pruned to eliminate duplicates Z: 19 13.446 1.907 0.710 0.360 0.833 0.444 CB 1.357 19 residues pruned to eliminate duplicates Z: 10 18.507 1.992 0.734 0.897 0.889 0.778 CB 1.438 10 residues pruned to eliminate duplicates Z: 30 24.944 2.162 0.653 0.562 0.828 0.621 CB 1.474 30 residues pruned to eliminate duplicates Z: 99 47.200 2.113 0.662 0.538 0.908 0.561 CB 1.441 99 residues pruned to eliminate duplicates Z: 6 5.891 1.549 0.518 0.772 1.000 1.000 CA 0.881 6 residues pruned to eliminate duplicates Z: 13 10.520 2.125 0.412 0.396 0.833 0.583 CB 1.357 13 residues pruned to eliminate duplicates Z: 11 11.300 1.589 0.552 0.751 1.000 0.700 CB 1.158 Z: 37 24.170 2.014 0.671 0.552 0.917 0.611 CB 1.241 37 residues pruned to eliminate duplicates Z: 17 20.449 1.840 0.491 0.849 1.000 0.562 CB 1.382 17 residues pruned to eliminate duplicates Z: 10 8.485 1.732 0.468 0.554 0.778 0.667 CA 1.357 19 residues pruned to eliminate duplicates Z: 6 6.626 1.764 0.543 0.675 1.000 1.000 CB 0.926 Z: 12 11.853 1.796 0.477 0.514 0.909 0.636 N 1.462 12 residues pruned to eliminate duplicates Z: 19 24.013 1.915 0.743 0.827 1.000 0.778 CA 1.278 19 residues pruned to eliminate duplicates Z: 9 12.609 1.883 0.390 0.887 1.000 0.875 CB 1.228 9 residues pruned to eliminate duplicates Z: 10 2.981 1.305 0.152 0.490 0.889 0.556 C 0.751 Z: 12 21.331 2.198 0.316 0.906 1.000 1.000 CA 1.580 12 residues pruned to eliminate duplicates Z: 6 4.171 1.514 0.585 0.510 0.800 0.400 N 0.962 Z: 31 27.110 2.167 0.564 0.501 0.967 0.500 CB 1.509 31 residues pruned to eliminate duplicates Z: 20 23.731 1.939 0.721 0.828 0.947 0.632 CA 1.297 20 residues pruned to eliminate duplicates Z: 16 14.547 1.977 0.570 0.492 0.867 0.600 CB 1.407 16 residues pruned to eliminate duplicates Z: 9 16.401 1.922 0.304 0.901 1.000 1.000 CA 1.650 9 residues pruned to eliminate duplicates Z: 26 21.517 2.065 0.699 0.450 0.960 0.720 CB 1.345 26 residues pruned to eliminate duplicates Z: 12 18.206 2.045 0.643 0.800 1.000 0.455 CB 1.256 12 residues pruned to eliminate duplicates Z: 12 15.771 2.034 0.676 0.669 0.818 0.727 CB 1.459 12 residues pruned to eliminate duplicates Z: 6 2.947 1.864 -0.110 0.477 0.800 0.800 CB 1.016 6 residues pruned to eliminate duplicates Z: 12 6.125 1.762 0.449 0.340 1.000 0.364 CB 0.862 Z: 14 16.592 2.119 0.590 0.480 0.923 0.846 CA 1.510 14 residues pruned to eliminate duplicates Z: 6 5.122 1.809 0.401 0.555 1.000 0.600 CB 0.857 6 residues pruned to eliminate duplicates Z: 10 8.607 1.772 0.635 0.537 0.889 0.667 CB 1.074 10 residues pruned to eliminate duplicates Z: 7 5.194 1.854 0.021 0.518 0.833 0.667 CB 1.322 19 residues pruned to eliminate duplicates Z: 14 39.801 2.125 1.381 0.908 0.923 0.538 CB 1.678 14 residues pruned to eliminate duplicates Z: 55 41.626 2.134 0.775 0.635 0.907 0.685 CB 1.452 55 residues pruned to eliminate duplicates Z: 52 32.086 2.079 0.565 0.580 0.922 0.627 CB 1.387 52 residues pruned to eliminate duplicates Z: 34 21.896 1.956 0.584 0.590 0.879 0.606 CB 1.284 34 residues pruned to eliminate duplicates Z: 10 12.171 2.094 0.675 0.794 0.778 0.333 CB 1.150 10 residues pruned to eliminate duplicates Z: 30 19.570 2.056 0.570 0.375 0.862 0.483 CA 1.492 30 residues pruned to eliminate duplicates Z: 23 34.484 2.159 1.060 0.732 0.909 0.682 CB 1.476 23 residues pruned to eliminate duplicates Z: 9 2.800 1.398 0.126 0.603 0.875 0.500 CB 0.652 7 residues pruned to eliminate duplicates Z: 16 28.495 1.960 0.829 0.859 1.000 0.800 CB 1.511 16 residues pruned to eliminate duplicates Z: 19 27.544 2.010 1.127 0.643 0.944 0.722 CB 1.406 19 residues pruned to eliminate duplicates Z: 8 4.634 1.753 0.262 0.370 0.714 0.429 CA 1.274 Z: 19 17.798 2.023 0.322 0.584 0.944 0.722 CB 1.532 19 residues pruned to eliminate duplicates Z: 17 18.602 2.138 0.626 0.699 0.812 0.500 CA 1.374 17 residues pruned to eliminate duplicates Z: 60 41.657 2.138 0.774 0.572 0.932 0.644 CB 1.431 60 residues pruned to eliminate duplicates Z: 10 7.299 2.064 0.140 0.261 0.889 0.556 CB 1.530 10 residues pruned to eliminate duplicates Z: 36 25.341 1.977 0.599 0.517 0.943 0.571 CA 1.413 36 residues pruned to eliminate duplicates Z: 14 18.316 2.159 0.739 0.508 0.923 0.538 CB 1.454 14 residues pruned to eliminate duplicates Z: 28 16.211 1.896 0.420 0.536 0.963 0.556 CB 1.161 28 residues pruned to eliminate duplicates Z: 65 36.212 2.180 0.580 0.499 0.844 0.578 CB 1.560 65 residues pruned to eliminate duplicates Z: 21 22.053 1.925 0.636 0.535 1.000 0.550 CB 1.514 21 residues pruned to eliminate duplicates Z: 6 7.103 1.650 0.156 0.807 1.000 0.600 CA 1.274 6 residues pruned to eliminate duplicates Z: 34 32.466 2.077 0.955 0.630 0.848 0.485 CB 1.452 34 residues pruned to eliminate duplicates Z: 6 17.229 2.140 0.889 0.852 1.000 0.800 CA 1.409 6 residues pruned to eliminate duplicates Z: 10 10.171 1.662 0.751 0.598 0.889 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 10 14.550 2.166 0.688 0.653 0.778 0.778 CA 1.478 10 residues pruned to eliminate duplicates Z: 15 16.944 1.979 0.799 0.420 0.929 0.643 CA 1.489 14 residues pruned to eliminate duplicates Z: 14 14.956 2.005 0.589 0.399 0.923 0.615 CA 1.568 14 residues pruned to eliminate duplicates Z: 12 4.598 1.597 0.223 0.264 0.909 0.727 CA 1.022 12 residues pruned to eliminate duplicates Z: 9 9.791 1.998 0.429 0.543 1.000 0.750 CB 1.163 9 residues pruned to eliminate duplicates Z: 11 3.438 1.604 0.295 0.310 0.700 0.300 CB 0.923 11 residues pruned to eliminate duplicates Z: 35 34.486 2.213 0.839 0.627 0.912 0.794 CB 1.414 35 residues pruned to eliminate duplicates Z: 6 4.007 1.268 0.493 0.622 1.000 0.600 CB 0.843 Z: 17 16.409 2.182 0.489 0.442 0.938 0.625 CA 1.430 17 residues pruned to eliminate duplicates Z: 50 31.989 2.116 0.744 0.574 0.796 0.571 CB 1.449 50 residues pruned to eliminate duplicates Z: 10 14.889 2.278 0.074 0.905 1.000 0.889 CB 1.444 10 residues pruned to eliminate duplicates Z: 69 37.824 1.990 0.765 0.537 0.926 0.559 CB 1.359 69 residues pruned to eliminate duplicates Z: 10 10.972 1.817 0.332 0.622 1.000 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 6 3.859 1.482 0.466 0.462 0.800 0.400 CB 1.031 Z: 11 2.863 1.237 0.186 0.330 0.800 0.500 N 0.929 Z: 9 13.010 1.859 0.194 0.902 1.000 1.000 CA 1.479 9 residues pruned to eliminate duplicates Z: 10 8.523 1.677 0.672 0.588 0.778 0.667 CB 1.197 10 residues pruned to eliminate duplicates Z: 94 45.745 2.081 0.670 0.588 0.903 0.548 CB 1.389 94 residues pruned to eliminate duplicates Z: 11 18.631 2.148 0.698 0.682 0.900 0.700 CB 1.519 11 residues pruned to eliminate duplicates Z: 11 7.902 1.551 0.729 0.424 0.900 0.500 CB 1.120 11 residues pruned to eliminate duplicates Z: 23 15.976 2.050 0.479 0.400 0.818 0.545 CB 1.525 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 17.866 1.881 0.559 0.840 1.000 0.500 CB 1.437 12 residues pruned to eliminate duplicates Z: 11 14.954 1.906 0.568 0.784 0.900 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 15 14.197 1.857 0.565 0.557 0.929 0.429 CB 1.330 15 residues pruned to eliminate duplicates Z: 14 14.746 1.938 0.423 0.658 1.000 0.615 CB 1.281 14 residues pruned to eliminate duplicates Z: 14 14.628 1.911 0.513 0.651 0.923 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 15 14.884 1.898 0.548 0.623 0.929 0.571 CB 1.298 11 residues pruned to eliminate duplicates Z: 12 16.924 1.808 0.481 0.820 1.000 0.455 CB 1.443 12 residues pruned to eliminate duplicates Z: 18 12.817 1.751 0.624 0.577 0.824 0.647 CB 1.233 16 residues pruned to eliminate duplicates Z: 11 18.198 1.968 0.482 0.837 1.000 0.600 CB 1.477 11 residues pruned to eliminate duplicates Z: 33 28.000 1.981 0.658 0.618 0.938 0.500 CB 1.437 33 residues pruned to eliminate duplicates Z: 16 12.320 2.127 0.359 0.365 0.867 0.533 CA 1.468 16 residues pruned to eliminate duplicates Z: 28 22.778 2.023 0.590 0.493 0.926 0.519 CB 1.482 35 residues pruned to eliminate duplicates Z: 7 4.792 1.599 0.598 0.384 0.833 0.333 C 1.040 7 residues pruned to eliminate duplicates Z: 15 15.723 2.167 0.554 0.342 0.929 0.429 CB 1.597 15 residues pruned to eliminate duplicates Z: 14 15.246 2.260 0.388 0.382 0.923 0.615 CB 1.655 14 residues pruned to eliminate duplicates Z: 56 33.278 2.074 0.583 0.576 0.927 0.582 CB 1.369 56 residues pruned to eliminate duplicates Z: 17 12.601 1.995 0.514 0.391 0.875 0.625 CB 1.339 17 residues pruned to eliminate duplicates Z: 23 20.313 2.249 0.309 0.473 0.909 0.591 CB 1.662 23 residues pruned to eliminate duplicates Z: 14 15.053 2.236 0.454 0.394 0.846 0.692 CB 1.697 14 residues pruned to eliminate duplicates Z: 16 8.764 2.108 0.372 0.316 0.667 0.467 CB 1.439 16 residues pruned to eliminate duplicates Z: 10 8.068 1.964 0.457 0.199 0.889 0.667 CA 1.511 10 residues pruned to eliminate duplicates Z: 10 7.875 2.132 0.308 0.234 0.778 0.556 CA 1.649 10 residues pruned to eliminate duplicates Z: 9 9.586 2.170 0.324 0.267 0.875 0.625 CB 1.757 9 residues pruned to eliminate duplicates Z: 38 32.244 2.161 0.629 0.572 0.892 0.676 CB 1.575 38 residues pruned to eliminate duplicates Z: 22 24.096 2.199 0.481 0.522 0.952 0.619 CB 1.658 22 residues pruned to eliminate duplicates Z: 23 24.540 2.297 0.513 0.477 0.909 0.591 CB 1.694 23 residues pruned to eliminate duplicates Z: 39 31.939 2.140 0.716 0.563 0.842 0.579 CB 1.577 39 residues pruned to eliminate duplicates Z: 11 15.184 2.226 0.504 0.622 0.800 0.700 CB 1.598 11 residues pruned to eliminate duplicates Z: 13 19.166 2.252 0.272 0.816 0.917 0.667 CB 1.601 13 residues pruned to eliminate duplicates Z: 13 21.416 2.256 0.434 0.759 0.917 0.667 CB 1.655 13 residues pruned to eliminate duplicates Z: 63 36.538 2.152 0.523 0.583 0.919 0.677 CB 1.422 63 residues pruned to eliminate duplicates Z: 50 31.425 2.087 0.582 0.588 0.918 0.694 CB 1.361 50 residues pruned to eliminate duplicates Z: 38 27.602 2.075 0.526 0.551 0.919 0.568 CB 1.484 38 residues pruned to eliminate duplicates Z: 15 19.291 2.166 0.587 0.576 0.857 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 34 30.509 2.030 0.936 0.601 0.818 0.667 CB 1.500 34 residues pruned to eliminate duplicates Z: 43 33.457 2.125 0.674 0.572 0.905 0.714 CB 1.496 43 residues pruned to eliminate duplicates Z: 23 23.205 1.931 0.944 0.560 0.909 0.636 CA 1.367 23 residues pruned to eliminate duplicates Z: 59 38.463 2.109 0.698 0.540 0.914 0.638 CB 1.484 59 residues pruned to eliminate duplicates Z: 30 36.579 2.221 0.806 0.686 0.897 0.724 CB 1.594 30 residues pruned to eliminate duplicates Z: 74 42.153 2.159 0.635 0.527 0.904 0.616 CB 1.505 74 residues pruned to eliminate duplicates Z: 20 26.925 2.126 0.992 0.635 0.842 0.737 CB 1.526 20 residues pruned to eliminate duplicates Z: 31 31.517 2.156 0.874 0.613 0.833 0.600 CB 1.536 31 residues pruned to eliminate duplicates Z: 20 24.739 2.081 0.992 0.590 0.842 0.737 CB 1.491 20 residues pruned to eliminate duplicates Z: 28 38.781 2.236 0.904 0.718 0.889 0.704 CB 1.620 28 residues pruned to eliminate duplicates Z: 39 29.773 2.158 0.697 0.550 0.816 0.684 CB 1.540 39 residues pruned to eliminate duplicates Z: 18 31.271 2.161 1.148 0.644 0.941 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 29 35.763 2.212 0.967 0.660 0.893 0.607 CB 1.501 29 residues pruned to eliminate duplicates Z: 37 32.430 2.185 0.779 0.561 0.861 0.639 CB 1.522 37 residues pruned to eliminate duplicates Z: 44 32.246 2.148 0.696 0.544 0.837 0.628 CB 1.543 44 residues pruned to eliminate duplicates Z: 19 23.918 2.083 1.080 0.561 0.833 0.667 CB 1.472 19 residues pruned to eliminate duplicates Z: 60 41.692 2.122 0.811 0.548 0.915 0.661 CB 1.473 60 residues pruned to eliminate duplicates Z: 68 43.462 2.153 0.737 0.513 0.910 0.522 CB 1.540 68 residues pruned to eliminate duplicates Z: 48 36.840 2.182 0.799 0.529 0.894 0.617 CB 1.489 48 residues pruned to eliminate duplicates Z: 58 36.266 2.116 0.662 0.550 0.912 0.702 CB 1.426 58 residues pruned to eliminate duplicates Z: 85 45.098 2.152 0.650 0.542 0.893 0.583 CB 1.489 86 residues pruned to eliminate duplicates Z: 12 20.823 2.123 0.607 0.802 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 31 23.967 2.122 0.570 0.493 0.933 0.667 CB 1.417 31 residues pruned to eliminate duplicates Z: 48 35.428 2.148 0.772 0.541 0.894 0.660 CB 1.460 48 residues pruned to eliminate duplicates Z: 51 34.267 2.059 0.810 0.527 0.900 0.600 CB 1.406 51 residues pruned to eliminate duplicates Z: 49 36.524 2.158 0.802 0.508 0.896 0.500 CB 1.501 49 residues pruned to eliminate duplicates Z: 50 30.884 2.061 0.719 0.508 0.898 0.571 CB 1.376 50 residues pruned to eliminate duplicates Z: 62 42.207 2.145 0.850 0.523 0.902 0.623 CB 1.477 62 residues pruned to eliminate duplicates Z: 33 23.273 2.047 0.501 0.470 0.938 0.469 CB 1.473 33 residues pruned to eliminate duplicates Z: 34 20.512 2.033 0.517 0.460 0.818 0.485 CB 1.474 34 residues pruned to eliminate duplicates Z: 61 38.976 2.166 0.727 0.550 0.850 0.617 CB 1.507 61 residues pruned to eliminate duplicates Z: 51 38.684 2.164 0.799 0.545 0.900 0.560 CB 1.495 51 residues pruned to eliminate duplicates Z: 91 48.627 2.057 0.754 0.529 0.922 0.567 CB 1.497 91 residues pruned to eliminate duplicates Z: 42 26.587 2.030 0.642 0.500 0.927 0.488 CB 1.343 42 residues pruned to eliminate duplicates Z: 84 45.617 2.140 0.613 0.549 0.904 0.602 CB 1.531 84 residues pruned to eliminate duplicates Z: 68 40.693 2.156 0.698 0.529 0.896 0.627 CB 1.474 68 residues pruned to eliminate duplicates Z: 52 37.087 2.092 0.824 0.534 0.922 0.627 CB 1.428 52 residues pruned to eliminate duplicates Z: 32 21.145 2.070 0.465 0.489 0.871 0.548 CB 1.454 32 residues pruned to eliminate duplicates Z: 86 44.509 2.097 0.651 0.564 0.871 0.635 CB 1.505 86 residues pruned to eliminate duplicates Z: 39 28.447 2.096 0.746 0.499 0.868 0.605 CB 1.455 39 residues pruned to eliminate duplicates Z: 60 40.113 2.156 0.742 0.576 0.898 0.678 CB 1.439 60 residues pruned to eliminate duplicates Z: 62 41.426 2.170 0.705 0.556 0.902 0.590 CB 1.507 62 residues pruned to eliminate duplicates Z: 50 37.280 2.155 0.769 0.531 0.898 0.653 CB 1.509 50 residues pruned to eliminate duplicates Z: 60 40.557 2.141 0.809 0.550 0.898 0.627 CB 1.445 60 residues pruned to eliminate duplicates Z: 61 44.274 2.157 0.837 0.552 0.917 0.650 CB 1.496 61 residues pruned to eliminate duplicates Z: 21 14.933 2.102 0.499 0.329 0.850 0.600 CB 1.504 21 residues pruned to eliminate duplicates Z: 58 40.491 2.159 0.727 0.571 0.877 0.632 CB 1.530 58 residues pruned to eliminate duplicates Z: 51 34.324 2.138 0.738 0.507 0.900 0.600 CB 1.441 51 residues pruned to eliminate duplicates Z: 97 48.567 2.103 0.693 0.591 0.906 0.667 CB 1.408 97 residues pruned to eliminate duplicates Z: 151 62.017 2.128 0.705 0.572 0.907 0.640 CB 1.436 151 residues pruned to eliminate duplicates Z: 54 40.850 2.115 0.722 0.642 0.906 0.679 CB 1.489 54 residues pruned to eliminate duplicates Z: 97 53.731 2.142 0.787 0.578 0.896 0.594 CB 1.484 97 residues pruned to eliminate duplicates Z: 40 37.160 2.093 0.814 0.611 0.949 0.667 CB 1.486 40 residues pruned to eliminate duplicates Z: 87 47.375 2.083 0.752 0.619 0.895 0.616 CB 1.397 87 residues pruned to eliminate duplicates Z: 54 45.355 2.071 0.722 0.669 0.962 0.660 CB 1.552 54 residues pruned to eliminate duplicates Z: 91 54.341 2.122 0.740 0.616 0.944 0.689 CB 1.472 91 residues pruned to eliminate duplicates Z: 128 52.793 2.092 0.657 0.559 0.913 0.630 CB 1.398 128 residues pruned to eliminate duplicates Z: 39 30.989 2.050 0.767 0.620 0.868 0.632 CA 1.427 39 residues pruned to eliminate duplicates Z: 91 49.763 2.133 0.668 0.593 0.911 0.611 CB 1.480 91 residues pruned to eliminate duplicates Z: 85 48.322 2.076 0.717 0.601 0.929 0.631 CB 1.446 85 residues pruned to eliminate duplicates Z: 35 36.288 2.147 0.793 0.675 0.912 0.676 CB 1.508 35 residues pruned to eliminate duplicates Z: 90 51.366 2.103 0.732 0.598 0.944 0.629 CB 1.442 90 residues pruned to eliminate duplicates Z: 37 33.605 2.108 0.764 0.651 0.889 0.556 CA 1.472 37 residues pruned to eliminate duplicates Z: 107 49.691 2.065 0.763 0.535 0.906 0.575 CB 1.414 107 residues pruned to eliminate duplicates Z: 52 33.422 2.042 0.802 0.552 0.902 0.490 CB 1.340 52 residues pruned to eliminate duplicates Z: 41 33.254 2.065 0.717 0.610 0.925 0.525 CB 1.444 41 residues pruned to eliminate duplicates Z: 36 34.485 2.083 0.943 0.618 0.886 0.629 CA 1.455 36 residues pruned to eliminate duplicates Z: 65 38.222 2.051 0.758 0.590 0.891 0.578 CB 1.364 65 residues pruned to eliminate duplicates Z: 37 37.704 2.065 0.836 0.651 0.972 0.556 CA 1.481 37 residues pruned to eliminate duplicates Z: 37 34.705 2.123 0.801 0.624 0.917 0.556 CA 1.469 37 residues pruned to eliminate duplicates Z: 100 46.793 2.109 0.686 0.552 0.909 0.626 CB 1.383 100 residues pruned to eliminate duplicates Z: 87 45.378 2.097 0.792 0.544 0.872 0.570 CB 1.430 87 residues pruned to eliminate duplicates Z: 78 47.190 2.100 0.749 0.617 0.922 0.675 CB 1.421 78 residues pruned to eliminate duplicates Z: 38 35.601 2.104 0.856 0.619 0.892 0.622 CA 1.502 38 residues pruned to eliminate duplicates Z: 94 44.933 2.049 0.636 0.566 0.925 0.581 CB 1.410 94 residues pruned to eliminate duplicates Z: 54 43.204 2.081 0.746 0.664 0.925 0.717 CA 1.517 54 residues pruned to eliminate duplicates Z: 56 40.356 2.101 0.696 0.628 0.891 0.618 CB 1.521 56 residues pruned to eliminate duplicates Z: 33 28.188 1.940 0.743 0.634 0.969 0.656 CA 1.342 33 residues pruned to eliminate duplicates Z: 37 35.795 2.124 0.781 0.644 0.944 0.611 CA 1.460 37 residues pruned to eliminate duplicates Z: 90 47.732 2.101 0.673 0.577 0.933 0.618 CB 1.433 90 residues pruned to eliminate duplicates Z: 87 49.734 2.109 0.728 0.594 0.942 0.651 CB 1.428 87 residues pruned to eliminate duplicates Z: 88 50.998 2.131 0.697 0.599 0.954 0.621 CB 1.442 88 residues pruned to eliminate duplicates Z: 85 45.543 2.052 0.692 0.589 0.929 0.619 CB 1.415 85 residues pruned to eliminate duplicates Z: 106 46.681 2.112 0.621 0.533 0.924 0.629 CB 1.394 106 residues pruned to eliminate duplicates Z: 57 43.267 2.075 0.788 0.617 0.929 0.661 CB 1.503 57 residues pruned to eliminate duplicates Z: 103 49.676 2.100 0.725 0.563 0.892 0.598 CB 1.432 103 residues pruned to eliminate duplicates Z: 57 40.705 2.076 0.703 0.582 0.982 0.554 CB 1.448 57 residues pruned to eliminate duplicates Z: 91 48.577 2.097 0.754 0.599 0.922 0.633 CB 1.373 91 residues pruned to eliminate duplicates Z: 21 21.646 2.055 0.654 0.582 0.900 0.700 CB 1.462 21 residues pruned to eliminate duplicates Z: 79 48.630 2.082 0.747 0.614 0.923 0.654 CB 1.473 79 residues pruned to eliminate duplicates Z: 55 42.619 2.093 0.783 0.595 0.944 0.630 CB 1.503 55 residues pruned to eliminate duplicates Z: 74 49.497 2.087 0.780 0.618 0.945 0.658 CB 1.475 74 residues pruned to eliminate duplicates Z: 105 49.475 2.103 0.733 0.533 0.933 0.596 CB 1.383 105 residues pruned to eliminate duplicates Z: 54 43.119 2.130 0.821 0.611 0.943 0.623 CB 1.457 54 residues pruned to eliminate duplicates Z: 57 40.753 2.067 0.706 0.616 0.946 0.643 CB 1.462 57 residues pruned to eliminate duplicates Z: 82 47.700 2.085 0.714 0.600 0.938 0.716 CB 1.437 82 residues pruned to eliminate duplicates Z: 57 43.495 2.100 0.781 0.607 0.964 0.679 CB 1.456 57 residues pruned to eliminate duplicates Z: 53 42.007 2.123 0.756 0.628 0.942 0.692 CB 1.470 53 residues pruned to eliminate duplicates Z: 9 18.506 2.175 0.687 0.636 1.000 0.625 C 1.570 9 residues pruned to eliminate duplicates Z: 103 55.844 2.125 0.779 0.562 0.931 0.657 CB 1.478 103 residues pruned to eliminate duplicates Z: 88 50.918 2.136 0.751 0.586 0.920 0.586 CB 1.461 88 residues pruned to eliminate duplicates Z: 90 47.479 2.116 0.659 0.585 0.910 0.629 CB 1.451 90 residues pruned to eliminate duplicates Z: 43 31.397 2.138 0.605 0.557 0.905 0.643 CB 1.476 43 residues pruned to eliminate duplicates Z: 85 42.262 2.138 0.643 0.492 0.881 0.536 CB 1.502 85 residues pruned to eliminate duplicates Z: 33 24.227 2.015 0.563 0.548 0.938 0.594 CB 1.384 33 residues pruned to eliminate duplicates Z: 46 27.168 2.146 0.625 0.502 0.867 0.533 CB 1.337 46 residues pruned to eliminate duplicates Z: 39 27.070 2.065 0.701 0.536 0.921 0.658 CB 1.310 39 residues pruned to eliminate duplicates Z: 50 24.459 2.051 0.608 0.459 0.878 0.531 CB 1.258 50 residues pruned to eliminate duplicates Z: 96 48.748 2.104 0.714 0.561 0.916 0.589 CB 1.427 96 residues pruned to eliminate duplicates Z: 31 24.601 1.987 0.797 0.545 0.900 0.533 CB 1.337 31 residues pruned to eliminate duplicates Z: 105 48.351 2.117 0.692 0.525 0.913 0.567 CB 1.415 105 residues pruned to eliminate duplicates Z: 26 24.570 2.074 0.646 0.641 0.960 0.680 CB 1.314 26 residues pruned to eliminate duplicates Z: 37 24.460 2.084 0.580 0.559 0.944 0.611 CB 1.238 37 residues pruned to eliminate duplicates Z: 45 27.356 2.140 0.601 0.497 0.909 0.591 CB 1.328 45 residues pruned to eliminate duplicates Z: 88 49.024 2.129 0.723 0.585 0.931 0.644 CB 1.418 88 residues pruned to eliminate duplicates Z: 90 47.553 2.145 0.673 0.557 0.933 0.607 CB 1.425 90 residues pruned to eliminate duplicates Z: 45 26.939 2.060 0.609 0.469 0.909 0.545 CB 1.391 45 residues pruned to eliminate duplicates Z: 78 47.917 2.106 0.703 0.605 0.948 0.675 CB 1.452 78 residues pruned to eliminate duplicates Z: 49 26.778 2.081 0.533 0.463 0.938 0.458 CB 1.342 49 residues pruned to eliminate duplicates Z: 89 48.007 2.106 0.656 0.594 0.932 0.636 CB 1.440 89 residues pruned to eliminate duplicates Z: 95 47.194 2.085 0.647 0.552 0.936 0.628 CB 1.439 95 residues pruned to eliminate duplicates Z: 80 50.897 2.117 0.720 0.598 0.962 0.671 CB 1.488 80 residues pruned to eliminate duplicates Z: 92 49.140 2.093 0.673 0.599 0.945 0.626 CB 1.416 92 residues pruned to eliminate duplicates Z: 38 26.522 2.077 0.569 0.538 0.946 0.649 CB 1.363 38 residues pruned to eliminate duplicates Z: 92 49.291 2.114 0.718 0.553 0.934 0.637 CB 1.447 92 residues pruned to eliminate duplicates Z: 98 46.020 2.098 0.683 0.560 0.907 0.680 CB 1.376 98 residues pruned to eliminate duplicates Z: 138 62.912 2.140 0.781 0.560 0.927 0.635 CB 1.436 138 residues pruned to eliminate duplicates Z: 92 51.357 2.131 0.716 0.572 0.945 0.670 CB 1.453 92 residues pruned to eliminate duplicates Z: 39 26.726 2.046 0.664 0.529 0.947 0.605 CB 1.307 39 residues pruned to eliminate duplicates Z: 46 30.569 2.076 0.660 0.518 0.956 0.644 CB 1.359 46 residues pruned to eliminate duplicates Z: 11 4.782 1.900 0.358 0.292 0.700 0.400 CB 1.057 11 residues pruned to eliminate duplicates Z: 8 5.444 1.741 0.493 0.193 0.857 0.429 CB 1.331 8 residues pruned to eliminate duplicates Z: 14 7.059 1.836 0.249 0.375 0.846 0.615 CB 1.153 14 residues pruned to eliminate duplicates Z: 14 6.546 1.830 0.475 0.361 0.769 0.615 CB 1.015 14 residues pruned to eliminate duplicates Z: 8 4.896 1.898 0.822 0.202 0.714 0.286 CB 1.067 8 residues pruned to eliminate duplicates Z: 14 7.010 1.813 0.633 0.376 0.846 0.538 CB 0.886 14 residues pruned to eliminate duplicates Z: 21 11.029 2.053 0.516 0.324 0.800 0.250 CB 1.203 21 residues pruned to eliminate duplicates Z: 13 8.656 1.935 0.819 0.293 0.750 0.250 CB 1.194 13 residues pruned to eliminate duplicates Z: 51 28.451 2.100 0.600 0.501 0.900 0.600 CB 1.329 51 residues pruned to eliminate duplicates Z: 8 6.323 1.807 0.552 0.536 0.857 0.429 CB 0.960 8 residues pruned to eliminate duplicates Z: 14 9.226 2.063 0.646 0.281 0.769 0.308 CB 1.254 14 residues pruned to eliminate duplicates Z: 50 23.996 2.066 0.547 0.485 0.878 0.531 CB 1.240 50 residues pruned to eliminate duplicates Z: 32 26.128 2.181 0.701 0.536 0.839 0.484 CB 1.456 32 residues pruned to eliminate duplicates Z: 12 3.058 2.033 0.531 0.178 0.545 0.273 CB 0.801 12 residues pruned to eliminate duplicates Z: 10 5.766 1.710 0.596 0.314 0.778 0.222 C 1.112 10 residues pruned to eliminate duplicates Z: 15 9.878 2.143 0.721 0.234 0.786 0.357 CB 1.240 15 residues pruned to eliminate duplicates Z: 79 45.547 2.183 0.760 0.494 0.897 0.526 CB 1.505 79 residues pruned to eliminate duplicates Z: 34 29.680 2.148 0.766 0.555 0.879 0.455 CB 1.469 34 residues pruned to eliminate duplicates Z: 44 43.544 2.217 0.858 0.660 0.884 0.651 CB 1.573 44 residues pruned to eliminate duplicates Z: 13 14.799 1.996 0.792 0.423 0.917 0.500 CB 1.412 13 residues pruned to eliminate duplicates Z: 132 57.248 2.182 0.674 0.531 0.901 0.580 CB 1.474 132 residues pruned to eliminate duplicates Z: 6 5.224 1.611 0.409 0.419 1.000 0.600 CA 1.120 6 residues pruned to eliminate duplicates Z: 65 49.708 2.195 0.820 0.560 0.922 0.562 CB 1.591 64 residues pruned to eliminate duplicates Z: 18 20.287 1.922 0.451 0.748 1.000 0.706 CA 1.413 18 residues pruned to eliminate duplicates Z: 47 41.536 2.147 0.933 0.581 0.891 0.413 CB 1.532 47 residues pruned to eliminate duplicates Z: 19 28.701 2.135 0.895 0.662 0.889 0.500 CB 1.619 19 residues pruned to eliminate duplicates Z: 19 31.285 2.089 0.839 0.680 1.000 0.500 CB 1.626 19 residues pruned to eliminate duplicates Z: 57 44.621 2.233 0.893 0.578 0.875 0.571 CB 1.496 57 residues pruned to eliminate duplicates Z: 65 51.532 2.234 0.827 0.551 0.922 0.578 CB 1.628 66 residues pruned to eliminate duplicates Z: 13 15.368 1.988 0.532 0.803 0.750 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 23 25.735 2.044 0.785 0.646 0.909 0.500 CB 1.443 23 residues pruned to eliminate duplicates Z: 53 42.921 2.199 1.018 0.560 0.865 0.462 CB 1.462 53 residues pruned to eliminate duplicates Z: 65 42.546 2.182 0.797 0.550 0.844 0.516 CB 1.532 65 residues pruned to eliminate duplicates Z: 43 44.493 2.235 0.989 0.652 0.857 0.571 CB 1.564 43 residues pruned to eliminate duplicates Z: 96 61.790 2.133 0.953 0.619 0.895 0.589 CB 1.519 96 residues pruned to eliminate duplicates Z: 47 43.121 2.116 0.914 0.613 0.935 0.500 CB 1.509 47 residues pruned to eliminate duplicates Z: 45 44.023 2.157 0.949 0.635 0.886 0.455 CB 1.569 45 residues pruned to eliminate duplicates Z: 67 49.226 2.192 0.880 0.534 0.909 0.515 CB 1.564 67 residues pruned to eliminate duplicates Z: 65 50.567 2.226 0.858 0.551 0.906 0.531 CB 1.605 65 residues pruned to eliminate duplicates Z: 24 31.608 2.298 1.079 0.576 0.826 0.522 CB 1.552 24 residues pruned to eliminate duplicates Z: 64 47.546 2.161 0.958 0.563 0.889 0.667 CB 1.498 104 residues pruned to eliminate duplicates Z: 113 54.598 2.160 0.786 0.527 0.893 0.491 CB 1.459 113 residues pruned to eliminate duplicates Z: 46 39.765 2.233 0.861 0.511 0.867 0.600 CB 1.629 46 residues pruned to eliminate duplicates Z: 45 35.330 2.229 0.748 0.481 0.864 0.455 CB 1.615 45 residues pruned to eliminate duplicates Z: 47 42.529 2.171 0.892 0.529 0.935 0.478 CB 1.587 47 residues pruned to eliminate duplicates Z: 26 33.966 2.125 1.184 0.553 0.840 0.520 CB 1.654 26 residues pruned to eliminate duplicates Z: 27 32.424 2.203 1.008 0.536 0.923 0.462 CB 1.503 27 residues pruned to eliminate duplicates Z: 47 39.441 2.217 0.913 0.484 0.870 0.457 CB 1.602 47 residues pruned to eliminate duplicates Z: 47 40.445 2.158 0.933 0.603 0.870 0.500 CB 1.491 47 residues pruned to eliminate duplicates Z: 52 40.956 2.171 0.900 0.545 0.863 0.451 CB 1.541 52 residues pruned to eliminate duplicates Z: 45 39.933 2.257 0.838 0.472 0.932 0.500 CB 1.603 45 residues pruned to eliminate duplicates Z: 15 35.574 2.124 1.061 0.837 1.000 0.429 CB 1.624 15 residues pruned to eliminate duplicates Z: 42 47.734 2.233 1.000 0.683 0.902 0.585 CB 1.564 42 residues pruned to eliminate duplicates Z: 66 48.134 2.207 0.855 0.538 0.877 0.538 CB 1.602 66 residues pruned to eliminate duplicates Z: 45 42.135 2.263 0.891 0.519 0.909 0.568 CB 1.603 45 residues pruned to eliminate duplicates Z: 67 45.699 2.149 0.862 0.548 0.879 0.515 CB 1.526 67 residues pruned to eliminate duplicates Z: 64 45.640 2.175 0.853 0.520 0.905 0.444 CB 1.545 64 residues pruned to eliminate duplicates Z: 29 29.047 2.199 0.870 0.547 0.821 0.571 CB 1.552 29 residues pruned to eliminate duplicates Z: 46 38.996 2.230 0.832 0.505 0.889 0.556 CB 1.592 45 residues pruned to eliminate duplicates Z: 6 2.260 1.581 0.252 0.393 0.800 0.600 C 0.715 6 residues pruned to eliminate duplicates Z: 20 20.637 2.146 0.660 0.439 0.947 0.526 CA 1.493 20 residues pruned to eliminate duplicates Z: 68 49.741 2.174 0.880 0.560 0.925 0.478 CB 1.515 68 residues pruned to eliminate duplicates Z: 7 6.365 1.732 0.651 0.460 0.833 0.833 CB 1.136 7 residues pruned to eliminate duplicates Z: 22 21.662 2.149 0.617 0.405 0.952 0.571 CA 1.578 22 residues pruned to eliminate duplicates Z: 45 39.761 2.234 0.870 0.503 0.886 0.523 CB 1.615 45 residues pruned to eliminate duplicates Z: 45 39.259 2.243 0.793 0.535 0.864 0.591 CB 1.647 45 residues pruned to eliminate duplicates Z: 21 25.420 2.231 0.647 0.456 1.000 0.600 CA 1.619 22 residues pruned to eliminate duplicates Z: 6 10.476 2.220 0.483 0.716 0.800 0.200 CA 1.463 6 residues pruned to eliminate duplicates Z: 20 20.298 2.169 0.633 0.415 0.947 0.421 CA 1.517 20 residues pruned to eliminate duplicates Z: 24 19.262 2.067 0.472 0.381 0.957 0.478 CA 1.566 24 residues pruned to eliminate duplicates Z: 21 19.445 2.216 0.658 0.360 0.900 0.550 CA 1.529 21 residues pruned to eliminate duplicates Z: 23 24.984 2.093 0.606 0.492 1.000 0.500 CB 1.597 23 residues pruned to eliminate duplicates Z: 7 6.971 1.735 0.703 0.528 1.000 0.500 CB 0.937 7 residues pruned to eliminate duplicates Z: 21 22.103 2.216 0.522 0.446 1.000 0.500 CA 1.549 21 residues pruned to eliminate duplicates Z: 20 18.712 2.186 0.392 0.457 0.895 0.474 CA 1.648 20 residues pruned to eliminate duplicates Z: 41 27.240 2.090 0.428 0.509 0.925 0.500 CA 1.546 47 residues pruned to eliminate duplicates Z: 8 4.379 1.582 0.339 0.372 0.857 0.571 CA 1.045 8 residues pruned to eliminate duplicates Z: 19 27.348 2.196 0.681 0.640 0.944 0.611 CA 1.622 19 residues pruned to eliminate duplicates Z: 32 26.997 2.116 0.642 0.543 0.903 0.613 CB 1.481 32 residues pruned to eliminate duplicates Z: 20 22.578 2.192 0.595 0.605 0.895 0.474 CA 1.498 20 residues pruned to eliminate duplicates Z: 20 23.794 2.196 0.545 0.634 0.895 0.579 CA 1.585 20 residues pruned to eliminate duplicates Z: 21 22.885 2.134 0.635 0.608 0.850 0.550 CB 1.557 21 residues pruned to eliminate duplicates Z: 20 25.123 2.143 0.626 0.618 0.947 0.579 CB 1.561 20 residues pruned to eliminate duplicates Z: 21 23.247 2.093 0.698 0.574 0.900 0.550 CA 1.513 21 residues pruned to eliminate duplicates Z: 19 27.211 2.214 0.673 0.641 0.944 0.556 CB 1.606 19 residues pruned to eliminate duplicates Z: 32 27.906 2.128 0.575 0.562 0.935 0.645 CB 1.505 32 residues pruned to eliminate duplicates Z: 19 25.034 2.198 0.535 0.643 0.944 0.611 CB 1.620 19 residues pruned to eliminate duplicates Z: 23 21.320 2.028 0.608 0.568 0.864 0.636 CA 1.511 23 residues pruned to eliminate duplicates Z: 13 23.318 2.128 0.714 0.783 0.917 0.833 CB 1.568 13 residues pruned to eliminate duplicates Z: 21 20.061 2.125 0.505 0.599 0.850 0.650 CA 1.501 21 residues pruned to eliminate duplicates Z: 32 21.871 1.979 0.617 0.558 0.871 0.548 CB 1.332 32 residues pruned to eliminate duplicates Z: 20 22.857 2.183 0.652 0.610 0.842 0.632 CA 1.556 20 residues pruned to eliminate duplicates Z: 20 20.071 2.022 0.509 0.628 0.947 0.737 CB 1.412 20 residues pruned to eliminate duplicates Z: 19 21.698 2.124 0.556 0.587 0.889 0.667 CB 1.600 19 residues pruned to eliminate duplicates Z: 30 28.683 2.203 0.589 0.568 0.931 0.655 CB 1.530 30 residues pruned to eliminate duplicates Z: 32 26.917 2.151 0.604 0.553 0.903 0.548 CB 1.474 32 residues pruned to eliminate duplicates Z: 7 6.935 1.553 1.202 0.412 1.000 0.833 CA 0.907 7 residues pruned to eliminate duplicates Z: 14 18.013 1.975 0.714 0.570 1.000 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 11 15.216 2.042 0.985 0.551 0.800 0.700 CB 1.413 11 residues pruned to eliminate duplicates Z: 31 27.859 2.126 0.780 0.545 0.867 0.567 CB 1.483 31 residues pruned to eliminate duplicates Z: 84 53.066 2.164 0.809 0.533 0.916 0.614 CB 1.573 84 residues pruned to eliminate duplicates Z: 32 27.547 2.100 0.687 0.561 0.903 0.613 CB 1.457 32 residues pruned to eliminate duplicates Z: 11 15.843 2.018 1.110 0.526 0.900 0.800 CB 1.274 11 residues pruned to eliminate duplicates Z: 9 9.489 1.847 0.351 0.422 1.000 0.500 CB 1.458 Z: 7 5.074 1.691 0.161 0.441 1.000 0.333 CB 1.121 6 residues pruned to eliminate duplicates Z: 6 3.735 1.415 0.213 0.336 1.000 0.200 CA 1.164 6 residues pruned to eliminate duplicates Z: 38 19.975 1.991 0.535 0.437 0.919 0.595 CB 1.249 11 residues pruned to eliminate duplicates Z: 6 6.799 1.706 0.498 0.371 1.000 0.800 CA 1.365 6 residues pruned to eliminate duplicates Z: 18 18.026 2.145 0.668 0.356 0.882 0.647 CA 1.617 18 residues pruned to eliminate duplicates Z: 12 10.143 1.901 0.817 0.357 1.000 0.636 CB 1.032 12 residues pruned to eliminate duplicates Z: 27 20.298 2.041 0.583 0.431 1.000 0.731 CB 1.325 27 residues pruned to eliminate duplicates Z: 6 13.192 2.279 0.376 0.676 1.000 1.000 CA 1.599 6 residues pruned to eliminate duplicates Z: 26 19.475 2.088 0.593 0.449 1.000 0.720 CB 1.235 26 residues pruned to eliminate duplicates Z: 25 18.100 2.005 0.556 0.384 0.917 0.625 CA 1.460 25 residues pruned to eliminate duplicates Z: 27 19.024 2.020 0.548 0.458 0.923 0.615 CB 1.350 26 residues pruned to eliminate duplicates Z: 7 10.214 2.053 0.563 0.560 0.833 0.833 CB 1.471 7 residues pruned to eliminate duplicates Z: 11 12.399 2.086 0.646 0.378 0.800 0.600 CB 1.627 11 residues pruned to eliminate duplicates Z: 26 19.164 2.102 0.537 0.480 0.960 0.680 CB 1.261 26 residues pruned to eliminate duplicates Z: 25 21.846 2.060 0.810 0.468 0.917 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 28 21.747 2.062 0.703 0.468 0.926 0.667 CB 1.330 28 residues pruned to eliminate duplicates Z: 28 22.645 2.045 0.771 0.481 0.926 0.704 CB 1.325 28 residues pruned to eliminate duplicates Z: 38 21.524 1.996 0.611 0.452 0.919 0.622 CB 1.259 38 residues pruned to eliminate duplicates Z: 27 19.446 2.101 0.611 0.446 0.923 0.692 CB 1.290 27 residues pruned to eliminate duplicates Z: 6 11.259 2.103 0.918 0.521 1.000 0.800 CB 1.223 6 residues pruned to eliminate duplicates Z: 6 4.060 1.593 0.308 0.417 1.000 0.600 CA 0.950 6 residues pruned to eliminate duplicates Z: 16 15.866 2.188 0.757 0.318 0.800 0.533 CB 1.629 16 residues pruned to eliminate duplicates Z: 14 9.539 2.004 0.484 0.361 0.769 0.462 CA 1.342 14 residues pruned to eliminate duplicates Z: 12 15.919 2.228 0.589 0.445 0.909 0.727 CA 1.577 12 residues pruned to eliminate duplicates Z: 13 16.376 2.099 0.549 0.472 1.000 0.583 CA 1.496 13 residues pruned to eliminate duplicates Z: 22 25.328 2.182 0.733 0.407 1.000 0.429 CB 1.611 24 residues pruned to eliminate duplicates Z: 6 2.688 1.381 1.099 0.104 0.600 0.400 C 1.144 Z: 23 23.877 2.131 0.841 0.448 0.909 0.500 CB 1.504 23 residues pruned to eliminate duplicates Z: 15 19.830 2.238 0.904 0.364 0.857 0.643 CA 1.679 21 residues pruned to eliminate duplicates Z: 6 3.899 1.690 0.877 0.481 0.800 0.000 CB 0.700 6 residues pruned to eliminate duplicates Z: 22 23.309 2.203 0.872 0.416 0.857 0.524 CB 1.571 22 residues pruned to eliminate duplicates Z: 7 10.369 1.763 0.904 0.532 1.000 0.500 CA 1.222 7 residues pruned to eliminate duplicates Z: 6 10.069 1.825 1.097 0.437 1.000 0.400 CA 1.256 6 residues pruned to eliminate duplicates Z: 12 10.080 2.051 0.754 0.462 0.818 0.273 CB 1.074 12 residues pruned to eliminate duplicates 337 residues left after pruning, divided into chains as follows: A: 277 B: 38 C: 22 CC for partial structure against native data = 40.97 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.345, Connect. = 0.705 for dens.mod. cycle 1 = 0.301, Contrast = 0.393, Connect. = 0.727 for dens.mod. cycle 2 = 0.301, Contrast = 0.471, Connect. = 0.759 for dens.mod. cycle 3 = 0.301, Contrast = 0.475, Connect. = 0.759 for dens.mod. cycle 4 = 0.301, Contrast = 0.483, Connect. = 0.761 for dens.mod. cycle 5 = 0.301, Contrast = 0.488, Connect. = 0.762 for dens.mod. cycle 6 = 0.301, Contrast = 0.494, Connect. = 0.764 for dens.mod. cycle 7 = 0.301, Contrast = 0.498, Connect. = 0.765 for dens.mod. cycle 8 = 0.301, Contrast = 0.502, Connect. = 0.766 for dens.mod. cycle 9 = 0.301, Contrast = 0.505, Connect. = 0.766 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.76 - 2.97 - 2.59 - 2.35 - 2.18 - 2.05 - 1.94 - 1.86 - 1.78 - 1.71 0.674 0.658 0.651 0.661 0.678 0.693 0.687 0.642 0.572 0.528 0.857 0.836 0.831 0.837 0.844 0.865 0.862 0.820 0.738 0.691 N 3829 3837 3822 3864 3851 3860 4109 3571 3926 3612 Estimated mean FOM = 0.645 Pseudo-free CC = 66.75 % Best trace (cycle 4 with CC 40.97%) was saved as ./1vlo-1.7-parrot-hancs/1vlo-1.7-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 5.3 - FFTs and peak-searches 14.0 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 1565.7 - Tripeptide search 10071.8 - Chain tracing 0.0 - NCS analysis 24.0 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 18:51:22 Total time: 11681.80 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 195.7 Used memory is bytes: 23150320