null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:47:53 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: ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.ins Phases from ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.phi Native data from ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.hkl Listing output to ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.lst Phases output to ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.phs Poly-Ala trace output to ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.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 44794 Reflections read from file ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.phi 44794 Reflections read from file ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.hkl 44794 Unique data, highest resolution = 2.320 Angstroms Anisotropic scaling: intensities multiplied by 0.000146h^2 +0.000070k^2 -0.000096l^2 +0.000000kl +0.000000hl +0.000000hk 128 Reflections with d > 2.520 and 0 in range 2.520 > d > 2.320 added Density sharpening factor set to 0.27 Fourier grid = 128 x 256 x 39 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.650 ** -f missing ?? ** = 0.300, Contrast = 0.470, Connect. = 0.727 for dens.mod. cycle 1 = 0.300, Contrast = 0.523, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.616, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.638, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.652, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.662, Connect. = 0.769 for dens.mod. cycle 6 = 0.300, Contrast = 0.668, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.673, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.677, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.679, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3055 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 772 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 6 5.643 1.577 0.592 0.760 0.800 0.400 CA 0.997 B: 12 14.296 1.916 0.545 0.693 0.818 0.636 CB 1.492 C: 18 19.359 1.798 0.576 0.912 1.000 0.941 CB 1.173 D: 15 16.924 1.821 0.595 0.924 1.000 0.929 CB 1.093 E: 54 26.299 1.844 0.493 0.581 0.981 0.698 CB 1.237 F: 15 24.254 1.775 0.908 0.913 1.000 0.929 CB 1.355 G: 6 7.377 1.629 0.174 0.727 1.000 0.600 N 1.406 H: 22 15.998 1.835 0.859 0.415 0.952 0.476 CB 1.175 I: 47 22.772 1.959 0.783 0.323 0.870 0.609 CB 1.344 12 residues pruned to eliminate duplicates J: 6 7.152 1.548 0.908 0.397 1.000 0.400 CB 1.207 K: 12 15.341 1.707 0.780 0.610 1.000 0.636 N 1.371 L: 20 26.063 1.868 0.956 0.882 1.000 0.737 CB 1.184 20 residues pruned to eliminate duplicates M: 49 23.603 1.651 0.729 0.646 0.917 0.625 CB 1.136 12 residues pruned to eliminate duplicates N: 27 18.997 1.826 0.879 0.456 0.846 0.423 CB 1.342 O: 20 20.628 1.873 0.928 0.598 0.842 0.684 CB 1.417 P: 15 16.363 1.832 0.820 0.889 0.929 0.786 CB 1.017 15 residues pruned to eliminate duplicates Q: 15 18.384 1.873 0.905 0.896 0.857 0.714 CB 1.151 15 residues pruned to eliminate duplicates R: 23 11.182 1.783 0.478 0.414 0.864 0.727 CB 1.146 S: 44 25.167 1.820 0.608 0.569 0.977 0.674 CB 1.255 46 residues pruned to eliminate duplicates T: 17 22.086 1.863 0.682 0.863 1.000 0.750 CB 1.293 U: 37 26.827 1.773 0.856 0.719 0.917 0.639 CB 1.215 16 residues pruned to eliminate duplicates V: 18 11.627 1.729 0.317 0.874 0.941 0.765 CB 0.957 18 residues pruned to eliminate duplicates W: 18 14.487 1.762 0.714 0.642 0.941 0.647 CB 1.082 12 residues pruned to eliminate duplicates X: 12 11.122 1.718 0.498 0.901 0.909 0.636 CB 1.023 11 residues pruned to eliminate duplicates Y: 6 3.485 1.593 0.400 0.487 0.600 0.600 O 1.180 6 residues pruned to eliminate duplicates Z: 16 15.548 1.730 0.697 0.608 0.933 0.400 CB 1.322 Z: 14 20.338 1.932 0.620 0.883 1.000 0.692 CB 1.303 Z: 17 22.685 1.807 1.007 0.887 1.000 0.750 CB 1.127 18 residues pruned to eliminate duplicates Z: 6 3.235 1.784 0.024 0.488 0.800 0.400 CB 1.002 Z: 15 20.171 1.920 0.665 0.855 1.000 0.929 CB 1.244 14 residues pruned to eliminate duplicates Z: 7 4.596 1.479 0.966 0.348 0.667 0.500 CA 1.142 Z: 6 7.458 1.705 0.288 0.729 1.000 0.400 N 1.236 Z: 18 23.173 1.836 0.876 0.880 0.941 0.706 CB 1.256 4 residues pruned to eliminate duplicates Z: 18 15.352 1.817 0.594 0.835 1.000 0.706 CB 0.963 Z: 20 27.182 1.860 0.928 0.839 1.000 0.737 CB 1.299 20 residues pruned to eliminate duplicates Z: 6 11.209 1.827 0.466 0.730 1.000 0.400 N 1.522 Z: 14 13.652 1.703 0.589 0.859 1.000 0.769 CB 1.029 14 residues pruned to eliminate duplicates Z: 17 16.564 1.780 0.414 0.850 0.938 0.750 CB 1.300 17 residues pruned to eliminate duplicates Z: 23 19.226 1.697 0.889 0.592 0.955 0.591 CB 1.226 Z: 17 18.881 1.822 0.844 0.694 0.938 0.625 CB 1.255 18 residues pruned to eliminate duplicates Z: 18 15.628 1.811 0.668 0.643 0.941 0.647 CB 1.167 18 residues pruned to eliminate duplicates Z: 11 3.991 1.670 0.067 0.276 0.800 0.400 CB 1.141 Z: 6 7.635 1.668 0.720 0.681 0.800 0.800 CA 1.261 6 residues pruned to eliminate duplicates Z: 15 12.999 1.772 0.263 0.547 1.000 0.429 CB 1.482 15 residues pruned to eliminate duplicates Z: 7 7.118 1.757 0.553 0.486 0.833 0.500 CB 1.295 7 residues pruned to eliminate duplicates Z: 7 5.042 1.714 0.273 0.439 0.833 0.667 CB 1.205 Z: 11 15.117 1.742 0.533 0.895 1.000 0.800 CB 1.283 Z: 18 18.467 1.833 0.535 0.865 0.941 0.824 CB 1.239 18 residues pruned to eliminate duplicates Z: 7 3.098 1.543 0.414 0.401 0.667 0.333 N 0.965 Z: 6 6.924 1.658 0.750 0.584 0.800 0.600 N 1.230 7 residues pruned to eliminate duplicates Z: 19 23.405 1.871 0.772 0.888 0.944 0.500 CB 1.269 19 residues pruned to eliminate duplicates Z: 12 8.989 1.648 1.351 0.377 0.727 0.545 CB 1.097 Z: 11 14.484 1.731 0.758 0.783 0.900 0.800 N 1.304 Z: 20 22.367 1.794 0.622 0.876 1.000 0.737 CA 1.281 20 residues pruned to eliminate duplicates Z: 10 17.711 1.880 0.593 0.756 1.000 0.889 CB 1.570 10 residues pruned to eliminate duplicates Z: 19 17.775 1.779 0.581 0.867 0.944 0.667 CA 1.154 19 residues pruned to eliminate duplicates Z: 12 11.817 1.748 0.517 0.589 1.000 0.636 CB 1.234 12 residues pruned to eliminate duplicates Z: 11 16.214 1.911 1.000 0.441 1.000 0.600 N 1.425 Z: 15 7.040 1.726 0.626 0.238 0.714 0.357 CB 1.272 15 residues pruned to eliminate duplicates 6 1.830 1.482 0.400 0.441 0.800 0.400 CB 0.524 ? Z: 8 10.781 1.813 0.749 0.629 0.857 0.571 N 1.328 6 residues pruned to eliminate duplicates Z: 30 16.994 1.855 0.842 0.296 0.862 0.517 CB 1.345 30 residues pruned to eliminate duplicates Z: 10 17.634 1.790 0.788 0.862 1.000 0.889 CB 1.348 10 residues pruned to eliminate duplicates Z: 16 13.797 1.741 0.497 0.521 1.000 0.667 CB 1.338 20 residues pruned to eliminate duplicates Z: 17 13.195 1.836 0.813 0.487 0.750 0.500 CB 1.339 Z: 16 16.326 1.920 0.824 0.426 0.933 0.600 CA 1.393 16 residues pruned to eliminate duplicates Z: 13 16.794 1.862 0.692 0.851 0.917 0.833 CB 1.243 13 residues pruned to eliminate duplicates Z: 10 6.944 1.749 0.176 0.634 1.000 0.556 CB 0.992 Z: 28 13.729 1.803 0.533 0.465 0.926 0.704 CB 1.069 22 residues pruned to eliminate duplicates Z: 6 7.507 1.735 0.832 0.415 0.800 0.400 N 1.442 7 residues pruned to eliminate duplicates Z: 17 17.328 1.786 0.436 0.845 1.000 0.750 CB 1.256 17 residues pruned to eliminate duplicates Z: 12 15.662 1.867 0.754 0.837 0.818 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 16 19.717 1.844 0.517 0.917 1.000 0.800 CB 1.284 16 residues pruned to eliminate duplicates Z: 19 7.829 1.763 0.570 0.325 0.833 0.556 CB 0.970 19 residues pruned to eliminate duplicates Z: 15 19.084 1.744 0.598 0.913 1.000 0.786 CA 1.296 11 residues pruned to eliminate duplicates Z: 46 31.233 1.897 0.679 0.608 0.956 0.822 CB 1.381 46 residues pruned to eliminate duplicates Z: 23 15.804 1.785 0.812 0.467 0.909 0.636 CB 1.186 23 residues pruned to eliminate duplicates Z: 16 16.119 1.807 0.390 0.907 1.000 0.933 CB 1.178 16 residues pruned to eliminate duplicates Z: 25 15.745 1.757 0.676 0.618 0.917 0.542 CB 1.065 18 residues pruned to eliminate duplicates Z: 12 18.064 1.879 0.795 0.698 0.909 0.636 CB 1.483 12 residues pruned to eliminate duplicates Z: 26 14.702 1.636 0.720 0.526 0.880 0.600 CB 1.157 26 residues pruned to eliminate duplicates Z: 16 9.074 1.817 0.851 0.355 0.800 0.467 CB 1.018 16 residues pruned to eliminate duplicates Z: 13 13.273 1.723 0.763 0.858 0.833 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 14 9.149 1.778 1.297 0.256 0.692 0.615 CB 1.187 14 residues pruned to eliminate duplicates Z: 21 13.564 1.841 0.495 0.465 0.850 0.550 CB 1.342 7 residues pruned to eliminate duplicates Z: 10 7.940 1.584 0.626 0.354 1.000 0.556 CB 1.203 Z: 10 10.667 1.731 0.250 0.850 1.000 1.000 CA 1.217 10 residues pruned to eliminate duplicates Z: 18 17.476 1.780 0.490 0.861 0.941 0.647 CA 1.248 18 residues pruned to eliminate duplicates Z: 13 15.638 1.763 0.620 0.924 0.917 0.917 CB 1.210 13 residues pruned to eliminate duplicates Z: 12 16.872 1.925 0.823 0.888 1.000 0.636 CB 1.044 12 residues pruned to eliminate duplicates Z: 17 7.152 1.562 0.451 0.328 0.875 0.500 CB 1.089 Z: 17 14.550 1.850 0.449 0.820 1.000 0.750 CB 1.028 17 residues pruned to eliminate duplicates Z: 14 12.264 1.778 0.686 0.571 0.846 0.538 CB 1.252 14 residues pruned to eliminate duplicates Z: 17 19.921 1.818 0.605 0.802 0.938 0.625 CB 1.398 17 residues pruned to eliminate duplicates Z: 15 17.209 1.868 0.917 0.591 0.857 0.643 CB 1.374 15 residues pruned to eliminate duplicates Z: 16 11.787 1.825 0.643 0.402 0.933 0.533 CA 1.205 16 residues pruned to eliminate duplicates Z: 20 12.424 1.766 0.706 0.533 0.895 0.684 CB 1.024 Z: 16 23.638 1.881 0.920 0.879 0.933 0.800 CB 1.313 16 residues pruned to eliminate duplicates Z: 6 3.614 1.570 0.370 0.799 1.000 0.600 CA 0.578 6 residues pruned to eliminate duplicates Z: 31 23.760 1.878 0.650 0.729 0.967 0.767 CB 1.179 17 residues pruned to eliminate duplicates Z: 20 21.965 1.810 0.810 0.848 1.000 0.684 CB 1.141 20 residues pruned to eliminate duplicates Z: 15 10.689 1.882 0.431 0.469 0.929 0.500 CB 1.179 15 residues pruned to eliminate duplicates Z: 17 22.616 1.860 0.822 0.891 1.000 0.812 CB 1.199 18 residues pruned to eliminate duplicates Z: 18 16.260 1.775 0.869 0.898 0.941 0.471 CB 0.903 18 residues pruned to eliminate duplicates Z: 9 14.922 1.729 1.117 0.627 0.875 0.750 N 1.462 7 residues pruned to eliminate duplicates Z: 18 20.217 1.785 0.952 0.910 1.000 0.412 CB 0.998 17 residues pruned to eliminate duplicates Z: 19 22.609 1.887 0.540 0.882 1.000 0.889 CA 1.327 19 residues pruned to eliminate duplicates Z: 9 13.429 1.747 0.616 0.882 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 24 14.521 1.777 0.828 0.424 0.826 0.565 CB 1.221 24 residues pruned to eliminate duplicates Z: 8 10.137 1.764 0.730 0.709 1.000 0.857 CB 1.039 5 residues pruned to eliminate duplicates Z: 9 10.840 1.664 0.598 0.829 1.000 0.750 CB 1.085 9 residues pruned to eliminate duplicates Z: 9 14.551 1.695 0.663 0.881 1.000 0.875 CA 1.321 Z: 7 9.373 1.545 0.608 0.793 1.000 0.667 CA 1.192 Z: 12 5.514 1.611 0.605 0.394 0.818 0.545 CB 0.879 Z: 6 5.725 1.427 0.466 0.829 1.000 0.800 N 0.922 6 residues pruned to eliminate duplicates Z: 24 12.247 1.718 0.573 0.418 0.870 0.435 CB 1.184 24 residues pruned to eliminate duplicates Z: 9 8.435 1.547 0.400 0.806 1.000 0.625 CB 1.054 Z: 16 22.658 1.882 0.762 0.925 1.000 0.933 CB 1.237 16 residues pruned to eliminate duplicates Z: 15 12.021 1.582 0.625 0.852 0.929 0.786 CB 0.996 11 residues pruned to eliminate duplicates Z: 6 4.405 1.608 0.883 0.451 1.000 0.600 CB 0.684 8 residues pruned to eliminate duplicates Z: 24 12.525 1.810 0.521 0.423 0.826 0.565 CB 1.244 22 residues pruned to eliminate duplicates Z: 31 23.410 1.801 0.923 0.670 0.833 0.700 CB 1.265 31 residues pruned to eliminate duplicates Z: 13 23.099 1.893 0.909 0.766 0.917 0.833 CA 1.591 13 residues pruned to eliminate duplicates Z: 9 13.274 1.689 0.756 0.575 1.000 0.625 O 1.472 Z: 9 4.748 1.602 0.251 0.403 0.750 0.375 O 1.236 Z: 11 17.584 1.792 0.826 0.922 1.000 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 11 9.414 1.643 0.677 0.704 0.900 0.800 CB 0.997 9 residues pruned to eliminate duplicates Z: 16 6.344 1.550 0.514 0.358 0.733 0.667 CB 1.109 11 residues pruned to eliminate duplicates Z: 10 9.724 1.790 0.493 0.580 1.000 0.556 CB 1.123 10 residues pruned to eliminate duplicates Z: 13 16.813 1.842 0.761 0.857 0.917 0.667 CB 1.203 13 residues pruned to eliminate duplicates Z: 20 6.122 1.640 0.235 0.364 0.737 0.368 CB 1.089 4 residues pruned to eliminate duplicates Z: 18 15.091 1.793 0.940 0.891 0.882 0.647 CB 0.857 18 residues pruned to eliminate duplicates Z: 23 21.696 1.917 0.783 0.563 0.955 0.682 CB 1.334 23 residues pruned to eliminate duplicates Z: 18 18.847 1.776 0.564 0.876 0.941 0.647 CB 1.271 18 residues pruned to eliminate duplicates Z: 14 12.708 1.656 0.867 0.500 0.846 0.538 CB 1.347 Z: 21 15.324 1.757 0.627 0.593 0.850 0.600 CB 1.290 21 residues pruned to eliminate duplicates Z: 18 17.040 1.789 0.496 0.894 1.000 0.765 CB 1.108 26 residues pruned to eliminate duplicates Z: 35 18.573 1.802 0.651 0.531 0.853 0.647 CB 1.217 43 residues pruned to eliminate duplicates Z: 20 19.728 1.795 0.378 0.886 1.000 0.947 CB 1.320 20 residues pruned to eliminate duplicates Z: 17 15.190 1.854 0.555 0.865 0.938 0.750 CB 1.029 17 residues pruned to eliminate duplicates Z: 7 15.405 1.816 0.828 0.872 1.000 0.833 CB 1.381 7 residues pruned to eliminate duplicates Z: 16 10.491 1.780 0.620 0.396 0.933 0.600 CB 1.123 16 residues pruned to eliminate duplicates Z: 15 18.994 1.722 0.593 0.936 1.000 0.643 CB 1.289 15 residues pruned to eliminate duplicates Z: 16 13.662 1.755 0.441 0.866 1.000 0.733 CB 1.021 16 residues pruned to eliminate duplicates Z: 17 19.793 1.807 0.712 0.858 1.000 0.562 CB 1.177 17 residues pruned to eliminate duplicates Z: 14 24.224 1.787 0.992 0.930 1.000 0.692 CB 1.321 15 residues pruned to eliminate duplicates Z: 26 11.368 1.754 0.467 0.332 0.880 0.520 CB 1.207 6 residues pruned to eliminate duplicates Z: 17 18.833 1.816 0.787 0.881 1.000 0.625 CB 1.051 17 residues pruned to eliminate duplicates Z: 17 23.586 1.873 0.876 0.874 1.000 0.688 CB 1.222 17 residues pruned to eliminate duplicates Z: 19 19.049 1.804 0.622 0.878 0.889 0.778 CB 1.253 19 residues pruned to eliminate duplicates Z: 15 15.455 1.682 0.497 0.919 1.000 0.929 CB 1.156 15 residues pruned to eliminate duplicates Z: 9 9.385 1.758 0.382 0.514 1.000 0.375 N 1.347 Z: 12 15.784 1.765 0.659 0.726 1.000 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 7 5.707 1.630 0.284 0.488 1.000 0.833 CB 1.126 7 residues pruned to eliminate duplicates Z: 11 6.009 1.592 0.700 0.588 1.000 0.600 CB 0.646 Z: 20 22.979 1.820 0.829 0.862 1.000 0.842 CB 1.163 20 residues pruned to eliminate duplicates Z: 17 17.008 1.762 0.875 0.866 0.875 0.688 CB 1.077 17 residues pruned to eliminate duplicates Z: 6 5.779 1.735 0.156 0.557 1.000 0.600 CA 1.219 5 residues pruned to eliminate duplicates Z: 34 19.530 1.839 0.855 0.449 0.909 0.606 CB 1.155 26 residues pruned to eliminate duplicates Z: 19 11.117 1.763 0.396 0.423 0.889 0.556 CB 1.297 19 residues pruned to eliminate duplicates Z: 9 8.703 1.673 0.870 0.678 0.875 0.750 CB 0.954 9 residues pruned to eliminate duplicates Z: 7 6.549 1.761 -0.009 0.685 1.000 0.667 CB 1.293 Z: 41 28.769 1.896 0.760 0.630 0.950 0.750 CB 1.269 41 residues pruned to eliminate duplicates Z: 16 19.676 1.902 0.477 0.902 1.000 0.800 CB 1.290 16 residues pruned to eliminate duplicates Z: 11 13.990 1.808 0.851 0.451 1.000 0.700 CA 1.391 11 residues pruned to eliminate duplicates Z: 6 5.842 1.648 0.422 0.532 1.000 0.400 CB 1.080 Z: 23 20.290 1.755 0.738 0.624 0.864 0.727 CB 1.461 14 residues pruned to eliminate duplicates Z: 7 5.817 1.796 -0.002 0.714 0.833 0.667 CB 1.309 Z: 6 3.361 1.685 0.237 0.548 0.800 0.600 CB 0.860 Z: 10 11.432 1.649 0.645 0.864 1.000 0.889 CB 1.030 10 residues pruned to eliminate duplicates Z: 14 21.884 1.780 0.984 0.925 1.000 0.615 CB 1.206 14 residues pruned to eliminate duplicates Z: 19 22.318 1.776 0.922 0.875 0.944 0.778 CB 1.187 19 residues pruned to eliminate duplicates Z: 32 16.810 1.784 0.636 0.507 0.903 0.613 CB 1.138 32 residues pruned to eliminate duplicates Z: 11 16.730 1.757 1.037 0.646 0.900 0.600 CB 1.433 11 residues pruned to eliminate duplicates Z: 13 14.489 1.788 0.285 0.897 1.000 0.750 CB 1.303 13 residues pruned to eliminate duplicates Z: 6 4.262 1.521 0.540 0.421 0.800 0.400 CB 1.104 Z: 22 11.631 1.794 0.445 0.432 0.810 0.524 CB 1.297 21 residues pruned to eliminate duplicates Z: 24 20.152 1.767 0.883 0.621 0.913 0.652 CB 1.234 18 residues pruned to eliminate duplicates Z: 54 23.459 1.864 0.615 0.472 0.906 0.698 CB 1.215 58 residues pruned to eliminate duplicates Z: 10 6.496 1.631 0.591 0.364 0.778 0.667 CB 1.242 7 residues pruned to eliminate duplicates Z: 15 15.917 1.647 0.963 0.910 1.000 0.786 CB 0.933 15 residues pruned to eliminate duplicates Z: 15 16.220 1.786 0.823 0.898 0.929 0.500 CB 1.026 15 residues pruned to eliminate duplicates Z: 19 15.950 1.729 0.398 0.932 1.000 1.000 CB 1.086 18 residues pruned to eliminate duplicates Z: 11 13.227 1.702 0.875 0.737 0.900 0.600 CB 1.177 11 residues pruned to eliminate duplicates 7 1.469 1.432 0.415 0.290 0.500 0.333 N 0.749 ? Z: 15 9.729 1.669 0.391 0.546 0.857 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 11 10.304 1.407 0.818 0.785 0.900 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 6 3.557 1.458 0.518 0.759 1.000 0.800 CB 0.571 6 residues pruned to eliminate duplicates Z: 9 8.639 1.680 0.312 0.796 1.000 0.750 CB 1.069 Z: 48 24.807 1.748 0.788 0.648 0.894 0.596 CB 1.129 48 residues pruned to eliminate duplicates Z: 37 14.004 1.705 0.588 0.381 0.778 0.528 CB 1.258 37 residues pruned to eliminate duplicates Z: 18 19.790 1.842 0.446 0.906 1.000 0.882 CA 1.282 18 residues pruned to eliminate duplicates Z: 18 15.771 1.830 0.680 0.851 0.941 0.824 CB 0.978 18 residues pruned to eliminate duplicates Z: 7 4.432 1.523 0.509 0.527 0.667 0.500 O 1.150 Z: 15 5.681 1.698 0.394 0.308 0.857 0.571 CB 0.926 15 residues pruned to eliminate duplicates Z: 19 20.448 1.824 0.724 0.839 1.000 0.722 CB 1.145 19 residues pruned to eliminate duplicates Z: 8 6.780 1.505 0.545 0.723 0.714 0.286 O 1.262 8 residues pruned to eliminate duplicates Z: 59 21.876 1.825 0.584 0.459 0.914 0.621 CB 1.134 42 residues pruned to eliminate duplicates Z: 17 14.673 1.769 0.541 0.534 1.000 0.562 CB 1.301 28 residues pruned to eliminate duplicates Z: 14 23.729 1.772 0.861 0.908 1.000 0.769 CB 1.418 14 residues pruned to eliminate duplicates Z: 7 5.099 1.612 0.694 0.525 0.667 0.667 O 1.115 7 residues pruned to eliminate duplicates Z: 7 5.088 1.320 0.200 0.833 1.000 0.833 CA 0.983 Z: 11 12.307 1.732 0.796 0.902 0.900 0.900 CB 0.992 11 residues pruned to eliminate duplicates Z: 7 14.146 1.735 1.047 0.862 0.833 0.500 CB 1.433 7 residues pruned to eliminate duplicates Z: 22 23.089 1.813 1.135 0.597 0.810 0.667 CB 1.467 20 residues pruned to eliminate duplicates Z: 14 24.691 1.799 0.980 0.944 1.000 0.615 CB 1.332 14 residues pruned to eliminate duplicates Z: 11 3.654 1.472 0.623 0.344 0.700 0.500 CB 0.819 Z: 11 12.764 1.526 0.715 0.869 1.000 0.700 CA 1.126 11 residues pruned to eliminate duplicates Z: 19 19.068 1.769 0.506 0.876 0.944 0.944 CB 1.298 19 residues pruned to eliminate duplicates Z: 9 13.025 1.732 1.012 0.600 1.000 0.625 CB 1.202 12 residues pruned to eliminate duplicates Z: 6 6.103 1.484 0.666 0.823 0.800 0.600 CA 1.043 7 residues pruned to eliminate duplicates Z: 8 3.864 1.498 0.254 0.566 0.857 0.571 CB 0.852 6 residues pruned to eliminate duplicates Z: 10 12.330 1.636 0.834 0.845 1.000 0.889 CB 1.018 10 residues pruned to eliminate duplicates Z: 10 10.708 1.662 0.636 0.922 0.889 0.889 CB 1.039 10 residues pruned to eliminate duplicates Z: 8 5.611 1.593 0.534 0.424 0.714 0.429 CA 1.314 Z: 9 13.310 1.578 0.626 0.884 1.000 0.875 CA 1.326 9 residues pruned to eliminate duplicates Z: 18 9.213 1.754 0.327 0.402 0.824 0.412 CB 1.293 16 residues pruned to eliminate duplicates Z: 18 11.808 1.732 0.336 0.581 0.941 0.471 CB 1.216 Z: 15 19.442 1.765 0.712 0.923 0.929 0.714 CA 1.301 15 residues pruned to eliminate duplicates Z: 11 4.362 1.650 0.527 0.439 0.800 0.400 CB 0.729 Z: 15 12.764 1.623 0.611 0.921 1.000 0.714 CB 0.918 15 residues pruned to eliminate duplicates Z: 12 7.327 1.679 0.663 0.363 0.909 0.545 CB 1.009 12 residues pruned to eliminate duplicates Z: 20 13.022 1.677 0.635 0.679 0.895 0.737 CB 1.033 20 residues pruned to eliminate duplicates Z: 11 16.779 1.761 0.647 0.888 1.000 0.800 CA 1.317 11 residues pruned to eliminate duplicates Z: 12 15.146 1.945 0.993 0.452 0.909 0.636 CB 1.362 12 residues pruned to eliminate duplicates Z: 6 5.154 1.666 0.381 0.554 0.800 0.800 N 1.188 Z: 16 13.012 1.794 0.582 0.486 1.000 0.533 CB 1.200 16 residues pruned to eliminate duplicates Z: 13 8.022 1.716 0.217 0.597 1.000 0.667 CB 1.012 7 residues pruned to eliminate duplicates Z: 15 13.162 1.800 0.158 0.879 1.000 0.929 CB 1.224 15 residues pruned to eliminate duplicates Z: 19 22.153 1.901 0.623 0.790 1.000 0.722 CB 1.312 16 residues pruned to eliminate duplicates Z: 45 28.355 1.885 0.821 0.552 0.909 0.659 CB 1.301 45 residues pruned to eliminate duplicates Z: 45 17.481 1.758 0.576 0.502 0.909 0.636 CB 1.044 45 residues pruned to eliminate duplicates Z: 19 22.557 1.734 0.708 0.904 1.000 0.833 CA 1.279 19 residues pruned to eliminate duplicates Z: 10 14.246 1.797 0.672 0.602 1.000 0.556 N 1.434 10 residues pruned to eliminate duplicates Z: 15 7.996 1.693 0.383 0.603 0.857 0.571 CB 0.965 10 residues pruned to eliminate duplicates Z: 6 5.253 1.549 0.706 0.349 0.800 0.600 N 1.310 Z: 14 11.263 1.826 0.749 0.360 1.000 0.462 CB 1.137 14 residues pruned to eliminate duplicates Z: 19 23.639 1.868 0.993 0.888 0.944 0.500 CB 1.141 19 residues pruned to eliminate duplicates Z: 9 6.743 1.712 0.348 0.427 0.875 0.250 N 1.273 9 residues pruned to eliminate duplicates Z: 31 14.526 1.621 0.736 0.401 0.867 0.467 CB 1.207 Z: 19 13.376 1.675 0.410 0.887 0.889 0.778 CA 1.082 19 residues pruned to eliminate duplicates Z: 6 3.135 1.612 0.077 0.457 1.000 0.800 CA 0.844 6 residues pruned to eliminate duplicates Z: 6 4.895 1.664 0.025 0.797 1.000 0.800 CB 0.990 Z: 9 12.309 1.712 0.712 0.774 1.000 0.625 CB 1.165 9 residues pruned to eliminate duplicates Z: 6 2.432 1.383 0.685 0.510 1.000 0.800 N 0.462 Z: 40 29.322 1.862 0.701 0.675 0.974 0.846 CB 1.295 40 residues pruned to eliminate duplicates Z: 15 16.564 1.783 0.928 0.670 0.929 0.714 CB 1.186 15 residues pruned to eliminate duplicates Z: 11 8.928 1.809 0.504 0.531 0.800 0.600 CB 1.258 12 residues pruned to eliminate duplicates Z: 9 5.277 1.616 0.610 0.500 0.750 0.625 CB 0.956 Z: 6 3.088 1.707 -0.316 0.727 1.000 0.400 CB 0.964 Z: 13 16.823 1.759 0.776 0.621 0.917 0.667 O 1.513 18 residues pruned to eliminate duplicates Z: 7 6.557 1.813 0.521 0.691 0.833 0.833 CB 0.978 7 residues pruned to eliminate duplicates Z: 17 20.612 1.817 0.961 0.909 0.938 0.875 CB 1.095 18 residues pruned to eliminate duplicates Z: 21 9.921 1.724 0.457 0.431 0.850 0.450 CB 1.116 21 residues pruned to eliminate duplicates Z: 19 13.014 1.828 0.808 0.383 0.944 0.500 CB 1.113 19 residues pruned to eliminate duplicates Z: 17 5.300 1.470 0.253 0.325 0.875 0.562 CB 0.996 Z: 6 3.382 1.402 0.595 0.641 0.800 0.800 N 0.741 Z: 32 24.717 1.795 0.673 0.645 0.968 0.774 CB 1.334 32 residues pruned to eliminate duplicates Z: 15 4.101 1.452 0.369 0.325 0.786 0.500 CB 0.851 9 residues pruned to eliminate duplicates Z: 18 23.206 1.856 0.828 0.608 0.941 0.706 N 1.590 18 residues pruned to eliminate duplicates Z: 10 6.220 1.709 -0.063 0.690 1.000 0.667 CB 1.088 Z: 18 16.127 1.679 0.957 0.680 0.882 0.765 CB 1.143 Z: 10 17.698 1.663 0.957 0.889 1.000 0.889 CA 1.305 10 residues pruned to eliminate duplicates Z: 6 4.701 1.600 0.392 0.603 0.800 0.800 CB 1.070 6 residues pruned to eliminate duplicates Z: 19 14.500 1.726 0.607 0.562 0.944 0.667 CB 1.228 19 residues pruned to eliminate duplicates Z: 10 6.812 1.695 0.392 0.430 0.889 0.667 CB 1.165 10 residues pruned to eliminate duplicates Z: 45 25.531 1.840 0.747 0.506 0.977 0.636 CB 1.219 45 residues pruned to eliminate duplicates Z: 10 10.475 1.662 0.305 0.865 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 7 3.078 1.576 0.465 0.436 0.833 0.667 CB 0.697 7 residues pruned to eliminate duplicates Z: 6 5.865 1.807 0.380 0.744 1.000 0.600 CB 0.846 6 residues pruned to eliminate duplicates Z: 10 7.192 1.699 0.738 0.279 0.889 0.444 CB 1.172 Z: 18 13.412 1.758 0.531 0.658 0.941 0.647 CB 1.108 18 residues pruned to eliminate duplicates Z: 13 10.973 1.722 0.734 0.535 0.917 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 12 11.809 1.596 0.577 0.538 1.000 0.545 O 1.363 12 residues pruned to eliminate duplicates Z: 10 5.017 1.639 0.195 0.431 0.889 0.556 CB 1.032 10 residues pruned to eliminate duplicates Z: 22 16.815 1.783 0.772 0.652 0.952 0.714 CB 1.058 22 residues pruned to eliminate duplicates Z: 8 9.097 1.518 0.615 0.876 1.000 0.714 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 2.310 1.432 0.330 0.323 0.600 0.600 CA 1.100 Z: 16 5.992 1.755 0.469 0.293 0.800 0.533 CB 0.947 16 residues pruned to eliminate duplicates Z: 12 14.356 1.863 0.735 0.489 0.909 0.818 CA 1.490 12 residues pruned to eliminate duplicates Z: 9 9.656 1.527 0.421 0.868 1.000 1.000 CA 1.150 Z: 7 12.744 1.857 0.607 0.716 1.000 0.667 N 1.434 Z: 16 16.370 1.817 0.536 0.911 1.000 0.933 CB 1.073 16 residues pruned to eliminate duplicates Z: 8 10.488 1.599 0.646 0.868 1.000 1.000 CB 1.101 9 residues pruned to eliminate duplicates Z: 8 9.866 1.605 0.574 0.731 0.857 0.857 CB 1.400 8 residues pruned to eliminate duplicates Z: 6 3.117 1.619 -0.050 0.521 0.800 0.400 CB 1.110 Z: 8 5.008 1.604 0.510 0.645 0.857 0.571 CB 0.797 Z: 10 14.373 1.652 0.769 0.918 1.000 0.778 CA 1.157 14 residues pruned to eliminate duplicates Z: 8 7.479 1.516 0.431 0.816 0.857 0.571 CA 1.155 8 residues pruned to eliminate duplicates Z: 9 9.911 1.519 0.862 0.793 0.875 0.875 CB 1.096 9 residues pruned to eliminate duplicates Z: 10 15.037 1.652 1.003 0.881 1.000 0.556 CB 1.097 10 residues pruned to eliminate duplicates Z: 13 17.962 1.679 0.861 0.678 1.000 0.667 N 1.409 13 residues pruned to eliminate duplicates Z: 20 22.356 1.837 0.600 0.857 1.000 0.842 CA 1.286 20 residues pruned to eliminate duplicates Z: 22 14.346 1.729 0.561 0.580 0.810 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 11 14.119 1.725 0.433 0.863 1.000 0.800 N 1.325 11 residues pruned to eliminate duplicates Z: 8 8.203 1.686 -0.013 0.888 1.000 0.857 CA 1.342 8 residues pruned to eliminate duplicates Z: 6 3.755 1.530 0.125 0.442 1.000 0.600 N 1.036 Z: 10 13.222 1.645 0.728 0.907 1.000 0.667 CB 1.102 10 residues pruned to eliminate duplicates Z: 13 8.801 1.792 0.892 0.285 0.917 0.500 CB 1.041 13 residues pruned to eliminate duplicates Z: 11 5.372 1.704 0.405 0.461 0.800 0.500 CB 0.924 11 residues pruned to eliminate duplicates Z: 8 7.150 1.374 0.411 0.815 1.000 0.714 CB 1.060 8 residues pruned to eliminate duplicates Z: 14 11.026 1.784 0.267 0.898 0.923 0.769 CB 1.049 14 residues pruned to eliminate duplicates Z: 24 14.337 1.980 0.695 0.296 0.913 0.565 CB 1.225 26 residues pruned to eliminate duplicates Z: 8 2.802 1.420 0.278 0.295 0.714 0.429 CB 1.028 Z: 14 9.414 1.645 0.466 0.539 0.923 0.615 CB 1.128 14 residues pruned to eliminate duplicates Z: 12 7.407 1.644 0.526 0.388 0.909 0.545 CB 1.102 12 residues pruned to eliminate duplicates Z: 15 7.371 1.478 0.502 0.424 0.929 0.643 CB 1.034 11 residues pruned to eliminate duplicates Z: 26 19.102 1.774 0.513 0.731 0.920 0.760 CB 1.257 23 residues pruned to eliminate duplicates Z: 17 17.366 1.834 0.538 0.870 0.875 0.625 CB 1.284 17 residues pruned to eliminate duplicates Z: 17 20.810 1.850 0.684 0.886 1.000 0.750 CB 1.205 17 residues pruned to eliminate duplicates Z: 22 16.586 1.694 0.723 0.591 0.952 0.571 CB 1.194 22 residues pruned to eliminate duplicates Z: 14 17.253 1.732 0.616 0.922 1.000 0.923 CB 1.203 14 residues pruned to eliminate duplicates Z: 15 16.118 1.883 0.443 0.839 0.857 0.714 CB 1.380 15 residues pruned to eliminate duplicates Z: 23 12.100 1.676 0.479 0.423 0.909 0.500 CB 1.240 21 residues pruned to eliminate duplicates Z: 12 9.657 1.582 0.640 0.441 0.909 0.545 CB 1.312 11 residues pruned to eliminate duplicates Z: 8 13.665 1.595 0.794 0.852 1.000 0.857 N 1.336 8 residues pruned to eliminate duplicates Z: 11 6.474 1.570 0.626 0.626 0.800 0.700 CB 0.890 11 residues pruned to eliminate duplicates Z: 8 13.482 1.614 0.772 0.860 1.000 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 17 18.459 1.791 0.634 0.876 1.000 0.812 CB 1.146 17 residues pruned to eliminate duplicates Z: 6 6.463 1.441 0.540 0.611 1.000 0.800 CB 1.173 Z: 21 18.933 1.754 0.503 0.856 0.950 0.800 CB 1.246 21 residues pruned to eliminate duplicates Z: 22 16.122 1.781 0.644 0.577 0.952 0.762 CB 1.171 22 residues pruned to eliminate duplicates Z: 28 15.664 1.917 0.921 0.246 0.778 0.481 CB 1.411 34 residues pruned to eliminate duplicates Z: 10 5.005 1.675 0.979 0.474 0.778 0.444 CB 0.665 10 residues pruned to eliminate duplicates Z: 41 20.244 1.690 0.704 0.629 0.925 0.500 CB 1.065 53 residues pruned to eliminate duplicates Z: 39 19.378 1.702 0.692 0.575 0.921 0.500 CB 1.102 39 residues pruned to eliminate duplicates Z: 7 4.382 1.478 0.822 0.606 0.667 0.500 N 0.901 7 residues pruned to eliminate duplicates Z: 10 4.971 1.609 0.289 0.484 0.889 0.556 CB 0.913 10 residues pruned to eliminate duplicates Z: 10 4.553 1.493 0.593 0.267 0.667 0.444 N 1.247 Z: 10 11.457 1.640 0.642 0.824 1.000 0.667 CB 1.071 10 residues pruned to eliminate duplicates Z: 12 11.547 1.813 0.269 0.528 1.000 0.455 CA 1.473 12 residues pruned to eliminate duplicates Z: 19 13.216 1.866 0.849 0.392 0.722 0.500 CB 1.402 19 residues pruned to eliminate duplicates Z: 16 20.601 1.920 0.431 0.878 1.000 0.667 CA 1.406 16 residues pruned to eliminate duplicates Z: 7 6.364 1.648 0.686 0.523 1.000 0.833 CB 0.914 7 residues pruned to eliminate duplicates Z: 16 12.778 1.628 0.448 0.854 0.867 0.800 CB 1.193 16 residues pruned to eliminate duplicates Z: 8 5.215 1.634 0.696 0.308 0.857 0.429 CB 1.027 8 residues pruned to eliminate duplicates Z: 8 9.335 1.642 0.263 0.782 1.000 0.571 N 1.327 8 residues pruned to eliminate duplicates Z: 14 20.821 1.778 0.794 0.925 1.000 0.769 CA 1.270 14 residues pruned to eliminate duplicates Z: 13 21.013 1.758 0.955 0.937 1.000 0.500 CB 1.228 13 residues pruned to eliminate duplicates Z: 6 5.544 1.543 0.575 0.686 0.800 0.600 CB 1.075 Z: 17 9.303 1.786 0.487 0.352 0.938 0.500 CB 1.097 17 residues pruned to eliminate duplicates Z: 7 5.639 1.606 0.648 0.472 0.833 0.833 CB 1.073 7 residues pruned to eliminate duplicates Z: 6 2.652 1.415 0.603 0.369 0.600 0.600 CB 1.002 Z: 14 12.155 1.808 0.393 0.938 1.000 0.769 CB 0.931 14 residues pruned to eliminate duplicates 7 1.624 1.510 0.117 0.169 0.500 0.333 O 1.175 ? Z: 7 4.036 1.436 0.930 0.254 0.667 0.500 CA 1.183 Z: 7 5.536 1.410 0.303 0.682 1.000 0.333 CA 1.041 Z: 15 14.593 1.649 0.964 0.898 1.000 0.500 CB 0.861 15 residues pruned to eliminate duplicates Z: 16 8.455 1.598 0.441 0.349 0.867 0.467 N 1.289 16 residues pruned to eliminate duplicates Z: 34 15.495 1.856 0.609 0.328 0.879 0.576 CB 1.242 34 residues pruned to eliminate duplicates Z: 16 8.960 1.747 0.144 0.526 0.867 0.533 CB 1.303 16 residues pruned to eliminate duplicates Z: 34 22.570 1.784 0.482 0.621 0.970 0.788 CA 1.367 38 residues pruned to eliminate duplicates Z: 7 4.642 1.578 0.283 0.346 0.833 0.500 CB 1.327 Z: 6 4.281 1.490 0.490 0.632 1.000 0.800 CB 0.762 Z: 8 5.070 1.616 0.541 0.345 0.857 0.714 CB 1.062 Z: 13 9.126 1.766 0.570 0.683 1.000 0.500 CB 0.803 13 residues pruned to eliminate duplicates Z: 10 6.286 1.437 0.497 0.462 0.889 0.778 CB 1.139 Z: 15 15.362 1.615 0.900 0.842 1.000 0.500 CB 0.996 15 residues pruned to eliminate duplicates Z: 9 10.771 1.564 0.781 0.878 0.875 0.750 CA 1.134 9 residues pruned to eliminate duplicates Z: 12 6.625 1.771 0.468 0.409 0.818 0.364 CB 1.033 12 residues pruned to eliminate duplicates Z: 12 3.478 1.544 -0.120 0.633 1.000 0.636 CB 0.681 Z: 20 28.853 1.853 0.920 0.888 1.000 0.737 CA 1.341 20 residues pruned to eliminate duplicates Z: 13 7.757 1.734 0.638 0.676 0.917 0.500 CB 0.731 13 residues pruned to eliminate duplicates Z: 16 12.850 1.498 0.633 0.894 1.000 0.600 CB 0.973 16 residues pruned to eliminate duplicates Z: 46 24.838 1.848 0.996 0.338 0.933 0.600 CB 1.283 91 residues pruned to eliminate duplicates Z: 7 5.764 1.629 0.307 0.602 0.833 0.500 CB 1.204 9 residues pruned to eliminate duplicates Z: 11 6.454 1.694 0.212 0.331 1.000 0.500 CB 1.196 11 residues pruned to eliminate duplicates Z: 9 4.889 1.748 -0.088 0.561 1.000 0.500 CB 1.022 Z: 10 13.052 1.768 0.756 0.508 1.000 0.556 N 1.391 10 residues pruned to eliminate duplicates Z: 12 17.535 1.955 0.653 0.892 0.909 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 12 10.357 1.678 0.588 0.615 0.818 0.636 CA 1.285 10 residues pruned to eliminate duplicates Z: 8 6.602 1.630 0.668 0.527 0.857 0.857 N 1.043 Z: 23 12.106 1.614 0.599 0.418 0.864 0.455 CB 1.261 23 residues pruned to eliminate duplicates Z: 12 14.813 1.873 0.774 0.894 1.000 0.727 CB 0.964 12 residues pruned to eliminate duplicates Z: 11 6.521 1.573 0.108 0.646 1.000 0.600 CB 1.032 Z: 7 4.507 1.508 -0.101 0.817 1.000 0.833 CB 1.031 Z: 10 5.162 1.735 0.221 0.267 0.889 0.444 CB 1.190 10 residues pruned to eliminate duplicates Z: 21 5.410 1.496 0.401 0.327 0.800 0.350 CB 0.872 21 residues pruned to eliminate duplicates Z: 10 8.268 1.562 0.490 0.884 0.889 0.556 CB 0.963 10 residues pruned to eliminate duplicates Z: 13 3.267 1.473 0.354 0.265 0.583 0.250 N 1.059 Z: 15 14.412 1.900 0.599 0.840 0.857 0.429 CB 1.103 15 residues pruned to eliminate duplicates Z: 39 23.711 1.878 0.891 0.352 0.921 0.658 CB 1.380 39 residues pruned to eliminate duplicates Z: 6 8.989 1.894 0.215 0.864 1.000 1.000 CB 1.281 6 residues pruned to eliminate duplicates Z: 6 4.147 1.781 -0.012 0.558 0.800 0.600 CB 1.245 6 residues pruned to eliminate duplicates Z: 6 5.518 1.671 0.118 0.538 1.000 0.800 CB 1.273 Z: 12 11.561 1.483 0.800 0.823 0.909 0.636 CA 1.086 12 residues pruned to eliminate duplicates Z: 11 16.506 1.843 0.718 0.732 0.900 0.800 N 1.487 9 residues pruned to eliminate duplicates Z: 8 9.940 1.588 0.387 0.883 1.000 1.000 O 1.233 8 residues pruned to eliminate duplicates Z: 50 29.184 1.851 0.739 0.596 0.959 0.755 CB 1.232 50 residues pruned to eliminate duplicates Z: 11 13.753 1.411 0.885 0.859 1.000 0.500 CA 1.203 Z: 13 11.072 1.561 0.785 0.603 1.000 0.667 CB 1.040 13 residues pruned to eliminate duplicates Z: 6 2.778 1.539 0.095 0.632 0.800 0.600 O 0.814 Z: 18 18.275 1.746 0.867 0.737 0.882 0.647 CB 1.246 16 residues pruned to eliminate duplicates Z: 45 27.222 1.899 0.683 0.538 0.886 0.682 CB 1.396 45 residues pruned to eliminate duplicates Z: 8 6.740 1.622 0.359 0.558 0.857 0.714 CB 1.273 8 residues pruned to eliminate duplicates Z: 6 8.521 1.508 0.897 0.592 1.000 0.400 O 1.221 Z: 6 2.331 1.209 0.080 0.549 1.000 0.800 CB 0.761 Z: 16 3.614 1.334 0.519 0.264 0.733 0.467 CB 0.822 Z: 27 10.755 1.815 0.542 0.260 0.885 0.538 CB 1.121 27 residues pruned to eliminate duplicates Z: 17 8.695 1.760 0.415 0.405 0.875 0.625 CB 1.103 17 residues pruned to eliminate duplicates Z: 8 11.384 1.605 0.757 0.858 1.000 0.857 CB 1.124 8 residues pruned to eliminate duplicates Z: 21 6.907 1.484 0.607 0.357 0.750 0.450 CB 1.008 21 residues pruned to eliminate duplicates Z: 24 17.978 1.898 0.630 0.394 0.957 0.696 CB 1.417 24 residues pruned to eliminate duplicates Z: 12 8.445 1.691 0.538 0.509 0.909 0.636 CB 1.068 12 residues pruned to eliminate duplicates Z: 6 6.017 1.580 0.898 0.478 1.000 0.600 CB 0.917 Z: 9 3.063 1.498 0.762 0.322 0.625 0.375 CB 0.799 Z: 36 12.367 1.669 0.560 0.403 0.771 0.543 CB 1.152 36 residues pruned to eliminate duplicates Z: 12 13.667 1.748 1.076 0.604 0.818 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 7 4.443 1.452 0.698 0.626 1.000 0.667 CB 0.654 Z: 7 3.447 1.594 0.556 0.200 0.667 0.333 CA 1.216 Z: 7 12.814 1.690 1.058 0.834 0.833 0.500 CB 1.353 7 residues pruned to eliminate duplicates Z: 12 6.362 1.738 0.318 0.540 0.909 0.545 CB 0.885 11 residues pruned to eliminate duplicates Z: 42 23.083 1.695 0.711 0.632 0.927 0.561 CB 1.185 42 residues pruned to eliminate duplicates Z: 12 13.273 1.668 0.483 0.879 1.000 0.636 CA 1.173 12 residues pruned to eliminate duplicates Z: 7 2.197 1.497 0.821 0.438 0.833 0.500 CB 0.421 Z: 30 14.655 1.705 0.567 0.406 0.931 0.655 CB 1.207 30 residues pruned to eliminate duplicates Z: 6 3.385 1.490 0.312 0.436 1.000 0.600 O 0.827 Z: 11 10.431 1.717 0.625 0.561 0.900 0.700 CA 1.238 11 residues pruned to eliminate duplicates Z: 24 18.900 1.786 0.615 0.753 0.870 0.783 CB 1.254 24 residues pruned to eliminate duplicates Z: 9 2.026 1.333 0.149 0.296 0.750 0.500 N 0.783 Z: 15 14.050 1.648 0.677 0.888 1.000 0.786 CB 0.979 15 residues pruned to eliminate duplicates Z: 37 22.715 1.769 0.729 0.673 0.972 0.694 CB 1.085 37 residues pruned to eliminate duplicates Z: 14 10.489 1.816 0.719 0.385 1.000 0.538 CB 1.053 14 residues pruned to eliminate duplicates Z: 19 27.752 1.894 0.808 0.892 1.000 0.944 CB 1.373 19 residues pruned to eliminate duplicates Z: 8 10.311 1.588 0.890 0.760 1.000 0.571 CB 1.031 8 residues pruned to eliminate duplicates Z: 10 13.660 1.574 0.636 0.863 1.000 0.889 CA 1.298 11 residues pruned to eliminate duplicates Z: 8 3.994 1.553 0.447 0.283 0.714 0.571 N 1.200 Z: 8 2.420 1.472 0.108 0.313 0.714 0.429 N 0.966 Z: 10 11.537 1.594 0.484 0.885 1.000 0.778 CB 1.175 10 residues pruned to eliminate duplicates 6 1.085 1.209 0.500 0.274 0.600 0.400 O 0.576 ? Z: 6 3.374 1.618 0.034 0.822 1.000 1.000 CB 0.683 6 residues pruned to eliminate duplicates Z: 18 17.428 1.777 0.814 0.838 0.941 0.529 CB 1.042 18 residues pruned to eliminate duplicates Z: 13 4.647 1.630 -0.120 0.517 0.917 0.583 CB 1.003 Z: 6 2.783 1.638 0.269 0.449 0.600 0.600 CB 1.051 Z: 11 10.219 1.532 0.379 0.851 1.000 0.800 CB 1.132 11 residues pruned to eliminate duplicates Z: 8 5.530 1.662 0.047 0.741 1.000 0.429 CB 0.968 Z: 35 28.036 1.971 1.037 0.388 0.912 0.588 CB 1.478 35 residues pruned to eliminate duplicates Z: 19 22.270 1.837 0.714 0.883 1.000 0.833 CB 1.206 19 residues pruned to eliminate duplicates Z: 8 2.001 1.276 0.512 0.256 0.571 0.286 CB 0.908 Z: 29 16.909 1.777 0.709 0.571 0.893 0.429 CB 1.101 29 residues pruned to eliminate duplicates Z: 17 13.333 1.696 0.296 0.711 1.000 0.562 CB 1.252 Z: 9 6.046 1.560 0.617 0.425 0.750 0.625 CB 1.222 Z: 17 9.079 1.623 0.563 0.565 0.750 0.562 CB 1.120 18 residues pruned to eliminate duplicates Z: 10 11.369 1.682 0.521 0.565 1.000 0.667 N 1.391 7 residues pruned to eliminate duplicates Z: 8 4.558 1.402 0.343 0.555 0.857 0.714 CB 1.012 Z: 9 3.505 1.681 0.124 0.350 0.875 0.375 CB 0.882 Z: 19 27.464 1.836 0.940 0.923 1.000 0.444 CB 1.277 19 residues pruned to eliminate duplicates Z: 18 15.677 1.801 0.697 0.861 1.000 0.765 CB 0.914 17 residues pruned to eliminate duplicates Z: 8 3.614 1.538 0.498 0.499 0.857 0.714 CB 0.693 8 residues pruned to eliminate duplicates Z: 8 11.729 1.602 0.822 0.885 1.000 0.714 CB 1.097 8 residues pruned to eliminate duplicates Z: 22 14.899 1.702 0.672 0.759 0.905 0.714 CB 1.003 22 residues pruned to eliminate duplicates Z: 10 10.225 1.663 0.626 0.569 0.889 0.444 N 1.326 10 residues pruned to eliminate duplicates Z: 17 23.006 1.805 1.044 0.899 0.938 0.500 CB 1.188 17 residues pruned to eliminate duplicates Z: 34 21.054 1.798 0.770 0.597 0.939 0.545 CB 1.117 34 residues pruned to eliminate duplicates Z: 12 12.698 1.918 0.831 0.881 0.818 0.727 CB 0.965 12 residues pruned to eliminate duplicates Z: 9 4.255 1.376 0.239 0.526 0.875 0.375 CB 0.984 Z: 9 4.356 1.337 0.281 0.500 0.875 0.750 CB 1.028 8 residues pruned to eliminate duplicates Z: 9 4.028 1.648 0.379 0.346 0.750 0.625 CB 0.988 Z: 9 6.299 1.681 0.195 0.857 1.000 0.750 CB 0.817 Z: 10 12.447 1.827 0.720 0.698 1.000 0.556 CB 1.102 10 residues pruned to eliminate duplicates Z: 10 11.537 1.477 0.609 0.856 1.000 1.000 CA 1.193 8 residues pruned to eliminate duplicates Z: 7 6.931 1.835 0.700 0.278 1.000 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 8 4.399 1.724 0.039 0.622 1.000 0.571 CB 0.827 Z: 15 5.720 1.638 0.231 0.348 0.857 0.500 CB 1.044 15 residues pruned to eliminate duplicates Z: 17 6.371 1.523 0.410 0.473 0.875 0.625 CB 0.871 21 residues pruned to eliminate duplicates Z: 12 4.892 1.449 0.347 0.367 0.727 0.364 C 1.198 Z: 15 4.886 1.507 0.501 0.237 0.786 0.500 CB 0.997 Z: 9 14.228 1.662 0.953 0.896 1.000 0.375 CB 1.110 9 residues pruned to eliminate duplicates Z: 11 3.580 1.592 0.204 0.265 0.700 0.400 O 1.102 11 residues pruned to eliminate duplicates Z: 13 8.472 1.789 0.469 0.707 0.917 0.667 CB 0.841 13 residues pruned to eliminate duplicates Z: 36 21.634 1.804 0.677 0.678 0.943 0.686 CB 1.088 36 residues pruned to eliminate duplicates Z: 14 14.735 1.631 1.070 0.907 0.923 0.846 CB 0.932 14 residues pruned to eliminate duplicates Z: 7 3.802 1.478 0.624 0.389 0.667 0.333 CB 1.091 Z: 7 9.849 1.776 0.762 0.818 0.833 0.833 CB 1.169 7 residues pruned to eliminate duplicates 737 residues left after pruning, divided into chains as follows: A: 14 B: 6 C: 8 D: 68 E: 50 F: 27 G: 10 H: 74 I: 53 J: 40 K: 12 L: 6 M: 7 N: 12 O: 37 P: 6 Q: 15 R: 19 S: 9 T: 100 U: 6 V: 58 W: 8 X: 7 Y: 11 Z: 6 Z: 10 Z: 16 Z: 32 Z: 10 CC for partial structure against native data = 37.96 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.477, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.551, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.656, Connect. = 0.770 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.678, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.682, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.686, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.688, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.689, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.689, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3174 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 781 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 26.505 1.935 0.591 0.903 1.000 0.812 CA 1.534 B: 15 28.028 1.971 0.777 0.929 1.000 0.786 CB 1.497 C: 19 20.774 1.800 0.488 0.832 0.944 0.611 CA 1.453 19 residues pruned to eliminate duplicates D: 35 12.365 1.751 0.377 0.398 0.853 0.559 CB 1.149 E: 19 20.951 1.731 0.575 0.899 1.000 0.833 CB 1.295 19 residues pruned to eliminate duplicates F: 46 31.515 1.910 0.655 0.584 1.000 0.711 CB 1.371 G: 26 18.909 1.796 0.787 0.619 0.920 0.520 CB 1.144 H: 41 25.355 2.118 0.609 0.367 0.925 0.600 CB 1.468 I: 18 27.501 1.952 0.883 0.863 1.000 0.706 CB 1.331 J: 36 33.172 1.969 0.717 0.744 0.971 0.714 CB 1.373 16 residues pruned to eliminate duplicates K: 15 19.415 1.956 0.758 0.664 0.929 0.643 CB 1.397 L: 16 24.045 1.910 0.549 0.926 1.000 0.733 CA 1.471 15 residues pruned to eliminate duplicates M: 13 10.199 1.895 0.395 0.367 1.000 0.667 CB 1.284 13 residues pruned to eliminate duplicates N: 37 21.937 2.032 0.518 0.385 0.944 0.639 CB 1.418 37 residues pruned to eliminate duplicates O: 47 26.135 1.896 0.542 0.599 0.935 0.565 CB 1.282 37 residues pruned to eliminate duplicates P: 36 28.384 1.923 0.879 0.636 0.914 0.600 CB 1.279 Q: 21 22.390 1.986 0.670 0.736 1.000 0.750 CB 1.221 21 residues pruned to eliminate duplicates R: 60 26.338 1.916 0.658 0.468 0.864 0.458 CB 1.289 17 residues pruned to eliminate duplicates S: 17 17.671 1.896 0.291 0.903 0.938 0.875 CB 1.372 T: 11 18.968 1.859 0.708 0.867 1.000 0.900 CB 1.382 U: 16 18.156 1.934 0.154 0.924 1.000 1.000 CA 1.474 17 residues pruned to eliminate duplicates V: 8 13.181 1.727 0.775 0.890 0.857 0.857 N 1.364 8 residues pruned to eliminate duplicates W: 25 11.805 1.949 0.557 0.285 0.833 0.583 CB 1.213 12 residues pruned to eliminate duplicates X: 17 23.388 1.885 0.526 0.924 1.000 0.875 CB 1.427 17 residues pruned to eliminate duplicates Y: 8 11.803 1.928 0.507 0.804 0.857 0.571 CA 1.374 8 residues pruned to eliminate duplicates Z: 37 23.627 2.073 0.876 0.322 0.833 0.528 CB 1.478 37 residues pruned to eliminate duplicates Z: 18 27.671 2.007 0.742 0.882 1.000 0.647 CA 1.389 18 residues pruned to eliminate duplicates Z: 12 2.998 1.805 0.172 0.245 0.818 0.273 CB 0.701 12 residues pruned to eliminate duplicates Z: 46 24.829 2.068 0.606 0.346 0.911 0.600 CB 1.445 40 residues pruned to eliminate duplicates Z: 19 24.064 1.878 0.669 0.881 1.000 0.778 CA 1.310 19 residues pruned to eliminate duplicates Z: 16 21.911 1.977 0.962 0.935 1.000 0.600 CB 1.016 Z: 10 6.964 1.815 0.131 0.436 1.000 0.889 CB 1.208 Z: 6 4.819 2.053 0.169 0.409 0.600 0.400 N 1.645 Z: 19 19.499 1.960 0.488 0.845 0.833 0.667 CB 1.406 19 residues pruned to eliminate duplicates Z: 34 29.656 1.972 0.833 0.674 0.879 0.667 CB 1.384 34 residues pruned to eliminate duplicates Z: 6 6.999 1.621 0.809 0.500 1.000 1.000 O 1.068 Z: 19 24.974 1.915 0.735 0.858 0.944 0.667 CB 1.381 19 residues pruned to eliminate duplicates Z: 45 21.026 2.014 0.616 0.306 0.841 0.591 CB 1.437 45 residues pruned to eliminate duplicates Z: 35 26.969 1.916 0.765 0.696 0.971 0.765 CB 1.178 18 residues pruned to eliminate duplicates Z: 15 16.927 1.936 0.126 0.853 1.000 0.857 CB 1.534 15 residues pruned to eliminate duplicates Z: 35 18.173 2.027 0.603 0.329 0.794 0.500 CB 1.458 35 residues pruned to eliminate duplicates Z: 31 20.175 1.930 0.534 0.597 0.933 0.733 CB 1.216 Z: 11 16.739 1.851 0.587 0.673 1.000 0.500 CB 1.536 10 residues pruned to eliminate duplicates Z: 20 24.161 1.993 0.593 0.783 0.947 0.684 CA 1.437 19 residues pruned to eliminate duplicates Z: 19 26.285 1.938 0.713 0.896 1.000 0.667 CB 1.336 19 residues pruned to eliminate duplicates Z: 25 16.057 1.789 0.665 0.480 0.875 0.542 CB 1.283 Z: 13 12.458 1.735 0.378 0.880 1.000 0.667 CB 1.090 12 residues pruned to eliminate duplicates Z: 30 21.209 1.866 0.568 0.540 0.931 0.655 CA 1.390 30 residues pruned to eliminate duplicates Z: 17 26.951 1.884 0.905 0.888 0.938 0.812 CB 1.443 16 residues pruned to eliminate duplicates Z: 14 12.686 2.020 0.365 0.424 0.846 0.308 CB 1.632 Z: 11 9.220 1.711 0.177 0.832 1.000 0.800 CB 1.086 11 residues pruned to eliminate duplicates Z: 11 16.756 1.665 0.933 0.746 1.000 0.700 O 1.321 Z: 12 19.865 1.775 0.788 0.788 1.000 0.727 O 1.465 11 residues pruned to eliminate duplicates Z: 11 10.947 1.838 0.660 0.536 0.800 0.600 CB 1.369 11 residues pruned to eliminate duplicates Z: 17 21.886 1.980 0.839 0.893 1.000 0.750 CB 1.079 17 residues pruned to eliminate duplicates Z: 18 30.142 1.998 0.887 0.873 1.000 0.882 CA 1.413 18 residues pruned to eliminate duplicates Z: 10 18.143 1.945 0.765 0.736 0.889 0.667 CA 1.603 10 residues pruned to eliminate duplicates Z: 16 22.149 1.894 0.472 0.928 1.000 0.667 CA 1.437 16 residues pruned to eliminate duplicates Z: 35 26.139 2.106 0.733 0.376 0.971 0.647 CB 1.446 35 residues pruned to eliminate duplicates Z: 46 19.534 1.890 0.625 0.343 0.867 0.533 CB 1.297 46 residues pruned to eliminate duplicates Z: 9 14.985 1.828 0.677 0.906 1.000 1.000 CB 1.229 10 residues pruned to eliminate duplicates Z: 8 12.394 1.892 0.889 0.795 1.000 0.857 CB 1.012 Z: 17 22.708 1.914 0.577 0.897 0.938 0.750 CB 1.436 17 residues pruned to eliminate duplicates Z: 32 32.634 1.879 0.887 0.745 0.935 0.742 CB 1.419 32 residues pruned to eliminate duplicates Z: 18 22.423 1.887 0.693 0.900 0.941 0.765 CB 1.292 18 residues pruned to eliminate duplicates Z: 15 19.855 1.935 0.774 0.933 0.857 0.857 CB 1.258 Z: 11 12.000 1.760 0.691 0.606 0.800 0.700 CA 1.441 9 residues pruned to eliminate duplicates Z: 50 33.316 1.951 0.687 0.558 0.959 0.694 CB 1.425 52 residues pruned to eliminate duplicates Z: 19 19.831 1.855 0.698 0.596 0.889 0.611 CB 1.523 19 residues pruned to eliminate duplicates Z: 11 16.691 1.980 0.761 0.606 0.900 0.600 CA 1.521 11 residues pruned to eliminate duplicates Z: 52 31.007 1.909 0.579 0.581 0.961 0.667 CB 1.386 52 residues pruned to eliminate duplicates Z: 15 18.811 1.889 0.760 0.909 0.929 0.714 CB 1.156 15 residues pruned to eliminate duplicates Z: 9 6.512 1.826 0.494 0.412 0.750 0.625 CB 1.234 4 residues pruned to eliminate duplicates Z: 19 34.164 1.929 1.120 0.879 1.000 0.444 CB 1.427 19 residues pruned to eliminate duplicates Z: 17 25.352 1.956 0.601 0.916 1.000 0.750 CA 1.430 17 residues pruned to eliminate duplicates Z: 15 8.050 1.776 0.309 0.460 0.929 0.429 CB 1.037 15 residues pruned to eliminate duplicates Z: 28 36.162 1.970 0.843 0.809 1.000 0.815 CB 1.465 29 residues pruned to eliminate duplicates Z: 20 21.988 1.796 0.533 0.858 1.000 0.842 CB 1.349 9 residues pruned to eliminate duplicates Z: 26 19.790 2.064 0.538 0.329 1.000 0.560 CB 1.505 26 residues pruned to eliminate duplicates Z: 40 27.070 1.848 0.830 0.681 0.923 0.692 CB 1.176 40 residues pruned to eliminate duplicates Z: 33 14.803 1.825 0.387 0.444 0.906 0.594 CB 1.208 20 residues pruned to eliminate duplicates Z: 18 10.871 1.876 0.271 0.522 0.882 0.588 CB 1.227 20 residues pruned to eliminate duplicates Z: 6 3.012 1.523 1.018 0.560 0.600 0.400 N 0.689 Z: 31 21.941 1.884 0.710 0.570 0.833 0.533 CB 1.394 31 residues pruned to eliminate duplicates Z: 27 28.439 2.001 0.758 0.763 0.885 0.731 CB 1.420 27 residues pruned to eliminate duplicates Z: 12 19.052 1.939 0.747 0.889 1.000 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 51 29.777 1.915 0.650 0.560 0.960 0.760 CB 1.310 51 residues pruned to eliminate duplicates Z: 15 20.543 1.850 0.581 0.915 0.929 0.929 CA 1.429 Z: 21 19.247 1.901 0.573 0.707 1.000 0.700 CB 1.193 21 residues pruned to eliminate duplicates Z: 18 10.643 1.697 0.610 0.462 0.765 0.471 CB 1.284 Z: 9 15.844 1.894 0.829 0.774 1.000 0.750 N 1.269 5 residues pruned to eliminate duplicates Z: 17 27.289 2.049 0.796 0.893 0.938 0.750 CA 1.420 17 residues pruned to eliminate duplicates Z: 8 7.650 1.664 0.397 0.740 0.857 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 9 12.794 1.794 0.866 0.562 1.000 0.625 N 1.272 11 residues pruned to eliminate duplicates Z: 19 29.901 1.958 1.053 0.879 0.944 0.778 CB 1.346 19 residues pruned to eliminate duplicates Z: 42 17.514 1.943 0.654 0.326 0.878 0.439 CB 1.174 42 residues pruned to eliminate duplicates Z: 38 26.203 1.948 0.685 0.600 0.946 0.595 CB 1.261 38 residues pruned to eliminate duplicates Z: 13 22.510 1.959 0.861 0.892 0.917 0.750 CB 1.396 13 residues pruned to eliminate duplicates Z: 32 24.683 1.979 0.585 0.687 0.871 0.742 CB 1.367 32 residues pruned to eliminate duplicates Z: 16 24.634 2.023 0.655 0.836 0.933 0.667 CB 1.523 16 residues pruned to eliminate duplicates Z: 17 21.424 1.971 0.529 0.902 0.875 0.688 CA 1.449 17 residues pruned to eliminate duplicates Z: 13 13.926 1.775 0.513 0.889 0.917 0.667 CB 1.175 13 residues pruned to eliminate duplicates Z: 8 5.468 1.759 0.696 0.445 0.857 0.286 CB 0.855 8 residues pruned to eliminate duplicates Z: 9 10.257 1.650 0.447 0.864 1.000 1.000 CB 1.113 Z: 17 22.398 1.895 0.532 0.884 0.938 0.938 CB 1.487 17 residues pruned to eliminate duplicates Z: 32 16.382 1.838 0.551 0.533 0.871 0.548 CB 1.147 32 residues pruned to eliminate duplicates Z: 9 8.347 1.846 0.558 0.516 0.750 0.750 CA 1.348 9 residues pruned to eliminate duplicates Z: 16 24.927 1.815 0.776 0.908 1.000 0.667 CA 1.418 15 residues pruned to eliminate duplicates Z: 33 18.504 1.751 0.684 0.565 0.875 0.625 CB 1.191 33 residues pruned to eliminate duplicates Z: 20 12.718 1.836 0.591 0.315 0.947 0.421 CB 1.294 20 residues pruned to eliminate duplicates Z: 13 5.228 1.427 0.382 0.397 0.917 0.667 N 0.930 Z: 24 19.282 1.876 0.701 0.563 0.957 0.739 CB 1.239 24 residues pruned to eliminate duplicates Z: 20 22.557 1.920 0.638 0.861 1.000 0.789 CA 1.209 20 residues pruned to eliminate duplicates Z: 10 22.854 1.996 1.074 0.909 0.889 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 19 25.823 1.942 0.821 0.890 0.944 0.833 CA 1.311 19 residues pruned to eliminate duplicates Z: 10 10.979 1.566 0.727 0.788 1.000 0.667 CA 1.051 Z: 19 18.820 1.827 0.482 0.845 0.944 0.722 CB 1.290 19 residues pruned to eliminate duplicates Z: 15 20.563 1.923 0.772 0.921 0.929 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 37 16.185 1.980 0.513 0.343 0.861 0.528 CB 1.240 37 residues pruned to eliminate duplicates Z: 8 6.031 1.584 0.327 0.433 0.857 0.571 CA 1.357 Z: 6 4.891 1.805 0.302 0.604 0.600 0.400 CB 1.406 Z: 15 25.475 1.913 0.821 0.890 1.000 0.929 CA 1.407 16 residues pruned to eliminate duplicates Z: 20 17.458 1.777 0.498 0.762 0.947 0.632 CB 1.259 20 residues pruned to eliminate duplicates Z: 17 11.650 1.810 0.462 0.444 0.938 0.688 CB 1.244 9 residues pruned to eliminate duplicates Z: 15 22.576 1.863 0.901 0.873 0.929 0.714 CA 1.336 15 residues pruned to eliminate duplicates Z: 21 26.938 1.995 0.612 0.797 1.000 0.800 CA 1.444 20 residues pruned to eliminate duplicates Z: 19 28.919 1.965 0.915 0.895 0.944 0.667 CB 1.375 19 residues pruned to eliminate duplicates Z: 15 21.744 2.055 0.643 0.929 1.000 1.000 CB 1.204 15 residues pruned to eliminate duplicates Z: 27 14.371 2.083 0.618 0.299 0.923 0.538 CB 1.134 27 residues pruned to eliminate duplicates Z: 17 25.029 1.919 0.680 0.903 1.000 0.812 CB 1.383 17 residues pruned to eliminate duplicates Z: 14 17.479 1.945 0.553 0.886 0.923 0.692 CB 1.254 14 residues pruned to eliminate duplicates Z: 19 31.629 1.977 0.833 0.894 1.000 0.889 CB 1.476 19 residues pruned to eliminate duplicates Z: 22 13.217 1.889 0.399 0.420 1.000 0.762 CA 1.186 22 residues pruned to eliminate duplicates Z: 17 26.596 1.990 0.826 0.876 0.938 0.625 CA 1.418 17 residues pruned to eliminate duplicates Z: 9 15.632 1.733 0.691 0.918 1.000 0.875 CB 1.330 Z: 17 29.331 1.958 0.720 0.883 1.000 0.500 CB 1.573 17 residues pruned to eliminate duplicates Z: 26 12.390 1.900 0.503 0.481 0.880 0.560 CB 1.005 26 residues pruned to eliminate duplicates Z: 10 19.907 1.827 0.850 0.894 1.000 1.000 CA 1.409 10 residues pruned to eliminate duplicates Z: 15 18.230 1.819 0.765 0.605 0.929 0.643 CB 1.479 13 residues pruned to eliminate duplicates Z: 18 24.203 1.962 0.805 0.823 0.941 0.765 CB 1.332 18 residues pruned to eliminate duplicates Z: 46 24.107 1.903 0.590 0.555 0.911 0.600 CB 1.235 49 residues pruned to eliminate duplicates Z: 22 16.071 1.857 0.629 0.501 0.952 0.619 CB 1.217 16 residues pruned to eliminate duplicates Z: 9 7.759 1.658 0.496 0.847 1.000 1.000 CA 0.821 9 residues pruned to eliminate duplicates Z: 8 4.986 1.550 0.410 0.438 0.714 0.714 CA 1.286 8 residues pruned to eliminate duplicates Z: 20 16.844 1.763 0.444 0.871 0.947 0.842 CB 1.169 20 residues pruned to eliminate duplicates Z: 13 16.452 1.775 0.789 0.680 1.000 0.750 CB 1.267 13 residues pruned to eliminate duplicates Z: 42 24.589 2.074 0.622 0.346 0.878 0.659 CB 1.537 42 residues pruned to eliminate duplicates Z: 17 20.614 1.985 0.653 0.900 1.000 0.625 CB 1.122 16 residues pruned to eliminate duplicates Z: 6 3.099 1.726 0.586 0.356 0.600 0.600 CB 0.986 Z: 25 23.175 1.918 0.690 0.732 0.958 0.625 CB 1.235 25 residues pruned to eliminate duplicates Z: 9 7.452 1.922 0.274 0.422 0.750 0.625 N 1.556 9 residues pruned to eliminate duplicates Z: 16 10.986 1.868 0.322 0.496 1.000 0.400 CB 1.153 16 residues pruned to eliminate duplicates Z: 7 3.744 1.440 0.167 0.704 1.000 0.333 CA 0.756 7 residues pruned to eliminate duplicates Z: 29 12.588 1.822 0.460 0.473 0.893 0.536 CB 1.029 29 residues pruned to eliminate duplicates Z: 25 13.134 1.815 0.520 0.413 0.917 0.667 CB 1.162 24 residues pruned to eliminate duplicates Z: 18 25.638 1.950 0.624 0.872 1.000 0.824 CB 1.431 18 residues pruned to eliminate duplicates Z: 18 18.836 1.947 0.280 0.896 1.000 0.941 CA 1.313 18 residues pruned to eliminate duplicates Z: 18 26.624 1.997 0.762 0.904 0.941 0.765 CB 1.389 18 residues pruned to eliminate duplicates Z: 10 15.808 1.981 0.706 0.902 0.889 0.556 CB 1.251 10 residues pruned to eliminate duplicates Z: 19 16.818 1.724 1.008 0.626 0.778 0.722 N 1.308 18 residues pruned to eliminate duplicates Z: 9 10.595 1.626 0.724 0.870 0.875 0.750 CA 1.115 9 residues pruned to eliminate duplicates Z: 10 12.914 1.761 0.618 0.489 1.000 0.667 O 1.528 10 residues pruned to eliminate duplicates Z: 26 16.732 1.868 0.451 0.654 0.880 0.680 CB 1.216 26 residues pruned to eliminate duplicates Z: 11 10.056 1.884 0.231 0.613 0.900 0.800 CB 1.369 11 residues pruned to eliminate duplicates Z: 22 18.790 1.890 0.720 0.513 0.952 0.524 CB 1.308 22 residues pruned to eliminate duplicates Z: 10 11.183 1.677 0.779 0.599 0.889 0.778 CB 1.279 3 residues pruned to eliminate duplicates Z: 16 19.921 1.826 0.615 0.904 0.933 0.867 CA 1.332 15 residues pruned to eliminate duplicates Z: 20 18.638 1.806 0.412 0.850 0.947 0.895 CA 1.311 20 residues pruned to eliminate duplicates Z: 35 16.145 2.027 0.500 0.287 0.882 0.529 CB 1.312 35 residues pruned to eliminate duplicates Z: 16 17.321 1.975 0.428 0.919 1.000 0.933 CB 1.118 16 residues pruned to eliminate duplicates Z: 16 21.307 1.826 0.734 0.918 1.000 0.667 CA 1.226 16 residues pruned to eliminate duplicates Z: 22 15.595 1.752 0.814 0.614 0.905 0.571 CB 1.062 22 residues pruned to eliminate duplicates Z: 7 7.752 1.892 0.492 0.414 1.000 0.667 CB 1.226 Z: 15 22.965 1.947 0.635 0.934 0.929 0.857 CA 1.448 15 residues pruned to eliminate duplicates Z: 8 2.498 1.547 0.629 0.235 0.571 0.286 CB 0.893 8 residues pruned to eliminate duplicates Z: 9 8.771 1.748 0.299 0.879 1.000 0.875 CB 0.991 9 residues pruned to eliminate duplicates Z: 10 9.387 1.462 0.821 0.819 0.889 0.556 CB 1.003 Z: 18 14.478 1.907 0.888 0.387 0.824 0.706 CB 1.335 18 residues pruned to eliminate duplicates Z: 13 4.618 1.595 0.537 0.295 0.667 0.500 N 1.026 Z: 16 24.312 1.966 0.570 0.887 1.000 0.600 CA 1.466 16 residues pruned to eliminate duplicates Z: 36 24.376 1.852 0.700 0.652 0.857 0.657 CB 1.326 36 residues pruned to eliminate duplicates Z: 8 4.593 1.796 -0.205 0.721 0.857 0.857 CB 1.162 Z: 12 9.067 1.640 0.494 0.718 0.909 0.636 CB 1.008 12 residues pruned to eliminate duplicates Z: 10 8.702 1.528 0.287 0.724 1.000 0.556 CB 1.205 Z: 13 8.172 1.669 0.659 0.409 0.750 0.583 N 1.249 13 residues pruned to eliminate duplicates Z: 6 7.014 1.548 0.501 0.800 1.000 0.800 CA 1.038 Z: 25 8.969 1.692 0.309 0.377 0.875 0.458 CB 1.077 25 residues pruned to eliminate duplicates Z: 35 14.714 1.843 0.409 0.422 0.882 0.588 CB 1.195 27 residues pruned to eliminate duplicates Z: 18 15.817 1.744 0.814 0.645 0.941 0.588 CB 1.125 18 residues pruned to eliminate duplicates Z: 7 5.078 1.771 0.144 0.572 1.000 0.667 CB 0.954 Z: 12 18.000 1.798 0.961 0.848 1.000 0.818 CB 1.142 11 residues pruned to eliminate duplicates Z: 6 7.771 1.708 0.120 0.726 1.000 0.800 CA 1.482 6 residues pruned to eliminate duplicates Z: 59 22.859 1.927 0.605 0.349 0.879 0.500 CB 1.301 68 residues pruned to eliminate duplicates Z: 15 14.927 1.764 0.465 0.920 1.000 0.857 CB 1.087 15 residues pruned to eliminate duplicates Z: 17 10.736 1.722 0.667 0.436 0.750 0.438 CB 1.331 13 residues pruned to eliminate duplicates Z: 35 29.137 1.845 0.647 0.756 0.941 0.618 CB 1.392 23 residues pruned to eliminate duplicates Z: 8 8.390 1.786 0.288 0.864 1.000 0.857 CB 1.011 8 residues pruned to eliminate duplicates Z: 15 5.338 1.700 0.080 0.376 0.857 0.571 CB 1.035 Z: 8 7.196 1.395 0.740 0.834 1.000 0.714 CA 0.840 8 residues pruned to eliminate duplicates Z: 6 2.623 1.497 0.044 0.526 0.800 0.600 N 0.914 Z: 24 28.253 1.927 0.610 0.773 1.000 0.739 CB 1.491 24 residues pruned to eliminate duplicates Z: 17 24.366 1.953 0.532 0.846 0.938 0.688 CA 1.614 17 residues pruned to eliminate duplicates Z: 10 9.656 1.509 0.687 0.717 0.889 0.778 O 1.169 10 residues pruned to eliminate duplicates Z: 74 32.656 1.924 0.620 0.561 0.932 0.562 CB 1.241 73 residues pruned to eliminate duplicates Z: 6 7.690 1.458 0.844 0.804 1.000 0.800 CB 0.981 Z: 15 13.815 1.773 0.333 0.886 1.000 0.714 CB 1.127 15 residues pruned to eliminate duplicates Z: 31 28.079 2.008 0.875 0.660 0.900 0.667 CB 1.304 31 residues pruned to eliminate duplicates Z: 9 12.341 1.734 0.401 0.868 1.000 0.750 CB 1.312 9 residues pruned to eliminate duplicates Z: 8 2.273 1.533 0.113 0.285 0.571 0.286 CB 1.122 Z: 15 23.514 1.905 0.725 0.882 0.929 0.929 CA 1.490 15 residues pruned to eliminate duplicates Z: 8 7.665 1.638 0.287 0.591 1.000 0.714 CA 1.260 8 residues pruned to eliminate duplicates Z: 47 26.766 1.887 0.572 0.614 0.978 0.587 CB 1.220 47 residues pruned to eliminate duplicates Z: 23 17.765 1.850 0.700 0.425 0.955 0.409 CB 1.364 23 residues pruned to eliminate duplicates Z: 9 17.876 2.162 0.810 0.651 1.000 0.875 CA 1.404 11 residues pruned to eliminate duplicates Z: 10 10.942 1.743 0.744 0.638 0.889 0.444 N 1.186 10 residues pruned to eliminate duplicates Z: 41 17.211 1.825 0.386 0.525 0.950 0.725 CB 1.105 41 residues pruned to eliminate duplicates Z: 18 15.711 1.816 0.813 0.647 0.882 0.706 CB 1.143 18 residues pruned to eliminate duplicates Z: 39 23.296 2.114 0.661 0.365 0.895 0.658 CB 1.390 39 residues pruned to eliminate duplicates Z: 17 22.876 1.899 0.543 0.878 1.000 0.562 CB 1.417 17 residues pruned to eliminate duplicates Z: 18 19.342 1.927 0.602 0.871 0.941 0.882 CB 1.178 18 residues pruned to eliminate duplicates Z: 19 26.297 1.971 0.642 0.869 1.000 0.833 CA 1.399 19 residues pruned to eliminate duplicates Z: 20 19.717 1.757 0.508 0.862 1.000 0.842 CA 1.254 20 residues pruned to eliminate duplicates Z: 11 10.849 1.639 0.695 0.727 0.900 0.400 CB 1.118 11 residues pruned to eliminate duplicates Z: 20 19.162 1.797 0.540 0.831 0.947 0.895 CB 1.260 20 residues pruned to eliminate duplicates Z: 21 16.133 1.819 0.617 0.668 0.850 0.750 CB 1.235 21 residues pruned to eliminate duplicates Z: 19 25.976 1.896 0.875 0.831 0.944 0.722 CB 1.371 19 residues pruned to eliminate duplicates Z: 18 19.221 1.723 0.574 0.872 1.000 0.824 CA 1.254 18 residues pruned to eliminate duplicates Z: 8 3.894 1.440 0.675 0.378 0.714 0.571 N 0.973 8 residues pruned to eliminate duplicates Z: 10 11.840 1.699 0.495 0.683 1.000 0.778 CA 1.313 10 residues pruned to eliminate duplicates Z: 14 16.117 1.744 0.681 0.646 1.000 0.769 N 1.331 14 residues pruned to eliminate duplicates Z: 21 11.065 1.912 0.348 0.422 0.850 0.750 CA 1.224 21 residues pruned to eliminate duplicates Z: 8 17.025 1.843 0.671 0.906 1.000 1.000 CB 1.486 9 residues pruned to eliminate duplicates Z: 6 9.424 1.924 0.343 0.673 1.000 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 9 6.881 1.692 0.224 0.743 1.000 0.625 CB 0.945 Z: 8 12.597 1.709 0.522 0.864 1.000 0.857 CA 1.341 8 residues pruned to eliminate duplicates Z: 14 6.314 1.511 0.346 0.414 0.923 0.615 CB 1.020 Z: 19 24.865 1.841 0.787 0.897 0.944 0.722 CB 1.350 19 residues pruned to eliminate duplicates Z: 21 22.586 1.898 0.578 0.814 1.000 0.650 CA 1.283 21 residues pruned to eliminate duplicates Z: 31 15.195 1.829 0.412 0.375 0.867 0.500 CB 1.417 24 residues pruned to eliminate duplicates Z: 25 18.006 2.043 0.548 0.400 0.958 0.542 CB 1.347 25 residues pruned to eliminate duplicates Z: 8 3.733 1.499 0.509 0.400 0.714 0.429 CB 0.970 8 residues pruned to eliminate duplicates Z: 25 13.892 1.784 0.771 0.503 0.750 0.542 CB 1.192 25 residues pruned to eliminate duplicates Z: 16 12.148 1.877 0.325 0.485 0.933 0.600 CB 1.373 16 residues pruned to eliminate duplicates Z: 20 31.849 1.939 1.016 0.901 0.947 0.789 CB 1.408 20 residues pruned to eliminate duplicates Z: 21 25.667 1.849 0.997 0.847 0.900 0.500 CB 1.283 21 residues pruned to eliminate duplicates Z: 15 7.844 1.867 0.126 0.379 0.786 0.357 CB 1.445 15 residues pruned to eliminate duplicates Z: 13 12.825 1.857 0.848 0.575 0.833 0.583 N 1.204 13 residues pruned to eliminate duplicates Z: 13 18.259 1.916 0.597 0.908 1.000 1.000 CA 1.224 13 residues pruned to eliminate duplicates Z: 7 4.937 1.650 0.432 0.500 0.667 0.500 N 1.279 Z: 31 18.471 1.770 0.698 0.522 0.933 0.500 CB 1.175 31 residues pruned to eliminate duplicates Z: 31 18.768 1.795 0.766 0.567 0.900 0.600 CB 1.125 68 residues pruned to eliminate duplicates Z: 9 6.040 1.525 0.534 0.620 0.875 0.750 CB 0.931 9 residues pruned to eliminate duplicates Z: 8 12.847 1.748 0.957 0.835 1.000 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 14 5.404 1.656 0.273 0.310 0.846 0.538 CB 1.038 6 residues pruned to eliminate duplicates Z: 10 6.883 1.668 0.523 0.376 0.778 0.667 N 1.325 10 residues pruned to eliminate duplicates Z: 11 11.138 1.452 0.618 0.814 1.000 1.000 CB 1.141 10 residues pruned to eliminate duplicates Z: 9 10.903 1.825 0.413 0.846 1.000 1.000 CB 1.110 9 residues pruned to eliminate duplicates Z: 8 11.045 1.698 0.660 0.836 1.000 0.714 CB 1.109 8 residues pruned to eliminate duplicates Z: 14 15.043 2.002 0.683 0.463 0.923 0.923 CB 1.394 14 residues pruned to eliminate duplicates Z: 11 8.575 1.652 0.777 0.453 0.800 0.500 CB 1.212 11 residues pruned to eliminate duplicates Z: 16 22.567 1.946 0.762 0.897 0.933 0.600 CB 1.304 16 residues pruned to eliminate duplicates Z: 37 11.860 1.776 0.605 0.303 0.806 0.361 CB 1.072 37 residues pruned to eliminate duplicates Z: 17 17.568 1.851 0.375 0.872 0.875 0.875 CB 1.437 17 residues pruned to eliminate duplicates Z: 9 9.140 1.689 0.474 0.839 0.875 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 14 9.788 1.830 0.742 0.389 0.692 0.538 N 1.383 14 residues pruned to eliminate duplicates Z: 22 16.242 1.757 0.775 0.520 0.905 0.476 CB 1.232 22 residues pruned to eliminate duplicates Z: 7 10.861 1.915 0.237 0.790 1.000 0.833 CB 1.451 Z: 13 15.151 1.900 0.539 0.864 0.917 0.750 CA 1.197 13 residues pruned to eliminate duplicates Z: 14 10.578 1.605 0.652 0.565 0.846 0.615 O 1.228 14 residues pruned to eliminate duplicates Z: 24 12.684 1.730 0.686 0.480 0.826 0.478 CB 1.120 24 residues pruned to eliminate duplicates Z: 19 17.875 1.980 0.819 0.419 0.833 0.500 CA 1.527 19 residues pruned to eliminate duplicates Z: 19 9.579 1.678 0.409 0.444 0.833 0.500 CB 1.213 Z: 16 15.062 1.851 0.618 0.608 0.933 0.733 CB 1.255 16 residues pruned to eliminate duplicates Z: 13 9.686 1.694 0.465 0.536 0.833 0.500 N 1.306 Z: 6 2.168 1.269 0.374 0.455 0.800 0.200 O 0.728 Z: 26 13.322 1.880 0.475 0.390 0.840 0.480 CB 1.286 Z: 8 10.669 1.782 0.743 0.661 0.857 0.857 CB 1.304 8 residues pruned to eliminate duplicates Z: 16 19.615 2.008 0.428 0.868 0.933 0.800 CA 1.383 16 residues pruned to eliminate duplicates Z: 20 27.000 1.906 0.701 0.894 1.000 0.895 CA 1.371 20 residues pruned to eliminate duplicates Z: 8 11.748 1.709 0.370 0.893 1.000 1.000 CA 1.362 8 residues pruned to eliminate duplicates Z: 9 11.930 1.988 0.573 0.341 1.000 0.875 CA 1.604 9 residues pruned to eliminate duplicates Z: 8 3.248 1.734 0.023 0.246 0.714 0.429 CB 1.298 Z: 6 7.991 1.501 0.799 0.799 1.000 0.600 CA 1.018 Z: 11 4.686 1.573 0.019 0.540 0.800 0.600 N 1.110 Z: 16 26.094 1.960 0.683 0.937 1.000 0.933 CB 1.422 16 residues pruned to eliminate duplicates Z: 17 12.072 1.714 0.633 0.708 0.812 0.500 CB 1.098 15 residues pruned to eliminate duplicates Z: 13 13.727 1.769 0.732 0.574 1.000 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 8 9.775 1.850 0.354 0.882 1.000 1.000 CB 1.067 8 residues pruned to eliminate duplicates Z: 11 11.578 2.000 0.445 0.496 0.900 0.600 CB 1.414 11 residues pruned to eliminate duplicates Z: 8 10.480 1.579 0.439 0.852 1.000 0.571 CB 1.290 8 residues pruned to eliminate duplicates Z: 19 24.398 1.826 0.794 0.880 0.944 0.722 CB 1.346 19 residues pruned to eliminate duplicates Z: 16 14.973 1.872 0.792 0.545 0.867 0.533 CA 1.272 16 residues pruned to eliminate duplicates Z: 9 8.899 1.798 0.236 0.554 1.000 0.750 N 1.342 9 residues pruned to eliminate duplicates Z: 8 6.527 1.565 0.348 0.520 0.857 0.857 CB 1.338 6 residues pruned to eliminate duplicates Z: 18 11.541 1.754 0.446 0.376 0.882 0.647 CB 1.428 19 residues pruned to eliminate duplicates Z: 17 20.122 1.967 0.717 0.888 1.000 0.812 CB 1.073 17 residues pruned to eliminate duplicates Z: 17 18.688 1.729 0.793 0.635 0.938 0.562 CB 1.416 Z: 20 18.470 1.782 0.383 0.872 1.000 0.895 CA 1.253 20 residues pruned to eliminate duplicates Z: 13 6.401 1.789 0.281 0.365 0.917 0.583 CA 1.017 13 residues pruned to eliminate duplicates Z: 15 12.943 1.702 0.440 0.878 0.929 0.786 CB 1.102 15 residues pruned to eliminate duplicates Z: 9 8.584 1.636 0.850 0.508 1.000 0.500 CA 0.994 9 residues pruned to eliminate duplicates Z: 8 9.012 1.675 0.776 0.515 0.857 0.571 CA 1.316 8 residues pruned to eliminate duplicates Z: 11 17.349 1.814 0.815 0.824 1.000 0.900 CB 1.259 11 residues pruned to eliminate duplicates Z: 16 23.121 2.004 0.528 0.889 0.933 0.800 CB 1.504 16 residues pruned to eliminate duplicates Z: 13 13.814 1.738 0.827 0.661 0.833 0.750 CA 1.298 11 residues pruned to eliminate duplicates Z: 6 3.926 1.358 0.437 0.448 1.000 0.400 CB 0.950 6 residues pruned to eliminate duplicates Z: 7 10.274 1.772 0.283 0.886 1.000 1.000 CB 1.331 7 residues pruned to eliminate duplicates Z: 15 21.332 1.837 0.630 0.909 1.000 0.929 CA 1.351 15 residues pruned to eliminate duplicates Z: 9 9.984 1.558 0.410 0.826 1.000 0.750 CA 1.212 8 residues pruned to eliminate duplicates Z: 11 9.333 1.748 0.235 0.587 1.000 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 16 18.605 1.780 0.646 0.898 0.933 0.933 CA 1.256 16 residues pruned to eliminate duplicates Z: 15 26.432 1.993 0.813 0.941 1.000 0.857 CB 1.357 15 residues pruned to eliminate duplicates Z: 72 41.468 1.916 0.790 0.624 0.958 0.732 CB 1.333 72 residues pruned to eliminate duplicates Z: 13 3.971 1.389 0.497 0.303 0.750 0.417 N 0.916 Z: 11 3.368 1.591 0.091 0.459 0.700 0.600 CB 0.914 11 residues pruned to eliminate duplicates Z: 15 8.163 1.601 0.636 0.383 0.857 0.429 CB 1.100 Z: 16 22.157 1.774 0.836 0.885 1.000 0.600 CB 1.269 16 residues pruned to eliminate duplicates Z: 11 13.028 1.570 0.717 0.822 0.900 0.500 N 1.284 11 residues pruned to eliminate duplicates Z: 14 8.436 1.737 0.371 0.540 0.846 0.692 CB 1.116 14 residues pruned to eliminate duplicates Z: 40 19.933 1.888 0.500 0.528 0.923 0.615 CB 1.188 40 residues pruned to eliminate duplicates Z: 19 20.530 1.867 0.607 0.848 0.889 0.611 CA 1.346 19 residues pruned to eliminate duplicates Z: 9 4.091 1.687 -0.027 0.393 0.750 0.750 N 1.316 9 residues pruned to eliminate duplicates Z: 13 17.251 1.821 0.854 0.912 1.000 0.917 CB 1.045 13 residues pruned to eliminate duplicates Z: 46 22.811 2.024 0.576 0.364 0.911 0.644 CB 1.354 46 residues pruned to eliminate duplicates Z: 19 25.194 1.845 0.733 0.882 1.000 0.722 CB 1.343 19 residues pruned to eliminate duplicates Z: 6 4.235 1.849 0.436 0.558 0.600 0.600 CB 1.124 Z: 18 22.019 1.931 0.635 0.870 0.882 0.647 CA 1.400 18 residues pruned to eliminate duplicates Z: 30 30.397 1.933 0.726 0.708 0.931 0.690 CB 1.504 30 residues pruned to eliminate duplicates Z: 10 5.772 1.606 0.617 0.355 0.889 0.556 CB 0.975 Z: 9 13.030 1.774 0.551 0.656 1.000 0.625 CB 1.449 Z: 10 13.892 1.685 0.709 0.887 0.889 0.444 CA 1.304 9 residues pruned to eliminate duplicates Z: 19 25.774 1.858 0.824 0.878 0.944 0.556 CB 1.378 19 residues pruned to eliminate duplicates Z: 33 14.576 1.777 0.424 0.485 0.906 0.531 CB 1.141 33 residues pruned to eliminate duplicates Z: 15 20.177 1.987 0.641 0.921 1.000 0.857 CB 1.164 15 residues pruned to eliminate duplicates Z: 17 21.318 1.817 0.974 0.819 0.875 0.625 CB 1.287 17 residues pruned to eliminate duplicates Z: 60 38.302 1.928 0.743 0.700 0.915 0.678 CB 1.351 68 residues pruned to eliminate duplicates Z: 8 8.582 1.580 0.495 0.864 1.000 0.857 CB 1.007 8 residues pruned to eliminate duplicates Z: 14 6.996 1.596 0.477 0.370 0.769 0.385 CB 1.230 10 residues pruned to eliminate duplicates Z: 31 24.061 1.975 0.608 0.734 0.967 0.833 CB 1.160 31 residues pruned to eliminate duplicates Z: 24 11.545 1.879 0.374 0.371 0.870 0.522 CB 1.231 24 residues pruned to eliminate duplicates Z: 35 27.921 1.863 0.755 0.646 0.971 0.618 CB 1.317 35 residues pruned to eliminate duplicates Z: 15 24.412 2.015 0.608 0.893 1.000 0.786 CB 1.445 15 residues pruned to eliminate duplicates Z: 12 15.569 1.725 0.705 0.633 1.000 0.636 CA 1.409 13 residues pruned to eliminate duplicates Z: 6 4.104 1.576 0.360 0.409 0.800 0.600 CA 1.177 6 residues pruned to eliminate duplicates Z: 16 15.922 1.884 0.423 0.597 1.000 0.867 CA 1.398 16 residues pruned to eliminate duplicates Z: 14 16.553 1.919 0.362 0.916 1.000 0.923 CA 1.240 14 residues pruned to eliminate duplicates Z: 7 7.046 1.720 0.441 0.797 1.000 1.000 CB 0.895 7 residues pruned to eliminate duplicates Z: 31 16.519 1.884 0.598 0.478 0.800 0.533 CB 1.281 31 residues pruned to eliminate duplicates Z: 12 13.726 1.911 0.499 0.698 1.000 0.909 CB 1.205 12 residues pruned to eliminate duplicates Z: 8 14.067 1.791 0.562 0.895 1.000 0.857 CB 1.362 15 residues pruned to eliminate duplicates Z: 9 9.335 1.621 0.652 0.639 0.875 0.500 CB 1.236 9 residues pruned to eliminate duplicates Z: 13 8.068 1.657 0.515 0.431 0.917 0.583 CB 1.087 13 residues pruned to eliminate duplicates Z: 11 8.390 1.402 0.586 0.859 0.900 0.900 N 0.976 11 residues pruned to eliminate duplicates Z: 19 20.818 1.838 0.698 0.849 0.944 0.778 CB 1.234 19 residues pruned to eliminate duplicates Z: 7 2.097 1.471 0.472 0.281 0.667 0.333 CB 0.759 Z: 9 11.106 1.688 0.742 0.790 0.875 0.625 CA 1.183 9 residues pruned to eliminate duplicates Z: 54 19.935 1.822 0.514 0.457 0.887 0.528 CB 1.169 54 residues pruned to eliminate duplicates Z: 18 12.831 1.732 0.597 0.553 0.765 0.471 CB 1.398 18 residues pruned to eliminate duplicates Z: 7 5.620 1.334 0.583 0.680 1.000 0.500 CA 0.920 7 residues pruned to eliminate duplicates Z: 8 6.990 1.316 0.626 0.892 1.000 0.571 O 0.887 8 residues pruned to eliminate duplicates Z: 10 17.288 1.855 0.819 0.814 1.000 0.778 CB 1.299 10 residues pruned to eliminate duplicates Z: 14 13.765 1.826 0.589 0.706 0.846 0.769 CB 1.290 Z: 17 18.735 1.839 0.848 0.662 0.938 0.750 CB 1.265 15 residues pruned to eliminate duplicates Z: 8 10.941 1.609 0.825 0.834 0.857 0.714 CA 1.231 8 residues pruned to eliminate duplicates Z: 19 12.962 1.709 0.424 0.656 0.889 0.611 N 1.222 17 residues pruned to eliminate duplicates Z: 12 11.099 1.722 0.468 0.580 1.000 0.455 CB 1.225 6 residues pruned to eliminate duplicates Z: 16 8.147 1.593 0.401 0.463 0.800 0.533 CB 1.224 Z: 9 11.527 1.787 0.430 0.909 1.000 1.000 CB 1.132 9 residues pruned to eliminate duplicates Z: 8 3.033 1.560 0.218 0.458 0.714 0.571 N 0.881 7 residues pruned to eliminate duplicates 6 0.997 1.681 0.125 0.312 0.600 0.400 CB 0.484 ? Z: 24 24.030 1.975 0.699 0.709 0.870 0.696 CB 1.421 24 residues pruned to eliminate duplicates Z: 7 2.164 1.223 0.029 0.442 0.833 0.667 CB 0.895 Z: 15 18.534 1.920 0.348 0.921 1.000 0.929 CA 1.347 15 residues pruned to eliminate duplicates Z: 6 3.088 1.478 -0.010 0.319 1.000 0.400 CB 1.153 Z: 10 4.463 1.525 0.517 0.278 0.778 0.333 CB 1.062 10 residues pruned to eliminate duplicates Z: 6 6.660 1.492 0.373 0.789 1.000 1.000 CB 1.128 Z: 30 17.641 1.806 0.538 0.621 0.897 0.586 CB 1.173 30 residues pruned to eliminate duplicates Z: 21 14.652 1.784 0.248 0.849 1.000 0.750 CA 1.091 21 residues pruned to eliminate duplicates Z: 9 6.052 1.841 0.745 0.306 0.750 0.500 N 1.102 9 residues pruned to eliminate duplicates Z: 22 15.652 1.851 0.546 0.440 0.905 0.667 CB 1.404 13 residues pruned to eliminate duplicates Z: 9 4.808 1.741 -0.110 0.757 1.000 0.625 CB 0.873 Z: 17 24.295 1.934 0.736 0.825 1.000 0.688 CB 1.365 17 residues pruned to eliminate duplicates Z: 10 5.798 1.747 0.036 0.485 0.778 0.444 CB 1.394 7 residues pruned to eliminate duplicates Z: 36 20.364 1.720 0.695 0.596 0.943 0.686 CB 1.143 29 residues pruned to eliminate duplicates Z: 23 12.321 1.784 0.412 0.487 0.818 0.500 CB 1.291 23 residues pruned to eliminate duplicates Z: 9 8.597 1.686 0.484 0.549 0.875 0.500 CA 1.324 9 residues pruned to eliminate duplicates Z: 11 13.698 1.649 0.724 0.700 1.000 0.900 CB 1.270 11 residues pruned to eliminate duplicates Z: 6 7.923 2.049 -0.056 0.839 1.000 0.800 CB 1.369 6 residues pruned to eliminate duplicates Z: 14 3.995 1.603 0.011 0.294 0.769 0.462 N 1.120 Z: 6 7.133 1.735 0.386 0.676 1.000 0.600 CB 1.127 6 residues pruned to eliminate duplicates Z: 8 6.832 1.642 0.174 0.834 0.857 0.857 CA 1.171 8 residues pruned to eliminate duplicates Z: 15 30.795 1.882 1.249 0.943 1.000 0.571 CB 1.347 15 residues pruned to eliminate duplicates Z: 7 5.823 1.449 0.466 0.540 1.000 0.667 N 1.076 Z: 10 5.168 1.580 0.520 0.391 0.778 0.556 CB 1.035 5 residues pruned to eliminate duplicates Z: 11 6.051 1.526 0.438 0.403 0.900 0.400 CB 1.073 11 residues pruned to eliminate duplicates Z: 20 21.350 1.766 0.774 0.875 0.947 0.684 CB 1.200 20 residues pruned to eliminate duplicates Z: 44 21.695 1.842 0.629 0.572 0.860 0.581 CB 1.195 47 residues pruned to eliminate duplicates Z: 11 4.021 1.463 0.552 0.543 0.600 0.400 CB 0.895 11 residues pruned to eliminate duplicates Z: 16 8.485 1.667 0.503 0.553 0.867 0.733 CA 0.958 13 residues pruned to eliminate duplicates Z: 8 2.789 1.694 0.284 0.273 0.857 0.571 CB 0.732 Z: 7 7.059 1.722 0.297 0.449 1.000 0.667 CB 1.359 7 residues pruned to eliminate duplicates Z: 35 22.947 2.128 0.527 0.354 0.912 0.676 CA 1.556 35 residues pruned to eliminate duplicates 7 1.315 1.482 0.216 0.446 0.667 0.500 CB 0.472 ? Z: 15 24.809 1.853 0.915 0.897 0.929 0.714 N 1.440 15 residues pruned to eliminate duplicates Z: 17 26.492 2.018 0.792 0.894 0.938 0.750 CB 1.401 17 residues pruned to eliminate duplicates Z: 17 13.802 1.974 0.929 0.311 0.875 0.562 CB 1.278 17 residues pruned to eliminate duplicates 6 1.105 1.674 -0.053 0.500 1.000 0.400 CB 0.312 ? Z: 7 4.980 1.581 0.140 0.583 1.000 0.667 CB 1.041 7 residues pruned to eliminate duplicates Z: 18 20.057 1.874 0.695 0.857 0.941 0.706 CB 1.199 18 residues pruned to eliminate duplicates Z: 23 13.624 1.873 0.412 0.504 0.909 0.591 CB 1.203 23 residues pruned to eliminate duplicates Z: 22 15.327 1.818 0.422 0.447 0.952 0.619 CA 1.435 22 residues pruned to eliminate duplicates Z: 47 24.310 1.889 0.607 0.590 0.913 0.587 CB 1.186 47 residues pruned to eliminate duplicates Z: 11 8.809 1.832 0.237 0.658 1.000 0.700 CB 1.062 11 residues pruned to eliminate duplicates Z: 9 4.096 1.442 0.834 0.234 0.750 0.250 CB 0.994 Z: 13 21.278 1.921 1.032 0.926 1.000 0.750 CB 1.104 13 residues pruned to eliminate duplicates Z: 51 29.090 1.910 0.538 0.583 0.960 0.640 CB 1.347 51 residues pruned to eliminate duplicates Z: 7 9.646 1.794 0.246 0.852 1.000 0.833 CA 1.303 7 residues pruned to eliminate duplicates Z: 15 20.542 1.943 0.487 0.903 0.929 0.929 CB 1.459 15 residues pruned to eliminate duplicates Z: 9 9.416 1.607 0.863 0.860 0.750 0.625 CB 1.090 10 residues pruned to eliminate duplicates Z: 14 16.289 1.785 0.568 0.927 1.000 0.846 CB 1.132 14 residues pruned to eliminate duplicates Z: 13 5.260 1.853 0.007 0.375 0.750 0.417 CA 1.239 13 residues pruned to eliminate duplicates Z: 6 3.562 1.598 0.812 0.297 0.800 0.400 N 0.863 Z: 13 9.460 1.957 0.285 0.395 1.000 0.417 CB 1.214 13 residues pruned to eliminate duplicates Z: 33 29.476 1.982 0.835 0.671 0.906 0.719 CB 1.351 33 residues pruned to eliminate duplicates Z: 22 19.971 1.965 0.734 0.632 0.952 0.571 CB 1.186 22 residues pruned to eliminate duplicates Z: 15 10.386 1.983 0.602 0.264 0.929 0.643 CB 1.230 15 residues pruned to eliminate duplicates Z: 8 8.887 1.901 0.375 0.905 1.000 1.000 CB 0.915 8 residues pruned to eliminate duplicates Z: 11 3.875 1.510 0.349 0.283 0.800 0.600 CB 0.960 Z: 13 15.260 1.895 0.685 0.546 0.917 0.833 N 1.439 13 residues pruned to eliminate duplicates Z: 16 19.998 1.975 0.876 0.932 1.000 0.867 CB 0.973 16 residues pruned to eliminate duplicates Z: 6 6.262 1.888 0.140 0.841 1.000 1.000 CB 0.970 Z: 12 14.502 1.960 0.731 0.436 0.909 0.818 CB 1.515 10 residues pruned to eliminate duplicates Z: 11 11.263 1.474 0.924 0.846 0.900 0.700 CA 1.036 11 residues pruned to eliminate duplicates Z: 57 24.137 1.874 0.332 0.546 0.946 0.679 CB 1.306 57 residues pruned to eliminate duplicates Z: 7 5.134 1.476 0.211 0.567 1.000 0.333 CB 1.099 7 residues pruned to eliminate duplicates Z: 6 5.660 1.699 0.375 0.666 0.800 0.400 CB 1.162 6 residues pruned to eliminate duplicates Z: 9 3.474 1.573 0.266 0.334 0.750 0.625 O 0.986 9 residues pruned to eliminate duplicates Z: 16 21.169 2.002 0.921 0.913 1.000 0.600 CB 1.006 16 residues pruned to eliminate duplicates Z: 68 30.462 1.842 0.524 0.533 0.940 0.642 CB 1.365 68 residues pruned to eliminate duplicates Z: 12 4.439 1.571 0.450 0.487 0.727 0.545 CB 0.818 Z: 8 10.459 1.740 0.618 0.830 0.857 0.571 CA 1.231 8 residues pruned to eliminate duplicates Z: 15 26.749 1.907 0.832 0.930 1.000 0.857 CA 1.430 16 residues pruned to eliminate duplicates Z: 9 2.302 1.326 0.240 0.297 0.875 0.250 CB 0.710 Z: 8 9.720 1.631 0.711 0.768 0.714 0.714 O 1.453 8 residues pruned to eliminate duplicates Z: 6 3.591 1.564 0.203 0.647 0.800 0.800 CB 0.931 6 residues pruned to eliminate duplicates Z: 14 6.489 1.743 0.386 0.316 0.769 0.308 CB 1.188 24 residues pruned to eliminate duplicates Z: 14 3.347 1.526 0.214 0.297 0.692 0.385 CB 0.908 Z: 8 5.084 1.646 0.565 0.552 1.000 0.571 CB 0.709 6 residues pruned to eliminate duplicates Z: 11 11.197 1.415 0.697 0.884 1.000 0.800 N 1.066 11 residues pruned to eliminate duplicates Z: 36 11.333 1.730 0.372 0.460 0.829 0.629 CB 1.014 50 residues pruned to eliminate duplicates Z: 9 13.330 1.708 0.778 0.867 0.875 0.500 CB 1.298 9 residues pruned to eliminate duplicates Z: 9 6.407 1.854 0.121 0.702 0.875 0.625 CB 1.036 9 residues pruned to eliminate duplicates Z: 6 3.651 1.572 0.361 0.398 1.000 0.600 N 0.850 Z: 32 27.930 1.964 0.719 0.711 0.935 0.774 CB 1.311 32 residues pruned to eliminate duplicates Z: 19 28.560 1.896 0.875 0.919 1.000 0.722 CB 1.334 19 residues pruned to eliminate duplicates Z: 29 24.944 1.896 0.613 0.603 1.000 0.786 CB 1.397 29 residues pruned to eliminate duplicates Z: 17 14.077 1.943 0.206 0.866 1.000 0.938 CB 1.099 17 residues pruned to eliminate duplicates Z: 33 23.104 1.853 0.542 0.708 0.969 0.594 CB 1.221 33 residues pruned to eliminate duplicates Z: 10 5.561 1.590 0.502 0.199 0.778 0.556 N 1.428 8 residues pruned to eliminate duplicates Z: 16 18.889 1.782 0.673 0.862 1.000 0.867 CA 1.201 16 residues pruned to eliminate duplicates Z: 16 14.728 1.638 0.727 0.591 0.933 0.667 CB 1.320 16 residues pruned to eliminate duplicates Z: 12 5.613 1.624 0.002 0.352 1.000 0.545 CB 1.221 12 residues pruned to eliminate duplicates Z: 23 18.381 1.765 0.559 0.594 0.955 0.682 CB 1.364 23 residues pruned to eliminate duplicates Z: 10 7.096 1.913 0.371 0.342 0.778 0.667 CB 1.377 10 residues pruned to eliminate duplicates Z: 33 27.311 1.974 0.662 0.652 0.938 0.625 CB 1.362 33 residues pruned to eliminate duplicates Z: 6 3.572 1.618 0.158 0.282 1.000 0.200 CB 1.091 6 residues pruned to eliminate duplicates Z: 9 3.860 1.585 0.016 0.551 0.875 0.625 N 0.922 Z: 16 12.697 1.871 0.719 0.401 0.867 0.600 CB 1.305 16 residues pruned to eliminate duplicates Z: 8 7.971 1.561 0.526 0.465 1.000 0.714 N 1.310 Z: 19 11.834 1.750 0.640 0.404 0.889 0.389 CB 1.209 19 residues pruned to eliminate duplicates Z: 6 11.894 1.742 0.649 0.879 1.000 1.000 CB 1.342 6 residues pruned to eliminate duplicates Z: 19 14.750 1.791 0.715 0.483 0.889 0.389 CB 1.296 19 residues pruned to eliminate duplicates Z: 9 12.174 1.552 0.585 0.795 1.000 0.500 CA 1.352 9 residues pruned to eliminate duplicates Z: 13 8.670 1.595 0.560 0.507 0.833 0.583 CB 1.199 13 residues pruned to eliminate duplicates Z: 10 12.755 1.657 0.443 0.875 1.000 1.000 CA 1.293 10 residues pruned to eliminate duplicates Z: 14 5.178 1.637 -0.073 0.493 0.923 0.615 CB 1.033 Z: 11 7.257 1.688 0.736 0.745 0.900 0.800 CB 0.699 11 residues pruned to eliminate duplicates Z: 49 19.490 1.806 0.636 0.461 0.875 0.562 CB 1.132 49 residues pruned to eliminate duplicates Z: 23 11.775 1.807 0.509 0.505 0.864 0.455 CB 1.060 23 residues pruned to eliminate duplicates Z: 51 17.174 1.896 0.638 0.284 0.780 0.540 CB 1.279 51 residues pruned to eliminate duplicates Z: 28 11.965 1.793 0.429 0.480 0.852 0.741 CB 1.076 28 residues pruned to eliminate duplicates Z: 40 25.290 1.801 0.700 0.654 0.949 0.692 CA 1.207 40 residues pruned to eliminate duplicates Z: 7 3.177 1.500 0.250 0.550 0.833 0.667 CB 0.790 7 residues pruned to eliminate duplicates Z: 9 4.691 1.568 0.750 0.319 0.625 0.500 CB 1.181 10 residues pruned to eliminate duplicates 6 1.722 1.002 0.422 0.484 0.800 0.400 CB 0.687 ? Z: 20 19.306 1.948 0.807 0.763 0.947 0.684 CB 1.051 20 residues pruned to eliminate duplicates Z: 9 5.761 1.430 0.778 0.421 0.750 0.500 CB 1.159 Z: 12 4.481 1.549 0.122 0.278 0.818 0.455 N 1.221 Z: 24 15.864 2.049 0.658 0.370 0.913 0.478 CB 1.226 24 residues pruned to eliminate duplicates Z: 41 30.079 1.881 0.769 0.692 0.925 0.775 CB 1.297 40 residues pruned to eliminate duplicates Z: 8 2.278 1.367 0.535 0.239 1.000 0.429 CB 0.555 Z: 14 5.893 1.627 0.390 0.362 0.846 0.538 CB 0.991 11 residues pruned to eliminate duplicates Z: 7 4.967 1.607 0.569 0.360 1.000 0.333 CA 0.936 Z: 13 8.463 1.689 0.725 0.486 0.917 0.667 CB 0.928 Z: 7 4.473 1.445 0.297 0.510 0.833 0.500 CB 1.157 Z: 15 5.611 1.471 0.340 0.482 0.857 0.786 CB 0.904 Z: 7 4.135 1.520 0.574 0.469 0.667 0.167 N 1.092 7 residues pruned to eliminate duplicates Z: 7 5.055 1.587 0.794 0.399 0.667 0.500 CB 1.208 7 residues pruned to eliminate duplicates Z: 15 8.612 2.103 0.386 0.168 0.786 0.571 CB 1.504 15 residues pruned to eliminate duplicates Z: 13 8.435 1.522 0.246 0.642 0.833 0.500 O 1.349 13 residues pruned to eliminate duplicates Z: 20 24.393 1.947 0.828 0.664 0.947 0.737 CB 1.426 20 residues pruned to eliminate duplicates Z: 7 2.108 1.516 0.818 0.279 0.500 0.500 O 0.801 7 residues pruned to eliminate duplicates Z: 36 19.557 1.923 0.825 0.331 0.857 0.571 CB 1.323 36 residues pruned to eliminate duplicates Z: 7 2.748 1.659 0.421 0.507 1.000 0.667 CB 0.473 7 residues pruned to eliminate duplicates Z: 21 12.862 1.834 0.527 0.454 0.800 0.550 CB 1.345 21 residues pruned to eliminate duplicates Z: 6 2.347 1.482 0.622 0.431 0.600 0.400 N 0.781 Z: 11 3.633 1.468 0.656 0.163 0.700 0.200 CB 1.018 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 15.183 1.883 0.886 0.685 0.923 0.538 CB 1.084 14 residues pruned to eliminate duplicates Z: 13 20.631 1.887 1.161 0.745 0.917 0.750 CA 1.280 13 residues pruned to eliminate duplicates Z: 15 15.432 1.766 0.741 0.713 0.929 0.571 CB 1.191 15 residues pruned to eliminate duplicates Z: 13 18.625 1.912 0.936 0.739 0.917 0.667 CB 1.279 13 residues pruned to eliminate duplicates Z: 12 18.397 1.965 1.063 0.826 0.909 0.727 CB 1.135 12 residues pruned to eliminate duplicates Z: 13 21.138 1.982 1.017 0.872 0.917 0.750 CB 1.213 13 residues pruned to eliminate duplicates Z: 12 23.288 2.032 0.825 0.902 1.000 0.818 CB 1.351 12 residues pruned to eliminate duplicates Z: 13 21.945 2.012 1.063 0.931 0.917 0.750 CB 1.164 13 residues pruned to eliminate duplicates Z: 14 22.048 1.987 0.972 0.841 0.923 0.538 CB 1.261 14 residues pruned to eliminate duplicates Z: 14 21.456 1.975 1.027 0.885 0.923 0.538 CB 1.162 14 residues pruned to eliminate duplicates Z: 16 20.523 1.839 0.942 0.917 0.933 0.600 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 21.585 1.933 0.873 0.906 1.000 0.857 CB 1.133 15 residues pruned to eliminate duplicates Z: 8 5.468 1.898 0.148 0.478 0.714 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 11 6.070 1.717 0.323 0.316 0.800 0.500 CB 1.293 11 residues pruned to eliminate duplicates Z: 9 6.856 1.899 0.485 0.390 0.750 0.375 CB 1.288 9 residues pruned to eliminate duplicates Z: 9 7.729 1.837 0.311 0.465 1.000 0.500 CB 1.175 9 residues pruned to eliminate duplicates Z: 8 11.643 1.757 0.650 0.556 1.000 0.714 CB 1.438 13 residues pruned to eliminate duplicates Z: 6 3.230 1.434 0.506 0.409 0.600 0.400 CA 1.227 6 residues pruned to eliminate duplicates Z: 12 7.306 1.577 0.485 0.461 0.909 0.727 CB 1.077 12 residues pruned to eliminate duplicates Z: 11 6.394 1.605 0.435 0.430 0.800 0.400 CB 1.180 11 residues pruned to eliminate duplicates Z: 7 7.324 1.809 0.436 0.434 0.833 0.500 CB 1.478 7 residues pruned to eliminate duplicates Z: 16 17.465 1.822 0.588 0.721 0.933 0.867 CA 1.367 16 residues pruned to eliminate duplicates Z: 16 22.800 1.892 0.868 0.721 0.933 0.733 CA 1.462 16 residues pruned to eliminate duplicates Z: 14 21.404 1.965 0.610 0.782 1.000 0.923 CA 1.464 14 residues pruned to eliminate duplicates Z: 16 23.783 1.921 0.542 0.923 1.000 0.867 CA 1.456 16 residues pruned to eliminate duplicates Z: 14 22.346 1.968 0.642 0.778 1.000 0.692 CA 1.501 14 residues pruned to eliminate duplicates Z: 47 24.830 1.924 0.503 0.599 0.913 0.609 CB 1.261 47 residues pruned to eliminate duplicates Z: 36 23.589 1.934 0.585 0.571 0.857 0.571 CB 1.417 36 residues pruned to eliminate duplicates Z: 36 27.221 1.925 0.639 0.672 1.000 0.743 CB 1.244 36 residues pruned to eliminate duplicates Z: 32 25.735 1.876 0.613 0.666 0.968 0.484 CB 1.353 32 residues pruned to eliminate duplicates Z: 46 26.613 1.935 0.556 0.566 0.933 0.622 CB 1.324 46 residues pruned to eliminate duplicates Z: 36 29.551 1.954 0.689 0.674 0.943 0.657 CB 1.368 36 residues pruned to eliminate duplicates Z: 47 27.867 1.883 0.629 0.661 0.891 0.696 CB 1.295 47 residues pruned to eliminate duplicates Z: 30 30.477 1.983 0.727 0.741 0.931 0.759 CB 1.430 30 residues pruned to eliminate duplicates Z: 38 30.707 1.959 0.743 0.706 0.919 0.676 CB 1.334 38 residues pruned to eliminate duplicates Z: 32 30.210 1.905 0.822 0.732 0.935 0.710 CB 1.356 32 residues pruned to eliminate duplicates Z: 27 28.759 1.959 0.749 0.691 0.962 0.654 CB 1.437 27 residues pruned to eliminate duplicates Z: 39 30.780 1.892 0.826 0.691 0.921 0.684 CB 1.317 39 residues pruned to eliminate duplicates Z: 22 17.456 1.900 0.652 0.569 0.905 0.667 CB 1.255 22 residues pruned to eliminate duplicates Z: 21 19.151 1.952 0.656 0.640 0.850 0.700 CB 1.367 21 residues pruned to eliminate duplicates Z: 32 28.848 2.013 0.730 0.701 0.903 0.645 CB 1.372 32 residues pruned to eliminate duplicates Z: 42 23.237 1.900 0.614 0.574 0.854 0.634 CB 1.291 42 residues pruned to eliminate duplicates Z: 38 28.736 1.916 0.794 0.699 0.892 0.676 CB 1.285 38 residues pruned to eliminate duplicates Z: 37 29.751 1.919 0.854 0.663 0.889 0.556 CB 1.348 37 residues pruned to eliminate duplicates Z: 29 31.979 1.973 0.738 0.754 0.964 0.679 CB 1.458 29 residues pruned to eliminate duplicates Z: 44 30.737 1.874 0.703 0.609 0.953 0.581 CB 1.389 44 residues pruned to eliminate duplicates Z: 7 6.549 1.491 0.886 0.404 1.000 0.667 O 1.051 7 residues pruned to eliminate duplicates Z: 10 12.246 1.895 0.540 0.699 0.889 0.667 CB 1.312 10 residues pruned to eliminate duplicates Z: 42 28.655 1.951 0.662 0.638 0.927 0.634 CB 1.308 42 residues pruned to eliminate duplicates Z: 21 11.166 1.829 0.493 0.500 0.850 0.600 CB 1.076 21 residues pruned to eliminate duplicates Z: 29 21.497 1.964 0.665 0.593 0.929 0.750 CB 1.225 29 residues pruned to eliminate duplicates Z: 48 25.533 1.850 0.671 0.542 0.936 0.574 CB 1.235 48 residues pruned to eliminate duplicates Z: 46 28.645 1.928 0.620 0.625 0.956 0.600 CB 1.271 46 residues pruned to eliminate duplicates Z: 45 35.158 1.958 0.787 0.672 0.977 0.705 CB 1.322 45 residues pruned to eliminate duplicates Z: 25 12.211 1.693 0.668 0.495 0.917 0.458 CB 0.968 25 residues pruned to eliminate duplicates Z: 57 26.257 1.878 0.750 0.489 0.875 0.536 CB 1.233 51 residues pruned to eliminate duplicates Z: 6 4.286 1.401 0.258 0.393 1.000 0.800 CB 1.217 6 residues pruned to eliminate duplicates Z: 65 35.842 1.920 0.699 0.642 0.938 0.641 CB 1.283 65 residues pruned to eliminate duplicates Z: 25 17.963 1.825 0.772 0.528 0.917 0.583 CB 1.204 25 residues pruned to eliminate duplicates Z: 22 19.415 1.894 0.757 0.577 0.905 0.619 CB 1.307 22 residues pruned to eliminate duplicates Z: 18 17.312 1.891 0.722 0.640 0.882 0.647 CB 1.282 18 residues pruned to eliminate duplicates Z: 67 34.511 1.916 0.725 0.617 0.894 0.591 CB 1.287 67 residues pruned to eliminate duplicates Z: 16 20.845 1.942 0.677 0.684 1.000 0.667 CB 1.396 16 residues pruned to eliminate duplicates Z: 16 14.609 1.890 0.590 0.562 0.933 0.533 CB 1.267 16 residues pruned to eliminate duplicates Z: 21 17.393 1.913 0.590 0.514 0.950 0.650 CB 1.327 21 residues pruned to eliminate duplicates Z: 18 17.390 1.862 0.583 0.633 1.000 0.765 CB 1.263 18 residues pruned to eliminate duplicates Z: 10 7.571 1.836 0.702 0.457 0.889 0.556 CB 0.949 10 residues pruned to eliminate duplicates Z: 64 35.417 1.892 0.711 0.621 0.968 0.619 CB 1.270 64 residues pruned to eliminate duplicates Z: 13 9.032 1.833 0.473 0.412 0.917 0.667 CB 1.155 13 residues pruned to eliminate duplicates Z: 6 3.527 1.599 0.470 0.385 1.000 0.800 CA 0.758 Z: 6 4.634 1.542 1.054 0.295 0.800 0.600 CA 1.029 Z: 7 6.907 1.591 0.796 0.524 1.000 0.833 CA 0.963 7 residues pruned to eliminate duplicates Z: 35 15.797 1.867 0.433 0.461 0.941 0.647 CB 1.119 35 residues pruned to eliminate duplicates Z: 6 2.565 1.604 0.390 0.375 0.600 0.400 CA 0.980 6 residues pruned to eliminate duplicates Z: 29 16.950 1.882 0.412 0.538 0.964 0.750 CA 1.204 29 residues pruned to eliminate duplicates Z: 23 11.124 1.807 0.509 0.428 0.909 0.773 CA 1.031 23 residues pruned to eliminate duplicates Z: 46 20.824 1.850 0.494 0.492 0.911 0.644 CB 1.244 40 residues pruned to eliminate duplicates Z: 6 6.014 1.489 0.645 0.400 1.000 0.800 N 1.220 6 residues pruned to eliminate duplicates Z: 22 11.997 1.793 0.386 0.437 0.952 0.667 CB 1.181 22 residues pruned to eliminate duplicates Z: 28 16.988 1.902 0.456 0.595 0.963 0.778 CA 1.119 28 residues pruned to eliminate duplicates Z: 59 24.151 1.820 0.517 0.577 0.897 0.707 CB 1.189 96 residues pruned to eliminate duplicates Z: 9 5.533 1.705 0.395 0.598 0.875 0.375 CA 0.856 9 residues pruned to eliminate duplicates Z: 52 22.157 1.817 0.604 0.566 0.863 0.706 CB 1.158 52 residues pruned to eliminate duplicates Z: 24 12.509 1.849 0.535 0.395 0.870 0.652 CB 1.180 24 residues pruned to eliminate duplicates Z: 47 24.814 1.866 0.489 0.591 0.957 0.696 CA 1.263 47 residues pruned to eliminate duplicates Z: 21 12.333 1.938 0.335 0.462 0.950 0.800 CA 1.166 21 residues pruned to eliminate duplicates Z: 19 11.589 1.888 0.457 0.515 0.778 0.556 CA 1.258 19 residues pruned to eliminate duplicates Z: 33 13.678 1.879 0.355 0.463 0.844 0.594 CB 1.169 33 residues pruned to eliminate duplicates Z: 21 9.178 1.899 0.287 0.337 0.850 0.650 CA 1.180 21 residues pruned to eliminate duplicates Z: 17 12.023 1.908 0.385 0.612 0.938 0.750 CB 1.091 17 residues pruned to eliminate duplicates Z: 52 20.951 1.807 0.484 0.592 0.922 0.627 CB 1.087 52 residues pruned to eliminate duplicates Z: 43 24.427 1.885 0.587 0.614 0.905 0.643 CA 1.251 43 residues pruned to eliminate duplicates Z: 22 17.988 1.824 0.599 0.730 0.905 0.667 CA 1.210 22 residues pruned to eliminate duplicates Z: 26 23.847 1.872 0.794 0.720 0.920 0.680 CB 1.265 26 residues pruned to eliminate duplicates Z: 51 21.909 1.838 0.547 0.549 0.880 0.660 CB 1.180 51 residues pruned to eliminate duplicates Z: 25 24.178 1.858 0.717 0.767 1.000 0.833 CA 1.221 25 residues pruned to eliminate duplicates Z: 37 26.638 1.886 0.766 0.667 0.944 0.750 CB 1.209 36 residues pruned to eliminate duplicates Z: 20 24.583 1.815 0.772 0.861 1.000 0.737 CB 1.289 21 residues pruned to eliminate duplicates Z: 19 22.020 1.857 0.719 0.864 0.944 0.667 CB 1.262 19 residues pruned to eliminate duplicates Z: 58 24.104 1.773 0.646 0.525 0.912 0.596 CB 1.170 59 residues pruned to eliminate duplicates Z: 19 25.282 1.821 0.774 0.875 1.000 0.611 CB 1.342 19 residues pruned to eliminate duplicates Z: 51 26.281 1.825 0.734 0.611 0.900 0.740 CB 1.174 51 residues pruned to eliminate duplicates Z: 25 25.545 1.889 0.831 0.769 0.917 0.708 CA 1.296 25 residues pruned to eliminate duplicates Z: 48 23.270 1.786 0.718 0.569 0.915 0.511 CB 1.131 48 residues pruned to eliminate duplicates Z: 37 23.731 1.865 0.708 0.632 0.889 0.528 CB 1.234 37 residues pruned to eliminate duplicates Z: 37 26.440 1.897 0.762 0.654 0.917 0.667 CB 1.246 37 residues pruned to eliminate duplicates Z: 19 20.109 2.071 0.588 0.538 0.889 0.444 CB 1.562 19 residues pruned to eliminate duplicates Z: 18 15.991 1.837 0.794 0.589 0.824 0.588 N 1.312 18 residues pruned to eliminate duplicates Z: 33 29.007 1.978 0.748 0.658 0.969 0.688 CB 1.322 33 residues pruned to eliminate duplicates Z: 27 15.101 1.907 0.610 0.487 0.808 0.538 CB 1.210 27 residues pruned to eliminate duplicates Z: 34 30.496 1.989 0.816 0.654 0.970 0.697 CB 1.314 34 residues pruned to eliminate duplicates Z: 73 41.817 1.928 0.806 0.645 0.931 0.708 CB 1.328 73 residues pruned to eliminate duplicates Z: 34 26.208 1.950 0.760 0.622 0.909 0.606 CB 1.303 34 residues pruned to eliminate duplicates Z: 22 23.869 1.956 0.678 0.637 0.905 0.667 N 1.542 22 residues pruned to eliminate duplicates Z: 38 27.358 1.863 0.683 0.670 0.973 0.622 CB 1.261 38 residues pruned to eliminate duplicates Z: 39 28.406 1.950 0.736 0.626 0.895 0.737 CB 1.351 39 residues pruned to eliminate duplicates Z: 12 9.111 1.958 0.689 0.440 0.636 0.455 CB 1.389 12 residues pruned to eliminate duplicates Z: 11 11.996 2.008 0.804 0.536 0.700 0.400 CB 1.444 11 residues pruned to eliminate duplicates Z: 38 32.258 1.974 0.935 0.701 0.892 0.703 CB 1.297 38 residues pruned to eliminate duplicates Z: 33 24.021 1.940 0.656 0.591 0.938 0.469 CB 1.292 33 residues pruned to eliminate duplicates Z: 22 22.488 1.980 0.764 0.676 0.952 0.762 CB 1.254 22 residues pruned to eliminate duplicates Z: 19 17.294 1.966 0.668 0.597 0.944 0.667 CB 1.199 19 residues pruned to eliminate duplicates Z: 14 11.760 1.803 0.704 0.472 1.000 0.538 CB 1.092 14 residues pruned to eliminate duplicates Z: 13 8.076 1.773 0.636 0.351 0.917 0.417 CB 1.030 13 residues pruned to eliminate duplicates Z: 35 26.755 1.962 0.730 0.597 0.882 0.676 CB 1.397 35 residues pruned to eliminate duplicates Z: 19 16.158 1.972 0.570 0.649 0.944 0.667 CB 1.133 19 residues pruned to eliminate duplicates Z: 23 21.156 1.929 0.686 0.659 0.955 0.682 CB 1.254 23 residues pruned to eliminate duplicates Z: 25 18.849 1.888 0.892 0.546 0.917 0.583 CB 1.123 25 residues pruned to eliminate duplicates Z: 20 18.709 1.945 0.759 0.666 1.000 0.632 CB 1.076 20 residues pruned to eliminate duplicates Z: 22 17.366 1.918 0.530 0.685 0.952 0.810 CB 1.145 22 residues pruned to eliminate duplicates Z: 19 14.725 1.831 0.805 0.632 0.944 0.611 CB 0.983 19 residues pruned to eliminate duplicates Z: 10 8.040 1.442 0.456 0.551 1.000 0.333 CA 1.215 10 residues pruned to eliminate duplicates Z: 19 14.928 1.761 0.717 0.589 0.778 0.556 CB 1.375 19 residues pruned to eliminate duplicates Z: 19 11.916 1.728 0.470 0.555 0.778 0.500 CB 1.347 19 residues pruned to eliminate duplicates Z: 13 14.029 1.777 0.646 0.577 0.917 0.500 CB 1.402 13 residues pruned to eliminate duplicates Z: 13 13.725 1.756 0.802 0.594 0.833 0.583 CB 1.373 13 residues pruned to eliminate duplicates Z: 13 13.367 1.707 0.683 0.584 0.917 0.583 N 1.352 13 residues pruned to eliminate duplicates Z: 20 13.953 1.758 0.656 0.555 0.789 0.632 CB 1.321 20 residues pruned to eliminate duplicates Z: 20 17.685 1.748 0.756 0.593 0.895 0.526 CB 1.352 20 residues pruned to eliminate duplicates Z: 21 24.273 1.841 0.737 0.744 0.950 0.650 CA 1.437 21 residues pruned to eliminate duplicates Z: 25 24.407 1.934 0.445 0.735 1.000 0.667 CB 1.443 25 residues pruned to eliminate duplicates Z: 27 23.668 1.891 0.585 0.714 0.885 0.731 CB 1.443 27 residues pruned to eliminate duplicates Z: 24 21.526 1.950 0.547 0.668 0.957 0.652 CB 1.332 24 residues pruned to eliminate duplicates Z: 14 19.268 1.923 0.664 0.734 1.000 0.615 CA 1.354 14 residues pruned to eliminate duplicates Z: 23 23.195 1.943 0.650 0.697 0.864 0.682 CB 1.491 23 residues pruned to eliminate duplicates Z: 26 22.673 1.905 0.481 0.739 0.920 0.840 CB 1.410 26 residues pruned to eliminate duplicates Z: 25 19.988 1.918 0.465 0.701 0.875 0.667 CB 1.381 25 residues pruned to eliminate duplicates Z: 31 20.654 1.874 0.461 0.643 0.900 0.667 CB 1.339 31 residues pruned to eliminate duplicates Z: 24 26.043 1.952 0.560 0.775 0.957 0.696 CB 1.462 24 residues pruned to eliminate duplicates Z: 24 26.760 1.981 0.655 0.730 0.957 0.739 CB 1.446 24 residues pruned to eliminate duplicates Z: 34 24.546 1.868 0.547 0.636 0.939 0.697 CB 1.385 33 residues pruned to eliminate duplicates Z: 17 23.555 1.979 0.532 0.892 1.000 0.750 CA 1.396 17 residues pruned to eliminate duplicates Z: 23 26.918 1.990 0.536 0.751 1.000 0.682 CB 1.500 23 residues pruned to eliminate duplicates Z: 27 24.837 1.889 0.470 0.732 1.000 0.615 CB 1.425 27 residues pruned to eliminate duplicates Z: 25 28.536 1.954 0.623 0.754 1.000 0.750 CA 1.465 25 residues pruned to eliminate duplicates Z: 29 23.621 1.849 0.588 0.683 0.893 0.679 CB 1.440 29 residues pruned to eliminate duplicates Z: 13 9.730 1.825 0.387 0.617 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 11 10.592 1.924 0.316 0.532 0.900 0.600 CB 1.425 11 residues pruned to eliminate duplicates Z: 13 11.641 1.828 0.542 0.584 0.917 0.583 CB 1.200 13 residues pruned to eliminate duplicates Z: 24 17.813 1.799 0.559 0.555 0.870 0.565 CB 1.444 24 residues pruned to eliminate duplicates Z: 17 22.313 1.932 0.644 0.793 1.000 0.875 CB 1.359 17 residues pruned to eliminate duplicates Z: 33 26.614 1.890 0.626 0.643 0.938 0.781 CB 1.428 34 residues pruned to eliminate duplicates Z: 10 10.134 1.691 0.612 0.646 0.889 0.333 CB 1.217 10 residues pruned to eliminate duplicates Z: 75 30.592 1.946 0.559 0.441 0.919 0.527 CB 1.356 75 residues pruned to eliminate duplicates Z: 39 18.147 1.778 0.535 0.439 0.921 0.500 CB 1.247 39 residues pruned to eliminate duplicates Z: 36 25.805 1.853 0.583 0.592 0.971 0.571 CB 1.403 36 residues pruned to eliminate duplicates Z: 31 28.015 1.928 0.650 0.670 0.933 0.667 CA 1.472 31 residues pruned to eliminate duplicates Z: 35 23.446 1.848 0.523 0.595 0.971 0.735 CA 1.344 35 residues pruned to eliminate duplicates Z: 25 13.223 1.747 0.603 0.426 0.875 0.667 CB 1.190 25 residues pruned to eliminate duplicates Z: 33 21.342 1.838 0.420 0.556 0.938 0.625 CA 1.460 32 residues pruned to eliminate duplicates Z: 8 3.639 1.303 0.400 0.425 1.000 0.714 CA 0.815 8 residues pruned to eliminate duplicates Z: 61 27.077 1.916 0.587 0.451 0.900 0.533 CB 1.344 62 residues pruned to eliminate duplicates Z: 10 7.024 1.454 0.649 0.532 0.889 0.444 N 1.064 10 residues pruned to eliminate duplicates Z: 36 16.472 1.939 0.709 0.269 0.857 0.400 CB 1.273 36 residues pruned to eliminate duplicates Z: 74 28.871 1.929 0.598 0.416 0.877 0.589 CB 1.365 74 residues pruned to eliminate duplicates Z: 29 16.882 1.991 0.661 0.305 0.893 0.393 CB 1.342 29 residues pruned to eliminate duplicates Z: 30 16.813 1.976 0.669 0.274 0.931 0.448 CB 1.315 30 residues pruned to eliminate duplicates Z: 35 21.485 2.094 0.656 0.342 0.853 0.618 CB 1.479 35 residues pruned to eliminate duplicates Z: 26 16.694 1.984 0.819 0.317 0.840 0.560 CA 1.347 26 residues pruned to eliminate duplicates Z: 33 23.086 2.128 0.582 0.347 0.906 0.594 CB 1.579 33 residues pruned to eliminate duplicates Z: 27 18.127 1.865 0.762 0.383 0.846 0.615 CB 1.449 27 residues pruned to eliminate duplicates Z: 40 23.537 2.018 0.704 0.323 0.923 0.462 CB 1.443 40 residues pruned to eliminate duplicates Z: 43 20.080 1.970 0.661 0.304 0.952 0.524 CB 1.236 43 residues pruned to eliminate duplicates Z: 37 24.777 2.045 0.812 0.361 0.917 0.583 CB 1.413 37 residues pruned to eliminate duplicates Z: 30 17.866 2.021 0.718 0.288 0.897 0.517 CB 1.353 30 residues pruned to eliminate duplicates Z: 31 17.035 1.955 0.724 0.302 0.867 0.467 CB 1.326 31 residues pruned to eliminate duplicates Z: 43 17.494 1.966 0.646 0.282 0.833 0.548 CB 1.280 43 residues pruned to eliminate duplicates Z: 23 15.532 2.046 0.668 0.334 0.864 0.591 CB 1.346 23 residues pruned to eliminate duplicates Z: 30 17.247 1.996 0.684 0.312 0.897 0.517 CB 1.308 30 residues pruned to eliminate duplicates Z: 24 20.629 2.093 0.926 0.314 0.870 0.696 CB 1.508 24 residues pruned to eliminate duplicates Z: 24 24.886 2.075 0.966 0.392 0.957 0.652 CA 1.491 24 residues pruned to eliminate duplicates Z: 35 22.312 2.087 0.701 0.358 0.912 0.559 CB 1.378 35 residues pruned to eliminate duplicates Z: 31 16.260 1.969 0.696 0.314 0.833 0.567 CB 1.310 31 residues pruned to eliminate duplicates Z: 35 20.117 2.056 0.675 0.323 0.912 0.559 CB 1.334 35 residues pruned to eliminate duplicates Z: 26 17.627 2.140 0.654 0.311 0.920 0.480 CB 1.334 26 residues pruned to eliminate duplicates Z: 42 20.807 1.953 0.625 0.337 0.976 0.512 CB 1.253 42 residues pruned to eliminate duplicates Z: 21 13.826 2.003 0.695 0.272 0.900 0.650 CB 1.311 21 residues pruned to eliminate duplicates Z: 12 14.091 2.056 0.740 0.402 1.000 0.545 CB 1.316 12 residues pruned to eliminate duplicates Z: 35 19.636 2.053 0.685 0.339 0.882 0.559 CB 1.316 35 residues pruned to eliminate duplicates Z: 34 22.327 2.069 0.751 0.366 0.909 0.667 CB 1.363 34 residues pruned to eliminate duplicates Z: 7 3.883 1.334 1.091 0.213 0.833 0.500 CB 0.957 7 residues pruned to eliminate duplicates Z: 76 32.654 1.933 0.622 0.443 0.920 0.547 CB 1.387 75 residues pruned to eliminate duplicates Z: 6 4.479 1.560 1.163 0.410 0.800 0.600 CA 0.815 6 residues pruned to eliminate duplicates Z: 29 16.141 2.031 0.810 0.264 0.821 0.571 CB 1.322 27 residues pruned to eliminate duplicates Z: 6 5.930 1.578 0.402 0.466 1.000 0.800 CB 1.240 Z: 6 5.446 1.614 1.118 0.299 0.800 0.600 CA 1.115 6 residues pruned to eliminate duplicates Z: 18 15.468 1.805 0.657 0.409 0.941 0.529 N 1.466 18 residues pruned to eliminate duplicates Z: 13 10.032 1.768 0.473 0.493 0.917 0.500 N 1.222 13 residues pruned to eliminate duplicates Z: 20 10.834 1.680 0.613 0.284 0.842 0.474 CB 1.390 46 residues pruned to eliminate duplicates Z: 17 12.744 1.689 0.458 0.771 0.938 0.688 CB 1.086 17 residues pruned to eliminate duplicates Z: 15 13.570 1.774 0.563 0.672 0.929 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 16 13.129 1.757 0.438 0.659 0.933 0.800 CB 1.240 16 residues pruned to eliminate duplicates Z: 16 13.820 1.786 0.540 0.632 0.933 0.800 CB 1.228 16 residues pruned to eliminate duplicates Z: 14 15.833 1.775 0.786 0.699 1.000 0.769 CB 1.155 14 residues pruned to eliminate duplicates Z: 17 14.550 1.727 0.741 0.669 0.938 0.750 CB 1.104 17 residues pruned to eliminate duplicates Z: 11 15.784 1.904 0.737 0.704 1.000 0.700 CB 1.253 11 residues pruned to eliminate duplicates Z: 16 15.790 1.754 0.784 0.662 0.933 0.800 CB 1.201 16 residues pruned to eliminate duplicates Z: 13 12.299 1.797 0.743 0.763 1.000 0.750 CB 0.897 13 residues pruned to eliminate duplicates Z: 14 10.505 1.796 0.619 0.766 1.000 0.538 CB 0.791 14 residues pruned to eliminate duplicates Z: 22 11.649 1.607 0.545 0.593 0.810 0.524 CB 1.156 22 residues pruned to eliminate duplicates Z: 28 21.278 1.842 0.600 0.700 1.000 0.593 CB 1.158 28 residues pruned to eliminate duplicates Z: 15 13.579 1.775 0.776 0.854 0.857 0.786 CB 0.992 15 residues pruned to eliminate duplicates Z: 30 22.555 1.809 0.744 0.746 0.931 0.690 CB 1.144 30 residues pruned to eliminate duplicates Z: 28 22.518 1.867 0.669 0.722 1.000 0.667 CB 1.138 28 residues pruned to eliminate duplicates Z: 17 10.783 1.798 0.517 0.475 1.000 0.438 CB 1.014 17 residues pruned to eliminate duplicates Z: 17 16.155 1.854 0.686 0.554 1.000 0.625 CB 1.225 17 residues pruned to eliminate duplicates Z: 16 14.269 1.868 0.660 0.554 1.000 0.800 CB 1.128 16 residues pruned to eliminate duplicates Z: 15 15.936 1.897 0.773 0.548 0.929 0.643 CB 1.302 15 residues pruned to eliminate duplicates Z: 14 15.729 1.898 0.765 0.568 1.000 0.692 CB 1.219 14 residues pruned to eliminate duplicates Z: 14 14.944 1.897 0.653 0.531 1.000 0.538 CB 1.282 14 residues pruned to eliminate duplicates Z: 12 18.083 1.925 0.716 0.621 1.000 0.636 CB 1.472 12 residues pruned to eliminate duplicates Z: 13 11.318 1.775 0.670 0.534 0.833 0.583 CB 1.280 13 residues pruned to eliminate duplicates Z: 25 23.586 1.851 0.826 0.729 0.958 0.583 CB 1.209 25 residues pruned to eliminate duplicates Z: 14 13.652 1.843 0.702 0.522 0.923 0.615 CB 1.279 14 residues pruned to eliminate duplicates Z: 13 19.868 1.907 0.795 0.603 1.000 0.500 CB 1.520 13 residues pruned to eliminate duplicates Z: 13 16.476 1.793 0.718 0.666 1.000 0.583 CB 1.323 13 residues pruned to eliminate duplicates Z: 12 8.759 1.529 0.914 0.431 0.818 0.727 CB 1.184 12 residues pruned to eliminate duplicates Z: 32 14.722 1.768 0.591 0.523 0.839 0.613 CB 1.095 32 residues pruned to eliminate duplicates Z: 13 7.688 1.787 0.405 0.433 0.750 0.583 N 1.263 13 residues pruned to eliminate duplicates Z: 10 9.557 1.693 0.597 0.513 0.889 0.667 N 1.310 10 residues pruned to eliminate duplicates Z: 10 11.402 1.710 0.487 0.640 1.000 0.889 N 1.312 10 residues pruned to eliminate duplicates Z: 14 8.395 1.646 0.782 0.387 0.923 0.615 CB 0.970 14 residues pruned to eliminate duplicates Z: 11 12.121 1.599 1.168 0.525 1.000 0.800 N 1.079 11 residues pruned to eliminate duplicates Z: 39 22.664 1.722 0.747 0.608 0.974 0.658 CB 1.133 33 residues pruned to eliminate duplicates Z: 13 10.478 1.651 0.449 0.880 0.917 0.833 CB 1.000 9 residues pruned to eliminate duplicates Z: 12 13.189 1.684 0.567 0.881 1.000 0.818 CB 1.092 12 residues pruned to eliminate duplicates Z: 13 15.718 1.783 0.660 0.874 1.000 0.833 CB 1.116 13 residues pruned to eliminate duplicates Z: 34 19.099 1.847 0.496 0.480 0.909 0.545 CB 1.350 71 residues pruned to eliminate duplicates Z: 11 18.508 1.815 0.706 0.882 1.000 0.800 CA 1.368 11 residues pruned to eliminate duplicates Z: 15 11.378 1.849 0.572 0.588 0.786 0.643 CB 1.224 15 residues pruned to eliminate duplicates Z: 13 16.311 1.862 0.666 0.613 0.917 0.750 CB 1.488 13 residues pruned to eliminate duplicates Z: 37 20.153 1.865 0.503 0.464 0.944 0.583 CB 1.316 44 residues pruned to eliminate duplicates Z: 13 15.495 1.900 0.686 0.561 0.917 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 38 20.132 1.922 0.569 0.467 0.811 0.432 CB 1.399 67 residues pruned to eliminate duplicates Z: 31 15.501 1.822 0.682 0.370 0.800 0.467 CB 1.326 31 residues pruned to eliminate duplicates Z: 44 19.757 1.980 0.587 0.374 0.837 0.558 CB 1.311 44 residues pruned to eliminate duplicates Z: 35 17.880 1.840 0.678 0.438 0.853 0.559 CB 1.242 35 residues pruned to eliminate duplicates Z: 24 10.989 1.829 0.301 0.315 0.870 0.478 N 1.358 Z: 7 7.512 1.452 0.718 0.511 1.000 0.500 CA 1.216 Z: 6 5.078 1.665 0.663 0.280 0.800 0.400 CB 1.313 6 residues pruned to eliminate duplicates Z: 21 16.561 1.895 0.516 0.501 0.900 0.650 CA 1.431 23 residues pruned to eliminate duplicates Z: 6 6.065 1.586 0.587 0.487 1.000 0.200 CB 1.091 6 residues pruned to eliminate duplicates Z: 30 13.895 1.818 0.356 0.474 0.897 0.621 CB 1.199 30 residues pruned to eliminate duplicates Z: 19 14.066 1.918 0.456 0.491 0.944 0.556 CB 1.268 19 residues pruned to eliminate duplicates Z: 19 12.629 1.757 0.522 0.449 1.000 0.556 CB 1.173 18 residues pruned to eliminate duplicates Z: 7 4.445 1.503 0.633 0.345 0.833 0.500 CA 1.050 7 residues pruned to eliminate duplicates Z: 33 15.871 1.840 0.629 0.480 0.875 0.688 CB 1.092 33 residues pruned to eliminate duplicates Z: 6 2.387 1.395 0.876 0.309 0.600 0.200 N 0.841 6 residues pruned to eliminate duplicates Z: 14 4.532 1.459 0.494 0.351 0.769 0.462 CB 0.881 8 residues pruned to eliminate duplicates Z: 9 5.726 1.265 0.469 0.835 0.875 0.500 N 0.933 9 residues pruned to eliminate duplicates Z: 35 24.398 1.830 0.605 0.688 1.000 0.588 CB 1.199 35 residues pruned to eliminate duplicates Z: 15 6.955 1.769 0.027 0.361 0.857 0.500 CB 1.386 15 residues pruned to eliminate duplicates Z: 26 19.222 1.825 0.487 0.615 0.960 0.480 CB 1.323 26 residues pruned to eliminate duplicates Z: 24 21.012 1.886 0.593 0.689 0.957 0.478 CB 1.282 24 residues pruned to eliminate duplicates Z: 33 23.610 1.860 0.548 0.704 1.000 0.656 CB 1.203 33 residues pruned to eliminate duplicates Z: 39 24.607 1.809 0.628 0.666 0.947 0.658 CB 1.227 39 residues pruned to eliminate duplicates Z: 26 25.995 1.860 0.626 0.787 1.000 0.640 CB 1.335 26 residues pruned to eliminate duplicates Z: 25 23.818 1.858 0.633 0.712 1.000 0.500 CB 1.322 25 residues pruned to eliminate duplicates Z: 26 23.333 1.847 0.615 0.722 0.960 0.400 CB 1.333 26 residues pruned to eliminate duplicates Z: 45 28.462 1.839 0.773 0.592 0.886 0.523 CB 1.359 79 residues pruned to eliminate duplicates Z: 16 27.789 1.983 0.801 0.946 1.000 1.000 CB 1.390 16 residues pruned to eliminate duplicates Z: 29 23.438 1.812 0.721 0.659 0.964 0.786 CB 1.271 29 residues pruned to eliminate duplicates Z: 24 29.506 1.903 0.744 0.792 0.957 0.652 CB 1.500 24 residues pruned to eliminate duplicates Z: 38 23.150 1.838 0.603 0.615 0.946 0.541 CB 1.225 32 residues pruned to eliminate duplicates Z: 18 23.647 1.872 0.879 0.888 0.882 0.529 CB 1.332 18 residues pruned to eliminate duplicates Z: 25 24.117 1.867 0.668 0.747 0.917 0.667 CB 1.383 25 residues pruned to eliminate duplicates Z: 23 30.311 1.915 0.799 0.773 0.955 0.591 CB 1.543 23 residues pruned to eliminate duplicates Z: 32 22.399 1.795 0.651 0.633 0.903 0.677 CB 1.326 32 residues pruned to eliminate duplicates Z: 30 23.330 1.829 0.604 0.672 0.966 0.759 CB 1.304 30 residues pruned to eliminate duplicates Z: 25 26.630 1.877 0.776 0.727 0.958 0.667 CB 1.387 25 residues pruned to eliminate duplicates Z: 32 20.811 1.796 0.517 0.684 0.935 0.613 CB 1.239 32 residues pruned to eliminate duplicates Z: 8 3.214 1.433 0.417 0.327 0.857 0.429 CB 0.844 5 residues pruned to eliminate duplicates Z: 6 3.273 1.607 0.514 0.303 1.000 0.600 CB 0.749 Z: 15 23.133 1.907 0.793 0.867 0.929 0.786 CA 1.424 15 residues pruned to eliminate duplicates Z: 16 15.623 1.810 0.478 0.797 0.867 0.733 CA 1.341 16 residues pruned to eliminate duplicates Z: 15 23.257 1.888 0.713 0.882 1.000 0.643 CA 1.391 15 residues pruned to eliminate duplicates Z: 16 21.771 1.799 0.700 0.821 1.000 0.733 CA 1.391 16 residues pruned to eliminate duplicates Z: 16 22.732 1.842 0.733 0.821 1.000 0.533 CA 1.392 16 residues pruned to eliminate duplicates Z: 17 19.029 1.742 0.775 0.709 0.938 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 17 20.392 1.784 0.820 0.739 0.938 0.688 CB 1.351 17 residues pruned to eliminate duplicates Z: 15 24.437 1.904 0.882 0.827 0.929 0.857 CA 1.479 15 residues pruned to eliminate duplicates Z: 16 22.471 1.841 0.877 0.777 0.933 0.600 CA 1.408 16 residues pruned to eliminate duplicates Z: 17 22.201 1.780 0.923 0.822 0.938 0.562 CA 1.308 17 residues pruned to eliminate duplicates Z: 16 22.016 1.810 0.754 0.852 1.000 0.600 CA 1.324 16 residues pruned to eliminate duplicates Z: 16 24.872 1.843 0.818 0.853 1.000 1.000 CB 1.417 16 residues pruned to eliminate duplicates Z: 16 22.816 1.829 0.920 0.800 0.933 0.733 CA 1.383 16 residues pruned to eliminate duplicates Z: 18 7.920 1.601 0.343 0.385 0.882 0.471 CB 1.144 17 residues pruned to eliminate duplicates Z: 6 2.292 1.495 0.257 0.276 0.600 0.400 CB 1.171 6 residues pruned to eliminate duplicates Z: 17 5.528 1.598 0.378 0.248 0.750 0.188 CB 1.119 17 residues pruned to eliminate duplicates Z: 9 6.934 1.478 0.889 0.443 0.875 0.625 N 1.065 9 residues pruned to eliminate duplicates Z: 23 16.686 1.839 0.617 0.614 0.864 0.591 CB 1.243 23 residues pruned to eliminate duplicates Z: 11 24.029 2.031 0.972 0.748 0.900 0.800 CA 1.688 11 residues pruned to eliminate duplicates Z: 22 17.160 1.790 0.818 0.494 0.857 0.476 CB 1.350 22 residues pruned to eliminate duplicates Z: 12 19.956 1.976 0.674 0.774 0.909 0.727 CB 1.570 12 residues pruned to eliminate duplicates Z: 17 18.218 1.878 0.983 0.693 0.875 0.688 CB 1.171 17 residues pruned to eliminate duplicates Z: 17 17.587 1.911 0.714 0.651 0.875 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 29 24.293 1.833 0.782 0.564 0.964 0.571 CB 1.369 27 residues pruned to eliminate duplicates Z: 21 19.071 1.848 0.629 0.760 0.850 0.600 CB 1.322 Z: 13 11.538 1.802 0.671 0.644 0.750 0.583 CB 1.289 13 residues pruned to eliminate duplicates Z: 35 23.764 1.882 0.515 0.577 0.971 0.647 CB 1.368 21 residues pruned to eliminate duplicates Z: 19 21.655 1.911 0.657 0.871 0.944 0.722 CA 1.245 19 residues pruned to eliminate duplicates Z: 35 25.083 1.906 0.638 0.604 0.971 0.588 CB 1.285 35 residues pruned to eliminate duplicates Z: 18 25.292 1.934 0.738 0.858 1.000 0.588 CA 1.344 18 residues pruned to eliminate duplicates Z: 33 21.452 1.897 0.579 0.604 0.906 0.594 CB 1.266 33 residues pruned to eliminate duplicates Z: 42 24.398 1.841 0.587 0.609 0.902 0.610 CB 1.303 73 residues pruned to eliminate duplicates Z: 17 20.878 1.968 0.577 0.832 1.000 0.750 CA 1.263 Z: 18 23.245 1.961 0.680 0.874 0.941 0.765 CA 1.323 17 residues pruned to eliminate duplicates Z: 18 17.597 1.957 0.320 0.871 0.882 0.765 CA 1.367 18 residues pruned to eliminate duplicates Z: 23 20.340 1.943 0.467 0.733 0.909 0.727 CB 1.357 21 residues pruned to eliminate duplicates Z: 19 20.862 1.940 0.484 0.822 1.000 0.667 CA 1.292 19 residues pruned to eliminate duplicates Z: 23 25.837 1.984 0.725 0.733 0.955 0.773 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 21.480 1.737 0.817 0.805 0.900 0.600 CA 1.295 20 residues pruned to eliminate duplicates Z: 17 22.452 2.032 0.545 0.868 0.938 0.812 CA 1.394 17 residues pruned to eliminate duplicates Z: 23 22.571 1.981 0.628 0.715 0.864 0.636 CB 1.422 23 residues pruned to eliminate duplicates Z: 26 27.686 1.912 0.719 0.810 0.920 0.760 CA 1.398 22 residues pruned to eliminate duplicates Z: 10 13.806 1.686 0.716 0.865 1.000 1.000 CA 1.165 10 residues pruned to eliminate duplicates Z: 63 32.192 2.003 0.573 0.458 0.968 0.645 CB 1.400 68 residues pruned to eliminate duplicates Z: 8 13.711 1.785 0.458 0.833 1.000 0.857 CA 1.494 8 residues pruned to eliminate duplicates Z: 33 23.214 1.926 0.567 0.601 0.938 0.656 CA 1.317 33 residues pruned to eliminate duplicates Z: 34 25.164 1.916 0.555 0.632 0.970 0.667 CB 1.339 34 residues pruned to eliminate duplicates Z: 72 28.821 1.969 0.599 0.403 0.901 0.521 CB 1.334 73 residues pruned to eliminate duplicates Z: 9 9.184 1.811 0.341 0.642 0.875 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 33 20.770 1.931 0.484 0.604 0.875 0.625 CB 1.327 33 residues pruned to eliminate duplicates Z: 32 27.884 1.955 0.694 0.598 1.000 0.581 CB 1.378 34 residues pruned to eliminate duplicates Z: 8 3.744 1.592 0.085 0.329 0.857 0.429 CB 1.153 8 residues pruned to eliminate duplicates Z: 40 23.234 1.834 0.547 0.550 0.923 0.590 CA 1.354 40 residues pruned to eliminate duplicates Z: 73 34.455 2.047 0.600 0.437 0.889 0.694 CB 1.489 73 residues pruned to eliminate duplicates Z: 76 31.623 1.981 0.599 0.436 0.880 0.600 CB 1.401 76 residues pruned to eliminate duplicates Z: 97 36.174 1.979 0.613 0.448 0.906 0.573 CB 1.347 97 residues pruned to eliminate duplicates Z: 63 29.253 1.978 0.565 0.450 0.903 0.548 CB 1.399 61 residues pruned to eliminate duplicates Z: 7 5.329 1.826 0.566 0.358 0.833 0.333 CB 1.063 7 residues pruned to eliminate duplicates Z: 29 21.772 2.093 0.580 0.327 0.964 0.536 CB 1.560 29 residues pruned to eliminate duplicates Z: 42 26.604 2.071 0.675 0.330 0.951 0.561 CB 1.517 42 residues pruned to eliminate duplicates Z: 44 22.589 2.094 0.550 0.301 0.930 0.558 CB 1.424 44 residues pruned to eliminate duplicates Z: 28 17.942 2.109 0.585 0.317 0.889 0.556 CB 1.423 28 residues pruned to eliminate duplicates Z: 29 19.043 2.122 0.485 0.319 0.929 0.679 CB 1.501 29 residues pruned to eliminate duplicates Z: 37 24.727 2.138 0.541 0.374 0.917 0.611 CA 1.562 37 residues pruned to eliminate duplicates Z: 12 11.216 1.998 0.601 0.484 0.909 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 26 16.197 2.112 0.382 0.315 0.840 0.600 CA 1.621 26 residues pruned to eliminate duplicates Z: 40 22.551 2.031 0.680 0.314 0.872 0.590 CB 1.492 40 residues pruned to eliminate duplicates Z: 34 15.756 2.049 0.430 0.291 0.848 0.545 CB 1.395 34 residues pruned to eliminate duplicates Z: 36 23.590 2.108 0.551 0.354 0.943 0.686 CB 1.514 36 residues pruned to eliminate duplicates Z: 46 25.531 2.075 0.569 0.419 0.911 0.644 CB 1.396 46 residues pruned to eliminate duplicates Z: 44 24.578 2.025 0.504 0.377 0.907 0.605 CB 1.547 44 residues pruned to eliminate duplicates Z: 35 22.719 2.099 0.620 0.295 0.912 0.618 CB 1.582 35 residues pruned to eliminate duplicates Z: 76 34.387 2.018 0.588 0.455 0.947 0.680 CB 1.370 75 residues pruned to eliminate duplicates Z: 8 4.730 1.824 0.273 0.404 0.857 0.429 CA 0.993 8 residues pruned to eliminate duplicates Z: 43 22.070 2.073 0.592 0.330 0.905 0.643 CB 1.374 43 residues pruned to eliminate duplicates Z: 74 33.362 2.022 0.576 0.452 0.904 0.658 CB 1.424 74 residues pruned to eliminate duplicates Z: 39 21.858 2.070 0.578 0.320 0.868 0.553 CB 1.523 39 residues pruned to eliminate duplicates Z: 38 26.121 2.115 0.636 0.356 0.919 0.703 CB 1.578 38 residues pruned to eliminate duplicates Z: 37 20.587 2.050 0.608 0.339 0.833 0.611 CB 1.489 37 residues pruned to eliminate duplicates Z: 43 26.993 2.081 0.677 0.359 0.952 0.714 CB 1.459 43 residues pruned to eliminate duplicates Z: 33 22.123 2.041 0.754 0.306 0.875 0.656 CB 1.549 33 residues pruned to eliminate duplicates Z: 35 21.956 2.087 0.588 0.303 0.912 0.559 CB 1.551 35 residues pruned to eliminate duplicates Z: 16 13.853 1.910 0.759 0.291 0.933 0.600 CA 1.442 16 residues pruned to eliminate duplicates Z: 39 21.357 2.059 0.616 0.333 0.895 0.632 CB 1.397 39 residues pruned to eliminate duplicates Z: 40 23.418 2.103 0.634 0.322 0.897 0.538 CB 1.480 40 residues pruned to eliminate duplicates Z: 74 31.348 1.988 0.665 0.381 0.918 0.534 CB 1.371 74 residues pruned to eliminate duplicates Z: 12 19.174 2.146 0.723 0.500 1.000 0.818 CB 1.564 12 residues pruned to eliminate duplicates Z: 50 27.591 2.037 0.657 0.353 0.939 0.571 CB 1.459 50 residues pruned to eliminate duplicates Z: 52 24.035 2.008 0.687 0.358 0.804 0.529 CB 1.441 52 residues pruned to eliminate duplicates Z: 38 23.840 2.134 0.686 0.398 0.865 0.649 CB 1.403 38 residues pruned to eliminate duplicates Z: 14 13.440 2.062 0.808 0.363 0.769 0.615 CB 1.505 14 residues pruned to eliminate duplicates Z: 23 11.642 1.831 0.649 0.495 0.727 0.545 CB 1.136 23 residues pruned to eliminate duplicates Z: 15 14.094 1.867 0.835 0.544 0.857 0.571 CB 1.229 15 residues pruned to eliminate duplicates Z: 16 16.694 1.829 0.801 0.498 0.933 0.467 CA 1.405 16 residues pruned to eliminate duplicates Z: 18 10.682 1.753 0.566 0.450 0.765 0.412 CB 1.299 18 residues pruned to eliminate duplicates Z: 22 14.727 1.833 0.609 0.494 0.952 0.476 CB 1.150 22 residues pruned to eliminate duplicates Z: 15 10.976 1.868 0.635 0.362 0.786 0.286 N 1.418 15 residues pruned to eliminate duplicates Z: 34 20.749 1.909 0.629 0.447 0.939 0.667 CB 1.306 34 residues pruned to eliminate duplicates Z: 24 15.275 1.853 0.525 0.454 1.000 0.478 CB 1.182 24 residues pruned to eliminate duplicates Z: 15 8.126 1.860 0.302 0.388 0.786 0.429 CB 1.285 15 residues pruned to eliminate duplicates Z: 93 33.628 1.973 0.676 0.440 0.837 0.630 CB 1.348 93 residues pruned to eliminate duplicates Z: 24 14.629 1.795 0.659 0.431 0.913 0.478 CB 1.205 22 residues pruned to eliminate duplicates Z: 8 11.429 1.770 0.537 0.866 1.000 0.714 CA 1.162 8 residues pruned to eliminate duplicates Z: 17 13.601 1.848 0.653 0.492 0.875 0.562 CB 1.282 17 residues pruned to eliminate duplicates Z: 24 14.525 1.841 0.608 0.408 0.870 0.478 CB 1.297 24 residues pruned to eliminate duplicates Z: 9 11.557 1.769 0.529 0.860 1.000 1.000 CB 1.111 9 residues pruned to eliminate duplicates Z: 25 14.813 1.848 0.596 0.425 0.833 0.500 CB 1.331 25 residues pruned to eliminate duplicates Z: 66 29.151 2.024 0.705 0.367 0.908 0.631 CB 1.331 66 residues pruned to eliminate duplicates Z: 65 23.373 1.956 0.633 0.347 0.859 0.469 CB 1.257 65 residues pruned to eliminate duplicates Z: 22 14.730 1.901 0.720 0.444 0.857 0.476 CB 1.215 22 residues pruned to eliminate duplicates Z: 10 7.295 1.645 0.487 0.465 0.889 0.667 CB 1.159 10 residues pruned to eliminate duplicates Z: 17 12.663 1.880 0.652 0.501 0.875 0.500 CB 1.163 17 residues pruned to eliminate duplicates Z: 22 12.850 1.825 0.530 0.448 0.905 0.667 CB 1.171 22 residues pruned to eliminate duplicates Z: 7 5.208 1.627 0.626 0.397 0.833 0.500 N 1.074 7 residues pruned to eliminate duplicates Z: 6 4.618 1.528 0.460 0.403 1.000 0.600 N 1.026 6 residues pruned to eliminate duplicates Z: 45 28.497 1.924 0.652 0.535 0.932 0.818 CB 1.401 45 residues pruned to eliminate duplicates Z: 40 34.854 1.987 0.679 0.616 1.000 0.795 CB 1.499 40 residues pruned to eliminate duplicates Z: 46 23.866 1.857 0.536 0.506 0.933 0.622 CB 1.330 46 residues pruned to eliminate duplicates Z: 32 19.768 1.898 0.610 0.497 0.903 0.613 CB 1.290 32 residues pruned to eliminate duplicates Z: 46 29.029 1.911 0.670 0.564 0.933 0.711 CB 1.365 46 residues pruned to eliminate duplicates Z: 38 19.964 1.861 0.528 0.517 0.892 0.703 CB 1.273 38 residues pruned to eliminate duplicates Z: 29 26.341 1.948 0.637 0.582 0.964 0.679 CB 1.496 29 residues pruned to eliminate duplicates Z: 58 28.970 1.885 0.576 0.542 0.965 0.667 CB 1.285 58 residues pruned to eliminate duplicates Z: 47 28.078 1.893 0.673 0.531 0.935 0.739 CB 1.356 47 residues pruned to eliminate duplicates Z: 46 29.308 1.952 0.443 0.587 1.000 0.733 CB 1.427 46 residues pruned to eliminate duplicates Z: 36 20.678 1.867 0.465 0.563 0.914 0.686 CB 1.315 36 residues pruned to eliminate duplicates Z: 42 28.814 1.850 0.667 0.634 0.976 0.805 CB 1.319 42 residues pruned to eliminate duplicates Z: 52 28.725 1.894 0.537 0.588 0.941 0.667 CB 1.350 52 residues pruned to eliminate duplicates Z: 28 25.009 1.926 0.545 0.684 0.963 0.852 CB 1.418 28 residues pruned to eliminate duplicates Z: 34 25.611 1.911 0.655 0.626 0.909 0.758 CA 1.377 34 residues pruned to eliminate duplicates Z: 33 23.460 1.886 0.613 0.626 0.875 0.719 CB 1.385 33 residues pruned to eliminate duplicates Z: 22 14.806 1.849 0.464 0.569 0.905 0.762 CB 1.234 22 residues pruned to eliminate duplicates Z: 50 29.684 1.907 0.610 0.590 0.918 0.735 CB 1.381 44 residues pruned to eliminate duplicates Z: 21 25.604 1.865 0.714 0.826 1.000 0.800 CA 1.350 21 residues pruned to eliminate duplicates Z: 40 34.603 1.985 0.786 0.600 0.949 0.821 CB 1.498 40 residues pruned to eliminate duplicates Z: 50 31.514 1.928 0.595 0.576 1.000 0.673 CB 1.360 50 residues pruned to eliminate duplicates Z: 49 28.675 1.931 0.596 0.551 0.938 0.625 CB 1.364 49 residues pruned to eliminate duplicates Z: 34 28.573 1.910 0.746 0.611 0.970 0.636 CB 1.384 34 residues pruned to eliminate duplicates Z: 40 34.185 1.979 0.726 0.612 0.974 0.795 CB 1.480 40 residues pruned to eliminate duplicates Z: 32 27.582 1.939 0.609 0.671 1.000 0.677 CB 1.356 32 residues pruned to eliminate duplicates Z: 39 27.411 1.902 0.560 0.689 0.974 0.842 CB 1.295 39 residues pruned to eliminate duplicates Z: 52 27.264 1.881 0.556 0.537 0.961 0.569 CB 1.309 52 residues pruned to eliminate duplicates Z: 47 32.341 1.930 0.736 0.525 0.935 0.696 CA 1.485 47 residues pruned to eliminate duplicates Z: 42 34.633 1.968 0.846 0.583 0.951 0.707 CB 1.445 42 residues pruned to eliminate duplicates Z: 13 15.708 1.876 0.796 0.447 1.000 0.583 CA 1.421 13 residues pruned to eliminate duplicates Z: 47 19.254 1.821 0.459 0.465 0.935 0.457 CB 1.184 47 residues pruned to eliminate duplicates Z: 45 33.039 1.927 0.711 0.604 1.000 0.682 CB 1.368 45 residues pruned to eliminate duplicates Z: 45 32.206 1.964 0.706 0.602 0.932 0.727 CB 1.412 45 residues pruned to eliminate duplicates Z: 37 27.417 1.922 0.729 0.626 0.944 0.778 CB 1.293 37 residues pruned to eliminate duplicates Z: 35 28.684 1.912 0.731 0.649 0.971 0.735 CB 1.332 35 residues pruned to eliminate duplicates Z: 33 29.446 1.888 0.767 0.638 0.969 0.688 CB 1.416 33 residues pruned to eliminate duplicates Z: 43 30.344 1.942 0.726 0.549 0.929 0.548 CB 1.434 43 residues pruned to eliminate duplicates Z: 52 29.905 1.884 0.661 0.584 0.922 0.608 CB 1.340 52 residues pruned to eliminate duplicates Z: 51 32.379 1.928 0.688 0.578 0.960 0.700 CB 1.360 51 residues pruned to eliminate duplicates Z: 56 30.073 1.910 0.614 0.556 0.964 0.655 CB 1.292 56 residues pruned to eliminate duplicates Z: 50 24.080 1.872 0.575 0.505 0.898 0.612 CB 1.292 50 residues pruned to eliminate duplicates Z: 40 24.212 1.904 0.590 0.603 0.923 0.667 CB 1.258 40 residues pruned to eliminate duplicates Z: 40 28.124 1.908 0.659 0.614 0.949 0.564 CB 1.346 40 residues pruned to eliminate duplicates Z: 14 5.619 1.704 0.150 0.453 0.923 0.462 CB 0.904 Z: 8 9.086 1.573 0.558 0.787 0.857 0.429 CA 1.270 Z: 9 6.558 1.465 0.210 0.745 0.875 0.500 CA 1.200 8 residues pruned to eliminate duplicates Z: 10 10.222 1.537 0.540 0.855 0.889 0.556 CB 1.196 8 residues pruned to eliminate duplicates Z: 11 11.932 1.421 0.790 0.846 0.900 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 9 8.483 1.560 0.527 0.799 0.875 0.375 CB 1.108 9 residues pruned to eliminate duplicates Z: 7 4.324 1.537 0.198 0.418 0.833 0.500 CA 1.253 7 residues pruned to eliminate duplicates Z: 6 2.570 1.463 0.044 0.629 0.800 0.600 CB 0.833 Z: 6 3.422 1.274 0.504 0.386 1.000 0.600 N 0.903 6 residues pruned to eliminate duplicates Z: 9 3.980 1.464 0.610 0.375 0.750 0.625 CB 0.909 9 residues pruned to eliminate duplicates Z: 10 5.439 1.566 0.520 0.451 0.889 0.444 CB 0.901 10 residues pruned to eliminate duplicates Z: 8 4.508 1.579 0.305 0.339 1.000 0.429 CB 0.985 8 residues pruned to eliminate duplicates Z: 8 4.819 1.583 0.220 0.295 1.000 0.571 O 1.186 8 residues pruned to eliminate duplicates Z: 8 3.911 1.849 0.321 0.247 0.714 0.571 CB 1.135 Z: 6 4.359 1.328 0.537 0.400 1.000 0.800 O 1.060 6 residues pruned to eliminate duplicates Z: 13 5.731 1.614 0.262 0.499 0.917 0.583 CB 0.887 13 residues pruned to eliminate duplicates Z: 6 4.470 1.290 0.641 0.436 1.000 0.600 CB 1.009 6 residues pruned to eliminate duplicates Z: 8 2.162 1.291 0.143 0.338 1.000 0.714 CB 0.662 8 residues pruned to eliminate duplicates Z: 21 7.426 1.552 0.467 0.414 0.900 0.550 CB 0.887 19 residues pruned to eliminate duplicates Z: 10 6.210 1.824 0.469 0.711 1.000 0.778 CB 0.638 10 residues pruned to eliminate duplicates Z: 38 14.370 1.771 0.555 0.431 0.892 0.622 CB 1.033 38 residues pruned to eliminate duplicates Z: 50 13.867 1.758 0.437 0.448 0.857 0.571 CB 0.965 50 residues pruned to eliminate duplicates Z: 24 12.771 1.863 0.388 0.502 0.870 0.696 CB 1.182 24 residues pruned to eliminate duplicates Z: 19 14.632 1.928 0.487 0.489 1.000 0.722 CB 1.216 19 residues pruned to eliminate duplicates Z: 23 10.142 1.816 0.403 0.440 0.818 0.500 CB 1.104 23 residues pruned to eliminate duplicates Z: 25 12.000 1.817 0.537 0.445 0.875 0.625 CB 1.060 25 residues pruned to eliminate duplicates Z: 14 7.914 1.749 0.490 0.473 1.000 0.385 CB 0.866 14 residues pruned to eliminate duplicates Z: 26 12.131 1.866 0.588 0.456 0.840 0.640 CB 1.020 26 residues pruned to eliminate duplicates Z: 36 14.085 1.794 0.520 0.399 0.857 0.600 CB 1.133 36 residues pruned to eliminate duplicates Z: 21 14.464 1.843 0.718 0.481 0.950 0.750 CB 1.097 21 residues pruned to eliminate duplicates Z: 23 13.926 1.869 0.589 0.465 0.955 0.591 CB 1.085 23 residues pruned to eliminate duplicates Z: 32 25.109 1.947 0.620 0.723 0.968 0.710 CB 1.208 32 residues pruned to eliminate duplicates Z: 33 26.818 1.948 0.741 0.710 0.969 0.750 CB 1.193 33 residues pruned to eliminate duplicates Z: 24 17.987 1.956 0.534 0.688 1.000 0.826 CB 1.051 24 residues pruned to eliminate duplicates Z: 32 29.250 1.981 0.763 0.737 0.968 0.742 CB 1.256 32 residues pruned to eliminate duplicates Z: 7 5.582 1.589 0.731 0.408 0.833 0.833 CA 1.094 7 residues pruned to eliminate duplicates Z: 34 26.060 1.941 0.718 0.668 0.970 0.727 CB 1.201 31 residues pruned to eliminate duplicates Z: 7 5.728 1.862 0.313 0.541 1.000 0.833 CA 0.919 7 residues pruned to eliminate duplicates Z: 32 27.640 1.998 0.603 0.724 1.000 0.839 CB 1.266 35 residues pruned to eliminate duplicates Z: 7 5.798 1.617 0.397 0.757 1.000 0.667 CA 0.834 7 residues pruned to eliminate duplicates Z: 31 27.685 1.987 0.675 0.737 1.000 0.933 CB 1.228 31 residues pruned to eliminate duplicates Z: 34 25.591 1.942 0.619 0.739 1.000 0.818 CB 1.144 34 residues pruned to eliminate duplicates Z: 33 24.314 1.962 0.582 0.704 0.969 0.750 CB 1.186 33 residues pruned to eliminate duplicates Z: 32 24.221 1.965 0.635 0.702 0.968 0.774 CB 1.164 32 residues pruned to eliminate duplicates Z: 30 29.918 1.998 0.797 0.732 0.966 0.862 CB 1.301 30 residues pruned to eliminate duplicates Z: 15 20.240 1.988 0.874 0.904 1.000 0.857 CB 1.035 15 residues pruned to eliminate duplicates Z: 31 25.018 1.962 0.589 0.688 0.967 0.767 CB 1.275 31 residues pruned to eliminate duplicates Z: 32 27.812 1.987 0.677 0.727 1.000 0.774 CB 1.222 32 residues pruned to eliminate duplicates Z: 33 26.757 1.956 0.666 0.739 0.969 0.844 CB 1.210 33 residues pruned to eliminate duplicates Z: 32 27.218 1.966 0.764 0.714 0.968 0.677 CB 1.200 31 residues pruned to eliminate duplicates Z: 16 17.822 1.992 0.680 0.915 0.933 0.533 CB 1.042 16 residues pruned to eliminate duplicates Z: 32 23.910 1.950 0.665 0.703 0.935 0.742 CB 1.175 32 residues pruned to eliminate duplicates Z: 31 26.691 1.973 0.588 0.694 0.967 0.867 CB 1.348 31 residues pruned to eliminate duplicates Z: 33 24.213 1.961 0.605 0.713 0.938 0.781 CB 1.196 33 residues pruned to eliminate duplicates Z: 33 26.911 1.966 0.679 0.703 0.969 0.781 CB 1.236 33 residues pruned to eliminate duplicates Z: 33 24.684 1.950 0.538 0.702 0.969 0.844 CB 1.249 33 residues pruned to eliminate duplicates Z: 32 28.326 1.983 0.656 0.744 1.000 0.871 CB 1.245 33 residues pruned to eliminate duplicates Z: 17 21.622 2.008 0.762 0.871 1.000 0.688 CB 1.114 17 residues pruned to eliminate duplicates Z: 33 25.398 1.959 0.675 0.711 0.938 0.781 CB 1.205 33 residues pruned to eliminate duplicates Z: 11 10.833 1.439 0.459 0.856 1.000 0.900 CA 1.204 11 residues pruned to eliminate duplicates Z: 8 11.183 1.656 0.644 0.800 0.857 0.857 CA 1.393 8 residues pruned to eliminate duplicates Z: 9 9.160 1.559 0.551 0.700 0.875 0.625 N 1.276 9 residues pruned to eliminate duplicates Z: 15 6.814 1.504 0.728 0.420 0.786 0.286 CB 0.969 15 residues pruned to eliminate duplicates Z: 12 6.631 1.586 0.462 0.511 0.727 0.273 CB 1.173 12 residues pruned to eliminate duplicates Z: 11 6.536 1.579 0.451 0.578 0.800 0.200 CB 1.047 11 residues pruned to eliminate duplicates Z: 11 9.239 1.571 0.597 0.620 0.800 0.400 CB 1.300 15 residues pruned to eliminate duplicates Z: 9 12.912 1.600 0.668 0.833 1.000 0.625 CA 1.283 9 residues pruned to eliminate duplicates 735 residues left after pruning, divided into chains as follows: A: 8 B: 15 C: 7 D: 15 E: 6 F: 15 G: 9 H: 8 I: 68 J: 22 K: 20 L: 7 M: 10 N: 87 O: 6 P: 110 Q: 97 R: 10 S: 11 T: 6 U: 8 V: 52 W: 122 X: 16 CC for partial structure against native data = 38.75 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.484, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.554, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.657, Connect. = 0.770 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.685, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.687, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.688, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.689, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3228 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 779 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 22.237 1.961 0.609 0.866 0.933 0.733 CA 1.427 B: 12 18.876 1.882 0.674 0.905 1.000 0.727 CB 1.285 C: 15 21.852 1.981 0.512 0.886 0.929 0.857 CA 1.515 15 residues pruned to eliminate duplicates D: 16 23.466 1.823 0.710 0.937 1.000 0.600 CA 1.352 12 residues pruned to eliminate duplicates E: 20 22.702 1.745 0.602 0.876 1.000 0.789 CB 1.354 F: 26 19.886 1.937 0.641 0.572 0.840 0.560 CB 1.389 G: 13 21.114 2.086 0.849 0.632 0.833 0.583 N 1.675 13 residues pruned to eliminate duplicates H: 30 21.404 1.880 0.477 0.679 0.897 0.690 CB 1.354 15 residues pruned to eliminate duplicates I: 31 24.156 1.928 0.455 0.679 0.967 0.567 CB 1.379 31 residues pruned to eliminate duplicates J: 6 6.281 1.632 1.095 0.803 0.800 0.600 N 0.788 K: 13 16.523 1.939 0.602 0.678 0.917 0.667 CB 1.422 L: 11 8.405 1.962 0.210 0.423 0.800 0.500 CB 1.516 M: 21 11.469 1.851 0.441 0.329 0.850 0.500 CB 1.364 N: 19 12.940 1.752 0.737 0.529 0.889 0.611 CB 1.096 19 residues pruned to eliminate duplicates O: 40 23.727 2.124 0.547 0.350 0.897 0.667 CB 1.516 6 residues pruned to eliminate duplicates P: 15 20.623 1.935 0.556 0.907 0.929 0.857 CB 1.401 15 residues pruned to eliminate duplicates Q: 15 26.230 1.863 0.885 0.916 1.000 0.643 CB 1.409 15 residues pruned to eliminate duplicates R: 31 31.346 1.997 0.728 0.716 0.933 0.733 CB 1.462 26 residues pruned to eliminate duplicates S: 15 20.229 1.788 0.639 0.926 1.000 0.786 CB 1.295 15 residues pruned to eliminate duplicates T: 18 20.839 1.821 0.527 0.859 1.000 0.647 CA 1.337 16 residues pruned to eliminate duplicates U: 14 23.466 2.038 0.689 0.850 1.000 0.692 CB 1.399 V: 18 25.591 1.932 0.867 0.863 0.941 0.588 CB 1.342 W: 27 14.177 1.912 0.364 0.497 0.885 0.692 CA 1.208 X: 8 12.869 1.732 1.118 0.525 0.857 0.714 CA 1.509 Y: 14 8.678 1.889 0.186 0.410 0.846 0.538 CB 1.396 10 residues pruned to eliminate duplicates Z: 19 26.016 1.935 0.662 0.855 1.000 0.667 CB 1.407 14 residues pruned to eliminate duplicates Z: 13 5.209 1.644 0.477 0.228 0.833 0.417 N 1.021 Z: 41 22.804 2.054 0.564 0.364 0.925 0.625 CB 1.404 35 residues pruned to eliminate duplicates Z: 11 14.763 1.932 0.679 0.641 0.900 0.700 CA 1.402 Z: 9 22.893 1.998 0.811 0.807 1.000 0.875 CA 1.712 Z: 9 5.240 1.641 0.691 0.466 0.875 0.500 N 0.789 Z: 35 24.328 1.920 0.617 0.682 0.971 0.794 CB 1.171 Z: 18 18.359 1.827 0.460 0.884 0.941 0.882 CB 1.282 8 residues pruned to eliminate duplicates Z: 47 24.346 1.927 0.644 0.521 0.913 0.609 CB 1.216 32 residues pruned to eliminate duplicates Z: 114 51.035 1.951 0.688 0.636 0.973 0.690 CB 1.319 100 residues pruned to eliminate duplicates Z: 36 12.318 1.774 0.400 0.430 0.914 0.514 CB 0.986 Z: 15 23.902 1.889 0.675 0.904 1.000 0.929 CA 1.438 Z: 11 9.648 1.865 0.531 0.452 0.800 0.500 CB 1.403 Z: 8 10.660 1.856 0.339 0.887 1.000 1.000 CB 1.169 8 residues pruned to eliminate duplicates Z: 17 21.156 1.803 0.572 0.849 0.938 0.750 CA 1.475 17 residues pruned to eliminate duplicates Z: 18 21.704 1.826 0.540 0.910 0.941 0.706 CA 1.411 17 residues pruned to eliminate duplicates Z: 19 11.937 1.806 0.627 0.444 0.833 0.611 CB 1.217 3 residues pruned to eliminate duplicates Z: 18 22.582 1.995 0.563 0.867 0.941 0.706 CA 1.365 18 residues pruned to eliminate duplicates Z: 15 20.382 1.917 0.343 0.903 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates 6 1.959 1.250 0.371 0.420 0.800 0.600 CB 0.694 ? Z: 15 15.957 1.921 0.276 0.917 1.000 0.929 CB 1.228 Z: 16 23.296 1.972 1.104 0.880 1.000 0.467 CB 1.051 16 residues pruned to eliminate duplicates Z: 16 21.362 1.995 0.870 0.908 1.000 0.800 CB 1.050 16 residues pruned to eliminate duplicates Z: 33 21.293 1.904 0.540 0.565 0.938 0.625 CB 1.286 31 residues pruned to eliminate duplicates Z: 29 28.218 1.856 0.683 0.678 0.964 0.750 CB 1.503 29 residues pruned to eliminate duplicates Z: 21 30.661 1.855 1.039 0.853 1.000 0.600 CA 1.339 21 residues pruned to eliminate duplicates Z: 28 11.587 1.790 0.331 0.373 0.926 0.556 CB 1.157 28 residues pruned to eliminate duplicates Z: 50 21.035 1.835 0.363 0.588 0.898 0.673 CB 1.230 55 residues pruned to eliminate duplicates Z: 12 4.282 1.493 0.383 0.375 0.818 0.636 CB 0.873 14 residues pruned to eliminate duplicates Z: 12 11.408 1.674 0.832 0.456 0.909 0.545 CA 1.290 Z: 16 25.864 2.018 0.736 0.866 1.000 0.733 CA 1.396 16 residues pruned to eliminate duplicates Z: 15 14.250 1.871 0.738 0.452 0.857 0.571 CA 1.435 16 residues pruned to eliminate duplicates Z: 48 33.500 1.976 0.786 0.571 0.872 0.702 CB 1.482 48 residues pruned to eliminate duplicates Z: 18 18.023 1.914 0.579 0.819 0.824 0.706 CB 1.331 18 residues pruned to eliminate duplicates Z: 20 19.143 1.915 0.414 0.901 1.000 0.842 CA 1.158 20 residues pruned to eliminate duplicates Z: 6 6.123 1.738 0.169 0.455 1.000 0.400 CA 1.411 6 residues pruned to eliminate duplicates Z: 6 4.724 1.580 0.354 0.524 1.000 1.000 CA 0.964 Z: 15 14.986 1.931 0.595 0.547 0.929 0.643 CB 1.337 15 residues pruned to eliminate duplicates Z: 21 11.007 1.831 0.850 0.342 0.800 0.550 CB 1.080 Z: 12 16.887 1.914 0.626 0.582 1.000 0.727 CB 1.512 13 residues pruned to eliminate duplicates Z: 19 20.689 1.781 0.516 0.902 1.000 0.722 CB 1.288 19 residues pruned to eliminate duplicates Z: 32 23.092 2.046 0.453 0.682 0.903 0.742 CB 1.307 32 residues pruned to eliminate duplicates Z: 20 27.966 1.855 1.035 0.842 0.947 0.474 CB 1.337 20 residues pruned to eliminate duplicates Z: 21 21.329 1.869 0.714 0.810 0.900 0.700 CA 1.263 21 residues pruned to eliminate duplicates Z: 19 13.935 2.017 0.454 0.407 0.778 0.556 CB 1.589 19 residues pruned to eliminate duplicates Z: 13 5.687 1.370 0.415 0.397 0.833 0.417 CA 1.133 13 residues pruned to eliminate duplicates Z: 14 15.449 1.660 0.737 0.628 0.923 0.692 O 1.427 12 residues pruned to eliminate duplicates Z: 35 23.397 2.171 0.519 0.399 0.882 0.647 CB 1.534 35 residues pruned to eliminate duplicates Z: 9 8.254 1.722 0.052 0.849 1.000 0.875 CB 1.193 9 residues pruned to eliminate duplicates Z: 17 22.924 1.918 0.680 0.898 0.938 0.625 CB 1.358 17 residues pruned to eliminate duplicates Z: 6 3.644 1.632 0.036 0.826 0.800 0.600 CA 0.909 Z: 24 14.917 1.812 0.444 0.600 0.870 0.522 CB 1.242 20 residues pruned to eliminate duplicates Z: 16 13.402 1.905 0.720 0.333 0.867 0.533 CB 1.463 16 residues pruned to eliminate duplicates Z: 11 11.290 1.611 0.608 0.550 1.000 0.600 N 1.313 Z: 15 19.171 1.837 0.447 0.923 1.000 0.786 CA 1.355 15 residues pruned to eliminate duplicates Z: 16 21.717 1.829 0.978 0.884 0.933 0.733 CB 1.200 15 residues pruned to eliminate duplicates Z: 15 24.081 1.880 0.745 0.907 0.929 0.857 CA 1.502 15 residues pruned to eliminate duplicates Z: 17 9.799 1.760 0.501 0.333 0.812 0.562 CB 1.371 17 residues pruned to eliminate duplicates Z: 42 21.845 2.002 0.496 0.327 0.951 0.537 CB 1.448 39 residues pruned to eliminate duplicates Z: 20 15.736 1.974 0.407 0.621 0.895 0.632 CB 1.295 20 residues pruned to eliminate duplicates Z: 14 20.105 1.891 1.018 0.922 1.000 0.923 CB 1.028 14 residues pruned to eliminate duplicates Z: 9 6.625 1.682 0.237 0.573 0.875 0.750 N 1.199 6 residues pruned to eliminate duplicates Z: 17 17.852 1.947 0.293 0.917 1.000 0.750 CA 1.251 18 residues pruned to eliminate duplicates Z: 14 23.187 1.980 0.540 0.921 1.000 0.846 CB 1.485 14 residues pruned to eliminate duplicates Z: 14 13.091 1.864 0.374 0.727 1.000 1.000 CB 1.156 14 residues pruned to eliminate duplicates Z: 37 24.907 2.121 0.553 0.386 0.944 0.694 CB 1.506 37 residues pruned to eliminate duplicates Z: 13 14.220 1.928 0.505 0.495 0.917 0.500 CB 1.550 14 residues pruned to eliminate duplicates Z: 16 25.846 1.912 0.730 0.926 0.933 0.933 CB 1.515 16 residues pruned to eliminate duplicates Z: 7 5.457 1.640 0.324 0.670 0.667 0.500 CA 1.315 7 residues pruned to eliminate duplicates Z: 8 5.530 1.492 0.660 0.644 0.714 0.714 N 1.033 8 residues pruned to eliminate duplicates Z: 16 20.863 1.956 0.522 0.877 0.933 0.800 CA 1.407 16 residues pruned to eliminate duplicates Z: 19 8.425 1.688 0.310 0.483 0.833 0.556 CB 1.096 Z: 8 6.147 1.386 0.324 0.767 0.857 0.714 CA 1.165 Z: 21 14.565 1.812 0.601 0.435 0.900 0.550 CB 1.334 21 residues pruned to eliminate duplicates Z: 15 9.827 1.867 0.447 0.304 0.857 0.500 CB 1.411 17 residues pruned to eliminate duplicates Z: 15 8.024 1.738 0.601 0.330 0.786 0.429 CB 1.183 15 residues pruned to eliminate duplicates Z: 36 21.197 2.118 0.413 0.367 0.914 0.514 CA 1.511 36 residues pruned to eliminate duplicates Z: 29 20.920 1.782 0.798 0.596 0.857 0.571 CB 1.314 38 residues pruned to eliminate duplicates Z: 6 6.489 1.469 0.528 0.561 1.000 0.800 N 1.218 Z: 12 16.090 1.834 0.606 0.913 0.909 0.727 CB 1.282 12 residues pruned to eliminate duplicates Z: 21 14.834 1.881 0.749 0.562 0.950 0.600 CB 1.000 21 residues pruned to eliminate duplicates Z: 13 4.777 1.791 0.255 0.271 0.667 0.250 CB 1.193 Z: 15 11.411 1.770 0.560 0.496 0.786 0.500 N 1.411 Z: 11 13.112 1.809 0.531 0.858 0.900 0.800 CB 1.225 Z: 36 19.798 1.900 0.574 0.529 0.829 0.543 CB 1.312 36 residues pruned to eliminate duplicates Z: 14 17.735 1.973 0.775 0.614 0.923 0.615 CB 1.365 14 residues pruned to eliminate duplicates Z: 38 17.581 1.867 0.609 0.320 0.919 0.541 CB 1.277 17 residues pruned to eliminate duplicates Z: 82 40.092 1.970 0.716 0.594 0.901 0.605 CB 1.337 82 residues pruned to eliminate duplicates Z: 14 23.414 1.892 0.856 0.892 0.923 0.538 CB 1.439 14 residues pruned to eliminate duplicates Z: 6 7.675 1.693 0.598 0.675 0.800 0.600 N 1.351 Z: 10 10.463 1.690 0.215 0.873 1.000 0.889 CB 1.237 9 residues pruned to eliminate duplicates Z: 26 22.085 1.819 0.534 0.724 0.960 0.800 CB 1.348 26 residues pruned to eliminate duplicates Z: 15 26.340 1.847 0.924 0.921 1.000 0.714 CA 1.394 15 residues pruned to eliminate duplicates Z: 11 12.525 1.894 0.330 0.827 0.900 0.800 CA 1.316 11 residues pruned to eliminate duplicates Z: 13 17.890 1.930 0.546 0.751 1.000 0.917 CB 1.383 15 residues pruned to eliminate duplicates Z: 20 22.670 1.940 0.714 0.821 0.947 0.737 CA 1.251 20 residues pruned to eliminate duplicates Z: 16 12.624 1.945 0.309 0.909 1.000 0.867 CB 0.909 16 residues pruned to eliminate duplicates Z: 14 15.953 1.807 0.682 0.689 0.923 0.769 CB 1.326 9 residues pruned to eliminate duplicates Z: 18 24.296 1.980 0.711 0.855 0.941 0.647 CA 1.364 18 residues pruned to eliminate duplicates Z: 15 20.693 1.947 0.692 0.919 0.929 0.857 CB 1.274 15 residues pruned to eliminate duplicates Z: 8 7.391 1.663 0.333 0.549 0.857 0.571 CA 1.401 8 residues pruned to eliminate duplicates Z: 9 13.775 1.822 0.603 0.723 1.000 0.625 N 1.363 10 residues pruned to eliminate duplicates Z: 13 16.569 1.924 0.625 0.530 1.000 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 20 14.493 1.885 0.628 0.396 0.842 0.474 CB 1.436 20 residues pruned to eliminate duplicates Z: 98 35.534 1.973 0.545 0.455 0.928 0.608 CB 1.335 83 residues pruned to eliminate duplicates Z: 23 18.033 1.896 0.439 0.673 1.000 0.727 CB 1.201 23 residues pruned to eliminate duplicates Z: 7 3.409 1.388 0.013 0.762 0.833 0.667 CA 0.941 Z: 25 19.830 1.918 0.549 0.759 0.917 0.792 CB 1.181 25 residues pruned to eliminate duplicates Z: 33 15.413 1.850 0.510 0.350 0.906 0.438 CB 1.267 33 residues pruned to eliminate duplicates Z: 9 4.298 1.545 0.518 0.388 0.625 0.375 CB 1.167 Z: 19 16.266 1.924 0.593 0.739 0.833 0.500 CB 1.212 19 residues pruned to eliminate duplicates Z: 8 8.009 1.925 -0.080 0.846 1.000 0.857 CA 1.270 8 residues pruned to eliminate duplicates Z: 24 13.612 1.973 0.384 0.315 0.957 0.609 CB 1.333 24 residues pruned to eliminate duplicates Z: 13 18.077 1.989 0.576 0.932 0.917 0.833 CB 1.268 13 residues pruned to eliminate duplicates Z: 10 14.710 1.879 0.399 0.655 1.000 0.778 N 1.615 7 residues pruned to eliminate duplicates Z: 11 7.194 1.785 0.090 0.777 1.000 0.900 CB 0.915 Z: 20 14.476 1.711 0.290 0.807 1.000 0.842 CA 1.151 20 residues pruned to eliminate duplicates Z: 54 22.954 1.813 0.424 0.590 0.943 0.717 CB 1.187 53 residues pruned to eliminate duplicates Z: 19 13.483 1.900 0.429 0.489 0.833 0.444 CB 1.421 10 residues pruned to eliminate duplicates Z: 8 10.864 1.768 0.501 0.580 1.000 0.714 CB 1.432 Z: 33 14.442 1.859 0.511 0.377 0.875 0.625 CB 1.185 34 residues pruned to eliminate duplicates Z: 15 25.032 2.022 1.094 0.930 1.000 0.857 CB 1.104 15 residues pruned to eliminate duplicates Z: 16 22.852 1.917 0.528 0.896 0.933 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 10 11.905 1.731 0.718 0.760 1.000 0.667 CB 1.059 Z: 6 3.090 1.497 0.501 0.588 0.800 0.400 CA 0.706 6 residues pruned to eliminate duplicates Z: 6 3.030 1.614 0.389 0.473 0.600 0.600 CB 1.036 Z: 7 7.019 1.632 0.407 0.499 1.000 0.667 CB 1.250 7 residues pruned to eliminate duplicates Z: 18 9.858 1.870 0.386 0.476 0.882 0.471 CB 1.071 18 residues pruned to eliminate duplicates Z: 19 11.337 1.834 0.481 0.546 0.889 0.722 CB 1.058 19 residues pruned to eliminate duplicates Z: 35 20.162 1.899 0.592 0.484 0.912 0.588 CB 1.275 35 residues pruned to eliminate duplicates Z: 32 19.584 2.071 0.614 0.296 0.871 0.613 CB 1.517 32 residues pruned to eliminate duplicates Z: 13 15.179 1.787 0.564 0.905 1.000 0.917 CB 1.116 10 residues pruned to eliminate duplicates Z: 15 16.183 1.837 0.722 0.560 0.929 0.643 N 1.390 15 residues pruned to eliminate duplicates Z: 8 7.937 1.705 0.837 0.583 0.714 0.571 N 1.239 Z: 18 24.239 1.827 0.792 0.800 1.000 0.882 CB 1.382 12 residues pruned to eliminate duplicates Z: 11 13.492 1.801 0.280 0.900 1.000 0.900 CB 1.322 11 residues pruned to eliminate duplicates Z: 19 19.303 1.809 0.414 0.885 1.000 0.778 CB 1.284 19 residues pruned to eliminate duplicates Z: 9 11.311 1.945 0.313 0.641 1.000 0.875 N 1.372 9 residues pruned to eliminate duplicates Z: 26 22.543 2.004 0.677 0.638 0.800 0.600 CB 1.473 26 residues pruned to eliminate duplicates Z: 36 22.693 1.904 0.623 0.593 0.914 0.714 CB 1.241 37 residues pruned to eliminate duplicates Z: 6 5.734 1.851 0.130 0.762 1.000 0.800 CB 0.971 6 residues pruned to eliminate duplicates Z: 12 10.579 1.371 0.756 0.837 1.000 0.727 CA 0.991 9 residues pruned to eliminate duplicates Z: 9 9.397 1.800 0.169 0.761 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 14 13.854 1.842 0.627 0.490 0.846 0.615 CB 1.530 14 residues pruned to eliminate duplicates Z: 18 32.910 1.984 0.969 0.885 1.000 0.706 CA 1.475 18 residues pruned to eliminate duplicates Z: 20 25.542 1.920 0.682 0.881 1.000 0.632 CA 1.314 20 residues pruned to eliminate duplicates Z: 7 4.628 1.725 -0.058 0.377 1.000 0.667 N 1.325 5 residues pruned to eliminate duplicates Z: 25 17.665 1.697 0.651 0.616 0.958 0.750 CB 1.204 20 residues pruned to eliminate duplicates Z: 21 15.667 1.852 0.542 0.401 0.950 0.550 CB 1.433 21 residues pruned to eliminate duplicates Z: 16 12.837 1.865 0.682 0.597 0.867 0.533 CB 1.111 16 residues pruned to eliminate duplicates Z: 13 5.652 1.644 0.459 0.331 0.750 0.333 N 1.092 9 residues pruned to eliminate duplicates Z: 7 6.417 1.735 0.704 0.617 0.833 0.500 CB 0.952 Z: 16 18.011 2.006 0.508 0.909 1.000 0.800 CB 1.091 16 residues pruned to eliminate duplicates Z: 8 6.072 1.453 0.639 0.741 1.000 0.714 CB 0.777 Z: 18 27.082 1.958 0.756 0.857 1.000 0.765 CA 1.409 18 residues pruned to eliminate duplicates Z: 6 7.040 1.976 0.209 0.717 1.000 0.800 CB 1.083 6 residues pruned to eliminate duplicates Z: 9 7.378 1.915 0.163 0.524 0.750 0.625 CB 1.525 9 residues pruned to eliminate duplicates Z: 13 20.090 2.025 0.795 0.919 0.833 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 6 2.830 1.819 -0.400 0.404 0.800 0.400 O 1.604 Z: 11 11.490 1.596 0.439 0.865 1.000 0.800 CA 1.159 11 residues pruned to eliminate duplicates Z: 14 17.329 1.915 0.625 0.611 1.000 0.692 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 11.953 1.916 0.297 0.554 0.917 0.500 CA 1.438 13 residues pruned to eliminate duplicates Z: 12 20.599 2.122 0.889 0.465 1.000 0.818 CA 1.605 12 residues pruned to eliminate duplicates Z: 12 23.881 1.928 0.789 0.855 1.000 0.909 CB 1.541 16 residues pruned to eliminate duplicates Z: 13 15.366 1.686 0.839 0.758 0.917 0.833 CB 1.241 13 residues pruned to eliminate duplicates Z: 16 20.158 1.761 0.580 0.925 1.000 0.800 CA 1.312 16 residues pruned to eliminate duplicates Z: 7 3.447 1.284 0.421 0.753 0.833 0.833 CA 0.738 7 residues pruned to eliminate duplicates Z: 6 3.723 1.955 0.027 0.378 0.600 0.600 N 1.574 6 residues pruned to eliminate duplicates Z: 12 13.898 1.911 0.585 0.711 0.909 0.727 CB 1.256 Z: 10 5.960 1.688 0.220 0.498 0.889 0.556 CB 1.087 10 residues pruned to eliminate duplicates Z: 13 18.363 1.787 0.832 0.918 1.000 0.833 CB 1.142 13 residues pruned to eliminate duplicates Z: 10 9.536 1.633 0.441 0.871 0.889 0.778 CA 1.108 7 residues pruned to eliminate duplicates Z: 16 16.494 1.825 0.586 0.874 0.867 0.733 CA 1.236 16 residues pruned to eliminate duplicates Z: 18 31.648 1.977 1.003 0.882 1.000 0.588 CB 1.403 18 residues pruned to eliminate duplicates Z: 23 23.089 1.958 0.725 0.586 0.909 0.591 CB 1.476 23 residues pruned to eliminate duplicates Z: 7 8.492 1.625 0.372 0.825 1.000 1.000 CA 1.174 7 residues pruned to eliminate duplicates Z: 18 17.420 1.943 0.658 0.870 0.765 0.588 CB 1.251 18 residues pruned to eliminate duplicates Z: 18 20.549 1.821 0.571 0.847 0.941 0.706 CA 1.374 18 residues pruned to eliminate duplicates Z: 25 14.048 1.937 0.357 0.538 0.875 0.750 CA 1.201 25 residues pruned to eliminate duplicates Z: 8 5.464 1.706 0.397 0.291 0.857 0.429 CB 1.277 Z: 7 3.571 1.348 0.328 0.774 0.833 0.667 CA 0.767 7 residues pruned to eliminate duplicates Z: 11 5.028 1.725 0.279 0.574 0.900 0.600 CB 0.745 Z: 30 19.649 1.835 0.348 0.657 0.931 0.655 CB 1.369 33 residues pruned to eliminate duplicates Z: 11 14.252 1.907 0.362 0.816 1.000 0.900 CA 1.319 11 residues pruned to eliminate duplicates Z: 18 21.311 1.846 0.652 0.822 0.882 0.588 CB 1.453 18 residues pruned to eliminate duplicates Z: 18 9.914 1.674 0.457 0.570 0.941 0.647 CB 0.979 18 residues pruned to eliminate duplicates Z: 17 20.859 1.859 0.786 0.877 0.875 0.750 CB 1.304 17 residues pruned to eliminate duplicates Z: 8 8.155 1.646 0.336 0.719 1.000 0.714 N 1.149 10 residues pruned to eliminate duplicates Z: 18 22.878 1.863 0.664 0.899 1.000 0.824 CB 1.279 18 residues pruned to eliminate duplicates Z: 24 20.976 1.781 0.663 0.600 0.957 0.783 CB 1.403 23 residues pruned to eliminate duplicates Z: 10 12.220 1.763 0.731 0.578 0.889 0.667 CA 1.393 Z: 9 11.226 1.679 0.629 0.765 1.000 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 8 3.599 1.758 0.084 0.353 0.714 0.429 CB 1.171 8 residues pruned to eliminate duplicates Z: 27 15.732 2.074 0.445 0.351 0.885 0.615 CB 1.367 27 residues pruned to eliminate duplicates Z: 9 11.220 1.798 0.524 0.818 1.000 0.750 CB 1.099 9 residues pruned to eliminate duplicates Z: 10 3.465 1.509 0.176 0.250 0.778 0.556 CB 1.115 Z: 23 12.929 1.795 0.429 0.565 0.818 0.636 CB 1.234 Z: 9 13.280 1.757 0.834 0.872 0.875 0.625 CB 1.214 9 residues pruned to eliminate duplicates Z: 15 27.474 1.858 0.965 0.921 1.000 0.643 CB 1.415 15 residues pruned to eliminate duplicates Z: 36 30.197 1.942 0.614 0.630 0.971 0.657 CB 1.484 36 residues pruned to eliminate duplicates Z: 18 20.972 1.826 0.570 0.868 0.882 0.765 CB 1.470 18 residues pruned to eliminate duplicates Z: 10 10.455 1.489 0.419 0.830 1.000 0.667 CB 1.240 Z: 11 10.221 1.488 0.807 0.889 1.000 1.000 CA 0.865 11 residues pruned to eliminate duplicates Z: 17 19.048 2.003 0.458 0.906 1.000 1.000 CB 1.159 17 residues pruned to eliminate duplicates Z: 9 4.802 1.515 0.596 0.467 0.750 0.500 CB 0.968 9 residues pruned to eliminate duplicates Z: 17 11.424 1.681 0.687 0.436 0.875 0.500 CB 1.230 Z: 8 4.993 1.691 0.349 0.405 0.857 0.571 CB 1.067 6 1.710 1.686 0.196 0.330 0.600 0.400 CB 0.762 ? Z: 49 23.492 1.918 0.494 0.500 0.917 0.583 CB 1.290 49 residues pruned to eliminate duplicates Z: 29 18.183 1.776 0.587 0.711 0.786 0.571 CB 1.281 29 residues pruned to eliminate duplicates Z: 6 3.265 1.564 0.097 0.594 0.800 0.400 CB 0.973 Z: 9 11.023 1.721 0.629 0.878 0.875 0.750 CB 1.152 9 residues pruned to eliminate duplicates Z: 6 3.162 1.333 0.455 0.521 1.000 0.600 N 0.714 Z: 19 12.045 1.890 0.462 0.394 0.889 0.444 CB 1.293 19 residues pruned to eliminate duplicates Z: 20 11.151 1.845 0.200 0.431 0.947 0.632 CB 1.310 20 residues pruned to eliminate duplicates Z: 18 15.778 1.996 0.542 0.398 0.882 0.588 CB 1.570 18 residues pruned to eliminate duplicates Z: 11 7.709 1.654 0.673 0.423 0.900 0.800 CB 1.060 9 residues pruned to eliminate duplicates Z: 37 16.047 1.879 0.295 0.533 0.917 0.722 CB 1.160 35 residues pruned to eliminate duplicates Z: 8 13.043 2.072 0.410 0.834 1.000 0.857 CA 1.265 8 residues pruned to eliminate duplicates Z: 8 12.626 1.893 0.928 0.637 0.857 0.429 CA 1.342 8 residues pruned to eliminate duplicates Z: 7 4.842 1.668 0.389 0.437 0.833 0.333 CB 1.092 Z: 44 22.593 1.885 0.537 0.475 0.907 0.651 CB 1.345 44 residues pruned to eliminate duplicates Z: 12 13.927 1.742 0.495 0.596 1.000 0.818 CA 1.471 12 residues pruned to eliminate duplicates Z: 14 8.073 1.737 0.469 0.460 0.923 0.769 CA 0.990 14 residues pruned to eliminate duplicates Z: 20 11.714 1.931 0.377 0.402 0.895 0.684 CB 1.252 20 residues pruned to eliminate duplicates Z: 30 19.867 1.878 0.667 0.538 0.862 0.586 CB 1.317 30 residues pruned to eliminate duplicates Z: 8 5.291 1.505 0.566 0.658 0.857 0.714 CB 0.855 Z: 9 5.873 1.627 0.436 0.650 0.875 0.500 CB 0.883 8 residues pruned to eliminate duplicates Z: 52 21.211 1.821 0.625 0.462 0.843 0.549 CB 1.238 52 residues pruned to eliminate duplicates Z: 15 8.452 1.857 0.380 0.359 0.929 0.643 CB 1.105 15 residues pruned to eliminate duplicates Z: 9 11.308 1.522 0.549 0.843 1.000 0.500 CB 1.264 8 residues pruned to eliminate duplicates Z: 8 3.142 1.640 -0.063 0.443 0.857 0.571 CB 0.955 Z: 19 26.210 1.975 0.752 0.845 1.000 0.889 CA 1.327 19 residues pruned to eliminate duplicates Z: 10 11.798 1.654 0.485 0.829 1.000 0.889 CA 1.205 10 residues pruned to eliminate duplicates Z: 11 9.056 1.716 0.497 0.559 0.800 0.700 CB 1.317 11 residues pruned to eliminate duplicates Z: 40 30.717 1.942 0.627 0.631 0.923 0.615 CB 1.491 63 residues pruned to eliminate duplicates Z: 10 19.319 1.910 0.537 0.843 1.000 1.000 CA 1.633 12 residues pruned to eliminate duplicates Z: 16 20.297 1.987 1.004 0.926 1.000 0.867 CB 0.922 16 residues pruned to eliminate duplicates Z: 11 17.121 1.801 0.629 0.798 1.000 0.700 CB 1.421 Z: 8 9.162 1.947 0.226 0.825 1.000 1.000 CB 1.095 Z: 9 16.407 1.827 0.574 0.927 1.000 1.000 CB 1.413 9 residues pruned to eliminate duplicates Z: 7 4.181 1.346 0.383 0.791 1.000 0.833 N 0.710 7 residues pruned to eliminate duplicates Z: 12 12.708 1.696 0.480 0.807 1.000 0.455 CA 1.168 12 residues pruned to eliminate duplicates Z: 29 23.381 2.001 0.694 0.583 0.893 0.536 CB 1.348 29 residues pruned to eliminate duplicates Z: 9 14.288 1.734 0.697 0.897 1.000 1.000 CB 1.229 10 residues pruned to eliminate duplicates Z: 15 19.564 1.969 0.420 0.874 0.929 0.857 CB 1.465 15 residues pruned to eliminate duplicates Z: 9 8.320 1.642 0.648 0.674 0.750 0.750 N 1.235 Z: 32 13.095 1.838 0.355 0.418 0.871 0.419 CB 1.180 42 residues pruned to eliminate duplicates Z: 61 24.991 2.003 0.547 0.390 0.867 0.600 CB 1.349 61 residues pruned to eliminate duplicates Z: 17 26.793 2.051 0.603 0.890 1.000 0.688 CB 1.466 17 residues pruned to eliminate duplicates Z: 11 11.304 1.420 0.713 0.826 1.000 0.600 CB 1.108 11 residues pruned to eliminate duplicates Z: 25 21.608 1.887 0.527 0.768 0.958 0.875 CA 1.260 25 residues pruned to eliminate duplicates Z: 13 17.496 1.869 0.701 0.703 0.917 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 13 10.964 1.769 0.575 0.578 1.000 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 7 5.009 1.530 0.083 0.663 1.000 0.667 N 1.062 7 residues pruned to eliminate duplicates Z: 15 16.322 1.665 0.668 0.895 1.000 0.786 CB 1.126 15 residues pruned to eliminate duplicates Z: 10 10.889 1.682 0.755 0.619 0.889 0.667 N 1.236 10 residues pruned to eliminate duplicates Z: 11 3.448 1.681 0.277 0.192 0.600 0.500 CB 1.224 Z: 9 14.901 1.747 0.753 0.897 1.000 0.500 CB 1.231 9 residues pruned to eliminate duplicates Z: 11 8.805 1.359 0.785 0.692 0.900 0.300 N 1.070 11 residues pruned to eliminate duplicates Z: 20 22.030 1.947 0.530 0.886 1.000 0.947 CA 1.224 20 residues pruned to eliminate duplicates Z: 14 23.828 1.859 0.931 0.890 1.000 0.846 CA 1.324 14 residues pruned to eliminate duplicates Z: 14 6.439 1.558 0.195 0.357 1.000 0.692 CB 1.119 Z: 9 12.650 1.981 0.376 0.808 0.875 0.875 CA 1.434 9 residues pruned to eliminate duplicates Z: 17 17.567 1.992 0.712 0.869 0.938 0.750 CB 1.003 17 residues pruned to eliminate duplicates Z: 11 21.148 2.034 0.683 0.893 1.000 0.700 CB 1.403 11 residues pruned to eliminate duplicates Z: 19 9.930 1.583 0.661 0.459 0.833 0.444 CB 1.114 20 residues pruned to eliminate duplicates Z: 19 14.564 1.773 0.218 0.853 0.944 0.778 CB 1.244 19 residues pruned to eliminate duplicates Z: 8 4.447 1.487 0.427 0.456 0.714 0.571 CA 1.161 Z: 13 15.344 1.986 0.418 0.895 0.917 0.750 CB 1.230 13 residues pruned to eliminate duplicates Z: 8 10.851 1.684 0.349 0.836 1.000 0.714 CB 1.352 8 residues pruned to eliminate duplicates Z: 13 10.990 2.113 0.418 0.513 0.833 0.750 CB 1.254 13 residues pruned to eliminate duplicates Z: 17 27.779 1.947 1.009 0.901 0.938 0.438 CB 1.352 17 residues pruned to eliminate duplicates Z: 16 14.511 1.987 0.327 0.927 1.000 1.000 CB 0.996 16 residues pruned to eliminate duplicates Z: 15 17.687 1.805 0.426 0.889 1.000 0.929 CA 1.323 15 residues pruned to eliminate duplicates Z: 7 2.896 1.571 0.284 0.839 0.833 0.667 CB 0.525 7 residues pruned to eliminate duplicates Z: 6 5.353 1.794 0.209 0.779 1.000 0.800 CB 0.863 Z: 10 4.492 1.631 0.229 0.562 0.889 0.667 CB 0.792 Z: 6 3.080 1.400 0.736 0.569 0.600 0.400 CB 0.884 Z: 13 4.227 1.480 0.410 0.185 0.750 0.333 CB 1.137 13 residues pruned to eliminate duplicates Z: 7 7.760 1.900 -0.047 0.875 1.000 1.000 CB 1.272 7 residues pruned to eliminate duplicates Z: 15 18.975 1.925 0.328 0.916 1.000 1.000 CB 1.402 15 residues pruned to eliminate duplicates Z: 6 5.586 1.380 0.492 0.777 1.000 0.800 CA 0.950 Z: 7 3.886 1.828 -0.239 0.729 0.833 0.667 CB 1.113 11 residues pruned to eliminate duplicates Z: 8 8.579 1.942 0.083 0.859 1.000 1.000 CB 1.135 8 residues pruned to eliminate duplicates Z: 7 8.660 1.605 0.747 0.739 1.000 0.667 N 1.018 7 residues pruned to eliminate duplicates Z: 14 25.162 1.873 0.995 0.925 1.000 0.846 CA 1.311 15 residues pruned to eliminate duplicates Z: 15 19.501 1.880 0.536 0.879 0.929 0.857 CA 1.410 15 residues pruned to eliminate duplicates Z: 12 7.144 1.686 0.015 0.678 0.909 0.818 CB 1.176 Z: 6 3.946 1.513 0.223 0.858 1.000 0.800 CB 0.702 Z: 18 16.863 1.951 0.237 0.888 1.000 0.824 CA 1.221 18 residues pruned to eliminate duplicates Z: 11 8.921 1.578 0.131 0.906 1.000 0.900 CB 1.124 11 residues pruned to eliminate duplicates Z: 12 6.873 1.781 0.425 0.577 0.909 0.545 CB 0.834 Z: 17 11.927 1.817 0.524 0.472 0.812 0.688 CB 1.364 17 residues pruned to eliminate duplicates Z: 15 4.764 1.612 0.229 0.192 0.857 0.429 CB 1.083 15 residues pruned to eliminate duplicates Z: 15 24.535 1.880 1.041 0.889 0.857 0.714 CA 1.436 15 residues pruned to eliminate duplicates Z: 16 11.426 1.914 0.589 0.320 0.867 0.467 CB 1.365 16 residues pruned to eliminate duplicates Z: 10 4.990 1.593 0.160 0.564 0.889 0.667 CB 0.952 Z: 7 7.521 1.643 0.450 0.800 1.000 0.667 CB 0.991 5 residues pruned to eliminate duplicates Z: 17 14.959 1.986 0.418 0.872 0.938 0.938 CB 1.032 17 residues pruned to eliminate duplicates Z: 6 4.421 1.437 0.707 0.615 1.000 0.800 CA 0.723 Z: 36 19.933 1.867 0.487 0.573 0.886 0.600 CB 1.278 36 residues pruned to eliminate duplicates Z: 16 14.111 1.792 0.167 0.894 1.000 0.800 CA 1.250 16 residues pruned to eliminate duplicates Z: 6 6.756 1.775 0.361 0.386 1.000 0.400 CB 1.410 7 residues pruned to eliminate duplicates Z: 19 18.588 1.847 0.387 0.892 0.944 0.778 CA 1.301 19 residues pruned to eliminate duplicates Z: 10 8.133 1.815 0.051 0.706 1.000 0.667 CB 1.178 Z: 27 13.014 1.811 0.388 0.356 0.923 0.577 CB 1.285 27 residues pruned to eliminate duplicates Z: 10 5.903 1.596 0.446 0.543 0.778 0.778 CB 1.051 10 residues pruned to eliminate duplicates Z: 15 27.951 1.852 1.064 0.940 1.000 0.571 N 1.357 15 residues pruned to eliminate duplicates Z: 6 8.169 1.960 0.714 0.572 0.800 0.800 CB 1.269 Z: 10 13.305 1.605 0.556 0.887 1.000 0.889 CB 1.281 10 residues pruned to eliminate duplicates Z: 15 23.900 1.883 0.745 0.906 1.000 0.857 CA 1.382 15 residues pruned to eliminate duplicates Z: 15 7.316 1.649 0.782 0.512 0.857 0.571 CB 0.767 15 residues pruned to eliminate duplicates Z: 17 15.876 1.782 0.613 0.660 0.938 0.688 CB 1.269 17 residues pruned to eliminate duplicates Z: 8 4.824 1.511 0.419 0.571 0.857 0.571 CB 0.926 8 residues pruned to eliminate duplicates Z: 9 12.959 1.743 0.804 0.710 1.000 0.625 CB 1.205 4 residues pruned to eliminate duplicates Z: 54 30.087 1.884 0.675 0.636 0.906 0.679 CB 1.273 54 residues pruned to eliminate duplicates Z: 12 12.957 1.845 0.407 0.741 0.909 0.727 CA 1.333 12 residues pruned to eliminate duplicates Z: 7 6.285 1.502 0.524 0.828 1.000 0.833 CA 0.844 7 residues pruned to eliminate duplicates Z: 16 24.361 1.894 0.662 0.901 1.000 0.733 CA 1.427 16 residues pruned to eliminate duplicates Z: 8 3.263 1.492 0.443 0.326 0.857 0.571 N 0.809 8 residues pruned to eliminate duplicates Z: 29 13.236 1.803 0.332 0.462 0.893 0.643 CB 1.212 29 residues pruned to eliminate duplicates Z: 21 10.192 1.745 0.557 0.405 0.900 0.450 CB 1.030 21 residues pruned to eliminate duplicates Z: 11 7.710 1.677 0.730 0.544 0.700 0.500 CB 1.150 11 residues pruned to eliminate duplicates Z: 13 5.498 1.594 0.091 0.480 1.000 0.583 CB 0.932 Z: 17 11.720 1.751 0.680 0.654 0.875 0.688 CB 0.986 10 residues pruned to eliminate duplicates Z: 10 8.333 1.733 0.240 0.477 1.000 0.667 CB 1.323 10 residues pruned to eliminate duplicates Z: 12 6.077 1.738 -0.007 0.581 0.909 0.636 CB 1.080 11 residues pruned to eliminate duplicates Z: 8 5.502 1.475 0.322 0.543 0.857 0.714 CA 1.193 Z: 14 29.614 1.910 1.080 0.925 1.000 0.846 CA 1.451 14 residues pruned to eliminate duplicates Z: 14 10.107 1.946 0.480 0.355 0.846 0.615 CA 1.346 14 residues pruned to eliminate duplicates Z: 11 18.996 1.924 0.669 0.696 1.000 0.800 N 1.564 11 residues pruned to eliminate duplicates Z: 10 12.158 1.890 0.691 0.822 0.889 0.667 CB 1.078 10 residues pruned to eliminate duplicates Z: 19 23.837 1.830 0.768 0.826 1.000 0.278 CB 1.309 19 residues pruned to eliminate duplicates Z: 9 10.361 1.638 0.787 0.845 1.000 0.875 CB 0.930 9 residues pruned to eliminate duplicates Z: 12 6.509 1.750 0.156 0.608 1.000 0.818 CB 0.875 22 residues pruned to eliminate duplicates Z: 8 5.018 1.707 0.323 0.531 0.857 0.857 CB 0.951 8 residues pruned to eliminate duplicates Z: 6 5.766 1.931 -0.035 0.851 1.000 1.000 CB 1.024 6 residues pruned to eliminate duplicates Z: 25 22.703 1.927 0.564 0.668 0.917 0.750 CA 1.436 25 residues pruned to eliminate duplicates Z: 8 6.378 1.618 0.696 0.539 0.857 0.571 CB 0.986 2 residues pruned to eliminate duplicates Z: 9 7.534 1.961 0.362 0.679 1.000 0.875 CB 0.846 7 residues pruned to eliminate duplicates Z: 12 10.661 1.581 0.606 0.780 1.000 0.818 CB 0.989 Z: 9 13.998 1.623 0.607 0.854 1.000 0.875 CB 1.402 9 residues pruned to eliminate duplicates Z: 13 17.938 1.738 0.884 0.873 1.000 0.583 CB 1.152 15 residues pruned to eliminate duplicates Z: 9 11.242 1.699 0.572 0.887 1.000 1.000 CA 1.073 9 residues pruned to eliminate duplicates Z: 11 10.182 1.633 0.691 0.476 1.000 0.500 CB 1.194 Z: 13 7.416 1.603 0.432 0.365 0.917 0.583 CB 1.176 13 residues pruned to eliminate duplicates Z: 8 7.882 1.762 0.277 0.520 1.000 0.571 CB 1.298 8 residues pruned to eliminate duplicates Z: 7 8.869 1.763 0.214 0.820 1.000 0.833 CA 1.281 7 residues pruned to eliminate duplicates Z: 6 7.154 1.729 0.071 0.837 1.000 0.600 CA 1.293 Z: 32 25.628 1.927 0.700 0.717 1.000 0.710 CB 1.155 32 residues pruned to eliminate duplicates Z: 6 2.849 1.557 0.063 0.768 0.800 0.800 CB 0.758 Z: 7 7.886 1.693 0.391 0.894 1.000 0.833 CB 0.981 7 residues pruned to eliminate duplicates Z: 14 12.445 1.758 0.464 0.626 0.846 0.615 CA 1.408 14 residues pruned to eliminate duplicates Z: 9 14.231 1.741 0.904 0.826 1.000 1.000 CA 1.145 9 residues pruned to eliminate duplicates Z: 26 19.698 1.822 0.664 0.671 0.800 0.600 CB 1.387 45 residues pruned to eliminate duplicates Z: 7 8.434 1.597 0.504 0.845 1.000 0.667 CB 1.066 7 residues pruned to eliminate duplicates Z: 9 10.367 1.490 0.706 0.827 1.000 0.875 CA 1.087 8 residues pruned to eliminate duplicates Z: 16 8.457 1.596 0.663 0.526 0.800 0.533 N 1.002 16 residues pruned to eliminate duplicates Z: 45 23.553 2.065 0.686 0.385 0.909 0.636 CB 1.268 45 residues pruned to eliminate duplicates Z: 12 4.013 1.661 0.253 0.386 0.727 0.455 CB 0.902 12 residues pruned to eliminate duplicates Z: 9 5.580 1.393 0.744 0.385 0.875 0.625 CB 1.048 6 residues pruned to eliminate duplicates Z: 9 3.080 1.536 0.397 0.227 0.875 0.625 CB 0.798 9 residues pruned to eliminate duplicates Z: 7 6.255 1.673 0.897 0.399 0.833 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 9 10.562 1.598 0.690 0.873 1.000 0.750 CB 1.007 Z: 20 4.615 1.507 0.714 0.203 0.632 0.368 CB 0.923 26 residues pruned to eliminate duplicates Z: 7 6.453 1.885 0.170 0.546 1.000 0.667 CA 1.142 7 residues pruned to eliminate duplicates 6 1.044 1.542 0.325 0.108 0.600 0.400 CB 0.626 ? Z: 19 18.402 1.768 0.357 0.879 1.000 0.833 CB 1.311 19 residues pruned to eliminate duplicates Z: 12 11.213 1.947 0.568 0.527 0.909 0.636 CB 1.185 12 residues pruned to eliminate duplicates Z: 7 3.521 1.643 0.301 0.650 0.667 0.333 CB 0.877 Z: 10 11.199 1.611 0.677 0.852 1.000 0.778 CB 1.022 10 residues pruned to eliminate duplicates Z: 17 25.118 1.912 0.749 0.883 0.938 0.688 CA 1.448 17 residues pruned to eliminate duplicates Z: 9 7.853 1.700 0.734 0.596 0.750 0.750 N 1.146 Z: 11 10.677 1.749 0.362 0.584 0.900 0.700 O 1.453 11 residues pruned to eliminate duplicates Z: 9 6.975 1.529 0.653 0.872 0.875 0.625 CB 0.813 9 residues pruned to eliminate duplicates Z: 18 28.699 1.980 0.769 0.901 1.000 0.706 CA 1.418 18 residues pruned to eliminate duplicates Z: 11 6.989 1.658 0.583 0.585 0.700 0.200 CB 1.109 11 residues pruned to eliminate duplicates Z: 17 8.729 1.638 0.431 0.410 0.938 0.688 CB 1.091 17 residues pruned to eliminate duplicates Z: 13 17.622 1.764 0.702 0.898 1.000 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 13 15.709 1.921 0.440 0.554 1.000 0.500 CB 1.555 13 residues pruned to eliminate duplicates Z: 12 12.939 1.473 0.958 0.837 1.000 0.545 CB 1.012 10 residues pruned to eliminate duplicates Z: 24 13.920 1.763 0.335 0.582 0.913 0.783 CB 1.248 24 residues pruned to eliminate duplicates Z: 10 5.814 1.591 0.692 0.224 0.778 0.556 C 1.279 Z: 21 16.144 1.692 0.349 0.838 1.000 0.800 CA 1.182 21 residues pruned to eliminate duplicates Z: 10 9.130 1.904 0.422 0.482 0.778 0.667 CA 1.471 10 residues pruned to eliminate duplicates Z: 14 15.891 1.959 0.375 0.899 1.000 0.769 CA 1.169 14 residues pruned to eliminate duplicates 6 1.081 1.499 0.195 0.453 0.600 0.400 CB 0.472 ? 6 1.251 1.406 0.132 0.274 0.600 0.400 CB 0.758 ? Z: 8 13.289 1.818 0.582 0.736 1.000 0.571 N 1.413 8 residues pruned to eliminate duplicates Z: 8 6.631 1.754 0.234 0.627 1.000 1.000 CB 1.027 8 residues pruned to eliminate duplicates Z: 17 19.450 1.800 0.468 0.925 1.000 0.875 CA 1.291 17 residues pruned to eliminate duplicates Z: 39 19.265 1.807 0.596 0.631 0.947 0.632 CB 1.012 51 residues pruned to eliminate duplicates Z: 17 17.206 1.731 0.452 0.882 0.938 0.875 CB 1.321 17 residues pruned to eliminate duplicates Z: 19 10.011 1.868 0.368 0.456 0.944 0.611 CB 1.023 19 residues pruned to eliminate duplicates Z: 6 2.408 1.472 0.132 0.211 0.800 0.400 CB 1.136 Z: 8 7.622 1.909 0.083 0.916 1.000 1.000 CB 0.984 8 residues pruned to eliminate duplicates Z: 6 2.964 1.451 0.281 0.585 0.800 0.600 N 0.821 6 residues pruned to eliminate duplicates Z: 19 9.603 1.815 0.483 0.360 0.778 0.333 CB 1.258 19 residues pruned to eliminate duplicates Z: 15 16.442 1.850 0.492 0.894 0.929 0.929 CA 1.229 15 residues pruned to eliminate duplicates Z: 6 2.957 1.606 0.043 0.450 0.800 0.600 CB 1.038 Z: 43 19.840 2.059 0.450 0.318 0.929 0.500 CB 1.351 43 residues pruned to eliminate duplicates Z: 7 4.773 1.731 0.398 0.492 1.000 0.500 CB 0.812 7 residues pruned to eliminate duplicates Z: 8 4.526 1.638 -0.037 0.478 1.000 0.571 N 1.109 Z: 10 13.769 1.590 0.954 0.884 1.000 0.778 CA 1.067 10 residues pruned to eliminate duplicates Z: 8 10.501 2.012 0.431 0.730 0.857 0.286 CB 1.308 8 residues pruned to eliminate duplicates Z: 15 8.359 1.648 0.567 0.380 0.857 0.571 CB 1.147 15 residues pruned to eliminate duplicates Z: 13 7.438 1.671 0.339 0.550 0.917 0.667 CB 0.996 12 residues pruned to eliminate duplicates Z: 16 4.906 1.379 0.855 0.323 0.667 0.333 N 0.902 16 residues pruned to eliminate duplicates Z: 7 4.225 1.474 0.343 0.530 0.833 0.667 N 1.015 5 residues pruned to eliminate duplicates Z: 27 21.813 1.936 0.554 0.564 1.000 0.731 CB 1.336 27 residues pruned to eliminate duplicates Z: 15 6.763 1.831 0.278 0.325 0.786 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 16 15.833 1.661 1.020 0.540 0.867 0.667 CB 1.352 8 residues pruned to eliminate duplicates Z: 29 7.657 1.580 0.399 0.428 0.821 0.571 CB 0.859 29 residues pruned to eliminate duplicates Z: 8 6.031 1.654 0.622 0.594 0.857 0.571 N 0.905 Z: 19 13.522 1.884 0.388 0.661 0.944 0.611 CB 1.111 19 residues pruned to eliminate duplicates Z: 17 18.502 1.843 0.637 0.884 0.875 0.812 CA 1.266 17 residues pruned to eliminate duplicates Z: 18 6.020 1.559 0.205 0.304 0.941 0.471 CB 1.028 8 residues pruned to eliminate duplicates Z: 9 9.188 1.728 0.212 0.752 1.000 0.625 CB 1.238 Z: 10 10.086 1.639 0.860 0.605 0.889 0.667 N 1.123 10 residues pruned to eliminate duplicates Z: 6 5.593 1.485 0.500 0.439 1.000 0.400 CA 1.196 6 residues pruned to eliminate duplicates Z: 19 20.546 1.851 0.747 0.834 0.889 0.722 CA 1.263 19 residues pruned to eliminate duplicates Z: 7 2.962 1.649 1.027 0.405 0.667 0.667 CB 0.600 Z: 34 23.900 1.966 0.582 0.682 0.970 0.727 CB 1.167 34 residues pruned to eliminate duplicates Z: 9 4.366 1.676 0.403 0.335 0.750 0.500 CB 1.048 9 residues pruned to eliminate duplicates Z: 13 16.467 1.915 0.453 0.923 1.000 1.000 CA 1.201 13 residues pruned to eliminate duplicates Z: 6 4.623 1.403 0.240 0.623 1.000 0.400 N 1.058 Z: 7 7.592 1.445 0.702 0.525 1.000 0.667 CA 1.230 Z: 8 5.320 1.855 0.586 0.293 0.714 0.429 N 1.207 8 residues pruned to eliminate duplicates Z: 33 25.369 1.971 0.575 0.722 0.969 0.781 CB 1.220 33 residues pruned to eliminate duplicates Z: 8 8.068 1.754 0.296 0.882 0.857 0.714 CA 1.133 8 residues pruned to eliminate duplicates Z: 35 14.784 1.740 0.557 0.402 0.824 0.471 CB 1.259 35 residues pruned to eliminate duplicates Z: 7 8.363 1.521 0.741 0.863 0.833 0.833 CB 1.136 7 residues pruned to eliminate duplicates Z: 30 15.959 1.875 0.345 0.561 0.966 0.759 CB 1.147 30 residues pruned to eliminate duplicates Z: 8 4.320 1.573 0.470 0.340 0.714 0.286 CB 1.177 Z: 21 11.844 1.837 0.358 0.543 0.950 0.750 CB 1.071 21 residues pruned to eliminate duplicates Z: 9 5.695 1.933 -0.118 0.785 1.000 0.750 CB 0.919 8 residues pruned to eliminate duplicates Z: 11 6.694 1.547 0.503 0.641 0.800 0.600 CB 0.997 10 residues pruned to eliminate duplicates Z: 6 2.594 1.122 0.435 0.429 1.000 0.400 N 0.776 Z: 31 9.419 1.694 0.295 0.469 0.867 0.533 CB 0.933 31 residues pruned to eliminate duplicates Z: 6 2.782 1.573 0.147 0.628 0.800 0.600 CB 0.764 6 residues pruned to eliminate duplicates Z: 13 9.777 1.722 0.516 0.513 0.833 0.750 CB 1.281 13 residues pruned to eliminate duplicates Z: 16 8.988 1.765 0.330 0.407 0.867 0.600 CB 1.258 16 residues pruned to eliminate duplicates Z: 8 18.289 1.813 1.021 0.903 1.000 1.000 CA 1.344 8 residues pruned to eliminate duplicates Z: 7 3.329 1.401 0.217 0.756 1.000 0.833 CB 0.634 7 residues pruned to eliminate duplicates Z: 12 4.857 1.539 0.166 0.446 0.909 0.545 CB 0.949 Z: 15 22.284 1.891 0.623 0.920 1.000 0.929 CA 1.366 15 residues pruned to eliminate duplicates Z: 18 5.950 1.686 0.474 0.184 0.706 0.412 CB 1.203 18 residues pruned to eliminate duplicates Z: 14 12.420 1.553 0.950 0.522 0.923 0.615 CB 1.205 22 residues pruned to eliminate duplicates Z: 8 7.392 1.492 0.710 0.868 0.857 0.857 CB 0.934 Z: 10 12.125 1.648 0.688 0.687 0.889 0.889 CB 1.378 7 residues pruned to eliminate duplicates Z: 14 10.232 1.814 0.346 0.842 0.923 0.462 CB 0.938 14 residues pruned to eliminate duplicates Z: 18 11.420 1.805 0.459 0.492 0.941 0.706 CB 1.127 18 residues pruned to eliminate duplicates Z: 7 2.468 1.602 0.500 0.087 0.667 0.167 CB 1.071 Z: 10 11.787 1.692 0.384 0.882 1.000 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 17 10.411 1.507 0.846 0.485 0.938 0.562 CB 1.013 11 residues pruned to eliminate duplicates Z: 11 4.343 1.623 0.288 0.320 1.000 0.500 CB 0.800 12 residues pruned to eliminate duplicates Z: 6 4.019 1.497 0.602 0.766 1.000 0.800 CB 0.592 6 residues pruned to eliminate duplicates Z: 13 6.528 1.610 0.098 0.443 0.917 0.667 CB 1.233 25 residues pruned to eliminate duplicates Z: 15 25.175 1.889 0.769 0.909 1.000 0.929 CB 1.428 15 residues pruned to eliminate duplicates Z: 15 29.100 1.840 1.208 0.916 1.000 0.571 CB 1.352 15 residues pruned to eliminate duplicates Z: 16 5.128 1.722 0.366 0.350 0.867 0.267 CB 0.764 16 residues pruned to eliminate duplicates Z: 10 3.041 1.439 0.264 0.216 0.778 0.333 CB 1.001 Z: 18 21.310 1.848 0.788 0.852 0.941 0.294 CB 1.229 18 residues pruned to eliminate duplicates 6 1.338 1.805 -0.276 0.653 1.000 0.600 CB 0.397 ? 6 1.679 1.341 0.118 0.298 0.800 0.400 CB 0.785 ? Z: 7 4.216 1.615 0.455 0.353 1.000 0.667 CB 0.859 Z: 7 7.240 1.624 0.487 0.796 1.000 0.833 CB 0.944 Z: 33 22.593 1.897 0.496 0.704 1.000 0.875 CB 1.168 33 residues pruned to eliminate duplicates Z: 13 7.510 2.015 0.485 0.112 0.917 0.500 CB 1.291 13 residues pruned to eliminate duplicates Z: 8 6.524 1.691 0.356 0.422 0.857 0.714 CA 1.362 8 residues pruned to eliminate duplicates Z: 8 6.782 1.494 0.797 0.516 0.857 0.714 CB 1.097 8 residues pruned to eliminate duplicates Z: 8 2.049 1.358 0.034 0.287 0.714 0.429 CB 0.982 Z: 32 21.544 1.954 0.457 0.718 1.000 0.839 CB 1.116 32 residues pruned to eliminate duplicates Z: 41 24.843 1.891 0.572 0.631 0.900 0.725 CB 1.297 41 residues pruned to eliminate duplicates Z: 6 3.028 1.836 0.462 0.241 0.800 0.400 CB 0.850 Z: 16 9.570 1.824 0.710 0.359 0.800 0.733 CA 1.153 16 residues pruned to eliminate duplicates Z: 10 7.308 1.760 0.579 0.684 0.556 0.444 CB 1.332 10 residues pruned to eliminate duplicates Z: 11 6.464 1.842 -0.112 0.719 1.000 0.500 CB 1.025 11 residues pruned to eliminate duplicates Z: 8 4.217 1.520 0.140 0.476 0.857 0.286 CB 1.099 8 residues pruned to eliminate duplicates Z: 15 13.753 1.757 0.214 0.923 1.000 0.929 CB 1.211 14 residues pruned to eliminate duplicates Z: 6 2.072 1.196 0.360 0.388 0.800 0.400 CB 0.802 Z: 15 11.353 1.656 0.528 0.552 1.000 0.786 CB 1.139 15 residues pruned to eliminate duplicates Z: 27 21.154 1.777 0.685 0.480 1.000 0.538 N 1.413 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.631 1.546 0.299 0.562 0.833 0.667 N 1.294 7 1.990 1.342 0.758 0.356 0.833 0.500 CB 0.483 ? Z: 6 5.776 1.544 0.600 0.368 1.000 0.400 N 1.205 9 residues pruned to eliminate duplicates Z: 13 21.141 2.030 0.688 0.886 1.000 0.667 CB 1.285 13 residues pruned to eliminate duplicates Z: 15 18.850 1.969 0.734 0.820 0.929 0.571 CB 1.204 15 residues pruned to eliminate duplicates Z: 13 21.832 2.025 0.839 0.943 0.917 0.750 CB 1.279 13 residues pruned to eliminate duplicates Z: 17 15.271 1.852 0.712 0.711 0.875 0.562 CB 1.137 17 residues pruned to eliminate duplicates Z: 13 19.382 1.994 0.781 0.865 0.917 0.583 CA 1.259 13 residues pruned to eliminate duplicates Z: 22 18.362 1.803 0.983 0.527 0.905 0.571 CB 1.206 14 residues pruned to eliminate duplicates Z: 13 22.440 1.972 0.908 0.887 0.917 0.667 CA 1.354 13 residues pruned to eliminate duplicates Z: 14 24.631 1.963 0.947 0.936 1.000 1.000 CA 1.245 14 residues pruned to eliminate duplicates Z: 14 23.605 1.963 0.888 0.918 1.000 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 14 20.699 1.998 0.884 0.856 0.923 0.692 CB 1.218 14 residues pruned to eliminate duplicates Z: 13 24.634 2.042 0.917 0.942 1.000 0.833 CB 1.260 14 residues pruned to eliminate duplicates Z: 15 24.996 1.948 0.953 0.933 0.929 0.786 CA 1.319 13 residues pruned to eliminate duplicates Z: 16 20.057 1.858 0.780 0.895 0.933 0.733 CA 1.203 16 residues pruned to eliminate duplicates Z: 6 2.969 1.775 0.485 0.290 0.600 0.400 N 1.063 Z: 15 29.545 1.909 0.924 0.934 1.000 0.857 CA 1.499 15 residues pruned to eliminate duplicates Z: 15 28.184 1.920 0.954 0.919 1.000 0.929 CA 1.415 15 residues pruned to eliminate duplicates Z: 15 25.492 1.909 0.879 0.918 0.929 0.857 CA 1.443 15 residues pruned to eliminate duplicates Z: 16 24.491 1.829 0.803 0.870 1.000 0.800 CA 1.399 16 residues pruned to eliminate duplicates Z: 15 26.346 1.888 0.867 0.926 1.000 0.857 CA 1.401 15 residues pruned to eliminate duplicates Z: 14 14.170 1.715 0.821 0.639 0.923 0.692 N 1.197 14 residues pruned to eliminate duplicates Z: 16 19.865 1.839 0.784 0.824 0.933 0.800 CA 1.266 16 residues pruned to eliminate duplicates Z: 16 23.773 1.811 0.925 0.867 0.933 0.667 CA 1.380 16 residues pruned to eliminate duplicates Z: 16 23.481 1.861 0.910 0.865 0.933 0.800 CA 1.339 16 residues pruned to eliminate duplicates Z: 15 26.833 1.897 0.861 0.911 1.000 0.786 CA 1.440 15 residues pruned to eliminate duplicates Z: 16 26.099 1.801 0.934 0.872 1.000 0.800 CA 1.410 16 residues pruned to eliminate duplicates Z: 15 25.738 1.892 0.819 0.906 1.000 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 15 26.529 1.855 1.081 0.876 0.929 0.571 N 1.438 15 residues pruned to eliminate duplicates Z: 6 3.197 1.634 0.032 0.528 1.000 1.000 CB 0.825 4 residues pruned to eliminate duplicates Z: 9 7.881 1.698 0.380 0.540 1.000 0.750 CB 1.143 9 residues pruned to eliminate duplicates Z: 6 2.581 1.371 0.702 0.332 1.000 0.600 N 0.594 Z: 6 4.304 1.419 0.423 0.391 1.000 1.000 N 1.070 6 residues pruned to eliminate duplicates Z: 6 7.337 1.851 0.326 0.415 1.000 0.600 CB 1.462 6 residues pruned to eliminate duplicates Z: 7 9.166 1.903 0.339 0.461 1.000 0.667 CB 1.527 7 residues pruned to eliminate duplicates Z: 10 6.856 1.644 0.559 0.433 0.778 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 7 11.254 1.885 0.582 0.525 1.000 0.833 CB 1.503 10 residues pruned to eliminate duplicates Z: 15 14.384 1.754 0.442 0.786 0.929 0.643 CB 1.273 15 residues pruned to eliminate duplicates Z: 14 21.624 1.938 0.593 0.788 1.000 0.692 CA 1.508 14 residues pruned to eliminate duplicates Z: 16 24.372 1.803 0.801 0.929 1.000 0.533 CA 1.356 16 residues pruned to eliminate duplicates Z: 31 25.882 1.902 0.587 0.707 0.933 0.667 CB 1.391 31 residues pruned to eliminate duplicates Z: 33 30.330 1.900 0.759 0.687 1.000 0.719 CB 1.352 33 residues pruned to eliminate duplicates Z: 15 21.845 1.885 0.609 0.744 1.000 0.643 N 1.548 15 residues pruned to eliminate duplicates Z: 16 18.189 1.823 0.690 0.683 0.867 0.667 CA 1.486 16 residues pruned to eliminate duplicates Z: 31 26.330 1.915 0.703 0.659 0.967 0.633 CB 1.316 31 residues pruned to eliminate duplicates Z: 31 25.881 1.932 0.547 0.680 0.967 0.633 CB 1.386 31 residues pruned to eliminate duplicates Z: 9 18.316 2.039 0.795 0.746 1.000 0.750 CA 1.421 9 residues pruned to eliminate duplicates Z: 10 15.736 1.945 0.821 0.678 0.889 0.667 CA 1.415 10 residues pruned to eliminate duplicates Z: 28 26.250 1.941 0.769 0.625 0.926 0.704 CB 1.412 28 residues pruned to eliminate duplicates Z: 33 26.571 1.874 0.700 0.677 0.938 0.656 CB 1.336 33 residues pruned to eliminate duplicates Z: 36 31.043 1.920 0.730 0.703 0.943 0.571 CB 1.392 36 residues pruned to eliminate duplicates Z: 27 25.319 1.963 0.749 0.735 0.885 0.615 CB 1.323 27 residues pruned to eliminate duplicates Z: 28 23.255 1.962 0.510 0.653 0.926 0.704 CB 1.415 28 residues pruned to eliminate duplicates Z: 28 23.134 1.932 0.667 0.642 0.852 0.667 CB 1.422 28 residues pruned to eliminate duplicates Z: 36 29.373 1.932 0.703 0.704 0.886 0.714 CB 1.415 36 residues pruned to eliminate duplicates Z: 41 21.618 1.933 0.512 0.474 0.850 0.550 CB 1.412 41 residues pruned to eliminate duplicates Z: 25 24.233 1.942 0.757 0.688 0.875 0.750 CB 1.394 25 residues pruned to eliminate duplicates Z: 27 25.795 1.976 0.722 0.676 0.885 0.654 CB 1.429 27 residues pruned to eliminate duplicates Z: 18 19.823 1.970 0.722 0.621 0.941 0.588 CB 1.343 24 residues pruned to eliminate duplicates Z: 28 25.077 1.903 0.770 0.637 0.926 0.630 CB 1.361 28 residues pruned to eliminate duplicates Z: 16 17.751 1.903 0.896 0.537 0.933 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 33 27.367 1.901 0.849 0.672 0.844 0.688 CB 1.392 33 residues pruned to eliminate duplicates Z: 15 18.324 1.998 0.761 0.623 0.929 0.857 CB 1.335 15 residues pruned to eliminate duplicates Z: 14 22.541 2.047 0.753 0.705 1.000 0.769 CB 1.446 14 residues pruned to eliminate duplicates Z: 41 25.905 1.950 0.632 0.631 0.875 0.600 CB 1.301 41 residues pruned to eliminate duplicates Z: 24 10.094 1.712 0.537 0.441 0.870 0.435 CB 0.978 24 residues pruned to eliminate duplicates Z: 53 30.599 1.950 0.576 0.585 0.904 0.635 CB 1.408 53 residues pruned to eliminate duplicates Z: 51 24.091 1.917 0.563 0.517 0.920 0.620 CB 1.215 51 residues pruned to eliminate duplicates Z: 61 31.379 1.918 0.610 0.580 0.917 0.617 CB 1.325 61 residues pruned to eliminate duplicates Z: 29 12.741 1.796 0.420 0.487 0.857 0.571 CB 1.116 40 residues pruned to eliminate duplicates Z: 35 18.756 1.909 0.595 0.516 0.853 0.588 CB 1.219 35 residues pruned to eliminate duplicates Z: 29 18.299 1.907 0.597 0.504 0.857 0.607 CB 1.320 29 residues pruned to eliminate duplicates Z: 36 18.807 1.914 0.499 0.503 0.886 0.600 CB 1.247 36 residues pruned to eliminate duplicates Z: 20 14.049 1.890 0.585 0.553 0.895 0.632 CB 1.142 20 residues pruned to eliminate duplicates Z: 46 26.421 1.956 0.740 0.501 0.867 0.578 CB 1.334 46 residues pruned to eliminate duplicates Z: 56 32.531 1.943 0.715 0.578 0.945 0.673 CB 1.292 56 residues pruned to eliminate duplicates Z: 49 26.514 1.875 0.584 0.558 0.938 0.583 CB 1.299 49 residues pruned to eliminate duplicates Z: 12 6.493 1.835 0.521 0.354 0.818 0.455 CB 1.003 12 residues pruned to eliminate duplicates Z: 69 24.689 1.879 0.529 0.499 0.838 0.559 CB 1.244 69 residues pruned to eliminate duplicates Z: 43 23.999 1.924 0.550 0.593 0.905 0.476 CB 1.256 43 residues pruned to eliminate duplicates Z: 44 19.404 1.844 0.495 0.445 0.907 0.535 CB 1.252 44 residues pruned to eliminate duplicates Z: 6 2.602 1.363 0.331 0.361 1.000 0.800 CA 0.744 6 residues pruned to eliminate duplicates Z: 55 32.543 1.911 0.690 0.622 0.907 0.611 CB 1.347 55 residues pruned to eliminate duplicates Z: 46 20.299 1.794 0.666 0.518 0.844 0.533 CB 1.178 46 residues pruned to eliminate duplicates Z: 32 15.191 1.727 0.575 0.453 0.871 0.516 CB 1.209 32 residues pruned to eliminate duplicates Z: 14 14.394 1.855 0.616 0.684 0.923 0.769 CA 1.219 14 residues pruned to eliminate duplicates Z: 24 18.280 1.937 0.674 0.615 0.870 0.609 CB 1.212 24 residues pruned to eliminate duplicates Z: 58 34.589 1.925 0.655 0.668 0.947 0.719 CB 1.299 58 residues pruned to eliminate duplicates Z: 16 22.464 1.954 0.883 0.704 1.000 0.733 CB 1.309 16 residues pruned to eliminate duplicates Z: 14 21.057 2.011 0.697 0.624 1.000 0.462 CB 1.522 14 residues pruned to eliminate duplicates Z: 12 22.702 1.998 0.822 0.702 1.000 0.727 CB 1.565 12 residues pruned to eliminate duplicates Z: 9 3.080 1.865 0.312 0.317 0.750 0.375 CB 0.727 9 residues pruned to eliminate duplicates Z: 6 2.570 1.708 0.414 0.334 0.800 0.400 CB 0.714 6 residues pruned to eliminate duplicates Z: 12 9.145 1.747 0.915 0.427 0.909 0.545 CB 0.979 12 residues pruned to eliminate duplicates Z: 9 10.686 1.726 1.113 0.593 1.000 0.750 CB 0.948 9 residues pruned to eliminate duplicates Z: 14 5.430 1.654 0.615 0.359 0.846 0.615 CB 0.776 14 residues pruned to eliminate duplicates Z: 23 18.220 1.847 0.863 0.660 0.909 0.591 CB 1.070 23 residues pruned to eliminate duplicates Z: 8 5.971 1.718 0.654 0.429 0.857 0.714 CB 0.997 8 residues pruned to eliminate duplicates Z: 20 13.262 1.906 0.418 0.371 0.842 0.579 CB 1.534 19 residues pruned to eliminate duplicates Z: 6 4.675 1.508 0.639 0.385 1.000 0.600 N 0.956 6 residues pruned to eliminate duplicates Z: 20 14.621 1.909 0.558 0.492 0.789 0.526 CB 1.440 20 residues pruned to eliminate duplicates Z: 18 16.202 1.900 0.433 0.588 0.882 0.647 CB 1.503 18 residues pruned to eliminate duplicates Z: 23 17.785 1.857 0.595 0.487 0.864 0.591 CB 1.501 23 residues pruned to eliminate duplicates Z: 23 20.543 1.868 0.556 0.522 1.000 0.636 CB 1.475 21 residues pruned to eliminate duplicates Z: 12 13.221 1.777 0.461 0.682 0.909 0.818 CA 1.429 12 residues pruned to eliminate duplicates Z: 19 15.185 1.809 0.567 0.606 0.833 0.722 CB 1.370 19 residues pruned to eliminate duplicates Z: 13 13.160 1.737 0.638 0.581 0.917 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 21 17.067 1.878 0.658 0.530 0.850 0.500 CB 1.399 27 residues pruned to eliminate duplicates Z: 11 14.291 1.604 0.662 0.864 1.000 0.500 N 1.243 11 residues pruned to eliminate duplicates Z: 36 16.388 1.716 0.736 0.439 0.829 0.429 CB 1.194 60 residues pruned to eliminate duplicates Z: 9 16.996 1.766 0.835 0.849 1.000 0.500 CB 1.374 Z: 10 16.044 1.715 0.934 0.867 0.889 0.667 CA 1.327 9 residues pruned to eliminate duplicates Z: 11 16.139 1.590 0.792 0.893 1.000 0.700 CB 1.285 10 residues pruned to eliminate duplicates Z: 6 2.512 1.428 0.027 0.441 1.000 0.600 N 0.815 6 residues pruned to eliminate duplicates Z: 30 14.743 1.731 0.532 0.453 0.931 0.517 CB 1.163 31 residues pruned to eliminate duplicates 6 1.984 1.484 0.502 0.217 0.800 0.400 CA 0.693 ? Z: 8 5.204 1.477 0.490 0.399 1.000 0.571 CB 0.994 Z: 6 3.565 1.638 0.034 0.364 1.000 0.600 N 1.090 6 residues pruned to eliminate duplicates Z: 16 9.691 1.926 0.248 0.365 0.867 0.400 CA 1.389 16 residues pruned to eliminate duplicates Z: 13 13.044 2.012 0.362 0.438 0.917 0.417 CB 1.598 13 residues pruned to eliminate duplicates Z: 13 9.474 1.974 0.218 0.455 0.833 0.500 CB 1.428 13 residues pruned to eliminate duplicates Z: 15 11.740 1.892 0.524 0.442 0.786 0.500 N 1.470 15 residues pruned to eliminate duplicates Z: 15 10.801 1.835 0.508 0.369 0.857 0.429 CA 1.400 15 residues pruned to eliminate duplicates Z: 13 14.556 2.045 0.578 0.438 0.917 0.583 CA 1.515 13 residues pruned to eliminate duplicates Z: 22 14.017 1.818 0.538 0.441 0.857 0.667 CB 1.355 22 residues pruned to eliminate duplicates Z: 23 14.923 1.756 0.473 0.515 0.909 0.636 CB 1.333 23 residues pruned to eliminate duplicates Z: 30 11.557 1.720 0.385 0.371 0.862 0.586 CB 1.200 30 residues pruned to eliminate duplicates Z: 29 14.450 1.750 0.458 0.405 0.893 0.464 CB 1.324 29 residues pruned to eliminate duplicates Z: 30 20.632 1.797 0.662 0.517 0.966 0.655 CA 1.306 30 residues pruned to eliminate duplicates Z: 8 3.077 1.152 0.667 0.451 0.857 0.571 CB 0.743 Z: 7 2.562 1.262 0.538 0.453 0.833 0.500 CB 0.678 5 residues pruned to eliminate duplicates Z: 18 16.955 1.860 0.543 0.688 0.941 0.588 CA 1.281 18 residues pruned to eliminate duplicates Z: 25 22.005 1.902 0.395 0.723 0.958 0.625 CB 1.445 27 residues pruned to eliminate duplicates Z: 19 17.979 1.876 0.390 0.793 1.000 0.778 CA 1.256 19 residues pruned to eliminate duplicates Z: 31 16.747 1.811 0.323 0.581 0.900 0.667 CB 1.311 31 residues pruned to eliminate duplicates Z: 24 21.691 1.916 0.326 0.728 0.957 0.522 CA 1.516 25 residues pruned to eliminate duplicates Z: 17 21.226 1.945 0.443 0.876 0.938 0.812 CA 1.465 17 residues pruned to eliminate duplicates Z: 25 22.181 1.890 0.405 0.684 1.000 0.750 CA 1.440 25 residues pruned to eliminate duplicates Z: 26 18.482 1.863 0.378 0.689 0.920 0.600 CB 1.317 26 residues pruned to eliminate duplicates Z: 19 20.135 1.950 0.533 0.762 0.889 0.722 CA 1.415 19 residues pruned to eliminate duplicates Z: 16 18.991 1.916 0.601 0.835 0.867 0.733 CB 1.382 16 residues pruned to eliminate duplicates Z: 27 21.848 1.857 0.494 0.684 0.962 0.731 CB 1.357 27 residues pruned to eliminate duplicates Z: 25 22.420 1.909 0.326 0.746 1.000 0.750 CB 1.451 25 residues pruned to eliminate duplicates Z: 26 23.805 1.889 0.525 0.681 0.960 0.560 CA 1.458 26 residues pruned to eliminate duplicates Z: 26 22.452 1.879 0.478 0.707 1.000 0.680 CA 1.339 26 residues pruned to eliminate duplicates Z: 24 18.880 1.878 0.397 0.633 0.913 0.522 CB 1.450 23 residues pruned to eliminate duplicates Z: 17 20.303 1.868 0.518 0.863 1.000 0.812 CA 1.313 17 residues pruned to eliminate duplicates Z: 12 10.584 1.793 0.144 0.677 0.909 0.727 CB 1.453 12 residues pruned to eliminate duplicates Z: 25 10.136 1.713 0.218 0.452 0.917 0.625 CB 1.137 16 residues pruned to eliminate duplicates Z: 25 24.887 1.813 0.543 0.817 1.000 0.792 CA 1.379 33 residues pruned to eliminate duplicates Z: 7 9.532 1.566 0.857 0.854 1.000 0.667 CB 0.988 7 residues pruned to eliminate duplicates Z: 32 18.764 1.878 0.369 0.611 0.903 0.484 CB 1.306 32 residues pruned to eliminate duplicates Z: 14 14.644 1.809 0.507 0.750 0.923 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 33 18.988 1.860 0.377 0.565 0.938 0.562 CB 1.313 33 residues pruned to eliminate duplicates Z: 7 11.181 1.568 1.369 0.825 0.833 0.500 CB 1.113 7 residues pruned to eliminate duplicates Z: 33 20.200 1.873 0.447 0.584 0.938 0.594 CB 1.296 33 residues pruned to eliminate duplicates Z: 33 16.137 1.816 0.425 0.531 0.875 0.500 CB 1.222 33 residues pruned to eliminate duplicates Z: 6 4.363 1.761 0.267 0.339 0.800 0.200 CB 1.303 Z: 9 4.308 1.403 0.562 0.525 1.000 0.625 CB 0.678 6 residues pruned to eliminate duplicates Z: 8 2.925 1.496 0.011 0.359 0.857 0.429 CB 0.993 6 residues pruned to eliminate duplicates Z: 7 4.133 1.652 0.555 0.387 0.667 0.333 CA 1.112 7 residues pruned to eliminate duplicates Z: 24 8.173 1.813 0.415 0.238 0.783 0.435 CB 1.149 24 residues pruned to eliminate duplicates Z: 17 12.848 1.968 0.750 0.379 0.812 0.562 CB 1.306 17 residues pruned to eliminate duplicates Z: 29 13.537 1.859 0.629 0.316 0.857 0.643 CA 1.208 29 residues pruned to eliminate duplicates Z: 21 14.122 1.863 0.720 0.363 0.950 0.500 CB 1.203 23 residues pruned to eliminate duplicates Z: 6 2.594 1.273 0.451 0.478 0.800 0.400 CB 0.802 6 residues pruned to eliminate duplicates Z: 34 14.915 1.853 0.583 0.361 0.848 0.545 CB 1.212 34 residues pruned to eliminate duplicates Z: 31 16.575 1.895 0.611 0.350 0.900 0.500 CB 1.294 31 residues pruned to eliminate duplicates Z: 21 12.273 1.868 0.767 0.357 0.750 0.450 CB 1.294 21 residues pruned to eliminate duplicates Z: 36 18.663 1.916 0.519 0.335 0.943 0.629 CB 1.376 36 residues pruned to eliminate duplicates Z: 15 13.268 1.925 0.626 0.354 1.000 0.571 CB 1.326 15 residues pruned to eliminate duplicates Z: 30 15.349 1.874 0.765 0.343 0.862 0.483 CB 1.186 30 residues pruned to eliminate duplicates Z: 15 7.755 1.722 0.681 0.218 0.714 0.357 CB 1.396 15 residues pruned to eliminate duplicates Z: 18 7.045 1.752 0.259 0.293 0.765 0.353 CB 1.277 18 residues pruned to eliminate duplicates Z: 22 26.284 1.959 0.671 0.739 0.952 0.524 CB 1.486 22 residues pruned to eliminate duplicates Z: 25 24.896 1.898 0.670 0.748 0.958 0.750 CB 1.341 25 residues pruned to eliminate duplicates Z: 23 24.405 1.932 0.521 0.735 1.000 0.727 CB 1.433 33 residues pruned to eliminate duplicates Z: 41 23.979 1.883 0.663 0.543 0.875 0.600 CB 1.326 80 residues pruned to eliminate duplicates Z: 24 25.242 1.909 0.651 0.761 1.000 0.739 CB 1.324 24 residues pruned to eliminate duplicates Z: 23 25.657 1.829 0.626 0.738 1.000 0.818 CB 1.485 23 residues pruned to eliminate duplicates Z: 27 26.015 1.907 0.577 0.684 1.000 0.769 CB 1.433 27 residues pruned to eliminate duplicates Z: 24 24.484 1.864 0.732 0.721 0.957 0.826 CB 1.354 24 residues pruned to eliminate duplicates Z: 22 27.487 1.964 0.571 0.781 1.000 0.714 CB 1.517 22 residues pruned to eliminate duplicates Z: 23 27.135 1.969 0.580 0.773 1.000 0.818 CB 1.462 23 residues pruned to eliminate duplicates Z: 26 24.474 1.882 0.587 0.730 0.960 0.680 CB 1.388 26 residues pruned to eliminate duplicates Z: 25 27.621 1.916 0.641 0.763 0.958 0.750 CB 1.482 25 residues pruned to eliminate duplicates Z: 23 25.913 1.969 0.520 0.717 1.000 0.682 CB 1.518 23 residues pruned to eliminate duplicates Z: 23 21.448 1.933 0.419 0.700 0.955 0.727 CB 1.456 23 residues pruned to eliminate duplicates Z: 42 28.272 1.894 0.733 0.557 0.902 0.683 CB 1.410 53 residues pruned to eliminate duplicates Z: 18 24.960 1.866 0.868 0.883 0.882 0.529 CB 1.423 19 residues pruned to eliminate duplicates Z: 15 24.118 1.942 0.786 0.927 0.857 0.786 CB 1.519 15 residues pruned to eliminate duplicates Z: 23 26.777 1.977 0.622 0.722 0.955 0.727 CB 1.527 23 residues pruned to eliminate duplicates Z: 22 25.895 1.964 0.594 0.746 0.952 0.619 CB 1.522 22 residues pruned to eliminate duplicates Z: 22 27.604 1.958 0.675 0.767 0.952 0.667 CB 1.522 22 residues pruned to eliminate duplicates Z: 25 25.125 1.906 0.732 0.701 0.958 0.750 CB 1.349 26 residues pruned to eliminate duplicates Z: 18 24.572 1.880 0.735 0.874 1.000 0.706 CB 1.330 17 residues pruned to eliminate duplicates Z: 17 26.914 1.914 0.807 0.888 1.000 0.625 CB 1.402 17 residues pruned to eliminate duplicates Z: 17 28.943 1.927 0.966 0.875 1.000 0.500 CB 1.389 17 residues pruned to eliminate duplicates Z: 18 27.817 1.858 0.902 0.877 1.000 0.294 CB 1.386 18 residues pruned to eliminate duplicates Z: 32 21.808 1.792 0.554 0.659 0.935 0.613 CB 1.298 32 residues pruned to eliminate duplicates Z: 8 3.229 1.355 0.423 0.276 0.714 0.429 O 1.141 Z: 7 5.640 1.579 0.634 0.360 0.833 0.500 O 1.245 Z: 6 4.944 1.627 0.806 0.441 0.800 0.600 CA 1.000 6 residues pruned to eliminate duplicates Z: 6 3.003 1.500 0.692 0.279 0.600 0.400 CA 1.132 4 residues pruned to eliminate duplicates Z: 6 5.716 1.716 0.237 0.646 1.000 1.000 CB 1.051 Z: 6 4.111 1.859 0.345 0.163 1.000 0.800 CA 1.109 Z: 8 4.184 1.726 0.285 0.577 1.000 0.571 CA 0.662 3 residues pruned to eliminate duplicates Z: 6 6.817 1.828 0.244 0.854 1.000 1.000 CB 0.990 6 residues pruned to eliminate duplicates Z: 7 8.426 1.791 0.308 0.826 1.000 0.667 CB 1.107 6 residues pruned to eliminate duplicates Z: 8 6.661 1.765 0.198 0.595 1.000 0.714 CA 1.086 8 residues pruned to eliminate duplicates Z: 32 16.412 1.885 0.418 0.555 0.935 0.548 CB 1.118 18 residues pruned to eliminate duplicates Z: 9 14.676 1.941 0.490 0.765 1.000 0.625 CA 1.418 9 residues pruned to eliminate duplicates Z: 45 21.111 1.879 0.409 0.586 0.909 0.705 CA 1.217 32 residues pruned to eliminate duplicates Z: 18 18.535 1.787 0.475 0.852 1.000 0.765 CB 1.262 19 residues pruned to eliminate duplicates Z: 18 19.234 1.830 0.453 0.866 1.000 0.824 CA 1.284 18 residues pruned to eliminate duplicates Z: 49 19.465 1.837 0.406 0.537 0.896 0.625 CB 1.171 93 residues pruned to eliminate duplicates Z: 18 13.136 1.887 0.669 0.574 0.882 0.588 CB 1.068 Z: 16 17.267 1.811 0.632 0.850 0.933 0.733 CA 1.197 7 residues pruned to eliminate duplicates Z: 18 19.710 1.778 0.567 0.854 1.000 0.588 CA 1.267 17 residues pruned to eliminate duplicates Z: 19 22.975 1.827 0.721 0.868 1.000 0.500 CA 1.258 19 residues pruned to eliminate duplicates Z: 18 20.949 1.801 0.727 0.880 0.941 0.529 CA 1.257 18 residues pruned to eliminate duplicates Z: 53 21.076 1.841 0.541 0.519 0.904 0.596 CB 1.118 38 residues pruned to eliminate duplicates Z: 19 22.587 1.849 0.655 0.893 1.000 0.722 CA 1.249 19 residues pruned to eliminate duplicates Z: 51 22.335 1.854 0.543 0.516 0.920 0.580 CB 1.181 43 residues pruned to eliminate duplicates Z: 21 23.477 1.729 0.833 0.846 1.000 0.700 CA 1.231 21 residues pruned to eliminate duplicates Z: 56 20.847 1.819 0.484 0.530 0.927 0.618 CB 1.090 55 residues pruned to eliminate duplicates Z: 18 18.962 1.830 0.527 0.822 0.941 0.588 CA 1.323 18 residues pruned to eliminate duplicates Z: 37 23.284 1.851 0.677 0.624 0.972 0.639 CB 1.144 37 residues pruned to eliminate duplicates Z: 33 22.503 1.854 0.706 0.597 0.906 0.688 CB 1.265 34 residues pruned to eliminate duplicates Z: 21 19.787 1.802 0.540 0.758 1.000 0.550 CB 1.268 21 residues pruned to eliminate duplicates Z: 32 17.962 1.808 0.604 0.613 0.903 0.613 CB 1.106 32 residues pruned to eliminate duplicates Z: 39 17.093 1.784 0.626 0.557 0.842 0.579 CB 1.073 39 residues pruned to eliminate duplicates Z: 23 21.826 1.798 1.012 0.598 0.909 0.364 CB 1.289 23 residues pruned to eliminate duplicates Z: 61 23.030 1.804 0.602 0.523 0.867 0.517 CB 1.160 56 residues pruned to eliminate duplicates 6 1.866 1.264 0.562 0.375 0.800 0.200 CB 0.604 ? Z: 6 4.532 1.532 0.859 0.272 0.800 0.600 N 1.152 6 residues pruned to eliminate duplicates Z: 10 10.107 1.748 0.566 0.722 0.889 0.667 N 1.133 10 residues pruned to eliminate duplicates Z: 7 11.845 1.834 0.577 0.664 1.000 0.833 N 1.436 7 residues pruned to eliminate duplicates Z: 10 13.616 1.821 0.523 0.680 1.000 0.667 N 1.386 10 residues pruned to eliminate duplicates Z: 14 15.480 1.733 0.431 0.854 1.000 0.846 CB 1.279 14 residues pruned to eliminate duplicates Z: 15 17.028 1.718 0.547 0.849 1.000 0.857 CB 1.270 15 residues pruned to eliminate duplicates Z: 13 6.623 1.551 0.381 0.546 0.750 0.500 O 1.138 13 residues pruned to eliminate duplicates Z: 14 13.909 1.762 0.332 0.724 1.000 0.846 CB 1.343 13 residues pruned to eliminate duplicates Z: 14 19.037 1.769 0.752 0.927 1.000 0.846 CB 1.193 15 residues pruned to eliminate duplicates Z: 13 18.837 1.791 0.759 0.916 1.000 0.917 CB 1.218 13 residues pruned to eliminate duplicates Z: 13 17.222 1.803 0.870 0.749 1.000 0.333 CB 1.181 13 residues pruned to eliminate duplicates Z: 12 15.263 1.773 0.926 0.686 0.909 0.455 CB 1.250 12 residues pruned to eliminate duplicates Z: 12 17.136 1.803 0.955 0.819 1.000 0.455 CB 1.111 12 residues pruned to eliminate duplicates Z: 19 14.348 1.744 0.642 0.623 0.833 0.444 CB 1.262 13 residues pruned to eliminate duplicates Z: 13 18.175 1.722 1.013 0.863 1.000 0.333 CB 1.110 13 residues pruned to eliminate duplicates Z: 12 16.168 1.754 0.870 0.875 0.909 0.455 CB 1.189 12 residues pruned to eliminate duplicates Z: 31 24.344 1.798 0.687 0.713 1.000 0.633 CB 1.208 39 residues pruned to eliminate duplicates Z: 14 16.412 1.787 0.848 0.868 1.000 0.538 CB 1.008 14 residues pruned to eliminate duplicates Z: 27 25.017 1.869 0.737 0.737 1.000 0.731 CB 1.221 27 residues pruned to eliminate duplicates Z: 27 22.429 1.845 0.686 0.699 0.962 0.615 CB 1.227 27 residues pruned to eliminate duplicates Z: 27 23.080 1.858 0.769 0.751 0.962 0.577 CB 1.144 27 residues pruned to eliminate duplicates Z: 14 14.639 1.904 0.625 0.595 0.923 0.769 CB 1.298 14 residues pruned to eliminate duplicates Z: 16 13.519 1.814 0.600 0.466 0.933 0.467 CB 1.333 16 residues pruned to eliminate duplicates Z: 16 12.347 1.879 0.596 0.477 0.867 0.467 CB 1.255 16 residues pruned to eliminate duplicates Z: 17 16.637 1.867 0.634 0.636 0.938 0.688 CB 1.280 17 residues pruned to eliminate duplicates Z: 13 14.769 1.952 0.452 0.561 0.917 0.583 CB 1.547 13 residues pruned to eliminate duplicates Z: 27 23.098 1.845 0.801 0.724 0.923 0.692 CB 1.207 27 residues pruned to eliminate duplicates Z: 13 13.988 1.970 0.477 0.529 0.917 0.417 CB 1.471 13 residues pruned to eliminate duplicates Z: 14 9.866 1.939 0.294 0.380 0.923 0.538 CB 1.343 14 residues pruned to eliminate duplicates Z: 6 5.276 1.886 0.191 0.398 0.800 0.600 CB 1.462 6 residues pruned to eliminate duplicates Z: 14 11.517 1.949 0.324 0.494 0.923 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 13 13.619 1.749 0.690 0.647 0.917 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 13 7.973 1.501 0.783 0.560 0.750 0.417 N 1.081 13 residues pruned to eliminate duplicates Z: 11 9.220 1.641 0.689 0.546 0.900 0.500 N 1.117 11 residues pruned to eliminate duplicates Z: 7 10.305 1.788 0.743 0.692 1.000 0.833 CB 1.132 7 residues pruned to eliminate duplicates Z: 20 9.407 1.569 0.542 0.507 0.842 0.684 CB 1.051 20 residues pruned to eliminate duplicates Z: 20 14.628 1.803 1.020 0.593 0.895 0.684 CB 0.942 20 residues pruned to eliminate duplicates Z: 12 8.930 1.592 0.752 0.451 0.909 0.545 CB 1.117 12 residues pruned to eliminate duplicates Z: 28 19.181 1.888 0.622 0.580 0.852 0.556 CB 1.310 28 residues pruned to eliminate duplicates Z: 33 20.332 1.901 0.330 0.647 0.969 0.719 CB 1.279 33 residues pruned to eliminate duplicates Z: 23 24.108 1.942 0.560 0.770 1.000 0.727 CA 1.336 23 residues pruned to eliminate duplicates Z: 17 14.116 1.816 0.539 0.711 0.812 0.562 CB 1.283 17 residues pruned to eliminate duplicates Z: 21 19.045 1.990 0.490 0.684 0.950 0.700 CA 1.277 21 residues pruned to eliminate duplicates Z: 24 20.856 1.924 0.416 0.666 1.000 0.565 CB 1.369 24 residues pruned to eliminate duplicates Z: 26 23.512 1.946 0.478 0.763 0.960 0.800 CA 1.349 26 residues pruned to eliminate duplicates Z: 24 15.056 1.807 0.453 0.565 0.826 0.522 CB 1.359 24 residues pruned to eliminate duplicates Z: 23 22.514 1.902 0.741 0.635 0.955 0.455 CB 1.338 23 residues pruned to eliminate duplicates Z: 32 20.788 1.907 0.561 0.590 0.871 0.613 CB 1.321 32 residues pruned to eliminate duplicates Z: 27 21.012 1.943 0.428 0.639 0.962 0.577 CB 1.356 27 residues pruned to eliminate duplicates Z: 29 19.194 1.907 0.436 0.584 0.964 0.536 CB 1.268 29 residues pruned to eliminate duplicates Z: 35 21.641 1.889 0.384 0.630 0.912 0.647 CA 1.378 35 residues pruned to eliminate duplicates Z: 24 24.822 1.966 0.619 0.765 1.000 0.783 CA 1.286 24 residues pruned to eliminate duplicates Z: 21 22.377 2.051 0.498 0.741 0.950 0.700 CA 1.381 21 residues pruned to eliminate duplicates Z: 10 17.421 1.873 0.717 0.693 1.000 0.667 CB 1.514 10 residues pruned to eliminate duplicates Z: 28 15.016 1.751 0.430 0.551 0.852 0.593 CB 1.289 28 residues pruned to eliminate duplicates Z: 19 14.962 1.881 0.306 0.485 1.000 0.722 CB 1.457 19 residues pruned to eliminate duplicates Z: 29 18.280 1.875 0.452 0.636 0.857 0.607 CB 1.303 29 residues pruned to eliminate duplicates Z: 31 18.211 1.875 0.458 0.564 0.800 0.500 CB 1.429 31 residues pruned to eliminate duplicates Z: 32 24.310 1.927 0.492 0.633 0.935 0.613 CB 1.433 32 residues pruned to eliminate duplicates Z: 34 20.599 1.905 0.363 0.608 0.848 0.485 CB 1.469 34 residues pruned to eliminate duplicates Z: 35 17.862 1.918 0.442 0.500 0.824 0.412 CB 1.345 35 residues pruned to eliminate duplicates Z: 34 20.350 1.922 0.497 0.552 0.848 0.576 CB 1.380 34 residues pruned to eliminate duplicates Z: 31 20.994 1.891 0.619 0.505 0.867 0.633 CB 1.437 31 residues pruned to eliminate duplicates Z: 30 30.505 1.945 0.749 0.672 0.966 0.621 CA 1.472 30 residues pruned to eliminate duplicates Z: 33 20.754 1.906 0.551 0.513 0.906 0.531 CB 1.352 33 residues pruned to eliminate duplicates Z: 18 20.499 1.964 0.788 0.558 0.824 0.471 CB 1.624 18 residues pruned to eliminate duplicates Z: 34 19.042 1.873 0.697 0.508 0.818 0.485 CB 1.265 34 residues pruned to eliminate duplicates Z: 23 9.826 1.792 0.410 0.376 0.727 0.273 CB 1.301 23 residues pruned to eliminate duplicates Z: 46 23.356 1.894 0.709 0.473 0.844 0.489 CB 1.310 46 residues pruned to eliminate duplicates Z: 37 23.900 1.927 0.581 0.545 0.917 0.667 CB 1.365 37 residues pruned to eliminate duplicates Z: 27 13.728 1.813 0.682 0.412 0.808 0.577 CB 1.198 27 residues pruned to eliminate duplicates Z: 33 16.761 1.971 0.587 0.267 0.844 0.500 CB 1.464 33 residues pruned to eliminate duplicates Z: 43 21.871 2.080 0.519 0.324 0.905 0.619 CB 1.433 43 residues pruned to eliminate duplicates Z: 41 22.054 2.024 0.670 0.332 0.850 0.575 CB 1.460 41 residues pruned to eliminate duplicates Z: 64 27.156 2.027 0.488 0.415 0.889 0.587 CB 1.395 64 residues pruned to eliminate duplicates Z: 62 23.947 1.973 0.466 0.392 0.836 0.574 CB 1.421 62 residues pruned to eliminate duplicates Z: 40 21.153 2.083 0.532 0.325 0.846 0.590 CB 1.521 40 residues pruned to eliminate duplicates Z: 31 20.326 2.062 0.583 0.319 0.967 0.567 CB 1.436 31 residues pruned to eliminate duplicates Z: 44 18.926 2.018 0.561 0.315 0.837 0.628 CB 1.342 44 residues pruned to eliminate duplicates Z: 55 21.828 1.860 0.574 0.459 0.852 0.593 CB 1.242 55 residues pruned to eliminate duplicates Z: 56 26.183 2.011 0.607 0.418 0.873 0.545 CB 1.365 56 residues pruned to eliminate duplicates Z: 42 19.705 2.024 0.557 0.298 0.854 0.659 CB 1.433 42 residues pruned to eliminate duplicates Z: 36 22.993 2.137 0.482 0.364 0.914 0.743 CB 1.554 36 residues pruned to eliminate duplicates Z: 74 32.906 2.002 0.620 0.433 0.877 0.616 CB 1.452 74 residues pruned to eliminate duplicates Z: 72 25.825 2.018 0.494 0.373 0.859 0.563 CB 1.356 72 residues pruned to eliminate duplicates Z: 43 24.641 2.151 0.583 0.371 0.881 0.643 CB 1.456 43 residues pruned to eliminate duplicates Z: 36 20.391 2.035 0.567 0.330 0.943 0.514 CA 1.381 36 residues pruned to eliminate duplicates Z: 26 22.434 2.108 0.512 0.380 1.000 0.640 CB 1.600 26 residues pruned to eliminate duplicates Z: 74 33.135 2.018 0.557 0.458 0.932 0.644 CB 1.383 74 residues pruned to eliminate duplicates Z: 35 19.180 2.067 0.648 0.312 0.824 0.588 CB 1.444 35 residues pruned to eliminate duplicates Z: 60 29.175 2.030 0.580 0.397 0.949 0.559 CB 1.390 60 residues pruned to eliminate duplicates Z: 74 32.821 2.037 0.534 0.463 0.890 0.616 CB 1.434 74 residues pruned to eliminate duplicates Z: 37 20.803 2.091 0.575 0.279 0.861 0.556 CB 1.569 37 residues pruned to eliminate duplicates Z: 36 23.596 2.118 0.663 0.272 0.914 0.571 CA 1.604 36 residues pruned to eliminate duplicates Z: 38 21.956 2.124 0.582 0.377 0.838 0.676 CB 1.462 38 residues pruned to eliminate duplicates Z: 35 20.800 2.095 0.659 0.297 0.853 0.647 CB 1.510 35 residues pruned to eliminate duplicates Z: 37 22.770 2.171 0.517 0.383 0.917 0.694 CB 1.424 37 residues pruned to eliminate duplicates Z: 44 20.744 1.987 0.605 0.317 0.860 0.581 CB 1.410 44 residues pruned to eliminate duplicates Z: 35 26.842 2.166 0.621 0.387 0.941 0.706 CB 1.570 35 residues pruned to eliminate duplicates Z: 74 33.036 2.018 0.523 0.435 0.945 0.589 CB 1.422 74 residues pruned to eliminate duplicates Z: 74 31.920 2.026 0.527 0.434 0.945 0.616 CB 1.368 74 residues pruned to eliminate duplicates Z: 36 21.191 2.094 0.573 0.317 0.886 0.714 CB 1.502 36 residues pruned to eliminate duplicates Z: 32 19.626 2.132 0.550 0.325 0.839 0.613 CB 1.542 32 residues pruned to eliminate duplicates Z: 14 14.389 2.036 0.810 0.408 0.846 0.462 CB 1.410 14 residues pruned to eliminate duplicates Z: 43 19.205 1.949 0.673 0.274 0.857 0.524 CA 1.371 43 residues pruned to eliminate duplicates Z: 39 18.350 2.065 0.644 0.253 0.789 0.605 CB 1.476 39 residues pruned to eliminate duplicates Z: 63 25.965 2.019 0.560 0.368 0.855 0.629 CB 1.412 63 residues pruned to eliminate duplicates Z: 39 22.299 2.121 0.577 0.366 0.868 0.605 CB 1.438 39 residues pruned to eliminate duplicates Z: 48 19.175 2.048 0.511 0.318 0.872 0.660 CB 1.268 48 residues pruned to eliminate duplicates Z: 75 34.261 2.020 0.630 0.448 0.919 0.676 CB 1.389 75 residues pruned to eliminate duplicates Z: 84 31.309 1.995 0.628 0.422 0.855 0.590 CB 1.342 84 residues pruned to eliminate duplicates Z: 50 22.345 2.043 0.626 0.307 0.918 0.612 CB 1.298 50 residues pruned to eliminate duplicates Z: 10 7.863 1.923 0.885 0.420 0.778 0.444 CB 1.010 10 residues pruned to eliminate duplicates Z: 10 12.974 1.892 0.873 0.394 0.889 0.444 CA 1.536 10 residues pruned to eliminate duplicates Z: 25 17.597 1.846 0.702 0.526 0.792 0.625 CB 1.408 25 residues pruned to eliminate duplicates Z: 13 10.735 1.918 0.846 0.456 0.667 0.500 CB 1.373 13 residues pruned to eliminate duplicates Z: 25 19.249 1.989 0.812 0.437 0.875 0.458 CB 1.329 25 residues pruned to eliminate duplicates Z: 96 33.569 1.982 0.574 0.437 0.905 0.547 CB 1.301 96 residues pruned to eliminate duplicates Z: 37 17.001 1.858 0.605 0.373 0.833 0.556 CB 1.307 34 residues pruned to eliminate duplicates Z: 9 10.711 1.722 0.814 0.604 0.875 0.375 CB 1.255 9 residues pruned to eliminate duplicates Z: 23 16.353 1.830 0.778 0.481 0.909 0.591 CB 1.202 23 residues pruned to eliminate duplicates Z: 17 12.824 1.867 0.670 0.542 0.812 0.500 CB 1.214 17 residues pruned to eliminate duplicates Z: 22 15.337 1.799 0.531 0.477 0.905 0.429 CB 1.374 22 residues pruned to eliminate duplicates Z: 23 15.414 1.846 0.726 0.457 0.864 0.545 CB 1.248 27 residues pruned to eliminate duplicates Z: 9 12.091 1.656 0.827 0.750 1.000 0.875 CA 1.130 9 residues pruned to eliminate duplicates Z: 65 27.236 2.005 0.699 0.355 0.875 0.641 CB 1.335 66 residues pruned to eliminate duplicates Z: 11 11.543 1.481 0.768 0.883 1.000 0.900 CA 1.008 11 residues pruned to eliminate duplicates Z: 35 19.672 1.959 0.694 0.438 0.824 0.676 CB 1.317 35 residues pruned to eliminate duplicates Z: 34 18.767 1.843 0.654 0.397 0.879 0.606 CB 1.360 34 residues pruned to eliminate duplicates Z: 17 16.536 1.809 0.607 0.516 1.000 0.562 CA 1.400 17 residues pruned to eliminate duplicates Z: 22 16.845 1.793 0.760 0.492 0.905 0.476 CB 1.298 22 residues pruned to eliminate duplicates Z: 24 16.771 1.824 0.658 0.445 0.913 0.478 CB 1.340 24 residues pruned to eliminate duplicates Z: 10 5.043 1.654 0.530 0.361 0.778 0.333 CB 0.992 10 residues pruned to eliminate duplicates Z: 19 5.325 1.516 0.235 0.308 0.833 0.222 CB 0.996 27 residues pruned to eliminate duplicates Z: 19 6.904 1.548 0.434 0.333 0.889 0.278 CB 0.990 19 residues pruned to eliminate duplicates Z: 10 4.946 1.656 0.555 0.332 0.889 0.333 CB 0.866 Z: 6 3.075 1.525 0.179 0.277 0.800 0.200 CA 1.231 6 residues pruned to eliminate duplicates Z: 11 11.528 1.566 0.552 0.845 1.000 0.800 CA 1.116 11 residues pruned to eliminate duplicates Z: 8 2.916 1.446 0.177 0.394 0.714 0.429 CB 1.014 Z: 9 9.243 1.506 0.365 0.742 1.000 0.375 CB 1.281 17 residues pruned to eliminate duplicates Z: 13 11.212 1.632 0.490 0.658 1.000 0.417 CB 1.149 17 residues pruned to eliminate duplicates Z: 11 12.528 1.493 0.689 0.841 1.000 0.600 CA 1.172 11 residues pruned to eliminate duplicates Z: 10 10.031 1.496 0.703 0.831 0.889 0.444 CB 1.109 10 residues pruned to eliminate duplicates Z: 18 11.806 1.655 0.628 0.622 0.882 0.588 CB 1.074 14 residues pruned to eliminate duplicates Z: 11 14.385 1.556 0.689 0.863 1.000 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 12 12.078 1.447 0.666 0.855 1.000 0.727 CB 1.115 12 residues pruned to eliminate duplicates Z: 7 2.894 1.386 0.307 0.316 0.833 0.667 CB 0.960 Z: 6 3.749 1.701 0.660 0.292 0.600 0.200 CA 1.249 Z: 6 2.503 1.554 0.609 0.141 0.600 0.200 O 1.165 14 residues pruned to eliminate duplicates 6 1.529 1.176 0.602 0.271 1.000 0.400 N 0.471 ? Z: 7 3.898 1.344 0.604 0.341 0.833 0.333 CB 1.053 7 residues pruned to eliminate duplicates Z: 38 12.240 1.740 0.410 0.487 0.892 0.595 CB 0.932 37 residues pruned to eliminate duplicates Z: 9 9.083 1.844 0.274 0.767 1.000 1.000 CB 1.079 9 residues pruned to eliminate duplicates Z: 16 7.180 1.686 0.288 0.463 0.867 0.733 CB 1.023 16 residues pruned to eliminate duplicates Z: 16 7.712 1.796 0.260 0.518 0.867 0.733 CB 0.998 16 residues pruned to eliminate duplicates Z: 10 6.262 1.726 0.076 0.595 0.889 0.667 CB 1.155 10 residues pruned to eliminate duplicates Z: 21 12.932 1.847 0.345 0.526 1.000 0.700 CB 1.134 21 residues pruned to eliminate duplicates Z: 28 10.653 1.676 0.499 0.505 0.852 0.556 CB 0.953 28 residues pruned to eliminate duplicates Z: 9 5.880 1.907 -0.075 0.637 0.875 0.625 CB 1.184 9 residues pruned to eliminate duplicates Z: 38 16.502 1.816 0.510 0.455 0.892 0.568 CB 1.161 40 residues pruned to eliminate duplicates Z: 13 11.886 1.644 0.588 0.677 0.917 0.833 N 1.217 13 residues pruned to eliminate duplicates Z: 38 15.077 1.817 0.432 0.442 0.892 0.568 CB 1.134 38 residues pruned to eliminate duplicates Z: 33 17.057 1.847 0.542 0.421 0.938 0.656 CB 1.226 33 residues pruned to eliminate duplicates Z: 26 12.356 1.926 0.443 0.458 0.880 0.520 CB 1.055 26 residues pruned to eliminate duplicates Z: 50 13.411 1.788 0.386 0.427 0.837 0.551 CB 0.996 50 residues pruned to eliminate duplicates Z: 29 11.670 1.798 0.548 0.337 0.857 0.500 CB 1.105 29 residues pruned to eliminate duplicates Z: 36 15.213 1.836 0.464 0.471 0.857 0.629 CB 1.149 36 residues pruned to eliminate duplicates Z: 12 5.819 1.877 0.381 0.347 0.727 0.545 CB 1.099 12 residues pruned to eliminate duplicates Z: 14 9.306 1.961 0.253 0.477 0.769 0.462 CB 1.398 14 residues pruned to eliminate duplicates Z: 25 12.979 1.841 0.582 0.305 0.875 0.250 CB 1.292 26 residues pruned to eliminate duplicates Z: 6 3.361 1.590 0.434 0.249 0.800 0.600 O 1.100 6 residues pruned to eliminate duplicates Z: 15 10.336 1.706 0.733 0.430 0.857 0.571 CB 1.172 14 residues pruned to eliminate duplicates Z: 6 2.343 1.134 0.384 0.298 1.000 0.600 N 0.837 6 residues pruned to eliminate duplicates Z: 9 7.863 1.738 0.241 0.463 1.000 0.500 CB 1.337 9 residues pruned to eliminate duplicates Z: 10 7.502 1.596 0.647 0.377 0.778 0.667 N 1.394 10 residues pruned to eliminate duplicates Z: 8 2.215 1.316 0.002 0.308 0.857 0.571 N 0.917 3 residues pruned to eliminate duplicates Z: 7 3.682 1.361 0.829 0.438 0.667 0.333 CA 0.966 Z: 6 4.989 1.495 0.932 0.468 1.000 0.400 CA 0.798 Z: 6 5.002 1.492 0.751 0.311 1.000 0.600 CA 1.055 12 residues pruned to eliminate duplicates Z: 16 14.601 1.933 0.750 0.394 0.867 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 15 13.360 1.959 0.654 0.398 0.857 0.643 CB 1.432 22 residues pruned to eliminate duplicates Z: 20 13.540 1.876 0.664 0.442 0.842 0.474 CB 1.254 20 residues pruned to eliminate duplicates Z: 19 14.331 1.889 0.718 0.410 0.944 0.500 CB 1.211 19 residues pruned to eliminate duplicates Z: 16 17.285 1.995 0.732 0.432 0.933 0.600 CB 1.485 16 residues pruned to eliminate duplicates Z: 7 7.042 1.557 0.658 0.725 0.833 0.833 CB 1.091 7 residues pruned to eliminate duplicates Z: 38 26.934 1.935 0.566 0.617 0.919 0.784 CB 1.424 38 residues pruned to eliminate duplicates Z: 31 22.692 1.903 0.482 0.622 0.933 0.733 CB 1.403 31 residues pruned to eliminate duplicates Z: 22 16.828 1.925 0.632 0.443 0.905 0.714 CB 1.371 22 residues pruned to eliminate duplicates Z: 51 28.022 1.919 0.557 0.553 0.900 0.660 CB 1.399 51 residues pruned to eliminate duplicates Z: 22 24.994 1.918 0.725 0.808 1.000 0.857 CA 1.261 22 residues pruned to eliminate duplicates Z: 27 26.721 1.972 0.790 0.652 0.923 0.808 CA 1.397 27 residues pruned to eliminate duplicates Z: 53 31.948 1.947 0.588 0.512 0.942 0.654 CB 1.502 53 residues pruned to eliminate duplicates Z: 42 29.923 1.945 0.650 0.631 0.878 0.659 CB 1.466 42 residues pruned to eliminate duplicates Z: 41 31.329 1.957 0.748 0.599 0.925 0.725 CB 1.425 41 residues pruned to eliminate duplicates Z: 47 31.681 1.933 0.648 0.590 0.935 0.717 CB 1.439 47 residues pruned to eliminate duplicates Z: 32 23.871 1.895 0.675 0.568 0.871 0.581 CB 1.452 32 residues pruned to eliminate duplicates Z: 43 32.195 1.938 0.762 0.540 0.929 0.619 CB 1.506 43 residues pruned to eliminate duplicates Z: 46 30.004 1.924 0.621 0.527 0.933 0.711 CA 1.496 46 residues pruned to eliminate duplicates Z: 27 26.556 1.960 0.759 0.675 0.923 0.615 CA 1.393 27 residues pruned to eliminate duplicates Z: 47 33.033 1.970 0.682 0.555 0.935 0.674 CB 1.491 47 residues pruned to eliminate duplicates Z: 42 29.462 1.955 0.628 0.608 0.951 0.683 CB 1.371 42 residues pruned to eliminate duplicates Z: 33 24.713 1.936 0.665 0.534 0.938 0.594 CB 1.398 33 residues pruned to eliminate duplicates Z: 40 28.785 1.911 0.645 0.560 0.923 0.641 CB 1.498 40 residues pruned to eliminate duplicates Z: 46 30.557 1.978 0.645 0.550 0.933 0.667 CB 1.428 46 residues pruned to eliminate duplicates Z: 82 37.058 1.988 0.584 0.558 0.901 0.617 CB 1.372 82 residues pruned to eliminate duplicates Z: 40 33.112 1.988 0.719 0.628 0.949 0.667 CB 1.450 40 residues pruned to eliminate duplicates Z: 43 32.536 1.988 0.626 0.586 0.952 0.571 CB 1.502 43 residues pruned to eliminate duplicates Z: 52 32.346 1.984 0.586 0.548 0.902 0.608 CB 1.523 52 residues pruned to eliminate duplicates Z: 47 30.763 1.910 0.669 0.568 0.935 0.717 CB 1.425 47 residues pruned to eliminate duplicates Z: 46 30.028 1.956 0.666 0.524 0.933 0.711 CB 1.437 46 residues pruned to eliminate duplicates Z: 37 28.655 1.951 0.627 0.583 0.917 0.694 CB 1.516 37 residues pruned to eliminate duplicates Z: 49 29.509 1.923 0.576 0.581 0.917 0.688 CB 1.418 49 residues pruned to eliminate duplicates Z: 54 31.838 1.952 0.532 0.524 0.943 0.585 CB 1.514 54 residues pruned to eliminate duplicates Z: 55 35.320 1.984 0.602 0.531 0.944 0.648 CB 1.553 55 residues pruned to eliminate duplicates Z: 49 34.627 1.962 0.611 0.564 0.979 0.667 CA 1.517 49 residues pruned to eliminate duplicates Z: 36 29.354 1.999 0.569 0.574 0.971 0.629 CB 1.516 36 residues pruned to eliminate duplicates Z: 40 28.509 1.932 0.665 0.545 0.923 0.590 CB 1.472 40 residues pruned to eliminate duplicates Z: 10 12.717 1.938 0.328 0.637 0.889 0.556 CB 1.630 10 residues pruned to eliminate duplicates Z: 10 7.253 1.652 0.641 0.399 0.778 0.222 CB 1.276 10 residues pruned to eliminate duplicates Z: 9 16.269 1.916 0.652 0.586 1.000 0.625 CA 1.674 9 residues pruned to eliminate duplicates Z: 7 11.031 2.018 0.631 0.523 0.833 0.333 CB 1.606 7 residues pruned to eliminate duplicates Z: 69 41.690 1.977 0.593 0.596 0.941 0.647 CB 1.556 69 residues pruned to eliminate duplicates Z: 21 18.770 2.090 0.429 0.582 0.850 0.500 CB 1.528 21 residues pruned to eliminate duplicates Z: 16 18.787 1.984 0.623 0.598 0.933 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 32 19.313 1.882 0.503 0.541 0.839 0.548 CB 1.405 32 residues pruned to eliminate duplicates Z: 35 18.315 1.856 0.499 0.458 0.853 0.529 CB 1.381 35 residues pruned to eliminate duplicates Z: 39 26.300 2.007 0.614 0.627 0.895 0.684 CB 1.306 39 residues pruned to eliminate duplicates Z: 17 26.187 2.044 0.925 0.677 0.875 0.750 CB 1.616 17 residues pruned to eliminate duplicates Z: 25 25.333 2.074 0.619 0.567 0.917 0.500 CB 1.574 25 residues pruned to eliminate duplicates Z: 23 18.633 2.014 0.591 0.511 0.818 0.545 CB 1.499 23 residues pruned to eliminate duplicates Z: 38 27.845 2.017 0.544 0.655 0.919 0.703 CB 1.384 38 residues pruned to eliminate duplicates Z: 28 20.727 1.992 0.614 0.519 0.852 0.444 CB 1.428 28 residues pruned to eliminate duplicates Z: 22 22.490 1.971 0.700 0.596 0.905 0.714 CB 1.477 22 residues pruned to eliminate duplicates Z: 29 21.236 1.928 0.662 0.429 0.857 0.429 N 1.572 29 residues pruned to eliminate duplicates Z: 20 23.671 2.118 0.584 0.601 0.895 0.632 CB 1.643 20 residues pruned to eliminate duplicates Z: 30 20.820 1.919 0.424 0.532 0.897 0.448 CB 1.529 30 residues pruned to eliminate duplicates Z: 60 28.014 1.945 0.550 0.555 0.881 0.542 CB 1.302 60 residues pruned to eliminate duplicates Z: 20 23.481 2.123 0.520 0.653 0.895 0.684 CB 1.619 20 residues pruned to eliminate duplicates Z: 22 20.952 1.987 0.641 0.499 0.810 0.619 N 1.733 22 residues pruned to eliminate duplicates Z: 38 20.710 1.945 0.481 0.592 0.892 0.568 CB 1.213 38 residues pruned to eliminate duplicates Z: 21 19.023 1.897 0.550 0.731 1.000 0.700 CB 1.175 21 residues pruned to eliminate duplicates Z: 37 17.115 1.857 0.424 0.525 0.889 0.583 CB 1.184 37 residues pruned to eliminate duplicates Z: 42 25.843 1.936 0.615 0.600 0.878 0.585 CB 1.337 42 residues pruned to eliminate duplicates Z: 37 26.064 1.957 0.719 0.586 0.917 0.611 CB 1.298 37 residues pruned to eliminate duplicates Z: 19 15.491 1.873 0.387 0.658 0.944 0.667 CB 1.285 19 residues pruned to eliminate duplicates Z: 13 13.493 1.891 0.503 0.591 1.000 0.750 CB 1.256 13 residues pruned to eliminate duplicates Z: 20 11.991 1.830 0.624 0.576 0.842 0.526 CB 1.021 20 residues pruned to eliminate duplicates Z: 19 19.700 1.991 0.629 0.701 0.944 0.667 CB 1.262 19 residues pruned to eliminate duplicates Z: 40 26.270 1.956 0.666 0.552 0.897 0.564 CB 1.367 40 residues pruned to eliminate duplicates Z: 23 13.472 1.894 0.545 0.554 0.864 0.500 CB 1.078 23 residues pruned to eliminate duplicates Z: 23 16.141 1.838 0.522 0.575 0.955 0.727 CB 1.198 23 residues pruned to eliminate duplicates Z: 22 20.021 1.897 0.580 0.686 0.952 0.714 CB 1.291 22 residues pruned to eliminate duplicates Z: 55 28.182 1.926 0.531 0.612 0.963 0.574 CB 1.215 55 residues pruned to eliminate duplicates Z: 41 22.122 1.898 0.596 0.570 0.875 0.625 CB 1.234 41 residues pruned to eliminate duplicates Z: 35 21.268 1.890 0.491 0.621 1.000 0.676 CB 1.154 35 residues pruned to eliminate duplicates Z: 7 4.245 1.570 0.209 0.444 1.000 0.333 CB 0.967 7 residues pruned to eliminate duplicates Z: 12 9.496 1.894 0.478 0.474 0.909 0.545 CB 1.155 12 residues pruned to eliminate duplicates Z: 35 23.926 1.937 0.638 0.657 0.971 0.559 CB 1.151 35 residues pruned to eliminate duplicates Z: 34 25.258 1.939 0.656 0.686 0.970 0.667 CB 1.191 34 residues pruned to eliminate duplicates Z: 34 24.895 1.965 0.574 0.717 0.970 0.788 CB 1.187 34 residues pruned to eliminate duplicates Z: 34 26.858 1.951 0.722 0.737 0.970 0.818 CB 1.161 34 residues pruned to eliminate duplicates Z: 31 23.858 1.977 0.528 0.699 1.000 0.633 CB 1.203 31 residues pruned to eliminate duplicates Z: 34 25.584 1.946 0.575 0.709 0.970 0.788 CB 1.240 34 residues pruned to eliminate duplicates Z: 34 22.948 1.898 0.706 0.679 0.879 0.758 CB 1.191 34 residues pruned to eliminate duplicates Z: 32 23.941 1.955 0.662 0.712 0.935 0.806 CB 1.167 32 residues pruned to eliminate duplicates Z: 32 26.773 1.978 0.661 0.711 0.968 0.710 CB 1.248 32 residues pruned to eliminate duplicates Z: 29 27.416 1.995 0.652 0.743 1.000 0.857 CB 1.265 29 residues pruned to eliminate duplicates Z: 32 20.538 1.936 0.362 0.726 1.000 0.839 CB 1.142 32 residues pruned to eliminate duplicates Z: 32 20.873 1.947 0.405 0.684 0.968 0.677 CB 1.196 32 residues pruned to eliminate duplicates Z: 34 21.186 1.902 0.548 0.640 0.909 0.758 CB 1.208 34 residues pruned to eliminate duplicates Z: 25 15.699 1.963 0.362 0.677 0.875 0.792 CB 1.163 25 residues pruned to eliminate duplicates Z: 31 23.033 1.937 0.448 0.734 1.000 0.800 CB 1.215 31 residues pruned to eliminate duplicates Z: 34 24.041 1.977 0.548 0.735 0.939 0.909 CB 1.178 34 residues pruned to eliminate duplicates Z: 16 23.110 2.041 0.798 0.940 1.000 1.000 CB 1.129 16 residues pruned to eliminate duplicates Z: 32 24.613 1.963 0.590 0.701 0.968 0.806 CB 1.219 32 residues pruned to eliminate duplicates Z: 33 24.360 1.965 0.599 0.715 0.938 0.906 CB 1.203 33 residues pruned to eliminate duplicates Z: 34 25.611 1.966 0.537 0.721 0.970 0.848 CB 1.247 34 residues pruned to eliminate duplicates Z: 35 22.821 1.939 0.483 0.697 0.971 0.824 CB 1.172 35 residues pruned to eliminate duplicates Z: 34 25.437 1.962 0.607 0.711 0.970 0.848 CB 1.197 34 residues pruned to eliminate duplicates Z: 32 26.015 1.976 0.711 0.733 0.935 0.742 CB 1.198 32 residues pruned to eliminate duplicates Z: 24 22.288 1.990 0.734 0.723 0.913 0.696 CB 1.206 24 residues pruned to eliminate duplicates Z: 32 26.509 1.998 0.638 0.737 0.968 0.839 CB 1.215 32 residues pruned to eliminate duplicates Z: 31 28.739 1.969 0.777 0.750 1.000 0.833 CB 1.199 31 residues pruned to eliminate duplicates Z: 34 24.561 1.945 0.647 0.679 0.970 0.697 CB 1.167 34 residues pruned to eliminate duplicates Z: 24 22.421 1.952 0.848 0.724 0.913 0.826 CB 1.160 24 residues pruned to eliminate duplicates Z: 33 22.711 1.953 0.475 0.710 0.969 0.688 CB 1.189 33 residues pruned to eliminate duplicates Z: 10 10.023 1.719 0.744 0.340 0.889 0.333 CB 1.494 10 residues pruned to eliminate duplicates Z: 6 3.933 1.348 0.573 0.345 1.000 0.400 CA 0.982 6 residues pruned to eliminate duplicates Z: 9 3.795 1.662 0.363 0.302 0.625 0.375 CB 1.182 9 residues pruned to eliminate duplicates Z: 10 3.771 1.606 0.294 0.340 0.667 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 11 4.062 1.584 0.398 0.278 0.800 0.600 CB 0.931 11 residues pruned to eliminate duplicates Z: 13 8.713 1.663 0.534 0.568 0.750 0.500 CB 1.230 13 residues pruned to eliminate duplicates Z: 9 12.517 1.769 0.623 0.727 0.875 0.625 CB 1.435 9 residues pruned to eliminate duplicates Z: 12 9.165 1.656 0.464 0.544 0.818 0.364 CB 1.335 12 residues pruned to eliminate duplicates Z: 11 9.246 1.718 0.396 0.607 0.800 0.400 N 1.377 11 residues pruned to eliminate duplicates Z: 12 6.664 1.536 0.419 0.550 0.818 0.455 CB 1.073 12 residues pruned to eliminate duplicates Z: 13 10.151 1.717 0.468 0.543 0.833 0.250 CB 1.337 13 residues pruned to eliminate duplicates Z: 11 9.914 1.711 0.376 0.566 0.900 0.400 N 1.388 11 residues pruned to eliminate duplicates Z: 11 9.243 1.714 0.422 0.597 0.800 0.300 N 1.366 11 residues pruned to eliminate duplicates Z: 17 13.360 1.680 0.670 0.561 0.938 0.375 CB 1.197 17 residues pruned to eliminate duplicates 675 residues left after pruning, divided into chains as follows: A: 10 B: 7 C: 15 D: 10 E: 7 F: 85 G: 11 H: 7 I: 29 J: 7 K: 43 L: 56 M: 8 N: 40 O: 129 P: 8 Q: 18 R: 6 S: 47 T: 115 U: 17 CC for partial structure against native data = 36.43 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.490, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.740 for dens.mod. cycle 2 = 0.300, Contrast = 0.659, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.667, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.680, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.686, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.687, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.687, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3296 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 788 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 6 2.298 1.701 0.152 0.298 0.800 0.600 CB 0.822 B: 22 13.877 1.926 0.562 0.447 0.810 0.524 CB 1.314 C: 11 15.233 1.926 0.543 0.830 0.900 0.700 CB 1.354 D: 18 20.742 1.926 0.429 0.846 0.941 0.647 CA 1.443 E: 16 26.725 1.860 0.960 0.910 1.000 0.733 CB 1.342 11 residues pruned to eliminate duplicates F: 14 28.063 1.929 0.826 0.947 1.000 0.846 CB 1.527 14 residues pruned to eliminate duplicates G: 15 18.631 2.004 0.743 0.578 0.929 0.714 CB 1.424 H: 14 14.748 1.962 0.269 0.875 1.000 0.769 CB 1.196 I: 17 25.694 2.014 0.774 0.678 1.000 0.562 CA 1.526 J: 31 29.517 1.883 0.817 0.745 0.933 0.700 CB 1.355 32 residues pruned to eliminate duplicates K: 18 9.834 1.755 0.372 0.413 0.824 0.412 N 1.317 L: 18 16.931 1.840 0.506 0.802 0.824 0.706 CB 1.382 18 residues pruned to eliminate duplicates M: 14 14.684 1.854 0.498 0.612 0.923 0.692 CB 1.428 N: 14 18.891 1.985 0.544 0.713 0.923 0.615 CB 1.526 14 residues pruned to eliminate duplicates O: 17 15.476 1.864 0.368 0.877 0.938 0.750 CB 1.175 P: 16 18.764 2.012 0.362 0.800 0.867 0.667 CA 1.569 17 residues pruned to eliminate duplicates Q: 11 17.283 1.846 0.764 0.836 1.000 0.700 CB 1.256 R: 10 13.878 1.755 0.760 0.514 1.000 0.556 O 1.477 S: 31 10.570 1.774 0.545 0.267 0.833 0.500 CB 1.101 T: 9 10.907 1.916 0.692 0.829 1.000 0.875 CB 0.895 U: 14 14.894 1.912 0.786 0.586 0.923 0.692 CB 1.207 V: 9 14.417 1.883 0.703 0.852 1.000 0.750 CB 1.176 9 residues pruned to eliminate duplicates W: 16 20.227 1.951 0.435 0.904 1.000 0.867 CB 1.329 17 residues pruned to eliminate duplicates X: 36 21.753 2.102 0.582 0.384 0.886 0.686 CB 1.411 Y: 9 7.057 1.794 0.365 0.471 0.875 0.500 CB 1.199 9 residues pruned to eliminate duplicates Z: 11 19.430 1.975 0.739 0.688 1.000 0.600 CB 1.506 11 residues pruned to eliminate duplicates Z: 18 18.431 1.916 0.524 0.809 0.824 0.471 CB 1.421 18 residues pruned to eliminate duplicates Z: 39 21.815 2.081 0.570 0.359 0.895 0.658 CB 1.410 36 residues pruned to eliminate duplicates Z: 20 24.270 1.979 0.632 0.876 1.000 0.737 CA 1.253 6 residues pruned to eliminate duplicates Z: 17 6.936 1.706 0.404 0.329 0.750 0.250 CB 1.164 Z: 19 27.240 1.908 0.897 0.860 1.000 0.389 CB 1.304 19 residues pruned to eliminate duplicates Z: 8 13.200 1.989 0.492 0.866 1.000 1.000 CB 1.231 8 residues pruned to eliminate duplicates Z: 22 18.917 1.943 0.657 0.673 0.905 0.714 CB 1.207 Z: 16 26.757 2.091 0.745 0.669 0.933 0.600 CB 1.735 16 residues pruned to eliminate duplicates Z: 8 5.563 1.640 0.299 0.482 0.857 0.714 CB 1.172 Z: 26 24.041 1.963 0.611 0.698 0.920 0.680 CB 1.379 26 residues pruned to eliminate duplicates Z: 56 25.074 1.934 0.480 0.604 0.891 0.618 CB 1.201 20 residues pruned to eliminate duplicates Z: 10 4.986 1.758 0.323 0.186 0.778 0.333 N 1.340 10 residues pruned to eliminate duplicates Z: 34 24.627 1.977 0.518 0.710 1.000 0.848 CB 1.180 35 residues pruned to eliminate duplicates Z: 6 4.840 1.621 -0.007 0.790 1.000 0.600 CA 1.043 Z: 16 13.611 1.930 0.375 0.456 1.000 0.333 CB 1.385 15 residues pruned to eliminate duplicates Z: 7 5.570 1.762 0.240 0.678 0.833 0.833 CB 1.060 Z: 16 23.980 2.018 0.587 0.880 0.933 0.733 CA 1.502 16 residues pruned to eliminate duplicates Z: 8 10.603 1.723 0.195 0.889 1.000 1.000 CA 1.400 Z: 17 10.674 1.875 0.360 0.594 0.875 0.562 CB 1.093 Z: 17 22.491 1.870 0.662 0.881 1.000 0.812 CB 1.310 Z: 12 8.897 1.790 0.395 0.471 0.909 0.364 N 1.216 Z: 12 18.535 1.922 0.734 0.715 0.909 0.727 CB 1.518 12 residues pruned to eliminate duplicates Z: 18 21.404 1.849 0.642 0.902 0.882 0.706 CB 1.383 17 residues pruned to eliminate duplicates Z: 39 28.138 1.943 0.766 0.625 0.921 0.658 CB 1.284 40 residues pruned to eliminate duplicates Z: 11 12.262 1.662 0.581 0.882 0.900 0.900 CA 1.186 Z: 20 20.505 1.943 0.440 0.896 1.000 0.789 CA 1.204 20 residues pruned to eliminate duplicates Z: 15 7.717 1.752 0.289 0.431 0.857 0.571 CB 1.145 8 residues pruned to eliminate duplicates Z: 17 18.036 1.889 0.556 0.807 0.938 0.812 CB 1.252 17 residues pruned to eliminate duplicates Z: 13 12.691 1.893 0.500 0.477 0.917 0.583 CB 1.441 13 residues pruned to eliminate duplicates Z: 11 16.300 1.878 0.582 0.651 0.900 0.700 CA 1.675 11 residues pruned to eliminate duplicates Z: 27 19.709 1.991 0.583 0.497 0.885 0.654 CA 1.392 27 residues pruned to eliminate duplicates Z: 15 24.312 1.906 0.899 0.915 0.929 0.643 CB 1.367 15 residues pruned to eliminate duplicates Z: 17 22.210 1.988 0.522 0.887 1.000 0.688 CA 1.323 17 residues pruned to eliminate duplicates Z: 50 22.286 1.972 0.684 0.325 0.857 0.510 CB 1.356 39 residues pruned to eliminate duplicates Z: 16 15.075 1.836 0.575 0.626 0.933 0.667 CA 1.280 7 residues pruned to eliminate duplicates Z: 10 6.079 1.721 0.489 0.472 0.889 0.556 CB 0.915 Z: 16 17.612 1.923 0.380 0.906 0.933 0.933 CB 1.306 16 residues pruned to eliminate duplicates Z: 37 15.189 1.758 0.486 0.448 0.944 0.528 CB 1.082 Z: 11 11.693 1.874 0.932 0.794 0.700 0.500 CB 1.128 11 residues pruned to eliminate duplicates Z: 49 17.645 1.783 0.329 0.532 0.896 0.646 CB 1.162 29 residues pruned to eliminate duplicates Z: 15 21.360 1.887 0.442 0.926 1.000 0.929 CA 1.471 15 residues pruned to eliminate duplicates Z: 20 14.533 1.814 0.341 0.640 0.947 0.789 CA 1.270 13 residues pruned to eliminate duplicates Z: 16 18.634 1.859 0.808 0.916 0.867 0.867 CB 1.167 14 residues pruned to eliminate duplicates Z: 9 15.143 1.992 0.525 0.624 1.000 0.625 N 1.568 9 residues pruned to eliminate duplicates Z: 13 13.475 1.750 0.525 0.906 1.000 0.833 CB 1.037 Z: 9 10.689 1.857 0.578 0.825 0.875 0.750 CB 1.112 9 residues pruned to eliminate duplicates Z: 16 23.625 1.904 0.597 0.918 1.000 0.867 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 20.887 1.849 0.580 0.930 0.933 0.867 CB 1.383 16 residues pruned to eliminate duplicates Z: 6 3.451 1.532 0.724 0.396 0.600 0.400 N 1.087 Z: 40 17.267 1.849 0.466 0.367 0.872 0.513 CB 1.350 30 residues pruned to eliminate duplicates Z: 19 29.181 1.935 0.823 0.870 1.000 0.722 CB 1.423 18 residues pruned to eliminate duplicates Z: 14 14.449 2.000 0.593 0.387 0.846 0.308 N 1.675 14 residues pruned to eliminate duplicates Z: 9 10.781 1.694 0.478 0.885 1.000 0.875 CA 1.099 8 residues pruned to eliminate duplicates Z: 14 25.720 1.931 0.749 0.923 1.000 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 44 24.404 1.882 0.574 0.466 0.884 0.605 CB 1.471 44 residues pruned to eliminate duplicates Z: 27 18.422 1.992 0.546 0.503 0.808 0.462 CB 1.449 27 residues pruned to eliminate duplicates Z: 17 19.822 1.901 0.596 0.821 0.875 0.625 CB 1.413 17 residues pruned to eliminate duplicates Z: 11 13.832 1.614 0.619 0.894 1.000 1.000 CA 1.201 11 residues pruned to eliminate duplicates Z: 8 8.615 1.857 0.327 0.913 1.000 0.857 CB 0.935 8 residues pruned to eliminate duplicates Z: 7 5.619 1.563 0.492 0.713 0.833 0.833 CB 0.974 7 residues pruned to eliminate duplicates Z: 17 18.733 1.951 0.305 0.865 0.938 0.875 CA 1.437 17 residues pruned to eliminate duplicates Z: 13 18.299 1.938 0.715 0.867 0.917 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 16 24.090 1.991 1.074 0.930 1.000 0.867 CB 1.054 17 residues pruned to eliminate duplicates Z: 15 14.468 2.000 0.520 0.407 1.000 0.714 CB 1.402 15 residues pruned to eliminate duplicates Z: 13 19.046 1.899 0.757 0.627 1.000 0.667 CB 1.462 15 residues pruned to eliminate duplicates Z: 18 17.397 1.832 0.402 0.878 0.941 0.824 CA 1.267 18 residues pruned to eliminate duplicates Z: 14 17.799 1.962 0.574 0.622 0.923 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 27 20.623 1.833 0.868 0.726 0.885 0.538 CB 1.089 25 residues pruned to eliminate duplicates Z: 10 8.263 1.812 0.549 0.411 0.778 0.556 CA 1.384 10 residues pruned to eliminate duplicates Z: 7 9.315 1.812 0.300 0.596 1.000 0.667 CB 1.472 Z: 11 4.986 1.750 0.145 0.323 0.800 0.700 CB 1.194 11 residues pruned to eliminate duplicates Z: 6 3.875 1.797 0.051 0.286 0.800 0.200 N 1.458 Z: 14 7.578 1.865 0.251 0.513 0.692 0.538 CB 1.285 Z: 13 13.173 1.734 0.846 0.613 0.750 0.667 CB 1.423 Z: 18 19.815 1.776 0.436 0.888 1.000 0.882 CA 1.358 18 residues pruned to eliminate duplicates Z: 39 28.720 1.967 0.681 0.658 0.921 0.632 CB 1.321 39 residues pruned to eliminate duplicates Z: 16 25.987 1.886 0.757 0.907 0.933 0.733 CB 1.542 16 residues pruned to eliminate duplicates Z: 33 19.282 2.111 0.577 0.322 0.906 0.688 CB 1.374 33 residues pruned to eliminate duplicates Z: 19 26.699 1.996 0.701 0.876 1.000 0.778 CA 1.347 19 residues pruned to eliminate duplicates Z: 40 26.369 2.000 0.578 0.590 0.949 0.564 CB 1.294 40 residues pruned to eliminate duplicates Z: 26 25.797 1.945 0.845 0.687 0.880 0.800 CB 1.375 26 residues pruned to eliminate duplicates Z: 8 6.047 1.747 0.333 0.598 0.857 0.429 N 1.043 Z: 13 17.697 1.822 0.707 0.822 0.917 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 38 26.374 2.008 0.658 0.569 0.892 0.568 CB 1.366 38 residues pruned to eliminate duplicates Z: 13 13.162 1.855 0.640 0.531 0.917 0.667 CB 1.321 11 residues pruned to eliminate duplicates Z: 12 12.760 1.901 0.551 0.557 0.909 0.636 CB 1.358 11 residues pruned to eliminate duplicates Z: 19 23.995 1.919 0.791 0.847 1.000 0.667 CA 1.221 19 residues pruned to eliminate duplicates Z: 19 27.514 1.977 0.979 0.871 0.944 0.500 CA 1.280 19 residues pruned to eliminate duplicates Z: 10 6.686 1.662 0.321 0.418 0.889 0.556 CB 1.244 Z: 7 9.456 1.804 0.525 0.708 1.000 0.500 CB 1.162 Z: 27 24.621 1.949 0.803 0.663 0.885 0.654 CB 1.335 27 residues pruned to eliminate duplicates Z: 8 7.656 2.019 0.061 0.636 1.000 0.571 CB 1.190 Z: 21 14.300 1.740 0.567 0.575 0.850 0.650 CB 1.283 Z: 20 22.134 1.965 0.705 0.810 0.947 0.842 CA 1.222 20 residues pruned to eliminate duplicates Z: 23 21.910 1.960 0.478 0.727 0.909 0.682 CA 1.445 18 residues pruned to eliminate duplicates Z: 30 15.372 1.860 0.315 0.518 0.931 0.724 CA 1.231 30 residues pruned to eliminate duplicates Z: 8 9.858 1.706 0.849 0.632 1.000 0.429 N 1.044 8 residues pruned to eliminate duplicates Z: 10 4.056 1.747 0.351 0.289 0.778 0.333 CB 0.933 10 residues pruned to eliminate duplicates Z: 19 20.692 1.897 0.751 0.868 0.889 0.444 CA 1.208 19 residues pruned to eliminate duplicates Z: 17 7.808 1.625 0.278 0.675 0.875 0.625 CB 0.914 Z: 12 14.937 1.817 0.729 0.702 0.818 0.818 CB 1.457 13 residues pruned to eliminate duplicates Z: 6 3.174 1.507 0.369 0.303 0.800 0.400 CB 1.071 Z: 38 23.598 2.046 0.629 0.373 0.892 0.595 CB 1.495 46 residues pruned to eliminate duplicates Z: 22 20.929 1.883 0.600 0.688 1.000 0.762 CB 1.277 22 residues pruned to eliminate duplicates Z: 17 20.146 2.014 0.657 0.870 0.938 0.875 CB 1.175 17 residues pruned to eliminate duplicates Z: 15 16.645 1.957 0.579 0.903 1.000 0.714 CB 1.026 15 residues pruned to eliminate duplicates Z: 19 19.004 1.963 0.492 0.580 0.889 0.611 CA 1.593 19 residues pruned to eliminate duplicates Z: 14 21.361 1.854 0.839 0.913 0.923 0.692 CB 1.332 14 residues pruned to eliminate duplicates Z: 11 11.262 1.523 0.508 0.820 1.000 0.700 CA 1.174 Z: 14 13.458 1.748 0.369 0.681 1.000 0.769 CA 1.321 14 residues pruned to eliminate duplicates Z: 6 2.377 1.585 0.572 0.431 0.800 0.400 N 0.573 6 residues pruned to eliminate duplicates Z: 29 14.722 1.944 0.481 0.319 0.929 0.464 CB 1.272 29 residues pruned to eliminate duplicates Z: 16 12.595 1.871 0.645 0.509 0.733 0.267 CB 1.428 16 residues pruned to eliminate duplicates Z: 9 11.818 1.610 0.365 0.874 1.000 0.875 CA 1.384 Z: 14 18.403 1.953 0.636 0.898 1.000 0.846 CB 1.143 14 residues pruned to eliminate duplicates Z: 8 2.282 1.484 0.592 0.295 0.571 0.429 CB 0.803 Z: 9 5.186 1.671 0.253 0.386 0.750 0.375 CB 1.317 Z: 9 8.104 1.643 0.172 0.816 1.000 0.875 CB 1.130 9 residues pruned to eliminate duplicates Z: 7 8.478 1.505 0.731 0.744 1.000 0.500 CB 1.068 7 residues pruned to eliminate duplicates Z: 17 22.579 2.016 0.649 0.879 1.000 0.938 CB 1.232 17 residues pruned to eliminate duplicates Z: 6 2.202 1.406 0.037 0.407 1.000 0.600 N 0.744 Z: 9 7.292 1.471 0.567 0.540 1.000 0.625 CA 1.076 Z: 13 17.961 2.014 0.865 0.903 0.833 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 13 19.135 1.921 0.530 0.899 1.000 0.833 CA 1.344 14 residues pruned to eliminate duplicates Z: 25 13.735 1.892 0.508 0.374 0.875 0.583 CB 1.284 25 residues pruned to eliminate duplicates Z: 8 8.078 1.661 0.509 0.428 1.000 0.714 CB 1.313 7 residues pruned to eliminate duplicates Z: 26 15.972 1.845 0.711 0.378 0.800 0.360 CB 1.441 26 residues pruned to eliminate duplicates Z: 6 4.468 1.646 -0.190 0.584 1.000 1.000 CA 1.382 Z: 17 20.194 1.886 0.486 0.876 1.000 0.812 CB 1.309 16 residues pruned to eliminate duplicates Z: 39 20.028 2.072 0.460 0.347 0.921 0.711 CB 1.378 39 residues pruned to eliminate duplicates Z: 20 26.871 1.925 0.782 0.855 1.000 0.684 CA 1.326 20 residues pruned to eliminate duplicates Z: 19 15.360 1.806 0.359 0.875 1.000 0.889 CA 1.073 19 residues pruned to eliminate duplicates Z: 18 21.730 1.931 0.451 0.888 0.941 0.765 CA 1.440 18 residues pruned to eliminate duplicates Z: 15 24.119 1.894 0.675 0.908 1.000 0.857 CB 1.444 15 residues pruned to eliminate duplicates Z: 20 17.173 1.744 0.561 0.857 0.947 0.789 CA 1.126 20 residues pruned to eliminate duplicates Z: 23 18.122 1.844 0.858 0.472 0.864 0.591 CB 1.343 22 residues pruned to eliminate duplicates Z: 10 10.558 1.444 0.635 0.851 1.000 0.889 CB 1.103 Z: 24 19.555 1.679 0.440 0.846 1.000 0.870 CA 1.253 24 residues pruned to eliminate duplicates Z: 10 11.943 1.645 0.536 0.750 1.000 0.444 CA 1.260 10 residues pruned to eliminate duplicates Z: 7 6.933 1.739 0.066 0.777 1.000 0.833 CB 1.196 7 residues pruned to eliminate duplicates Z: 19 13.548 1.775 0.638 0.522 0.889 0.556 CB 1.209 14 residues pruned to eliminate duplicates Z: 13 9.417 1.681 0.482 0.554 0.833 0.417 CB 1.243 8 residues pruned to eliminate duplicates Z: 12 13.722 1.854 0.417 0.894 1.000 1.000 CB 1.130 12 residues pruned to eliminate duplicates Z: 13 18.280 1.885 0.760 0.687 0.917 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 16 22.933 1.968 0.598 0.848 0.933 0.533 CB 1.496 16 residues pruned to eliminate duplicates Z: 15 18.258 1.812 0.413 0.918 1.000 0.714 CA 1.344 15 residues pruned to eliminate duplicates Z: 18 32.551 1.986 1.025 0.921 0.941 0.588 CB 1.467 18 residues pruned to eliminate duplicates Z: 10 7.311 1.395 0.547 0.785 1.000 0.556 CB 0.879 9 residues pruned to eliminate duplicates Z: 10 14.753 1.719 0.814 0.859 1.000 0.889 CA 1.161 16 residues pruned to eliminate duplicates Z: 7 4.447 1.917 -0.039 0.722 1.000 0.667 CB 0.807 8 residues pruned to eliminate duplicates Z: 9 4.206 1.612 0.243 0.386 0.875 0.625 CA 0.957 8 residues pruned to eliminate duplicates Z: 19 15.454 1.763 0.584 0.630 0.889 0.778 CB 1.299 19 residues pruned to eliminate duplicates Z: 6 3.060 1.379 0.633 0.334 0.800 0.600 N 0.910 Z: 16 11.501 1.738 0.584 0.503 0.800 0.533 CB 1.345 9 residues pruned to eliminate duplicates Z: 22 14.851 1.776 0.811 0.402 0.905 0.381 CB 1.235 19 residues pruned to eliminate duplicates Z: 12 21.287 2.017 0.726 0.913 1.000 0.818 CB 1.305 12 residues pruned to eliminate duplicates Z: 37 16.178 1.757 0.501 0.444 0.889 0.722 CB 1.219 33 residues pruned to eliminate duplicates Z: 18 17.082 1.788 0.505 0.875 0.882 0.824 CA 1.269 18 residues pruned to eliminate duplicates Z: 23 7.891 1.630 0.430 0.369 0.773 0.545 CB 1.075 21 residues pruned to eliminate duplicates Z: 6 3.836 1.638 0.364 0.429 0.800 0.400 CB 1.034 Z: 15 22.287 1.809 0.717 0.931 1.000 0.857 CA 1.341 Z: 22 18.270 1.987 0.687 0.382 0.952 0.619 CB 1.416 24 residues pruned to eliminate duplicates Z: 12 14.502 1.750 0.708 0.735 0.818 0.818 CA 1.448 12 residues pruned to eliminate duplicates Z: 9 14.360 1.633 0.979 0.895 1.000 0.750 CA 1.126 9 residues pruned to eliminate duplicates Z: 6 2.650 1.621 0.283 0.294 0.600 0.600 CB 1.196 Z: 6 5.669 1.534 0.204 0.862 1.000 0.800 CA 1.008 6 residues pruned to eliminate duplicates Z: 6 4.646 1.376 0.843 0.844 1.000 0.600 CB 0.609 Z: 27 24.155 1.992 0.593 0.567 0.885 0.577 CA 1.582 27 residues pruned to eliminate duplicates Z: 34 16.971 2.035 0.569 0.338 0.818 0.545 CB 1.349 34 residues pruned to eliminate duplicates Z: 22 11.883 1.775 0.549 0.526 0.714 0.571 CB 1.287 22 residues pruned to eliminate duplicates Z: 9 2.354 1.524 0.125 0.279 0.750 0.375 O 0.831 Z: 7 4.718 1.592 0.298 0.572 0.667 0.667 CA 1.305 Z: 12 9.191 1.857 0.394 0.511 0.818 0.636 CB 1.294 12 residues pruned to eliminate duplicates Z: 41 32.589 1.971 0.860 0.591 0.875 0.700 CB 1.472 44 residues pruned to eliminate duplicates Z: 12 7.124 1.601 0.488 0.453 0.818 0.455 CB 1.156 6 1.428 1.463 0.113 0.327 0.600 0.600 CB 0.790 ? Z: 9 14.844 1.658 0.664 0.840 1.000 0.875 CA 1.419 9 residues pruned to eliminate duplicates Z: 17 10.816 1.869 0.540 0.413 0.875 0.562 CB 1.176 17 residues pruned to eliminate duplicates Z: 31 19.078 1.856 0.605 0.475 0.900 0.600 CB 1.334 26 residues pruned to eliminate duplicates Z: 12 8.036 1.569 1.070 0.391 0.727 0.364 CB 1.151 Z: 6 3.791 1.608 1.050 0.481 0.800 0.600 CB 0.655 Z: 15 20.138 1.847 0.612 0.921 0.929 0.857 CB 1.370 15 residues pruned to eliminate duplicates Z: 9 7.004 1.652 0.070 0.849 0.875 0.750 CA 1.187 9 residues pruned to eliminate duplicates Z: 7 5.804 1.713 0.233 0.421 1.000 0.500 N 1.218 7 residues pruned to eliminate duplicates Z: 6 8.105 1.662 0.427 0.652 1.000 0.800 O 1.327 Z: 9 13.431 1.708 0.762 0.886 1.000 0.750 CB 1.138 9 residues pruned to eliminate duplicates Z: 18 12.439 1.883 0.428 0.466 0.941 0.647 CB 1.234 18 residues pruned to eliminate duplicates Z: 11 12.175 1.583 0.718 0.790 1.000 0.800 CA 1.098 11 residues pruned to eliminate duplicates Z: 9 11.807 1.715 0.884 0.633 0.875 0.875 N 1.304 Z: 13 15.067 1.750 0.652 0.933 1.000 0.750 CB 1.050 13 residues pruned to eliminate duplicates Z: 17 17.974 1.991 0.376 0.869 0.812 0.562 CB 1.475 17 residues pruned to eliminate duplicates Z: 24 13.344 1.744 0.594 0.533 0.870 0.652 CB 1.115 22 residues pruned to eliminate duplicates Z: 17 17.924 1.989 0.539 0.819 1.000 0.625 CB 1.110 17 residues pruned to eliminate duplicates Z: 20 20.017 1.734 0.672 0.897 0.947 0.737 CB 1.196 31 residues pruned to eliminate duplicates Z: 6 3.554 1.579 0.075 0.562 0.800 0.600 CA 1.102 6 residues pruned to eliminate duplicates Z: 14 20.711 1.781 0.946 0.849 0.923 0.615 CB 1.331 14 residues pruned to eliminate duplicates Z: 8 14.359 1.821 0.703 0.801 1.000 0.857 CA 1.345 8 residues pruned to eliminate duplicates Z: 11 13.052 1.980 0.253 0.914 1.000 1.000 CB 1.176 11 residues pruned to eliminate duplicates Z: 17 13.798 1.655 0.742 0.580 0.875 0.562 CB 1.266 15 residues pruned to eliminate duplicates Z: 13 10.562 1.687 0.644 0.875 0.917 0.667 CB 0.872 13 residues pruned to eliminate duplicates Z: 11 10.584 1.379 0.693 0.871 1.000 1.000 CA 1.046 11 residues pruned to eliminate duplicates Z: 18 12.266 1.744 0.733 0.432 0.882 0.471 CB 1.197 18 residues pruned to eliminate duplicates Z: 9 7.180 1.845 0.015 0.751 1.000 0.625 CB 1.083 9 residues pruned to eliminate duplicates Z: 11 13.371 1.894 0.756 0.466 0.800 0.500 N 1.644 11 residues pruned to eliminate duplicates Z: 15 24.901 1.827 0.895 0.912 1.000 0.857 CA 1.362 15 residues pruned to eliminate duplicates Z: 15 13.944 1.674 0.778 0.568 0.929 0.571 CA 1.262 15 residues pruned to eliminate duplicates Z: 9 8.994 1.745 0.729 0.719 0.875 0.875 CB 0.988 9 residues pruned to eliminate duplicates Z: 17 10.841 1.768 0.395 0.465 0.875 0.438 CB 1.301 17 residues pruned to eliminate duplicates Z: 12 12.310 1.738 0.925 0.563 0.909 0.727 CB 1.149 12 residues pruned to eliminate duplicates Z: 10 11.527 1.578 0.761 0.845 0.889 0.778 CB 1.156 10 residues pruned to eliminate duplicates Z: 12 10.832 1.426 0.632 0.851 1.000 0.818 N 1.039 12 residues pruned to eliminate duplicates Z: 60 26.545 1.975 0.531 0.419 0.898 0.610 CB 1.385 60 residues pruned to eliminate duplicates Z: 32 20.672 2.086 0.625 0.341 0.871 0.613 CB 1.494 32 residues pruned to eliminate duplicates Z: 57 22.948 2.020 0.612 0.380 0.804 0.554 CB 1.332 57 residues pruned to eliminate duplicates Z: 13 19.309 1.816 0.886 0.830 0.917 0.667 CB 1.335 13 residues pruned to eliminate duplicates Z: 6 4.973 1.591 0.413 0.438 1.000 0.600 CB 1.054 Z: 25 13.868 1.985 0.354 0.282 0.875 0.583 CA 1.540 25 residues pruned to eliminate duplicates Z: 13 9.625 1.948 0.278 0.522 0.917 0.500 CB 1.191 Z: 6 8.711 1.733 0.366 0.686 1.000 0.800 CA 1.387 Z: 10 4.572 1.543 0.307 0.289 0.889 0.667 CB 1.077 Z: 8 7.106 1.427 0.419 0.847 0.857 0.571 CA 1.149 8 residues pruned to eliminate duplicates Z: 13 15.811 1.821 0.705 0.685 0.917 0.750 CB 1.353 13 residues pruned to eliminate duplicates Z: 6 2.325 1.489 0.335 0.515 0.800 0.800 CB 0.644 Z: 6 3.290 1.713 0.279 0.382 0.800 0.600 CB 0.952 Z: 8 2.184 1.527 0.403 0.370 0.714 0.429 CB 0.620 Z: 7 9.529 1.623 0.494 0.845 1.000 0.667 CA 1.193 7 residues pruned to eliminate duplicates Z: 17 14.160 1.875 0.421 0.535 0.875 0.562 CA 1.467 17 residues pruned to eliminate duplicates Z: 12 14.342 1.739 0.959 0.831 0.909 0.455 CB 1.048 11 residues pruned to eliminate duplicates Z: 8 6.826 1.925 -0.112 0.830 1.000 0.714 CB 1.135 Z: 32 20.468 2.084 0.433 0.401 0.935 0.774 CB 1.461 32 residues pruned to eliminate duplicates Z: 19 15.460 1.843 0.692 0.495 0.944 0.500 CB 1.244 38 residues pruned to eliminate duplicates Z: 7 4.239 1.397 0.551 0.688 1.000 0.833 CA 0.672 7 residues pruned to eliminate duplicates Z: 7 2.586 1.780 0.209 0.428 0.667 0.500 CB 0.793 7 residues pruned to eliminate duplicates Z: 14 20.751 1.844 0.693 0.895 0.923 0.846 CA 1.431 14 residues pruned to eliminate duplicates Z: 14 23.131 1.839 0.941 0.885 0.923 0.769 CB 1.406 14 residues pruned to eliminate duplicates Z: 17 10.464 1.748 0.498 0.450 0.812 0.562 CB 1.295 21 residues pruned to eliminate duplicates Z: 13 11.425 1.963 0.432 0.481 0.833 0.833 CA 1.434 13 residues pruned to eliminate duplicates Z: 9 7.425 1.569 0.612 0.532 0.750 0.625 O 1.340 Z: 30 11.408 1.726 0.403 0.411 0.828 0.379 CB 1.160 43 residues pruned to eliminate duplicates Z: 6 6.065 1.741 0.199 0.701 1.000 0.600 CB 1.081 Z: 10 12.190 1.758 0.434 0.896 1.000 0.889 CB 1.155 10 residues pruned to eliminate duplicates Z: 16 24.401 2.014 0.879 0.928 1.000 1.000 CB 1.166 16 residues pruned to eliminate duplicates Z: 23 16.512 1.823 0.772 0.450 0.864 0.636 CB 1.329 20 residues pruned to eliminate duplicates Z: 9 13.997 1.710 1.023 0.856 0.875 0.500 CA 1.206 9 residues pruned to eliminate duplicates Z: 29 14.880 1.719 0.512 0.623 0.857 0.571 CB 1.124 16 residues pruned to eliminate duplicates Z: 40 28.095 1.960 0.695 0.606 0.897 0.487 CB 1.364 40 residues pruned to eliminate duplicates Z: 6 5.693 1.603 0.467 0.570 1.000 0.800 CB 1.012 6 residues pruned to eliminate duplicates Z: 32 24.657 1.990 0.562 0.719 0.968 0.871 CB 1.208 32 residues pruned to eliminate duplicates Z: 7 6.114 1.670 0.205 0.704 0.833 0.667 N 1.236 7 residues pruned to eliminate duplicates Z: 17 18.203 1.790 0.853 0.864 0.875 0.375 CB 1.149 17 residues pruned to eliminate duplicates Z: 18 16.734 1.920 0.343 0.657 0.941 0.824 CA 1.445 18 residues pruned to eliminate duplicates Z: 15 11.362 1.658 0.540 0.416 0.929 0.571 CB 1.399 14 residues pruned to eliminate duplicates Z: 14 25.189 1.836 0.885 0.909 1.000 0.923 CA 1.432 14 residues pruned to eliminate duplicates Z: 14 14.605 1.764 0.584 0.887 0.923 0.692 CB 1.133 14 residues pruned to eliminate duplicates Z: 15 12.967 1.981 0.590 0.472 0.857 0.714 CB 1.320 15 residues pruned to eliminate duplicates Z: 32 30.923 1.965 0.781 0.661 0.968 0.710 CB 1.412 27 residues pruned to eliminate duplicates Z: 19 19.511 1.741 0.943 0.892 0.944 0.500 CB 1.034 19 residues pruned to eliminate duplicates Z: 17 19.185 2.028 0.455 0.852 1.000 0.875 CB 1.203 17 residues pruned to eliminate duplicates Z: 14 20.044 1.957 0.606 0.918 1.000 0.692 CB 1.247 14 residues pruned to eliminate duplicates Z: 9 11.887 1.629 0.894 0.749 1.000 0.750 CB 1.091 Z: 23 13.163 1.724 0.434 0.572 0.864 0.591 CB 1.226 23 residues pruned to eliminate duplicates Z: 12 13.118 1.922 0.366 0.552 1.000 0.455 CB 1.432 12 residues pruned to eliminate duplicates Z: 67 41.811 1.964 0.799 0.593 0.924 0.500 CB 1.442 71 residues pruned to eliminate duplicates Z: 14 21.906 1.841 0.817 0.909 0.923 0.462 CA 1.396 14 residues pruned to eliminate duplicates Z: 13 15.808 1.978 0.799 0.855 0.833 0.750 CB 1.135 13 residues pruned to eliminate duplicates Z: 18 11.908 1.677 0.636 0.569 0.824 0.588 CB 1.196 20 residues pruned to eliminate duplicates Z: 6 2.435 1.282 0.444 0.393 0.800 0.400 N 0.824 Z: 9 11.458 1.706 0.369 0.883 1.000 0.875 CB 1.254 9 residues pruned to eliminate duplicates Z: 11 14.429 1.978 0.601 0.603 0.800 0.500 CA 1.632 Z: 68 40.068 1.968 0.691 0.580 0.910 0.657 CB 1.496 68 residues pruned to eliminate duplicates Z: 6 3.365 1.458 0.048 0.518 0.800 0.400 N 1.209 6 residues pruned to eliminate duplicates Z: 8 4.384 1.523 0.798 0.475 0.857 0.714 CB 0.724 Z: 15 20.094 1.884 0.570 0.907 1.000 0.786 CB 1.291 15 residues pruned to eliminate duplicates Z: 19 16.153 1.825 0.394 0.838 0.889 0.722 CA 1.258 19 residues pruned to eliminate duplicates Z: 11 14.501 1.876 0.757 0.587 1.000 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 10 14.171 1.869 0.609 0.805 1.000 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 6 3.509 1.545 0.100 0.791 1.000 0.800 N 0.715 6 residues pruned to eliminate duplicates Z: 7 4.276 1.655 0.238 0.760 1.000 0.500 CB 0.676 7 residues pruned to eliminate duplicates Z: 19 23.173 1.832 0.729 0.886 1.000 0.667 CB 1.244 19 residues pruned to eliminate duplicates Z: 10 13.814 1.809 0.555 0.766 1.000 0.667 CB 1.292 10 residues pruned to eliminate duplicates Z: 14 18.201 1.764 0.851 0.881 0.923 0.692 CA 1.213 14 residues pruned to eliminate duplicates Z: 6 5.969 1.338 0.873 0.751 0.800 0.600 C 1.064 Z: 12 7.389 1.613 0.525 0.582 0.818 0.545 N 1.023 Z: 7 5.302 1.692 0.566 0.493 0.833 0.500 CB 0.987 Z: 6 3.207 1.715 0.384 0.426 0.600 0.400 CB 1.088 6 residues pruned to eliminate duplicates Z: 6 2.137 1.877 -0.209 0.254 0.800 0.400 CB 1.066 Z: 20 26.278 1.910 0.918 0.832 1.000 0.632 CA 1.235 20 residues pruned to eliminate duplicates Z: 17 18.117 1.912 0.520 0.825 0.812 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 10 11.400 1.710 0.737 0.735 0.889 0.889 CB 1.165 10 residues pruned to eliminate duplicates Z: 24 19.396 1.744 0.689 0.727 0.870 0.522 CB 1.286 24 residues pruned to eliminate duplicates Z: 8 5.935 1.663 0.450 0.685 0.857 0.571 CB 0.915 Z: 7 2.918 1.438 0.010 0.458 0.833 0.833 C 1.027 Z: 15 10.289 1.478 0.794 0.415 1.000 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 16 19.454 1.949 0.578 0.846 1.000 0.800 CB 1.213 16 residues pruned to eliminate duplicates Z: 7 10.235 1.683 0.692 0.816 1.000 0.833 N 1.115 7 residues pruned to eliminate duplicates Z: 26 12.316 1.904 0.473 0.366 0.840 0.720 CB 1.207 26 residues pruned to eliminate duplicates Z: 14 14.354 1.822 0.851 0.458 0.846 0.692 CA 1.455 14 residues pruned to eliminate duplicates Z: 7 10.748 1.819 0.972 0.572 0.833 0.500 CA 1.370 7 residues pruned to eliminate duplicates Z: 34 26.150 1.965 0.661 0.695 0.970 0.727 CB 1.204 34 residues pruned to eliminate duplicates Z: 24 18.450 1.919 0.292 0.746 0.913 0.609 CB 1.364 24 residues pruned to eliminate duplicates Z: 20 17.691 1.893 0.585 0.837 0.895 0.579 CA 1.131 20 residues pruned to eliminate duplicates 7 0.432 0.915 0.537 0.251 0.667 0.333 N 0.250 ? Z: 9 6.470 1.778 0.450 0.445 0.875 0.375 CB 1.073 Z: 6 3.620 1.630 0.315 0.374 0.800 0.400 C 1.080 Z: 25 12.440 1.752 0.633 0.437 0.792 0.542 CB 1.196 16 residues pruned to eliminate duplicates Z: 9 5.119 1.592 0.357 0.487 0.750 0.750 CA 1.132 9 residues pruned to eliminate duplicates Z: 15 19.028 1.803 0.499 0.894 1.000 0.857 CA 1.350 15 residues pruned to eliminate duplicates Z: 20 16.094 1.872 0.412 0.821 0.947 0.789 CA 1.116 20 residues pruned to eliminate duplicates Z: 18 21.201 1.754 0.923 0.894 0.882 0.412 CB 1.240 18 residues pruned to eliminate duplicates Z: 9 6.175 1.771 0.152 0.522 1.000 0.500 CB 1.047 9 residues pruned to eliminate duplicates Z: 17 8.839 1.778 0.362 0.317 0.875 0.625 CB 1.276 13 residues pruned to eliminate duplicates Z: 10 7.783 1.681 0.352 0.596 1.000 0.667 CB 1.042 Z: 14 6.337 1.832 0.356 0.381 0.846 0.692 CB 0.949 14 residues pruned to eliminate duplicates Z: 11 7.463 1.577 0.564 0.490 0.900 0.500 CB 1.075 11 residues pruned to eliminate duplicates Z: 6 2.599 1.601 0.239 0.100 0.800 0.800 CB 1.220 6 residues pruned to eliminate duplicates Z: 7 4.947 2.028 0.159 0.317 0.833 0.667 CB 1.262 7 residues pruned to eliminate duplicates Z: 17 15.224 1.999 0.593 0.440 0.938 0.812 CB 1.356 17 residues pruned to eliminate duplicates Z: 9 9.296 1.845 0.107 0.664 1.000 0.625 CB 1.382 9 residues pruned to eliminate duplicates Z: 8 9.212 1.641 0.382 0.869 1.000 1.000 CA 1.122 8 residues pruned to eliminate duplicates Z: 8 14.106 1.761 0.826 0.850 1.000 0.714 CA 1.229 8 residues pruned to eliminate duplicates Z: 21 14.751 1.712 0.626 0.843 0.750 0.550 CA 1.176 21 residues pruned to eliminate duplicates Z: 8 3.701 1.560 0.088 0.881 1.000 0.857 CB 0.597 Z: 11 2.595 1.617 0.282 0.198 0.700 0.500 CB 0.811 Z: 10 9.611 1.447 0.415 0.843 1.000 0.778 O 1.165 10 residues pruned to eliminate duplicates Z: 8 3.454 1.731 1.146 0.346 0.714 0.571 CB 0.582 Z: 6 3.746 1.794 -0.168 0.853 1.000 1.000 CB 0.829 Z: 6 3.153 1.493 0.289 0.475 0.800 0.600 CB 0.939 Z: 7 8.196 1.678 0.269 0.643 1.000 0.667 CB 1.374 Z: 7 2.827 1.687 -0.137 0.455 0.833 0.667 CB 0.996 Z: 19 7.885 1.637 0.365 0.433 0.889 0.611 CB 1.003 19 residues pruned to eliminate duplicates Z: 20 22.234 1.794 0.637 0.857 1.000 0.789 CA 1.280 20 residues pruned to eliminate duplicates Z: 11 5.359 1.736 0.425 0.388 0.900 0.400 CB 0.857 Z: 14 21.052 1.835 0.706 0.926 1.000 0.538 CA 1.307 14 residues pruned to eliminate duplicates Z: 13 11.818 1.820 0.439 0.537 0.917 0.667 CB 1.370 8 residues pruned to eliminate duplicates Z: 20 19.563 1.891 0.467 0.869 0.947 0.842 CA 1.247 20 residues pruned to eliminate duplicates Z: 16 8.149 1.538 0.462 0.525 0.867 0.800 CB 1.053 16 residues pruned to eliminate duplicates Z: 14 24.806 1.845 0.894 0.942 1.000 0.923 CA 1.365 14 residues pruned to eliminate duplicates Z: 9 8.025 1.789 0.250 0.533 0.875 0.500 CB 1.403 10 residues pruned to eliminate duplicates Z: 30 19.938 1.872 0.567 0.554 0.828 0.552 CB 1.447 25 residues pruned to eliminate duplicates Z: 7 5.500 1.909 0.097 0.848 1.000 1.000 CB 0.795 5 residues pruned to eliminate duplicates Z: 10 8.650 1.910 0.758 0.598 0.778 0.667 CB 1.005 10 residues pruned to eliminate duplicates Z: 8 2.610 1.718 0.375 0.246 0.714 0.571 N 0.784 8 residues pruned to eliminate duplicates Z: 26 14.194 1.865 0.480 0.339 0.880 0.560 CB 1.393 26 residues pruned to eliminate duplicates Z: 13 11.922 1.672 0.740 0.880 1.000 0.833 CB 0.857 13 residues pruned to eliminate duplicates Z: 17 21.917 1.888 0.680 0.835 0.938 0.812 CB 1.381 17 residues pruned to eliminate duplicates Z: 17 21.477 2.034 0.742 0.853 0.938 0.812 CB 1.194 17 residues pruned to eliminate duplicates Z: 11 9.533 1.660 0.361 0.630 0.900 0.600 CB 1.312 10 residues pruned to eliminate duplicates Z: 18 21.867 1.891 0.856 0.833 0.941 0.529 CB 1.204 18 residues pruned to eliminate duplicates Z: 10 8.901 1.652 0.339 0.484 1.000 0.667 CB 1.363 10 residues pruned to eliminate duplicates Z: 6 4.003 1.671 0.631 0.492 0.600 0.600 CB 1.104 5 residues pruned to eliminate duplicates Z: 59 21.372 1.943 0.577 0.321 0.845 0.552 CB 1.320 59 residues pruned to eliminate duplicates Z: 7 5.705 1.627 0.137 0.806 1.000 0.833 CA 0.964 7 residues pruned to eliminate duplicates Z: 15 16.652 1.955 0.565 0.613 1.000 0.786 CB 1.306 14 residues pruned to eliminate duplicates Z: 12 6.636 1.554 0.558 0.541 0.818 0.455 CB 0.971 9 residues pruned to eliminate duplicates Z: 20 24.735 1.907 0.704 0.877 1.000 0.947 CA 1.268 20 residues pruned to eliminate duplicates Z: 6 4.161 1.511 0.120 0.449 1.000 0.800 CA 1.158 4 residues pruned to eliminate duplicates Z: 8 12.465 1.687 0.606 0.860 1.000 1.000 CA 1.278 8 residues pruned to eliminate duplicates Z: 29 17.105 1.823 0.550 0.499 0.893 0.607 CB 1.282 30 residues pruned to eliminate duplicates Z: 30 19.080 1.796 0.827 0.424 0.931 0.310 CB 1.254 32 residues pruned to eliminate duplicates Z: 12 16.538 1.750 0.795 0.908 1.000 0.909 CB 1.127 12 residues pruned to eliminate duplicates Z: 8 4.433 1.445 0.494 0.374 0.857 0.714 CB 1.036 8 residues pruned to eliminate duplicates Z: 17 10.901 1.578 0.742 0.523 0.875 0.500 CA 1.108 17 residues pruned to eliminate duplicates Z: 10 13.438 1.753 0.654 0.864 0.889 0.778 CB 1.274 10 residues pruned to eliminate duplicates Z: 7 3.808 1.730 0.273 0.380 0.667 0.500 CB 1.204 7 residues pruned to eliminate duplicates Z: 35 24.142 1.949 0.656 0.704 0.971 0.853 CB 1.098 35 residues pruned to eliminate duplicates Z: 9 5.636 1.319 0.630 0.563 0.875 0.375 CB 0.996 Z: 13 7.351 1.657 0.521 0.368 0.917 0.750 CB 1.058 8 residues pruned to eliminate duplicates Z: 35 23.820 1.959 0.602 0.636 0.941 0.735 CB 1.218 35 residues pruned to eliminate duplicates Z: 9 6.704 1.744 0.541 0.499 0.875 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 12 6.120 1.520 0.557 0.503 0.909 0.545 CB 0.856 12 residues pruned to eliminate duplicates Z: 29 14.212 1.856 0.362 0.503 0.929 0.750 CB 1.141 29 residues pruned to eliminate duplicates Z: 9 13.659 1.785 0.764 0.879 1.000 0.750 CB 1.112 9 residues pruned to eliminate duplicates Z: 10 16.529 1.916 0.989 0.834 0.889 0.444 CB 1.219 10 residues pruned to eliminate duplicates Z: 20 20.995 1.864 0.651 0.864 0.947 0.947 CA 1.211 20 residues pruned to eliminate duplicates Z: 9 3.202 1.601 0.297 0.629 0.875 0.500 CB 0.552 Z: 38 12.859 1.804 0.388 0.426 0.865 0.459 CB 1.054 38 residues pruned to eliminate duplicates Z: 10 14.649 1.677 0.961 0.873 1.000 0.889 CB 1.081 10 residues pruned to eliminate duplicates Z: 28 8.926 1.799 0.278 0.256 0.852 0.630 CB 1.160 28 residues pruned to eliminate duplicates Z: 17 19.506 1.827 0.534 0.886 0.938 0.750 CB 1.339 17 residues pruned to eliminate duplicates Z: 9 6.944 1.680 0.493 0.435 0.875 0.750 CB 1.196 10 residues pruned to eliminate duplicates Z: 22 10.548 1.675 0.548 0.523 0.810 0.571 CB 1.072 22 residues pruned to eliminate duplicates Z: 19 8.834 1.668 0.389 0.454 0.889 0.722 CB 1.060 19 residues pruned to eliminate duplicates Z: 19 18.039 1.916 0.524 0.832 0.889 0.611 CA 1.230 19 residues pruned to eliminate duplicates Z: 17 21.291 1.783 0.673 0.916 1.000 0.938 CB 1.260 17 residues pruned to eliminate duplicates Z: 18 18.841 2.016 0.600 0.762 0.941 0.706 CB 1.192 18 residues pruned to eliminate duplicates Z: 16 19.068 1.999 0.474 0.867 1.000 0.800 CB 1.222 17 residues pruned to eliminate duplicates Z: 10 7.063 1.561 0.570 0.478 0.778 0.667 CA 1.263 Z: 6 3.741 1.365 0.651 0.419 1.000 0.200 CB 0.808 Z: 11 6.457 1.824 0.539 0.393 0.700 0.500 CB 1.163 Z: 12 11.574 1.629 0.801 0.641 0.909 0.636 CB 1.146 6 residues pruned to eliminate duplicates Z: 6 2.815 1.626 -0.205 0.425 0.800 0.400 N 1.316 Z: 25 20.753 1.911 0.672 0.645 0.875 0.667 CB 1.323 25 residues pruned to eliminate duplicates Z: 8 7.153 1.568 0.316 0.701 1.000 0.714 N 1.091 11 residues pruned to eliminate duplicates Z: 7 3.127 1.463 0.158 0.469 0.833 0.667 CB 0.933 Z: 12 20.293 1.871 0.795 0.868 1.000 0.545 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 5.510 1.549 0.414 0.493 0.750 0.667 CB 0.976 13 residues pruned to eliminate duplicates Z: 9 5.052 1.773 0.134 0.438 0.875 0.500 CB 1.081 9 residues pruned to eliminate duplicates Z: 22 12.217 1.845 0.585 0.338 0.857 0.524 CB 1.269 22 residues pruned to eliminate duplicates Z: 8 3.975 1.482 0.163 0.840 0.857 0.714 CB 0.759 8 residues pruned to eliminate duplicates Z: 7 16.295 1.969 0.642 0.787 1.000 0.500 CB 1.599 7 residues pruned to eliminate duplicates Z: 6 3.738 1.281 0.211 0.774 1.000 0.800 N 0.847 Z: 11 14.975 1.589 0.956 0.880 0.900 0.600 N 1.227 10 residues pruned to eliminate duplicates Z: 17 22.018 1.841 0.639 0.885 0.938 0.438 CA 1.405 17 residues pruned to eliminate duplicates Z: 27 9.756 1.686 0.520 0.331 0.731 0.423 CB 1.230 34 residues pruned to eliminate duplicates Z: 6 7.107 1.705 0.592 0.866 1.000 0.800 CB 0.857 Z: 27 9.043 1.533 0.467 0.418 0.769 0.500 CB 1.117 27 residues pruned to eliminate duplicates 6 0.939 1.291 0.086 0.293 0.600 0.400 CB 0.629 ? Z: 32 17.243 1.891 0.533 0.402 0.903 0.710 CB 1.312 33 residues pruned to eliminate duplicates Z: 11 7.932 1.633 0.105 0.565 1.000 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 12 6.585 1.572 0.301 0.498 0.818 0.455 CB 1.189 Z: 10 3.622 1.407 0.322 0.243 0.889 0.444 CB 0.983 Z: 6 4.525 1.494 0.386 0.730 0.800 0.600 CB 0.993 Z: 8 3.265 1.602 0.256 0.256 0.857 0.286 CB 0.946 Z: 9 11.101 1.869 0.657 0.865 1.000 0.750 CB 0.928 9 residues pruned to eliminate duplicates Z: 6 3.774 1.307 0.232 0.724 1.000 0.800 CB 0.856 Z: 19 18.857 1.848 0.454 0.881 0.944 0.833 CA 1.269 19 residues pruned to eliminate duplicates Z: 12 8.748 1.687 0.435 0.509 0.818 0.545 CB 1.319 11 residues pruned to eliminate duplicates 6 0.900 1.281 0.546 0.100 0.400 0.400 CB 0.847 ? Z: 6 4.638 1.266 0.657 0.815 1.000 0.800 N 0.752 Z: 8 2.878 1.323 0.491 0.247 0.857 0.571 CB 0.862 Z: 12 7.817 1.661 0.277 0.803 0.818 0.818 CB 1.043 12 residues pruned to eliminate duplicates Z: 31 27.312 1.865 0.765 0.729 0.967 0.700 CB 1.275 31 residues pruned to eliminate duplicates Z: 19 19.495 1.840 0.541 0.851 0.944 0.833 CB 1.270 19 residues pruned to eliminate duplicates Z: 11 5.947 1.723 0.148 0.404 1.000 0.700 CB 1.052 12 residues pruned to eliminate duplicates Z: 13 14.365 1.719 0.629 0.859 1.000 0.667 CB 1.090 13 residues pruned to eliminate duplicates Z: 10 11.243 1.770 0.800 0.591 0.778 0.444 O 1.387 Z: 11 10.696 1.536 0.507 0.846 1.000 0.700 N 1.086 11 residues pruned to eliminate duplicates Z: 8 4.729 1.706 0.182 0.767 0.714 0.429 CB 0.979 8 residues pruned to eliminate duplicates Z: 10 5.503 1.590 0.375 0.531 0.667 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 8 4.101 1.595 0.178 0.401 0.857 0.714 CB 1.069 8 residues pruned to eliminate duplicates Z: 6 4.383 1.612 -0.033 0.568 1.000 0.800 CA 1.178 4 residues pruned to eliminate duplicates Z: 7 10.027 1.802 0.579 0.732 1.000 0.833 CA 1.168 7 residues pruned to eliminate duplicates Z: 10 6.415 1.637 0.499 0.433 0.778 0.444 CB 1.201 10 residues pruned to eliminate duplicates Z: 23 14.641 2.073 0.627 0.304 0.864 0.636 CB 1.334 23 residues pruned to eliminate duplicates Z: 10 5.394 1.625 0.264 0.373 0.889 0.444 CB 1.128 10 residues pruned to eliminate duplicates Z: 8 6.642 1.447 0.600 0.720 1.000 0.857 CA 0.889 9 residues pruned to eliminate duplicates Z: 7 4.328 1.522 0.559 0.658 0.833 0.667 CB 0.772 Z: 9 2.446 1.571 0.275 0.257 0.625 0.375 CB 0.913 Z: 12 3.372 1.602 0.208 0.296 0.636 0.455 CB 1.037 12 residues pruned to eliminate duplicates Z: 7 4.416 1.831 0.519 0.341 0.833 0.500 CB 0.926 7 residues pruned to eliminate duplicates Z: 6 3.172 1.583 0.047 0.669 0.800 0.800 CB 0.915 Using tripeptides from previous cycle as seeds Z: 6 4.392 1.389 0.657 0.350 1.000 0.800 N 1.004 3 residues pruned to eliminate duplicates Z: 15 22.425 1.846 0.772 0.938 1.000 0.857 CA 1.274 15 residues pruned to eliminate duplicates Z: 15 23.748 1.847 0.764 0.900 1.000 0.786 CA 1.392 15 residues pruned to eliminate duplicates Z: 14 21.963 1.845 0.860 0.929 1.000 0.769 CA 1.242 14 residues pruned to eliminate duplicates Z: 15 23.935 1.759 1.102 0.838 1.000 0.571 CA 1.293 15 residues pruned to eliminate duplicates Z: 11 20.466 1.825 0.847 0.919 1.000 0.900 CA 1.353 11 residues pruned to eliminate duplicates Z: 12 16.179 1.780 0.834 0.717 1.000 0.364 N 1.227 12 residues pruned to eliminate duplicates Z: 16 22.321 1.748 0.860 0.845 1.000 0.467 CB 1.318 16 residues pruned to eliminate duplicates Z: 14 25.142 1.824 1.152 0.926 0.923 0.538 CB 1.350 14 residues pruned to eliminate duplicates Z: 13 22.364 1.851 0.877 0.910 0.917 0.250 N 1.437 13 residues pruned to eliminate duplicates Z: 15 27.199 1.860 0.934 0.938 1.000 0.786 CB 1.406 15 residues pruned to eliminate duplicates Z: 14 27.286 1.859 1.003 0.932 1.000 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 15 24.016 1.808 0.968 0.913 0.929 0.429 CA 1.375 15 residues pruned to eliminate duplicates Z: 15 23.596 1.812 0.838 0.938 1.000 0.714 CB 1.316 15 residues pruned to eliminate duplicates Z: 27 9.321 1.658 0.297 0.391 0.885 0.577 CB 1.079 35 residues pruned to eliminate duplicates Z: 19 9.891 1.709 0.369 0.423 0.944 0.556 CB 1.143 6 residues pruned to eliminate duplicates Z: 6 6.706 1.517 0.347 0.716 1.000 0.600 CB 1.208 6 residues pruned to eliminate duplicates Z: 39 15.321 1.763 0.529 0.397 0.842 0.447 CB 1.221 44 residues pruned to eliminate duplicates Z: 9 7.547 1.576 0.570 0.520 1.000 0.625 CB 1.057 9 residues pruned to eliminate duplicates Z: 22 8.736 1.611 0.392 0.390 0.905 0.524 CB 1.057 22 residues pruned to eliminate duplicates Z: 13 5.163 1.596 0.286 0.332 0.833 0.833 CB 1.047 13 residues pruned to eliminate duplicates Z: 21 9.956 1.671 0.515 0.334 0.900 0.800 CB 1.171 21 residues pruned to eliminate duplicates Z: 8 4.578 1.717 0.397 0.380 0.714 0.714 CB 1.148 8 residues pruned to eliminate duplicates Z: 6 8.931 1.966 0.548 0.426 1.000 0.800 CB 1.417 8 residues pruned to eliminate duplicates Z: 7 3.154 1.460 0.264 0.340 0.833 0.500 CA 0.996 7 residues pruned to eliminate duplicates Z: 8 8.301 1.820 0.463 0.431 0.857 0.714 CB 1.477 8 residues pruned to eliminate duplicates Z: 9 10.266 1.695 0.599 0.661 0.875 0.750 N 1.317 9 residues pruned to eliminate duplicates Z: 14 25.938 1.910 0.872 0.930 1.000 0.615 CB 1.407 14 residues pruned to eliminate duplicates Z: 31 28.582 1.921 0.607 0.715 0.967 0.667 CB 1.440 31 residues pruned to eliminate duplicates Z: 16 26.703 1.886 0.764 0.925 1.000 0.600 CB 1.455 16 residues pruned to eliminate duplicates Z: 15 21.386 1.838 0.744 0.731 1.000 0.857 CB 1.449 15 residues pruned to eliminate duplicates Z: 26 19.806 1.841 0.528 0.680 0.960 0.640 CB 1.243 26 residues pruned to eliminate duplicates Z: 26 23.148 1.864 0.684 0.695 1.000 0.680 CB 1.234 26 residues pruned to eliminate duplicates Z: 18 18.216 1.759 0.613 0.758 0.941 0.529 CB 1.314 18 residues pruned to eliminate duplicates Z: 31 28.560 1.919 0.569 0.735 1.000 0.600 CB 1.402 31 residues pruned to eliminate duplicates Z: 29 31.072 1.881 0.901 0.655 0.929 0.607 CB 1.531 29 residues pruned to eliminate duplicates Z: 15 18.868 1.890 0.800 0.721 0.857 0.571 CB 1.416 15 residues pruned to eliminate duplicates Z: 31 31.106 1.953 0.677 0.699 1.000 0.700 CB 1.446 31 residues pruned to eliminate duplicates Z: 30 31.291 1.966 0.729 0.713 0.966 0.759 CB 1.459 30 residues pruned to eliminate duplicates Z: 29 29.503 1.945 0.627 0.732 0.964 0.786 CB 1.484 29 residues pruned to eliminate duplicates Z: 30 30.091 1.945 0.705 0.727 0.931 0.828 CB 1.475 30 residues pruned to eliminate duplicates Z: 15 16.805 1.884 0.664 0.656 0.857 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 15 20.116 1.991 0.739 0.595 1.000 0.857 CB 1.418 15 residues pruned to eliminate duplicates Z: 31 33.023 1.948 0.777 0.718 1.000 0.767 CB 1.430 31 residues pruned to eliminate duplicates Z: 7 3.887 1.208 0.866 0.464 0.833 0.500 CA 0.876 7 residues pruned to eliminate duplicates Z: 21 13.195 1.836 0.468 0.522 0.850 0.600 CB 1.259 21 residues pruned to eliminate duplicates Z: 26 17.503 1.891 0.545 0.598 0.920 0.720 CB 1.186 26 residues pruned to eliminate duplicates Z: 19 14.423 1.866 0.426 0.578 0.889 0.667 CB 1.333 19 residues pruned to eliminate duplicates Z: 47 30.495 1.900 0.713 0.639 0.957 0.674 CB 1.268 47 residues pruned to eliminate duplicates Z: 9 3.650 1.561 0.486 0.329 0.875 0.500 CB 0.767 9 residues pruned to eliminate duplicates Z: 11 4.670 1.757 0.448 0.401 0.800 0.500 CB 0.805 11 residues pruned to eliminate duplicates Z: 33 21.030 1.851 0.630 0.541 0.938 0.562 CB 1.263 33 residues pruned to eliminate duplicates Z: 7 4.293 1.855 0.388 0.344 0.667 0.500 CB 1.210 7 residues pruned to eliminate duplicates Z: 16 13.960 1.887 0.512 0.539 0.933 0.667 CB 1.302 16 residues pruned to eliminate duplicates Z: 67 24.223 1.849 0.541 0.498 0.864 0.545 CB 1.214 67 residues pruned to eliminate duplicates Z: 44 29.415 1.924 0.565 0.659 0.953 0.698 CB 1.348 44 residues pruned to eliminate duplicates Z: 32 17.421 1.881 0.528 0.444 0.968 0.677 CB 1.192 32 residues pruned to eliminate duplicates Z: 19 12.870 1.814 0.542 0.475 0.944 0.722 CB 1.177 19 residues pruned to eliminate duplicates Z: 16 11.450 1.948 0.508 0.572 0.733 0.533 CB 1.280 16 residues pruned to eliminate duplicates Z: 17 14.585 1.878 0.588 0.620 0.938 0.438 CB 1.165 17 residues pruned to eliminate duplicates Z: 21 16.001 1.803 0.670 0.473 0.900 0.500 CB 1.356 23 residues pruned to eliminate duplicates Z: 7 2.464 1.213 0.591 0.410 1.000 0.500 N 0.572 7 residues pruned to eliminate duplicates Z: 15 13.208 1.815 0.565 0.511 0.929 0.714 CA 1.323 15 residues pruned to eliminate duplicates Z: 19 12.840 1.911 0.478 0.482 0.778 0.556 CB 1.402 19 residues pruned to eliminate duplicates Z: 14 17.198 2.024 0.511 0.591 0.923 0.538 CB 1.547 14 residues pruned to eliminate duplicates Z: 14 17.465 2.016 0.671 0.650 0.923 0.615 CB 1.355 14 residues pruned to eliminate duplicates Z: 47 25.796 1.921 0.554 0.594 0.935 0.630 CB 1.246 47 residues pruned to eliminate duplicates Z: 11 3.947 1.761 0.415 0.391 0.700 0.400 CB 0.803 11 residues pruned to eliminate duplicates Z: 15 18.410 1.953 0.498 0.815 1.000 0.786 CB 1.279 15 residues pruned to eliminate duplicates Z: 15 8.478 1.758 0.560 0.358 0.786 0.429 CB 1.225 13 residues pruned to eliminate duplicates Z: 14 18.290 1.972 0.512 0.913 1.000 0.846 CB 1.204 14 residues pruned to eliminate duplicates Z: 15 20.339 1.967 0.786 0.836 0.929 0.714 CB 1.247 15 residues pruned to eliminate duplicates Z: 15 21.236 1.949 0.847 0.790 1.000 0.571 CB 1.222 15 residues pruned to eliminate duplicates Z: 13 19.593 1.991 0.795 0.798 0.917 0.500 CA 1.329 13 residues pruned to eliminate duplicates Z: 13 19.246 2.002 0.906 0.763 1.000 0.750 CB 1.153 13 residues pruned to eliminate duplicates Z: 13 22.315 2.059 0.862 0.883 0.917 0.667 CB 1.325 13 residues pruned to eliminate duplicates Z: 24 20.202 1.847 0.805 0.559 0.913 0.652 CB 1.306 24 residues pruned to eliminate duplicates Z: 15 20.726 1.982 0.730 0.798 1.000 0.857 CB 1.245 15 residues pruned to eliminate duplicates Z: 24 18.598 1.860 0.733 0.601 0.870 0.565 CB 1.256 24 residues pruned to eliminate duplicates Z: 16 16.083 1.861 0.830 0.767 0.867 0.667 CB 1.110 16 residues pruned to eliminate duplicates Z: 14 20.170 1.978 0.847 0.904 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 14 19.423 1.963 0.732 0.931 0.923 0.846 CB 1.199 14 residues pruned to eliminate duplicates Z: 15 21.435 1.931 0.890 0.914 0.929 0.571 CB 1.196 15 residues pruned to eliminate duplicates Z: 14 10.500 1.587 0.570 0.651 1.000 0.615 CB 1.016 14 residues pruned to eliminate duplicates Z: 9 6.158 1.533 0.511 0.703 0.875 0.500 CB 0.893 9 residues pruned to eliminate duplicates Z: 10 8.826 1.676 0.534 0.491 0.889 0.444 CB 1.299 10 residues pruned to eliminate duplicates Z: 20 16.279 1.624 0.767 0.563 0.947 0.474 N 1.292 20 residues pruned to eliminate duplicates Z: 11 17.223 1.664 0.826 0.873 1.000 0.600 N 1.305 12 residues pruned to eliminate duplicates Z: 9 10.355 1.664 0.553 0.857 0.875 0.500 CA 1.193 9 residues pruned to eliminate duplicates Z: 12 14.301 1.675 0.850 0.721 0.909 0.545 CA 1.254 12 residues pruned to eliminate duplicates Z: 13 11.095 1.589 0.580 0.644 0.917 0.583 N 1.216 13 residues pruned to eliminate duplicates Z: 28 10.819 1.593 0.663 0.416 0.778 0.370 CB 1.103 28 residues pruned to eliminate duplicates Z: 6 4.436 1.358 0.445 0.624 1.000 0.800 CB 0.900 Z: 20 19.302 1.868 0.493 0.810 0.895 0.579 CA 1.353 20 residues pruned to eliminate duplicates Z: 29 19.036 1.855 0.411 0.668 0.964 0.500 CB 1.221 37 residues pruned to eliminate duplicates Z: 16 22.577 2.018 0.536 0.871 0.933 0.733 CA 1.469 16 residues pruned to eliminate duplicates Z: 27 18.041 1.823 0.291 0.658 0.923 0.577 CB 1.407 27 residues pruned to eliminate duplicates Z: 25 23.196 1.981 0.383 0.732 0.958 0.708 CB 1.463 25 residues pruned to eliminate duplicates Z: 26 21.836 1.923 0.508 0.679 0.880 0.600 CB 1.451 26 residues pruned to eliminate duplicates Z: 27 22.159 1.911 0.401 0.672 0.923 0.654 CB 1.500 27 residues pruned to eliminate duplicates Z: 15 11.960 1.912 0.422 0.623 0.857 0.714 CA 1.222 15 residues pruned to eliminate duplicates Z: 24 16.844 1.914 0.302 0.658 0.870 0.652 CA 1.400 24 residues pruned to eliminate duplicates Z: 24 24.373 1.982 0.443 0.738 0.957 0.739 CB 1.502 28 residues pruned to eliminate duplicates Z: 15 21.724 2.007 0.443 0.922 1.000 0.929 CA 1.410 15 residues pruned to eliminate duplicates Z: 26 22.919 1.929 0.442 0.726 0.960 0.760 CB 1.400 25 residues pruned to eliminate duplicates Z: 16 18.601 2.014 0.256 0.902 1.000 0.867 CA 1.355 16 residues pruned to eliminate duplicates Z: 23 25.116 2.002 0.516 0.726 0.955 0.727 CA 1.507 24 residues pruned to eliminate duplicates Z: 16 23.178 2.035 0.519 0.871 0.933 0.733 CA 1.513 16 residues pruned to eliminate duplicates Z: 24 18.438 1.909 0.424 0.615 0.913 0.652 CA 1.390 24 residues pruned to eliminate duplicates Z: 25 23.121 1.939 0.589 0.758 0.917 0.667 CB 1.328 23 residues pruned to eliminate duplicates Z: 25 26.621 1.865 0.682 0.798 0.917 0.792 CA 1.456 23 residues pruned to eliminate duplicates Z: 8 7.640 1.360 0.871 0.791 0.857 0.571 C 1.025 8 residues pruned to eliminate duplicates Z: 29 14.244 1.664 0.634 0.467 0.750 0.321 CB 1.366 29 residues pruned to eliminate duplicates Z: 25 22.123 1.939 0.521 0.718 0.958 0.542 CB 1.311 25 residues pruned to eliminate duplicates Z: 29 19.474 1.831 0.486 0.663 0.929 0.607 CB 1.252 29 residues pruned to eliminate duplicates Z: 15 13.179 1.812 0.504 0.645 0.929 0.714 CB 1.216 15 residues pruned to eliminate duplicates Z: 16 16.623 1.793 0.500 0.740 1.000 0.667 CB 1.287 17 residues pruned to eliminate duplicates Z: 11 7.341 1.317 1.034 0.714 0.900 0.800 CA 0.793 11 residues pruned to eliminate duplicates 10 1.625 1.457 0.083 0.132 0.889 0.333 CB 0.611 ? Z: 19 10.316 1.925 0.736 0.361 0.833 0.500 CB 1.014 19 residues pruned to eliminate duplicates Z: 21 12.530 1.833 0.621 0.386 0.800 0.550 CB 1.331 21 residues pruned to eliminate duplicates Z: 37 15.857 1.807 0.637 0.349 0.833 0.472 CB 1.263 37 residues pruned to eliminate duplicates Z: 28 12.891 1.898 0.592 0.282 0.815 0.556 CB 1.290 28 residues pruned to eliminate duplicates Z: 38 13.573 1.809 0.490 0.300 0.865 0.568 CB 1.196 38 residues pruned to eliminate duplicates Z: 23 12.411 1.880 0.618 0.293 0.909 0.455 CB 1.206 23 residues pruned to eliminate duplicates Z: 24 12.076 1.967 0.482 0.292 0.826 0.478 CB 1.320 24 residues pruned to eliminate duplicates Z: 16 11.415 1.982 0.584 0.288 0.867 0.533 CA 1.374 16 residues pruned to eliminate duplicates Z: 38 14.597 1.795 0.526 0.301 0.865 0.595 CB 1.266 38 residues pruned to eliminate duplicates Z: 20 13.782 1.888 0.558 0.343 0.947 0.632 CB 1.346 20 residues pruned to eliminate duplicates Z: 27 12.971 1.903 0.521 0.281 0.885 0.577 CB 1.273 27 residues pruned to eliminate duplicates Z: 25 16.966 1.968 0.662 0.334 0.917 0.708 CB 1.386 25 residues pruned to eliminate duplicates Z: 6 13.171 2.401 0.548 0.406 1.000 0.800 CA 1.750 6 residues pruned to eliminate duplicates Z: 20 10.015 1.885 0.721 0.242 0.789 0.579 CB 1.209 20 residues pruned to eliminate duplicates Z: 19 14.359 1.934 0.545 0.348 0.889 0.556 CA 1.504 19 residues pruned to eliminate duplicates Z: 16 15.524 2.101 0.603 0.454 0.867 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 22 12.219 1.885 0.536 0.317 0.857 0.381 CB 1.315 22 residues pruned to eliminate duplicates Z: 37 28.345 1.957 0.698 0.606 0.917 0.611 CB 1.403 55 residues pruned to eliminate duplicates Z: 7 8.282 1.690 0.498 0.717 1.000 0.667 CA 1.097 7 residues pruned to eliminate duplicates Z: 26 23.022 1.788 0.705 0.710 0.960 0.680 CB 1.300 26 residues pruned to eliminate duplicates Z: 26 22.653 1.849 0.602 0.634 0.920 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 26 23.596 1.828 0.652 0.683 1.000 0.720 CB 1.321 26 residues pruned to eliminate duplicates Z: 23 25.432 1.898 0.613 0.731 0.955 0.818 CA 1.508 23 residues pruned to eliminate duplicates Z: 22 24.829 1.902 0.500 0.759 1.000 0.762 CB 1.509 22 residues pruned to eliminate duplicates Z: 27 19.591 1.747 0.575 0.624 0.923 0.769 CB 1.345 40 residues pruned to eliminate duplicates Z: 16 23.265 1.882 0.551 0.938 1.000 0.800 CB 1.432 16 residues pruned to eliminate duplicates Z: 23 23.257 1.868 0.461 0.745 1.000 0.818 CB 1.459 23 residues pruned to eliminate duplicates Z: 24 27.966 1.872 0.781 0.767 0.957 0.783 CA 1.442 24 residues pruned to eliminate duplicates Z: 22 23.798 1.887 0.673 0.778 0.857 0.810 CB 1.503 22 residues pruned to eliminate duplicates Z: 23 25.828 1.890 0.616 0.732 1.000 0.682 CB 1.463 23 residues pruned to eliminate duplicates Z: 32 24.332 1.803 0.687 0.592 0.935 0.581 CB 1.406 32 residues pruned to eliminate duplicates Z: 23 26.181 1.918 0.614 0.748 1.000 0.727 CB 1.445 23 residues pruned to eliminate duplicates Z: 23 25.466 1.862 0.760 0.733 0.955 0.727 N 1.407 23 residues pruned to eliminate duplicates Z: 24 22.734 1.869 0.613 0.696 0.957 0.696 CB 1.374 24 residues pruned to eliminate duplicates Z: 23 22.913 1.880 0.634 0.706 0.909 0.636 N 1.452 23 residues pruned to eliminate duplicates Z: 23 28.202 1.891 0.715 0.777 1.000 0.500 CB 1.452 23 residues pruned to eliminate duplicates Z: 22 21.127 1.763 0.843 0.738 0.810 0.381 CA 1.416 22 residues pruned to eliminate duplicates Z: 25 29.524 1.902 0.745 0.739 1.000 0.708 CB 1.466 25 residues pruned to eliminate duplicates Z: 21 25.011 1.806 0.821 0.781 0.900 0.750 CA 1.475 21 residues pruned to eliminate duplicates Z: 27 23.305 1.766 0.864 0.701 0.923 0.692 CB 1.252 27 residues pruned to eliminate duplicates Z: 8 5.387 1.583 0.308 0.445 0.857 0.714 CA 1.213 8 residues pruned to eliminate duplicates Z: 8 7.256 1.728 0.955 0.383 0.714 0.286 O 1.287 8 residues pruned to eliminate duplicates Z: 11 4.515 1.511 0.566 0.425 0.700 0.400 N 0.932 11 residues pruned to eliminate duplicates Z: 6 3.357 1.518 0.506 0.413 0.800 0.400 CB 0.899 6 residues pruned to eliminate duplicates Z: 8 5.049 1.728 0.094 0.543 1.000 0.571 CA 0.968 16 residues pruned to eliminate duplicates Z: 8 2.361 1.708 0.178 0.401 0.714 0.571 CA 0.689 8 residues pruned to eliminate duplicates Z: 32 19.304 1.910 0.490 0.531 0.968 0.710 CA 1.221 32 residues pruned to eliminate duplicates Z: 19 11.254 1.860 0.315 0.430 0.944 0.722 CA 1.235 19 residues pruned to eliminate duplicates Z: 32 18.027 1.863 0.422 0.530 0.935 0.645 CA 1.268 32 residues pruned to eliminate duplicates Z: 37 16.317 1.836 0.348 0.565 0.861 0.694 CB 1.198 37 residues pruned to eliminate duplicates Z: 32 17.627 1.896 0.485 0.554 0.903 0.677 CA 1.180 32 residues pruned to eliminate duplicates Z: 36 17.062 1.860 0.380 0.533 0.971 0.629 CA 1.120 36 residues pruned to eliminate duplicates Z: 32 18.210 1.909 0.460 0.542 0.935 0.677 CB 1.205 32 residues pruned to eliminate duplicates Z: 27 16.632 1.914 0.372 0.518 1.000 0.692 CB 1.221 27 residues pruned to eliminate duplicates Z: 35 14.874 1.816 0.304 0.497 0.853 0.529 CB 1.266 35 residues pruned to eliminate duplicates Z: 13 9.221 1.915 0.336 0.406 0.917 0.750 CA 1.253 13 residues pruned to eliminate duplicates Z: 26 13.663 1.815 0.372 0.433 1.000 0.600 CA 1.176 26 residues pruned to eliminate duplicates Z: 35 16.760 1.890 0.436 0.543 0.912 0.618 CA 1.114 35 residues pruned to eliminate duplicates Z: 26 14.293 1.891 0.404 0.457 0.880 0.560 CB 1.278 26 residues pruned to eliminate duplicates Z: 27 16.550 1.926 0.428 0.505 0.923 0.577 CB 1.272 27 residues pruned to eliminate duplicates Z: 44 14.274 1.799 0.347 0.435 0.860 0.581 CB 1.116 44 residues pruned to eliminate duplicates Z: 33 15.826 1.911 0.336 0.504 0.875 0.562 CB 1.248 33 residues pruned to eliminate duplicates Z: 27 17.285 1.918 0.418 0.549 0.923 0.692 CB 1.288 27 residues pruned to eliminate duplicates Z: 29 15.259 1.899 0.381 0.532 0.929 0.571 CA 1.147 29 residues pruned to eliminate duplicates Z: 32 20.827 1.862 0.511 0.690 0.935 0.710 CB 1.194 32 residues pruned to eliminate duplicates Z: 34 19.895 1.848 0.439 0.601 0.939 0.788 CB 1.259 34 residues pruned to eliminate duplicates Z: 15 12.291 1.932 0.420 0.690 0.857 0.714 CA 1.174 15 residues pruned to eliminate duplicates Z: 27 19.816 1.880 0.482 0.743 0.923 0.769 CB 1.216 27 residues pruned to eliminate duplicates Z: 18 13.435 1.911 0.355 0.661 0.941 0.647 CA 1.152 18 residues pruned to eliminate duplicates Z: 24 20.921 1.859 0.621 0.773 0.957 0.739 CA 1.189 24 residues pruned to eliminate duplicates Z: 34 21.868 1.843 0.584 0.588 0.939 0.636 CB 1.276 34 residues pruned to eliminate duplicates Z: 52 24.027 1.768 0.774 0.539 0.902 0.588 CB 1.145 67 residues pruned to eliminate duplicates Z: 11 11.602 1.846 0.462 0.869 0.900 0.800 CA 1.104 11 residues pruned to eliminate duplicates Z: 36 22.479 1.840 0.629 0.559 0.971 0.571 CB 1.233 36 residues pruned to eliminate duplicates Z: 17 18.003 1.945 0.716 0.724 0.938 0.625 CA 1.175 17 residues pruned to eliminate duplicates Z: 32 20.774 1.793 0.553 0.623 0.968 0.645 CA 1.233 32 residues pruned to eliminate duplicates Z: 44 22.085 1.849 0.462 0.533 0.907 0.651 CA 1.331 44 residues pruned to eliminate duplicates Z: 41 21.189 1.854 0.398 0.592 0.925 0.625 CB 1.280 41 residues pruned to eliminate duplicates Z: 25 12.499 1.735 0.300 0.473 0.917 0.583 CB 1.269 25 residues pruned to eliminate duplicates Z: 29 17.796 1.786 0.627 0.666 0.893 0.714 CB 1.111 29 residues pruned to eliminate duplicates Z: 47 20.393 1.840 0.491 0.503 0.935 0.565 CB 1.169 47 residues pruned to eliminate duplicates Z: 44 20.975 1.821 0.512 0.560 0.907 0.558 CB 1.208 44 residues pruned to eliminate duplicates Z: 44 21.713 1.878 0.486 0.524 0.907 0.581 CB 1.278 44 residues pruned to eliminate duplicates Z: 9 6.654 1.589 0.361 0.545 0.875 0.625 CA 1.190 9 residues pruned to eliminate duplicates Z: 33 21.636 1.876 0.546 0.598 0.938 0.781 CB 1.280 33 residues pruned to eliminate duplicates Z: 39 14.894 1.732 0.524 0.489 0.816 0.474 CB 1.135 39 residues pruned to eliminate duplicates Z: 15 10.852 1.724 0.677 0.339 0.929 0.571 CA 1.287 15 residues pruned to eliminate duplicates Z: 56 21.387 1.838 0.398 0.514 0.909 0.564 CB 1.218 56 residues pruned to eliminate duplicates Z: 33 17.478 1.820 0.644 0.487 0.875 0.500 CB 1.196 33 residues pruned to eliminate duplicates Z: 37 20.243 1.810 0.599 0.537 0.944 0.556 CB 1.190 37 residues pruned to eliminate duplicates Z: 21 15.183 1.770 0.639 0.493 0.900 0.700 CB 1.309 21 residues pruned to eliminate duplicates Z: 36 21.081 1.853 0.622 0.566 0.943 0.600 CB 1.179 36 residues pruned to eliminate duplicates Z: 20 9.289 1.660 0.468 0.337 0.789 0.421 N 1.324 20 residues pruned to eliminate duplicates Z: 33 22.049 1.863 0.678 0.596 0.906 0.531 CB 1.254 33 residues pruned to eliminate duplicates Z: 10 14.381 1.821 0.724 0.727 0.889 0.889 N 1.400 10 residues pruned to eliminate duplicates Z: 13 13.295 1.686 0.835 0.627 0.917 0.750 N 1.201 13 residues pruned to eliminate duplicates Z: 14 13.496 1.733 0.532 0.632 1.000 0.538 N 1.246 14 residues pruned to eliminate duplicates Z: 10 12.586 1.804 0.548 0.554 1.000 0.556 N 1.426 10 residues pruned to eliminate duplicates Z: 10 17.652 1.787 1.048 0.759 0.889 0.889 N 1.436 10 residues pruned to eliminate duplicates Z: 10 15.361 1.822 0.896 0.655 0.889 0.667 N 1.444 10 residues pruned to eliminate duplicates Z: 11 8.530 1.559 0.403 0.618 1.000 0.700 CB 1.104 9 residues pruned to eliminate duplicates Z: 15 12.827 1.648 0.665 0.859 1.000 0.929 CB 0.919 16 residues pruned to eliminate duplicates Z: 13 11.072 1.736 0.516 0.883 1.000 0.750 CB 0.878 13 residues pruned to eliminate duplicates Z: 10 6.684 1.599 0.576 0.630 0.778 0.667 CB 1.006 10 residues pruned to eliminate duplicates Z: 13 14.326 1.764 0.850 0.760 0.917 0.667 CB 1.097 14 residues pruned to eliminate duplicates Z: 12 13.981 1.774 0.710 0.864 0.909 0.727 CB 1.121 12 residues pruned to eliminate duplicates Z: 14 12.856 1.730 0.851 0.873 0.846 0.615 CB 0.959 14 residues pruned to eliminate duplicates Z: 13 14.152 1.699 0.697 0.756 1.000 0.500 CB 1.127 12 residues pruned to eliminate duplicates Z: 13 15.243 1.714 0.963 0.891 1.000 0.500 CB 0.940 13 residues pruned to eliminate duplicates Z: 15 10.019 1.726 0.756 0.635 0.857 0.429 CB 0.908 15 residues pruned to eliminate duplicates Z: 7 6.127 1.791 0.869 0.548 0.833 0.500 CB 0.856 7 residues pruned to eliminate duplicates Z: 7 9.816 1.818 0.634 0.852 1.000 0.667 CB 0.998 7 residues pruned to eliminate duplicates Z: 28 18.775 1.804 0.796 0.636 0.963 0.481 CB 1.019 28 residues pruned to eliminate duplicates Z: 26 21.696 1.858 0.775 0.731 0.960 0.520 CB 1.114 26 residues pruned to eliminate duplicates Z: 27 22.126 1.851 0.734 0.767 0.962 0.615 CB 1.110 35 residues pruned to eliminate duplicates Z: 6 4.338 1.241 0.848 0.415 1.000 0.400 N 0.925 6 residues pruned to eliminate duplicates Z: 28 23.700 1.852 0.814 0.741 1.000 0.519 CB 1.093 28 residues pruned to eliminate duplicates Z: 7 2.673 1.293 1.225 0.384 0.667 0.500 N 0.644 7 residues pruned to eliminate duplicates Z: 12 17.077 2.036 0.435 0.643 1.000 0.636 CB 1.542 12 residues pruned to eliminate duplicates Z: 12 17.581 1.968 0.585 0.687 1.000 0.636 CB 1.431 12 residues pruned to eliminate duplicates Z: 13 17.952 1.940 0.605 0.584 1.000 0.667 CB 1.536 13 residues pruned to eliminate duplicates Z: 19 13.964 1.716 0.697 0.625 0.889 0.556 CB 1.130 12 residues pruned to eliminate duplicates Z: 7 4.180 1.310 0.707 0.384 0.833 0.333 CA 1.036 7 residues pruned to eliminate duplicates Z: 13 15.826 1.796 0.829 0.685 0.833 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 12 15.270 1.872 0.648 0.693 0.818 0.818 CA 1.530 12 residues pruned to eliminate duplicates Z: 15 16.951 1.922 0.661 0.721 0.857 0.786 CB 1.355 15 residues pruned to eliminate duplicates Z: 6 2.327 1.403 0.724 0.272 0.600 0.400 N 0.929 6 residues pruned to eliminate duplicates Z: 13 18.421 1.882 0.710 0.674 0.917 0.667 CA 1.536 13 residues pruned to eliminate duplicates Z: 14 16.182 1.855 0.695 0.801 0.923 0.692 CB 1.189 14 residues pruned to eliminate duplicates Z: 21 11.661 1.771 0.374 0.477 0.900 0.550 CB 1.218 21 residues pruned to eliminate duplicates Z: 27 13.057 1.713 0.349 0.490 0.846 0.538 CB 1.323 27 residues pruned to eliminate duplicates Z: 32 12.060 1.783 0.150 0.472 0.839 0.516 CB 1.296 32 residues pruned to eliminate duplicates Z: 17 8.458 1.777 0.322 0.564 0.812 0.562 CB 1.041 17 residues pruned to eliminate duplicates Z: 19 11.226 1.762 0.586 0.466 0.778 0.444 CB 1.260 19 residues pruned to eliminate duplicates Z: 18 12.281 1.759 0.502 0.506 0.941 0.529 CB 1.191 18 residues pruned to eliminate duplicates Z: 34 17.103 1.891 0.429 0.434 0.879 0.515 CB 1.342 34 residues pruned to eliminate duplicates Z: 20 13.158 1.814 0.640 0.486 0.842 0.632 CB 1.222 20 residues pruned to eliminate duplicates Z: 13 13.080 1.815 0.791 0.609 0.917 0.667 CB 1.143 13 residues pruned to eliminate duplicates Z: 18 11.937 1.789 0.430 0.543 0.941 0.588 CB 1.152 18 residues pruned to eliminate duplicates Z: 17 11.704 1.748 0.627 0.599 0.812 0.562 CB 1.152 17 residues pruned to eliminate duplicates Z: 13 16.639 1.876 0.992 0.504 0.917 0.667 CA 1.396 13 residues pruned to eliminate duplicates Z: 35 16.380 1.845 0.619 0.351 0.853 0.412 CB 1.296 35 residues pruned to eliminate duplicates Z: 29 20.157 1.897 0.688 0.424 0.929 0.500 CB 1.385 29 residues pruned to eliminate duplicates Z: 28 17.669 1.940 0.529 0.431 0.889 0.481 CB 1.385 28 residues pruned to eliminate duplicates Z: 14 13.024 1.743 0.893 0.512 0.846 0.462 CB 1.278 14 residues pruned to eliminate duplicates Z: 19 12.841 1.772 0.622 0.496 0.889 0.667 CB 1.190 19 residues pruned to eliminate duplicates Z: 21 12.095 1.794 0.576 0.316 0.850 0.400 CB 1.379 21 residues pruned to eliminate duplicates Z: 37 16.901 1.848 0.580 0.412 0.833 0.417 CB 1.269 37 residues pruned to eliminate duplicates Z: 27 17.755 1.827 0.743 0.449 0.846 0.346 CB 1.362 27 residues pruned to eliminate duplicates Z: 13 10.250 1.938 0.343 0.372 0.917 0.333 N 1.423 13 residues pruned to eliminate duplicates Z: 14 11.056 1.963 0.307 0.416 0.923 0.385 CB 1.414 14 residues pruned to eliminate duplicates Z: 29 14.709 1.844 0.410 0.477 0.857 0.500 CB 1.276 29 residues pruned to eliminate duplicates Z: 7 4.390 1.851 0.059 0.360 0.833 0.333 CB 1.276 7 residues pruned to eliminate duplicates Z: 14 11.892 1.881 0.554 0.354 0.923 0.231 CB 1.430 14 residues pruned to eliminate duplicates Z: 15 13.611 1.912 0.670 0.489 0.857 0.286 CB 1.344 15 residues pruned to eliminate duplicates Z: 8 4.299 1.853 -0.010 0.390 0.857 0.429 N 1.160 8 residues pruned to eliminate duplicates Z: 14 9.129 1.851 0.325 0.342 0.846 0.462 CA 1.448 14 residues pruned to eliminate duplicates Z: 16 8.516 1.874 0.372 0.295 0.867 0.400 CA 1.241 16 residues pruned to eliminate duplicates Z: 17 9.335 1.821 0.451 0.368 0.750 0.312 CA 1.356 17 residues pruned to eliminate duplicates Z: 15 12.129 1.895 0.395 0.444 0.857 0.429 CA 1.516 15 residues pruned to eliminate duplicates Z: 13 13.217 1.983 0.570 0.449 0.833 0.667 CA 1.550 13 residues pruned to eliminate duplicates Z: 29 13.576 1.849 0.600 0.375 0.821 0.393 CB 1.207 29 residues pruned to eliminate duplicates Z: 36 17.586 1.920 0.593 0.392 0.829 0.486 CB 1.315 36 residues pruned to eliminate duplicates Z: 25 13.860 1.896 0.463 0.410 0.792 0.500 CA 1.416 25 residues pruned to eliminate duplicates Z: 10 9.792 1.884 0.724 0.435 0.778 0.444 CA 1.382 10 residues pruned to eliminate duplicates Z: 20 15.097 1.823 0.512 0.579 0.895 0.526 CA 1.301 20 residues pruned to eliminate duplicates Z: 23 14.973 1.913 0.515 0.415 0.864 0.409 CA 1.394 23 residues pruned to eliminate duplicates Z: 20 15.910 1.843 0.563 0.570 0.895 0.737 CB 1.324 20 residues pruned to eliminate duplicates Z: 13 10.090 1.933 0.413 0.477 0.667 0.333 CB 1.637 13 residues pruned to eliminate duplicates Z: 20 16.158 1.953 0.236 0.656 0.947 0.684 CA 1.403 20 residues pruned to eliminate duplicates Z: 20 19.086 1.966 0.469 0.645 0.947 0.579 CA 1.397 20 residues pruned to eliminate duplicates Z: 22 17.663 1.869 0.433 0.724 0.952 0.714 CB 1.235 22 residues pruned to eliminate duplicates Z: 22 16.763 1.882 0.431 0.698 1.000 0.762 CB 1.134 22 residues pruned to eliminate duplicates Z: 24 15.575 1.830 0.207 0.682 1.000 0.696 CB 1.244 24 residues pruned to eliminate duplicates Z: 23 15.973 1.885 0.337 0.677 0.909 0.682 CB 1.264 23 residues pruned to eliminate duplicates Z: 23 16.979 1.866 0.420 0.687 0.955 0.682 CB 1.206 23 residues pruned to eliminate duplicates Z: 22 13.875 1.867 0.421 0.590 0.857 0.571 CB 1.222 22 residues pruned to eliminate duplicates Z: 7 10.580 2.105 0.277 0.493 1.000 1.000 CB 1.619 7 residues pruned to eliminate duplicates Z: 26 15.608 1.882 0.537 0.587 0.800 0.480 CB 1.240 26 residues pruned to eliminate duplicates Z: 7 10.636 2.125 0.522 0.508 0.833 0.500 CB 1.599 7 residues pruned to eliminate duplicates Z: 33 19.395 1.879 0.501 0.568 0.812 0.531 CB 1.401 33 residues pruned to eliminate duplicates Z: 38 19.469 1.848 0.628 0.448 0.892 0.622 CB 1.258 48 residues pruned to eliminate duplicates Z: 9 12.597 1.740 0.588 0.889 1.000 0.875 CA 1.160 9 residues pruned to eliminate duplicates Z: 15 16.618 1.970 0.704 0.508 0.857 0.714 CA 1.532 15 residues pruned to eliminate duplicates Z: 33 19.790 1.903 0.382 0.571 0.938 0.531 CB 1.324 33 residues pruned to eliminate duplicates Z: 14 5.690 1.777 0.277 0.258 0.692 0.308 CB 1.326 14 residues pruned to eliminate duplicates Z: 23 17.478 1.926 0.507 0.432 0.909 0.500 CA 1.516 23 residues pruned to eliminate duplicates Z: 30 17.293 1.808 0.449 0.506 0.897 0.552 CB 1.358 30 residues pruned to eliminate duplicates Z: 36 19.316 1.842 0.441 0.497 0.886 0.486 CB 1.392 36 residues pruned to eliminate duplicates Z: 25 14.416 1.885 0.417 0.397 0.917 0.583 CB 1.340 25 residues pruned to eliminate duplicates Z: 64 22.156 1.952 0.583 0.260 0.841 0.492 CB 1.413 64 residues pruned to eliminate duplicates Z: 38 17.974 1.807 0.463 0.456 0.946 0.649 CB 1.237 38 residues pruned to eliminate duplicates Z: 19 14.787 1.938 0.521 0.414 0.889 0.556 CB 1.456 19 residues pruned to eliminate duplicates Z: 48 22.782 1.912 0.556 0.503 0.872 0.638 CB 1.277 48 residues pruned to eliminate duplicates Z: 63 27.184 1.992 0.513 0.365 0.935 0.613 CB 1.415 63 residues pruned to eliminate duplicates Z: 20 12.033 1.906 0.501 0.349 0.947 0.579 CB 1.199 20 residues pruned to eliminate duplicates Z: 62 23.905 1.952 0.403 0.403 0.902 0.590 CB 1.373 62 residues pruned to eliminate duplicates Z: 42 20.203 2.014 0.508 0.326 0.878 0.585 CB 1.433 42 residues pruned to eliminate duplicates Z: 69 27.406 1.988 0.553 0.393 0.912 0.515 CB 1.322 69 residues pruned to eliminate duplicates Z: 54 20.583 1.848 0.463 0.405 0.887 0.566 CB 1.303 54 residues pruned to eliminate duplicates Z: 31 13.350 1.940 0.533 0.270 0.867 0.633 CB 1.229 31 residues pruned to eliminate duplicates Z: 42 20.540 2.026 0.567 0.330 0.878 0.488 CB 1.386 42 residues pruned to eliminate duplicates Z: 6 6.434 1.893 0.608 0.273 0.800 0.800 N 1.530 6 residues pruned to eliminate duplicates Z: 24 17.434 2.095 0.509 0.333 0.913 0.609 CB 1.511 24 residues pruned to eliminate duplicates Z: 12 12.037 2.022 0.359 0.511 0.909 0.818 CB 1.438 12 residues pruned to eliminate duplicates Z: 19 9.765 1.964 0.362 0.354 0.778 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 36 22.344 2.097 0.526 0.365 0.943 0.657 CB 1.447 36 residues pruned to eliminate duplicates Z: 39 20.673 2.051 0.546 0.337 0.868 0.632 CB 1.456 39 residues pruned to eliminate duplicates Z: 24 14.938 2.150 0.382 0.333 0.870 0.609 CB 1.447 24 residues pruned to eliminate duplicates Z: 34 25.018 2.133 0.555 0.386 0.970 0.606 CB 1.529 34 residues pruned to eliminate duplicates Z: 36 21.951 2.057 0.557 0.279 0.943 0.686 CB 1.578 36 residues pruned to eliminate duplicates Z: 35 20.594 2.079 0.468 0.316 0.941 0.529 CB 1.507 35 residues pruned to eliminate duplicates Z: 30 17.306 1.934 0.527 0.319 0.897 0.621 CB 1.482 30 residues pruned to eliminate duplicates Z: 35 17.658 2.094 0.569 0.307 0.853 0.529 CB 1.339 35 residues pruned to eliminate duplicates Z: 35 20.418 2.112 0.583 0.294 0.912 0.618 CB 1.446 35 residues pruned to eliminate duplicates Z: 28 16.234 2.049 0.456 0.317 0.926 0.593 CB 1.385 28 residues pruned to eliminate duplicates Z: 35 24.369 2.021 0.615 0.447 0.912 0.647 CB 1.483 35 residues pruned to eliminate duplicates Z: 25 17.994 2.132 0.548 0.325 0.917 0.542 CB 1.472 25 residues pruned to eliminate duplicates Z: 36 21.848 2.112 0.554 0.342 0.943 0.571 CB 1.418 36 residues pruned to eliminate duplicates Z: 36 19.177 2.093 0.526 0.333 0.886 0.629 CB 1.376 36 residues pruned to eliminate duplicates Z: 27 19.191 2.046 0.471 0.367 0.962 0.577 CB 1.501 27 residues pruned to eliminate duplicates Z: 43 20.094 2.047 0.458 0.347 0.881 0.595 CB 1.392 43 residues pruned to eliminate duplicates Z: 37 22.769 2.087 0.601 0.360 0.917 0.667 CB 1.440 37 residues pruned to eliminate duplicates Z: 31 17.948 2.080 0.599 0.312 0.833 0.633 CB 1.456 31 residues pruned to eliminate duplicates Z: 32 18.403 2.076 0.621 0.295 0.839 0.581 CB 1.474 32 residues pruned to eliminate duplicates Z: 36 21.310 2.006 0.725 0.329 0.886 0.657 CB 1.418 36 residues pruned to eliminate duplicates Z: 32 16.731 2.086 0.635 0.296 0.774 0.581 CB 1.430 32 residues pruned to eliminate duplicates Z: 49 22.231 1.960 0.530 0.358 0.917 0.583 CB 1.361 49 residues pruned to eliminate duplicates Z: 38 18.596 2.126 0.516 0.313 0.865 0.649 CB 1.350 38 residues pruned to eliminate duplicates Z: 38 20.774 2.090 0.545 0.334 0.919 0.622 CB 1.380 38 residues pruned to eliminate duplicates Z: 36 20.586 2.119 0.543 0.336 0.914 0.629 CB 1.392 36 residues pruned to eliminate duplicates Z: 43 20.905 2.062 0.626 0.363 0.833 0.548 CB 1.337 43 residues pruned to eliminate duplicates Z: 31 17.407 1.791 0.835 0.444 0.833 0.467 CB 1.229 31 residues pruned to eliminate duplicates Z: 44 23.402 2.027 0.703 0.351 0.907 0.558 CB 1.339 44 residues pruned to eliminate duplicates Z: 57 28.099 2.015 0.712 0.408 0.821 0.661 CB 1.460 57 residues pruned to eliminate duplicates Z: 25 20.633 2.006 0.652 0.509 0.958 0.625 CB 1.315 25 residues pruned to eliminate duplicates Z: 44 22.812 2.039 0.614 0.332 0.907 0.605 CB 1.400 44 residues pruned to eliminate duplicates Z: 23 15.980 1.848 0.775 0.497 0.864 0.455 CB 1.205 23 residues pruned to eliminate duplicates Z: 26 15.702 1.779 0.680 0.467 0.880 0.560 CB 1.235 26 residues pruned to eliminate duplicates Z: 25 17.098 1.841 0.694 0.494 0.875 0.458 CB 1.287 25 residues pruned to eliminate duplicates Z: 54 27.284 2.032 0.607 0.430 0.887 0.623 CB 1.391 54 residues pruned to eliminate duplicates Z: 18 15.197 1.858 0.869 0.516 0.882 0.588 CB 1.183 18 residues pruned to eliminate duplicates Z: 61 23.976 1.960 0.633 0.380 0.867 0.567 CB 1.268 61 residues pruned to eliminate duplicates Z: 29 15.588 1.943 0.600 0.436 0.821 0.571 CB 1.232 29 residues pruned to eliminate duplicates Z: 8 9.194 1.823 1.011 0.354 0.857 0.429 CA 1.295 8 residues pruned to eliminate duplicates Z: 28 13.340 1.771 0.496 0.379 0.815 0.370 CB 1.354 28 residues pruned to eliminate duplicates Z: 18 16.417 1.834 0.700 0.566 0.882 0.588 CA 1.358 18 residues pruned to eliminate duplicates Z: 24 16.696 1.869 0.709 0.461 0.913 0.609 CB 1.243 24 residues pruned to eliminate duplicates Z: 23 15.153 1.883 0.505 0.470 0.864 0.636 CB 1.361 23 residues pruned to eliminate duplicates Z: 23 13.504 1.824 0.542 0.434 0.864 0.591 CB 1.269 23 residues pruned to eliminate duplicates Z: 34 24.437 1.904 0.770 0.406 0.939 0.636 CB 1.483 40 residues pruned to eliminate duplicates Z: 12 12.645 1.726 0.729 0.653 1.000 0.818 CA 1.109 12 residues pruned to eliminate duplicates Z: 23 15.125 1.834 0.677 0.450 0.864 0.636 CB 1.278 23 residues pruned to eliminate duplicates Z: 30 15.548 1.847 0.710 0.419 0.828 0.586 CB 1.202 30 residues pruned to eliminate duplicates Z: 23 12.478 1.867 0.636 0.435 0.773 0.455 CB 1.205 23 residues pruned to eliminate duplicates Z: 17 10.204 1.808 0.446 0.467 0.812 0.562 CB 1.242 17 residues pruned to eliminate duplicates Z: 9 7.124 1.805 0.410 0.445 0.875 0.500 CB 1.197 9 residues pruned to eliminate duplicates Z: 6 3.867 1.678 0.224 0.100 1.000 0.400 N 1.404 6 residues pruned to eliminate duplicates Z: 11 4.270 1.611 0.404 0.277 0.800 0.400 CB 0.961 11 residues pruned to eliminate duplicates Z: 20 7.501 1.661 0.419 0.361 0.895 0.579 CB 0.949 20 residues pruned to eliminate duplicates Z: 25 13.710 1.741 0.548 0.458 0.917 0.667 CB 1.182 10 residues pruned to eliminate duplicates Z: 6 3.660 1.452 0.651 0.477 1.000 1.000 CB 0.699 6 residues pruned to eliminate duplicates Z: 22 11.971 1.778 0.266 0.479 0.810 0.571 CA 1.464 22 residues pruned to eliminate duplicates Z: 17 12.588 1.833 0.625 0.421 0.875 0.500 CB 1.311 17 residues pruned to eliminate duplicates Z: 21 17.304 1.814 0.483 0.601 0.950 0.600 CA 1.375 25 residues pruned to eliminate duplicates Z: 14 16.275 1.688 0.753 0.712 1.000 0.769 CA 1.259 14 residues pruned to eliminate duplicates Z: 32 17.372 1.786 0.690 0.530 0.806 0.484 CB 1.245 32 residues pruned to eliminate duplicates Z: 16 14.891 1.863 0.469 0.634 0.933 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 23 14.532 1.762 0.443 0.484 0.909 0.636 CB 1.362 20 residues pruned to eliminate duplicates Z: 11 13.348 1.539 0.696 0.895 1.000 0.700 CA 1.159 11 residues pruned to eliminate duplicates Z: 23 14.656 1.730 0.625 0.489 0.955 0.591 CB 1.178 23 residues pruned to eliminate duplicates Z: 12 5.212 1.674 0.507 0.351 0.636 0.455 CB 1.150 12 residues pruned to eliminate duplicates Z: 27 12.184 1.836 0.545 0.396 0.769 0.423 CB 1.221 27 residues pruned to eliminate duplicates Z: 14 6.893 1.655 0.641 0.394 0.692 0.538 CB 1.138 14 residues pruned to eliminate duplicates Z: 8 4.890 1.624 0.379 0.394 0.714 0.286 N 1.292 8 residues pruned to eliminate duplicates Z: 10 9.589 1.801 0.304 0.785 1.000 1.000 CB 1.059 10 residues pruned to eliminate duplicates Z: 27 12.836 1.896 0.422 0.411 0.846 0.500 CB 1.212 27 residues pruned to eliminate duplicates Z: 32 13.538 1.862 0.402 0.452 0.871 0.613 CB 1.123 22 residues pruned to eliminate duplicates Z: 9 10.199 1.842 0.170 0.905 1.000 1.000 CB 1.191 9 residues pruned to eliminate duplicates Z: 37 13.279 1.800 0.463 0.441 0.861 0.528 CB 1.038 37 residues pruned to eliminate duplicates Z: 23 11.626 1.953 0.305 0.442 0.955 0.409 CB 1.081 23 residues pruned to eliminate duplicates Z: 30 16.242 1.910 0.540 0.454 0.931 0.517 CB 1.155 31 residues pruned to eliminate duplicates Z: 7 5.972 1.904 0.300 0.874 1.000 0.833 CB 0.717 7 residues pruned to eliminate duplicates Z: 26 12.562 1.965 0.476 0.431 0.880 0.560 CB 1.057 26 residues pruned to eliminate duplicates Z: 26 12.981 1.940 0.458 0.399 0.920 0.480 CB 1.110 26 residues pruned to eliminate duplicates Z: 26 11.346 1.894 0.496 0.435 0.840 0.520 CB 1.020 26 residues pruned to eliminate duplicates Z: 37 12.520 1.788 0.497 0.415 0.806 0.528 CB 1.057 37 residues pruned to eliminate duplicates Z: 47 15.003 1.786 0.489 0.418 0.848 0.609 CB 1.069 47 residues pruned to eliminate duplicates Z: 48 15.760 1.813 0.458 0.416 0.872 0.574 CB 1.088 48 residues pruned to eliminate duplicates Z: 48 15.519 1.799 0.477 0.435 0.872 0.574 CB 1.045 48 residues pruned to eliminate duplicates Z: 34 13.961 1.888 0.473 0.386 0.909 0.606 CB 1.085 34 residues pruned to eliminate duplicates Z: 17 11.591 1.885 0.600 0.464 0.812 0.750 CB 1.226 17 residues pruned to eliminate duplicates Z: 31 13.659 1.892 0.486 0.460 0.867 0.500 CB 1.067 31 residues pruned to eliminate duplicates Z: 16 10.669 1.876 0.308 0.522 0.933 0.600 CB 1.176 16 residues pruned to eliminate duplicates Z: 10 6.571 1.915 0.364 0.405 0.889 0.556 CB 1.043 10 residues pruned to eliminate duplicates Z: 15 7.455 1.866 0.227 0.277 0.857 0.214 CB 1.306 15 residues pruned to eliminate duplicates Z: 13 4.834 1.850 0.070 0.241 0.833 0.167 CB 1.141 13 residues pruned to eliminate duplicates Z: 11 8.987 2.034 0.227 0.405 1.000 0.300 CB 1.259 11 residues pruned to eliminate duplicates Z: 41 12.298 1.778 0.320 0.439 0.800 0.525 CB 1.102 41 residues pruned to eliminate duplicates Z: 17 8.137 1.800 0.241 0.329 1.000 0.312 CB 1.099 17 residues pruned to eliminate duplicates Z: 18 10.779 1.782 0.477 0.402 0.941 0.588 CB 1.170 18 residues pruned to eliminate duplicates Z: 6 5.565 1.666 0.459 0.414 1.000 0.600 CA 1.120 6 residues pruned to eliminate duplicates Z: 28 19.117 1.935 0.624 0.495 0.852 0.556 CA 1.381 28 residues pruned to eliminate duplicates Z: 16 15.111 2.013 0.661 0.442 0.867 0.667 CB 1.429 16 residues pruned to eliminate duplicates Z: 25 13.491 1.862 0.569 0.361 0.792 0.583 CB 1.383 25 residues pruned to eliminate duplicates Z: 30 21.469 1.887 0.717 0.564 0.897 0.793 CB 1.291 30 residues pruned to eliminate duplicates Z: 23 18.635 1.940 0.625 0.432 0.909 0.500 CB 1.487 29 residues pruned to eliminate duplicates Z: 7 5.076 1.776 0.669 0.514 0.833 0.500 CB 0.827 7 residues pruned to eliminate duplicates Z: 8 2.696 1.701 0.321 0.457 0.714 0.429 CB 0.663 Z: 8 7.499 1.479 0.855 0.786 1.000 0.714 CB 0.803 8 residues pruned to eliminate duplicates Z: 7 8.392 1.577 0.485 0.869 1.000 0.833 CB 1.068 8 residues pruned to eliminate duplicates Z: 6 6.140 1.559 0.457 0.812 0.800 0.800 CB 1.152 6 residues pruned to eliminate duplicates Z: 31 19.217 1.911 0.540 0.560 0.900 0.667 CB 1.249 38 residues pruned to eliminate duplicates Z: 29 22.525 1.973 0.517 0.575 0.964 0.714 CB 1.373 29 residues pruned to eliminate duplicates Z: 28 25.496 1.986 0.639 0.630 0.926 0.741 CA 1.441 28 residues pruned to eliminate duplicates Z: 18 18.941 1.842 0.636 0.755 0.941 0.647 CB 1.290 18 residues pruned to eliminate duplicates Z: 16 14.785 1.817 0.790 0.638 0.800 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 41 30.035 2.002 0.606 0.556 0.950 0.700 CA 1.472 41 residues pruned to eliminate duplicates Z: 36 25.195 1.902 0.668 0.547 0.886 0.686 CA 1.447 36 residues pruned to eliminate duplicates Z: 45 31.214 2.012 0.647 0.561 0.932 0.727 CB 1.436 55 residues pruned to eliminate duplicates Z: 18 29.820 2.006 0.904 0.864 1.000 0.765 CA 1.389 18 residues pruned to eliminate duplicates Z: 42 23.701 1.902 0.662 0.515 0.878 0.585 CB 1.314 42 residues pruned to eliminate duplicates Z: 31 30.522 1.930 0.776 0.637 1.000 0.767 CB 1.430 31 residues pruned to eliminate duplicates Z: 41 38.375 1.991 0.760 0.633 1.000 0.700 CB 1.528 43 residues pruned to eliminate duplicates Z: 20 23.761 1.901 0.923 0.835 0.947 0.789 CA 1.178 20 residues pruned to eliminate duplicates Z: 33 28.758 1.938 0.726 0.585 0.938 0.688 CB 1.495 33 residues pruned to eliminate duplicates Z: 65 27.030 1.876 0.613 0.461 0.859 0.562 CB 1.352 65 residues pruned to eliminate duplicates Z: 43 34.371 2.001 0.735 0.571 0.929 0.714 CA 1.537 43 residues pruned to eliminate duplicates Z: 36 26.390 1.939 0.696 0.556 0.914 0.657 CB 1.405 36 residues pruned to eliminate duplicates Z: 35 25.872 1.887 0.691 0.569 0.912 0.706 CA 1.426 35 residues pruned to eliminate duplicates Z: 56 28.843 1.929 0.649 0.480 0.891 0.564 CB 1.401 56 residues pruned to eliminate duplicates Z: 38 27.368 1.948 0.686 0.571 0.892 0.676 CB 1.435 38 residues pruned to eliminate duplicates Z: 32 25.546 1.957 0.686 0.577 0.903 0.774 CA 1.430 32 residues pruned to eliminate duplicates Z: 34 29.338 1.948 0.711 0.625 0.939 0.545 CB 1.451 34 residues pruned to eliminate duplicates Z: 51 28.069 1.945 0.601 0.497 0.900 0.540 CB 1.421 51 residues pruned to eliminate duplicates Z: 41 32.736 2.039 0.653 0.570 0.925 0.625 CA 1.552 41 residues pruned to eliminate duplicates Z: 39 33.606 2.046 0.716 0.596 0.921 0.632 CB 1.538 39 residues pruned to eliminate duplicates Z: 6 3.471 1.210 0.818 0.434 1.000 0.200 O 0.755 6 residues pruned to eliminate duplicates Z: 19 21.786 1.979 0.777 0.539 0.889 0.611 CA 1.581 19 residues pruned to eliminate duplicates Z: 37 28.407 2.056 0.755 0.607 0.889 0.694 CB 1.333 37 residues pruned to eliminate duplicates Z: 24 23.931 2.026 0.763 0.555 0.870 0.609 CB 1.522 24 residues pruned to eliminate duplicates Z: 13 21.876 2.053 0.734 0.618 0.917 0.583 CA 1.732 13 residues pruned to eliminate duplicates Z: 36 23.356 2.036 0.484 0.580 0.914 0.714 CB 1.323 36 residues pruned to eliminate duplicates Z: 13 21.456 2.142 0.834 0.675 0.833 0.583 CB 1.611 13 residues pruned to eliminate duplicates Z: 37 24.938 2.036 0.686 0.534 0.889 0.528 CB 1.317 37 residues pruned to eliminate duplicates Z: 26 20.119 1.958 0.654 0.539 0.840 0.520 CB 1.424 26 residues pruned to eliminate duplicates Z: 38 31.144 2.063 0.784 0.635 0.919 0.622 CB 1.334 38 residues pruned to eliminate duplicates Z: 70 38.613 1.986 0.651 0.568 0.928 0.594 CB 1.430 70 residues pruned to eliminate duplicates Z: 39 24.822 1.982 0.634 0.568 0.895 0.526 CB 1.301 39 residues pruned to eliminate duplicates Z: 51 31.465 1.960 0.599 0.627 0.900 0.700 CB 1.401 51 residues pruned to eliminate duplicates Z: 27 26.749 2.029 0.634 0.615 0.923 0.462 CB 1.537 27 residues pruned to eliminate duplicates Z: 44 22.503 1.944 0.548 0.548 0.837 0.558 CB 1.300 44 residues pruned to eliminate duplicates Z: 37 26.398 2.015 0.540 0.607 0.917 0.639 CB 1.397 37 residues pruned to eliminate duplicates Z: 12 11.915 1.826 0.536 0.520 0.818 0.455 CB 1.535 12 residues pruned to eliminate duplicates Z: 21 15.331 1.910 0.541 0.645 0.950 0.550 CB 1.071 21 residues pruned to eliminate duplicates Z: 28 25.097 2.016 0.640 0.583 0.889 0.556 CB 1.517 28 residues pruned to eliminate duplicates Z: 20 19.281 1.965 0.599 0.669 0.947 0.579 CB 1.271 20 residues pruned to eliminate duplicates Z: 21 16.930 1.938 0.729 0.646 0.900 0.700 CB 1.095 21 residues pruned to eliminate duplicates Z: 75 34.300 1.979 0.555 0.591 0.892 0.689 CB 1.332 75 residues pruned to eliminate duplicates Z: 37 32.540 2.051 0.628 0.675 0.972 0.667 CB 1.422 37 residues pruned to eliminate duplicates Z: 19 18.867 1.997 0.552 0.700 0.944 0.611 CB 1.266 19 residues pruned to eliminate duplicates Z: 25 20.413 1.935 0.788 0.566 0.917 0.667 CB 1.232 25 residues pruned to eliminate duplicates Z: 19 22.890 2.014 0.755 0.745 1.000 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 21 19.696 1.938 0.737 0.707 0.950 0.750 CB 1.141 21 residues pruned to eliminate duplicates Z: 33 28.497 2.011 0.715 0.613 0.938 0.594 CB 1.400 33 residues pruned to eliminate duplicates Z: 22 17.335 1.919 0.516 0.666 0.952 0.571 CB 1.171 22 residues pruned to eliminate duplicates Z: 32 25.239 1.968 0.633 0.588 0.903 0.645 CB 1.434 32 residues pruned to eliminate duplicates Z: 39 26.424 1.977 0.699 0.567 0.842 0.579 CB 1.419 39 residues pruned to eliminate duplicates Z: 33 25.372 2.016 0.660 0.640 0.906 0.688 CB 1.297 33 residues pruned to eliminate duplicates Z: 20 17.011 1.964 0.607 0.683 0.947 0.684 CB 1.103 20 residues pruned to eliminate duplicates Z: 23 21.496 2.022 0.691 0.666 0.909 0.727 CB 1.264 23 residues pruned to eliminate duplicates Z: 54 29.642 1.993 0.524 0.646 0.962 0.698 CB 1.215 53 residues pruned to eliminate duplicates Z: 6 4.430 1.489 0.220 0.489 1.000 1.000 N 1.103 6 residues pruned to eliminate duplicates Z: 35 21.897 1.964 0.590 0.645 0.941 0.676 CB 1.116 35 residues pruned to eliminate duplicates Z: 36 26.208 1.951 0.679 0.719 0.914 0.857 CB 1.213 36 residues pruned to eliminate duplicates Z: 36 24.595 1.940 0.617 0.687 0.971 0.800 CB 1.149 35 residues pruned to eliminate duplicates Z: 7 6.389 1.738 0.401 0.544 1.000 0.833 CB 1.025 7 residues pruned to eliminate duplicates Z: 34 24.587 1.993 0.566 0.700 0.939 0.818 CB 1.217 34 residues pruned to eliminate duplicates Z: 34 24.022 1.996 0.550 0.699 0.939 0.788 CB 1.200 34 residues pruned to eliminate duplicates Z: 34 23.647 1.965 0.561 0.676 0.970 0.788 CB 1.176 34 residues pruned to eliminate duplicates Z: 34 26.736 1.997 0.555 0.723 1.000 0.818 CB 1.225 35 residues pruned to eliminate duplicates Z: 22 22.157 1.979 0.562 0.768 1.000 0.810 CB 1.233 22 residues pruned to eliminate duplicates Z: 30 25.033 1.991 0.550 0.712 0.966 0.828 CB 1.288 30 residues pruned to eliminate duplicates Z: 32 22.143 1.975 0.568 0.665 0.968 0.710 CB 1.138 32 residues pruned to eliminate duplicates Z: 35 25.611 1.969 0.663 0.699 0.971 0.824 CB 1.152 35 residues pruned to eliminate duplicates Z: 30 24.475 1.972 0.605 0.693 1.000 0.828 CB 1.204 30 residues pruned to eliminate duplicates Z: 33 24.731 1.987 0.578 0.704 0.969 0.844 CB 1.196 33 residues pruned to eliminate duplicates Z: 34 21.683 1.943 0.619 0.658 0.909 0.758 CB 1.139 34 residues pruned to eliminate duplicates Z: 37 24.401 1.912 0.604 0.668 0.972 0.778 CB 1.168 37 residues pruned to eliminate duplicates Z: 34 25.048 1.995 0.645 0.684 0.970 0.818 CB 1.157 34 residues pruned to eliminate duplicates Z: 32 25.252 1.973 0.800 0.697 0.935 0.742 CB 1.140 32 residues pruned to eliminate duplicates Z: 34 23.490 1.985 0.548 0.679 0.970 0.758 CB 1.164 34 residues pruned to eliminate duplicates Z: 35 27.943 1.984 0.771 0.710 0.971 0.853 CB 1.161 35 residues pruned to eliminate duplicates Z: 35 27.488 1.975 0.812 0.699 0.941 0.676 CB 1.168 34 residues pruned to eliminate duplicates Z: 17 23.280 2.027 1.023 0.868 0.938 0.750 CB 1.106 18 residues pruned to eliminate duplicates Z: 17 22.648 2.048 0.776 0.867 0.938 0.875 CB 1.215 17 residues pruned to eliminate duplicates Z: 33 25.112 1.999 0.650 0.716 0.938 0.781 CB 1.180 33 residues pruned to eliminate duplicates Z: 35 26.530 1.969 0.644 0.726 0.971 0.824 CB 1.181 35 residues pruned to eliminate duplicates Z: 18 11.000 1.661 0.661 0.492 0.765 0.235 CB 1.274 18 residues pruned to eliminate duplicates Z: 11 6.844 1.668 0.395 0.311 0.900 0.300 O 1.274 9 residues pruned to eliminate duplicates Z: 7 4.609 1.482 0.409 0.456 0.833 0.500 CA 1.131 7 residues pruned to eliminate duplicates Z: 10 6.570 1.756 0.392 0.337 0.778 0.444 CB 1.377 10 residues pruned to eliminate duplicates Z: 16 10.605 1.691 0.490 0.478 0.867 0.267 CB 1.282 25 residues pruned to eliminate duplicates Z: 11 14.037 1.600 0.790 0.705 1.000 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 11 8.088 1.478 0.603 0.701 1.000 0.500 CB 0.900 11 residues pruned to eliminate duplicates Z: 16 13.167 1.773 0.525 0.497 0.867 0.333 CB 1.455 15 residues pruned to eliminate duplicates Z: 8 11.757 1.691 0.543 0.830 1.000 0.143 CB 1.280 8 residues pruned to eliminate duplicates Z: 8 11.661 1.653 0.536 0.865 1.000 0.286 CB 1.272 8 residues pruned to eliminate duplicates Z: 15 11.813 1.710 0.518 0.515 0.857 0.214 CB 1.398 15 residues pruned to eliminate duplicates Z: 11 11.361 1.669 0.488 0.649 0.900 0.600 CA 1.400 11 residues pruned to eliminate duplicates Z: 14 15.232 1.795 0.663 0.565 0.923 0.308 CB 1.440 14 residues pruned to eliminate duplicates Z: 15 17.175 1.733 0.766 0.600 0.929 0.357 CB 1.468 15 residues pruned to eliminate duplicates 687 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 6 D: 15 E: 8 F: 85 G: 18 H: 6 I: 27 J: 36 K: 91 L: 139 M: 25 N: 11 O: 18 P: 60 Q: 113 R: 16 CC for partial structure against native data = 36.96 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.496, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.566, Connect. = 0.741 for dens.mod. cycle 2 = 0.301, Contrast = 0.667, Connect. = 0.770 for dens.mod. cycle 3 = 0.301, Contrast = 0.675, Connect. = 0.771 for dens.mod. cycle 4 = 0.301, Contrast = 0.685, Connect. = 0.772 for dens.mod. cycle 5 = 0.301, Contrast = 0.688, Connect. = 0.774 for dens.mod. cycle 6 = 0.301, Contrast = 0.692, Connect. = 0.775 for dens.mod. cycle 7 = 0.301, Contrast = 0.693, Connect. = 0.776 for dens.mod. cycle 8 = 0.301, Contrast = 0.694, Connect. = 0.777 for dens.mod. cycle 9 = 0.301, Contrast = 0.695, Connect. = 0.778 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.09 - 4.02 - 3.51 - 3.18 - 2.95 - 2.77 - 2.63 - 2.51 - 2.42 - 2.32 0.721 0.785 0.744 0.700 0.680 0.649 0.607 0.564 0.559 0.523 0.830 0.900 0.861 0.823 0.805 0.769 0.716 0.675 0.679 0.637 N 4490 4524 4445 4567 4474 4595 4503 4673 4142 4381 Estimated mean FOM = 0.654 Pseudo-free CC = 67.51 % Best trace (cycle 2 with CC 38.75%) was saved as ./1vl4-2.3-parrot-mrncs/1vl4-2.3-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 5.6 - FFTs and peak-searches 20.2 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 882.1 - Tripeptide search 8998.9 - Chain tracing 0.0 - NCS analysis 58.1 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:34:55 Total time: 9966.28 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 167.04 Used memory is bytes: 14184120