++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:13:11 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: ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.ins Phases from ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.phi Native data from ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.hkl Listing output to ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.lst Phases output to ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.phs Poly-Ala trace output to ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 65 Allowed origin shift code: 8 47205 Reflections read from file ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.phi 47205 Reflections read from file ./1vl6-2.8-parrot-hancs/1vl6-2.8-parrot-hancs.hkl 47205 Unique data, highest resolution = 2.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000117h^2 +0.000117k^2 -0.000105l^2 +0.000000kl +0.000000hl +0.000117hk 34 Reflections with d > 3.000 and 0 in range 3.000 > d > 2.800 added Density sharpening factor set to 0.00 Fourier grid = 256 x 256 x 30 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.759 = 0.300, Contrast = 0.582, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.640, Connect. = 0.733 for dens.mod. cycle 2 = 0.300, Contrast = 0.736, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.766, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.784, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.794, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.799, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.802, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.803, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.803, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3431 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 1080 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 18.872 1.890 0.753 0.400 0.815 0.519 CB 1.495 B: 6 5.209 1.700 1.144 0.316 0.600 0.400 CB 1.305 C: 9 8.235 1.627 1.131 0.355 0.750 0.500 N 1.310 9 residues pruned to eliminate duplicates D: 8 10.943 1.869 0.969 0.698 0.714 0.714 CB 1.314 8 residues pruned to eliminate duplicates E: 24 28.286 1.908 0.700 0.862 0.957 0.783 CB 1.396 F: 19 29.905 1.941 0.811 0.949 1.000 1.000 CB 1.383 19 residues pruned to eliminate duplicates G: 32 25.118 1.902 0.967 0.706 0.774 0.419 CB 1.292 20 residues pruned to eliminate duplicates H: 16 14.186 1.814 1.029 0.488 0.800 0.467 CB 1.259 14 residues pruned to eliminate duplicates I: 14 9.187 1.869 0.578 0.372 0.769 0.385 CB 1.289 12 residues pruned to eliminate duplicates J: 19 5.712 1.762 0.201 0.264 0.611 0.444 CB 1.363 K: 17 7.978 1.868 0.157 0.294 0.812 0.500 CB 1.430 L: 16 34.970 1.945 1.119 0.912 1.000 0.867 CB 1.551 M: 24 15.032 1.930 0.626 0.468 0.826 0.478 CB 1.248 12 residues pruned to eliminate duplicates N: 16 15.122 1.769 0.786 0.851 0.867 0.867 CB 1.056 6 1.390 1.777 -0.192 0.346 0.400 0.400 CB 1.280 ? O: 10 14.774 1.762 0.871 0.831 0.889 0.667 CB 1.263 12 residues pruned to eliminate duplicates P: 24 26.506 1.779 0.775 0.849 0.957 0.783 CB 1.356 Q: 31 30.110 1.891 1.085 0.737 0.800 0.467 CB 1.410 33 residues pruned to eliminate duplicates R: 14 11.404 1.872 0.681 0.800 0.923 0.692 CB 0.838 S: 16 26.221 1.767 0.985 0.867 0.933 0.733 CB 1.512 T: 19 16.913 1.784 1.029 0.615 0.944 0.611 CB 1.046 19 residues pruned to eliminate duplicates U: 17 11.098 1.806 0.716 0.296 0.812 0.625 CB 1.385 19 residues pruned to eliminate duplicates V: 23 29.314 1.952 0.719 0.916 1.000 0.909 CB 1.316 23 residues pruned to eliminate duplicates W: 18 12.436 1.843 0.724 0.372 0.824 0.647 CB 1.323 8 residues pruned to eliminate duplicates X: 13 9.539 1.695 0.587 0.909 1.000 0.833 CB 0.726 Y: 16 9.462 1.784 0.853 0.347 0.733 0.267 CB 1.189 16 residues pruned to eliminate duplicates Z: 21 30.250 1.778 0.925 0.900 1.000 0.900 CB 1.412 24 residues pruned to eliminate duplicates Z: 25 30.953 1.853 0.704 0.918 1.000 0.917 O 1.411 24 residues pruned to eliminate duplicates Z: 8 7.710 1.772 0.515 0.825 0.714 0.571 CB 1.146 Z: 15 12.195 1.705 0.497 0.917 1.000 1.000 CB 0.902 13 residues pruned to eliminate duplicates Z: 11 7.767 1.820 0.320 0.453 0.800 0.400 CB 1.341 10 residues pruned to eliminate duplicates Z: 15 13.978 1.606 0.614 0.800 0.857 0.714 CB 1.293 Z: 20 31.404 1.927 0.770 0.901 1.000 1.000 CB 1.508 20 residues pruned to eliminate duplicates Z: 10 11.570 1.847 0.838 0.491 0.778 0.667 CB 1.474 Z: 7 4.562 1.741 0.634 0.390 0.667 0.500 CB 1.103 Z: 15 14.252 1.611 0.571 0.810 0.929 0.643 O 1.237 Z: 21 24.562 1.827 0.647 0.887 0.950 0.800 O 1.385 21 residues pruned to eliminate duplicates Z: 21 25.655 1.879 0.716 0.898 0.950 0.850 CB 1.339 21 residues pruned to eliminate duplicates Z: 12 16.104 1.790 0.673 0.843 0.909 0.818 CB 1.329 12 residues pruned to eliminate duplicates Z: 18 21.271 1.781 0.614 0.813 0.941 0.647 N 1.453 Z: 6 10.793 1.646 1.193 0.724 1.000 0.600 CB 1.092 Z: 11 6.877 1.624 0.597 0.662 0.800 0.600 CB 0.902 Z: 9 7.438 1.693 0.653 0.356 0.875 0.375 CB 1.254 Z: 25 29.788 1.866 0.874 0.896 0.917 0.542 CB 1.359 25 residues pruned to eliminate duplicates Z: 15 25.723 1.917 0.813 0.931 1.000 0.929 CB 1.382 Z: 20 16.278 1.708 0.787 0.610 0.842 0.737 CB 1.309 14 residues pruned to eliminate duplicates Z: 14 17.753 1.714 0.834 0.904 1.000 0.846 CB 1.116 Z: 6 5.569 1.951 0.217 0.816 1.000 0.600 CB 0.797 Z: 8 11.070 1.636 0.999 0.725 0.857 0.714 CB 1.218 9 residues pruned to eliminate duplicates Z: 8 6.392 1.659 0.425 0.543 0.857 0.429 CB 1.143 8 residues pruned to eliminate duplicates Z: 28 14.918 1.711 0.726 0.454 0.815 0.593 CB 1.251 6 residues pruned to eliminate duplicates Z: 7 2.286 1.694 0.384 0.358 0.667 0.500 CB 0.697 Z: 17 25.559 1.767 0.764 0.897 1.000 0.938 O 1.467 Z: 15 16.283 1.839 0.671 0.922 0.857 0.857 O 1.162 15 residues pruned to eliminate duplicates Z: 13 22.955 1.799 1.127 0.884 0.917 0.750 CB 1.365 13 residues pruned to eliminate duplicates Z: 10 16.359 1.781 0.889 0.857 0.889 0.667 O 1.344 Z: 16 28.742 1.874 1.140 0.915 1.000 0.600 CB 1.307 16 residues pruned to eliminate duplicates Z: 19 12.241 1.667 0.739 0.860 1.000 0.667 CB 0.732 19 residues pruned to eliminate duplicates Z: 6 2.181 1.395 0.441 0.486 0.600 0.600 N 0.821 Z: 7 17.884 1.730 1.382 0.756 1.000 1.000 N 1.411 7 residues pruned to eliminate duplicates Z: 23 18.624 1.794 0.943 0.563 0.727 0.545 O 1.473 25 residues pruned to eliminate duplicates Z: 15 22.310 1.893 0.662 0.897 1.000 0.857 CB 1.357 15 residues pruned to eliminate duplicates Z: 16 32.715 1.939 1.151 0.889 1.000 0.800 CB 1.458 16 residues pruned to eliminate duplicates Z: 14 20.013 1.796 0.720 0.912 1.000 0.923 CB 1.272 10 residues pruned to eliminate duplicates Z: 13 25.913 1.926 1.113 0.938 0.833 0.250 CB 1.535 13 residues pruned to eliminate duplicates Z: 24 27.397 1.826 0.748 0.889 1.000 0.783 CB 1.289 24 residues pruned to eliminate duplicates Z: 16 15.102 1.841 0.734 0.519 0.867 0.333 CB 1.384 Z: 14 9.067 1.645 0.574 0.748 0.923 0.615 CB 0.843 Z: 8 5.135 1.767 0.344 0.389 0.714 0.286 CB 1.287 Z: 21 27.510 1.809 0.803 0.912 1.000 0.750 CB 1.336 21 residues pruned to eliminate duplicates Z: 17 28.622 1.887 0.950 0.888 0.938 0.938 O 1.495 17 residues pruned to eliminate duplicates Z: 16 12.745 1.587 0.579 0.798 0.933 0.733 O 1.084 Z: 7 6.272 1.399 0.435 0.814 1.000 0.667 O 0.971 6 residues pruned to eliminate duplicates Z: 10 6.421 1.633 0.300 0.358 0.889 0.444 CB 1.322 Z: 13 17.381 1.662 0.842 0.899 1.000 0.833 CB 1.171 Z: 22 9.486 1.784 0.461 0.594 0.762 0.476 CB 0.952 32 residues pruned to eliminate duplicates Z: 9 10.509 1.619 0.853 0.424 1.000 0.625 CB 1.340 Z: 16 19.031 1.754 0.710 0.896 1.000 0.800 CB 1.174 16 residues pruned to eliminate duplicates Z: 9 15.226 1.755 0.732 0.864 1.000 0.875 O 1.299 9 residues pruned to eliminate duplicates Z: 16 15.664 1.699 0.610 0.788 0.867 0.600 CB 1.325 16 residues pruned to eliminate duplicates Z: 8 4.760 1.696 0.597 0.657 0.857 0.714 CB 0.670 Z: 24 28.226 1.806 0.724 0.858 1.000 0.870 CB 1.392 24 residues pruned to eliminate duplicates Z: 15 19.439 1.752 0.774 0.899 1.000 0.857 CB 1.195 14 residues pruned to eliminate duplicates Z: 16 19.819 1.788 0.822 0.837 1.000 0.867 CB 1.175 15 residues pruned to eliminate duplicates Z: 16 32.292 1.928 1.130 0.905 1.000 0.800 CB 1.444 16 residues pruned to eliminate duplicates Z: 11 4.634 1.599 0.689 0.229 0.700 0.400 N 1.063 Z: 14 8.350 1.619 0.484 0.849 1.000 0.923 CB 0.714 11 residues pruned to eliminate duplicates Z: 6 2.859 1.610 -0.049 0.462 0.800 0.600 CB 1.085 Z: 15 18.199 1.866 0.502 0.923 1.000 1.000 CB 1.219 15 residues pruned to eliminate duplicates Z: 24 31.485 1.885 0.883 0.919 1.000 0.826 CB 1.304 24 residues pruned to eliminate duplicates Z: 13 6.872 1.595 0.624 0.447 0.833 0.583 CB 0.971 Z: 6 5.473 1.528 0.641 0.645 1.000 0.400 CB 0.852 6 residues pruned to eliminate duplicates Z: 8 12.236 1.683 0.591 0.801 1.000 0.714 CB 1.327 Z: 15 24.289 1.877 0.806 0.873 1.000 0.714 CB 1.395 15 residues pruned to eliminate duplicates Z: 17 13.244 1.866 0.897 0.451 0.875 0.500 CB 1.124 14 residues pruned to eliminate duplicates Z: 8 4.732 1.557 0.482 0.286 0.857 0.143 CB 1.150 Z: 12 9.140 1.715 0.599 0.399 0.818 0.364 CB 1.366 12 residues pruned to eliminate duplicates Z: 6 3.037 1.590 0.462 0.467 0.600 0.600 O 1.007 Z: 17 21.830 1.792 0.756 0.881 0.875 0.500 N 1.435 17 residues pruned to eliminate duplicates Z: 15 14.579 1.755 0.843 0.478 0.857 0.571 CB 1.436 15 residues pruned to eliminate duplicates Z: 7 4.550 1.667 0.384 0.450 0.667 0.333 CB 1.272 Z: 8 6.301 1.723 0.057 0.689 1.000 0.857 CB 1.100 Z: 14 19.041 1.849 0.730 0.875 1.000 0.769 CB 1.201 14 residues pruned to eliminate duplicates Z: 83 31.542 1.835 0.690 0.495 0.878 0.451 CB 1.285 83 residues pruned to eliminate duplicates Z: 16 34.200 1.942 1.241 0.896 1.000 0.800 CB 1.454 16 residues pruned to eliminate duplicates Z: 19 15.368 1.748 0.728 0.534 0.889 0.556 CB 1.304 19 residues pruned to eliminate duplicates Z: 17 29.069 1.766 1.043 0.882 1.000 0.750 CB 1.457 17 residues pruned to eliminate duplicates Z: 35 18.358 1.781 0.559 0.521 0.853 0.353 CB 1.302 24 residues pruned to eliminate duplicates Z: 18 14.078 1.728 0.702 0.776 0.824 0.588 CB 1.105 Z: 10 11.825 1.623 0.580 0.852 1.000 0.778 O 1.137 9 residues pruned to eliminate duplicates Z: 23 29.994 1.899 0.833 0.860 1.000 0.727 CB 1.351 23 residues pruned to eliminate duplicates Z: 8 5.595 1.609 0.451 0.322 0.857 0.429 CB 1.286 Z: 7 6.231 1.800 0.490 0.868 1.000 0.667 CB 0.694 6 residues pruned to eliminate duplicates Z: 15 9.515 1.748 0.863 0.378 0.786 0.571 CB 1.132 7 residues pruned to eliminate duplicates Z: 18 21.393 1.770 1.067 0.841 0.824 0.588 CB 1.285 18 residues pruned to eliminate duplicates Z: 6 9.681 1.656 0.799 0.822 0.800 0.800 O 1.373 Z: 24 27.924 1.783 1.022 0.869 0.913 0.565 CB 1.292 21 residues pruned to eliminate duplicates Z: 12 9.062 1.658 0.476 0.826 0.909 0.818 CB 0.926 Z: 12 8.386 1.492 0.904 0.704 0.636 0.455 N 1.162 12 residues pruned to eliminate duplicates Z: 6 2.959 1.708 0.532 0.582 0.600 0.400 CB 0.779 Z: 12 9.345 1.850 0.773 0.434 0.636 0.455 CB 1.446 14 residues pruned to eliminate duplicates Z: 16 18.653 1.707 0.875 0.714 0.867 0.600 CB 1.431 16 residues pruned to eliminate duplicates 6 1.943 1.789 0.435 0.481 0.400 0.400 CB 0.862 ? Z: 17 18.467 1.666 0.985 0.807 0.812 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 9 16.493 1.714 0.774 0.865 1.000 0.875 CB 1.405 13 residues pruned to eliminate duplicates Z: 19 29.020 1.833 0.856 0.908 1.000 0.778 CB 1.428 20 residues pruned to eliminate duplicates Z: 6 10.576 1.802 0.898 0.738 0.800 0.400 N 1.396 Z: 18 17.258 1.782 0.649 0.828 1.000 0.824 CB 1.072 20 residues pruned to eliminate duplicates Z: 13 21.216 1.826 0.874 0.878 1.000 0.833 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 17.209 1.810 0.687 0.819 1.000 0.750 CB 1.234 13 residues pruned to eliminate duplicates Z: 27 11.493 1.533 0.481 0.557 0.846 0.423 CB 1.110 Z: 15 13.110 1.930 0.820 0.422 0.786 0.286 CB 1.376 15 residues pruned to eliminate duplicates Z: 15 7.200 1.682 0.261 0.478 0.857 0.429 CB 1.082 Z: 6 3.293 1.706 0.565 0.367 0.800 0.600 CB 0.795 Z: 9 17.144 1.800 0.724 0.886 1.000 0.875 O 1.409 9 residues pruned to eliminate duplicates Z: 17 14.050 1.735 0.636 0.742 0.938 0.750 CB 1.063 17 residues pruned to eliminate duplicates Z: 10 5.930 1.706 0.737 0.250 0.667 0.333 CB 1.334 Z: 16 8.641 1.779 0.670 0.257 0.733 0.467 CB 1.353 Z: 19 31.568 1.888 1.028 0.884 0.889 0.722 N 1.580 19 residues pruned to eliminate duplicates Z: 8 12.482 1.818 0.945 0.714 0.714 0.429 CB 1.538 8 residues pruned to eliminate duplicates Z: 8 16.596 1.780 0.751 0.903 1.000 1.000 CB 1.434 Z: 16 18.709 1.709 0.836 0.845 0.933 0.800 CB 1.227 16 residues pruned to eliminate duplicates Z: 14 7.202 1.466 0.692 0.443 0.846 0.538 N 1.010 Z: 10 6.859 1.665 0.347 0.455 0.889 0.444 CB 1.200 Z: 8 2.771 1.639 0.673 0.334 0.571 0.429 CB 0.802 Z: 10 10.933 1.630 0.838 0.840 1.000 0.778 CB 0.908 10 residues pruned to eliminate duplicates Z: 17 8.213 1.827 0.229 0.289 0.750 0.375 N 1.546 17 residues pruned to eliminate duplicates Z: 22 10.995 1.744 0.315 0.412 0.857 0.571 CB 1.338 22 residues pruned to eliminate duplicates Z: 10 4.241 1.687 0.340 0.394 0.778 0.444 CB 0.900 Z: 7 3.371 1.629 0.353 0.239 0.833 0.500 CB 1.014 Z: 7 8.096 1.696 0.625 0.476 0.833 0.667 CB 1.475 Z: 15 16.947 1.676 0.697 0.875 0.929 0.929 CB 1.248 15 residues pruned to eliminate duplicates Z: 13 8.468 1.794 0.201 0.350 1.000 0.500 CB 1.334 13 residues pruned to eliminate duplicates Z: 8 4.829 1.540 0.395 0.712 0.857 0.714 CB 0.818 8 residues pruned to eliminate duplicates Z: 11 5.668 1.476 0.833 0.508 1.000 0.600 CB 0.657 Z: 33 13.158 1.758 0.759 0.340 0.750 0.438 CB 1.194 33 residues pruned to eliminate duplicates Z: 16 6.256 1.676 0.310 0.325 0.667 0.333 CB 1.338 Z: 9 7.080 1.613 0.415 0.395 0.875 0.500 O 1.401 Z: 6 5.436 1.427 0.710 0.485 1.000 0.800 O 1.012 Z: 16 30.240 1.903 1.014 0.876 1.000 0.733 CB 1.481 16 residues pruned to eliminate duplicates Z: 18 16.770 1.697 0.712 0.884 1.000 0.824 CB 1.012 Z: 16 17.679 1.864 0.766 0.506 0.867 0.467 CB 1.590 14 residues pruned to eliminate duplicates Z: 70 33.502 1.840 0.860 0.645 0.797 0.406 CB 1.291 70 residues pruned to eliminate duplicates Z: 10 7.941 1.639 0.785 0.872 0.889 0.667 CB 0.742 10 residues pruned to eliminate duplicates Z: 12 17.664 1.752 0.857 0.926 0.909 0.727 CB 1.263 18 residues pruned to eliminate duplicates Z: 12 6.737 1.581 0.598 0.286 0.818 0.455 CB 1.250 7 residues pruned to eliminate duplicates Z: 7 2.738 1.371 0.567 0.453 0.833 0.500 N 0.655 Z: 20 20.536 1.772 0.847 0.893 0.947 0.947 CB 1.090 20 residues pruned to eliminate duplicates Z: 14 20.713 1.779 0.734 0.861 1.000 0.769 O 1.368 14 residues pruned to eliminate duplicates Z: 46 19.899 1.810 0.697 0.431 0.822 0.578 CB 1.262 42 residues pruned to eliminate duplicates Z: 12 7.543 1.631 0.556 0.489 0.727 0.545 N 1.245 Z: 8 3.578 1.650 0.084 0.313 0.714 0.429 CB 1.303 Z: 11 13.768 1.723 1.184 0.544 0.800 0.600 CB 1.385 18 residues pruned to eliminate duplicates Z: 10 12.607 1.639 0.588 0.731 0.889 0.667 N 1.475 10 residues pruned to eliminate duplicates Z: 10 20.564 1.835 1.105 0.868 0.889 0.667 CB 1.460 10 residues pruned to eliminate duplicates Z: 9 7.466 1.586 0.550 0.740 1.000 0.500 CB 0.866 8 residues pruned to eliminate duplicates Z: 12 5.703 1.329 0.585 0.728 0.818 0.636 CB 0.813 Z: 8 8.004 1.570 0.421 0.777 0.857 0.714 O 1.239 Z: 11 2.639 1.498 0.649 0.150 0.600 0.500 CB 0.866 Z: 14 12.587 1.649 0.706 0.835 0.923 0.692 CB 1.007 13 residues pruned to eliminate duplicates Z: 15 14.605 1.794 0.701 0.781 0.929 0.571 CB 1.075 16 residues pruned to eliminate duplicates Z: 19 12.954 1.877 0.648 0.264 0.944 0.667 CB 1.368 32 residues pruned to eliminate duplicates Z: 7 3.749 1.372 0.690 0.520 0.667 0.500 CB 0.970 Z: 15 22.081 1.844 0.991 0.866 1.000 0.857 CB 1.177 15 residues pruned to eliminate duplicates Z: 10 19.159 1.777 1.105 0.851 1.000 0.556 CB 1.264 10 residues pruned to eliminate duplicates Z: 8 5.073 1.520 0.008 0.660 0.857 0.571 CB 1.258 Z: 7 9.202 1.795 0.317 0.779 1.000 0.833 CB 1.243 7 residues pruned to eliminate duplicates Z: 11 6.520 1.581 0.713 0.755 0.600 0.500 CB 1.012 Z: 24 6.231 1.599 0.466 0.353 0.652 0.565 CB 0.996 Z: 8 9.546 1.480 0.569 0.816 1.000 0.857 N 1.181 9 residues pruned to eliminate duplicates Z: 14 16.009 1.747 0.796 0.868 0.923 0.846 CB 1.120 14 residues pruned to eliminate duplicates Z: 6 5.010 1.492 0.562 0.538 0.800 0.800 CB 1.158 Z: 10 10.678 1.425 0.696 0.734 1.000 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 7 4.522 1.491 0.913 0.234 0.833 0.333 N 1.058 Z: 9 17.650 1.777 1.120 0.850 0.875 0.250 CB 1.402 9 residues pruned to eliminate duplicates Z: 14 17.480 1.720 0.773 0.808 1.000 0.769 CB 1.216 14 residues pruned to eliminate duplicates Z: 11 4.813 1.523 0.456 0.314 0.800 0.500 CB 1.055 7 1.262 1.607 -0.261 0.399 0.833 0.500 CB 0.579 ? Z: 6 3.282 1.475 0.407 0.428 1.000 0.600 CB 0.762 Z: 10 9.238 1.597 0.408 0.738 0.889 0.667 CB 1.245 10 residues pruned to eliminate duplicates Z: 14 10.843 1.577 0.546 0.767 0.846 0.615 CB 1.151 Z: 19 6.323 1.597 0.590 0.309 0.722 0.611 CB 1.004 19 residues pruned to eliminate duplicates Z: 7 6.452 1.484 0.918 0.444 0.833 0.500 O 1.176 Z: 15 21.984 1.851 0.678 0.891 1.000 0.857 CB 1.361 15 residues pruned to eliminate duplicates Z: 14 8.924 1.618 0.334 0.698 0.846 0.692 CB 1.132 14 residues pruned to eliminate duplicates Z: 16 25.095 1.828 0.899 0.830 0.933 0.467 CB 1.503 16 residues pruned to eliminate duplicates Z: 13 13.996 1.684 0.757 0.866 0.917 0.583 CB 1.091 13 residues pruned to eliminate duplicates Z: 13 10.815 1.453 0.684 0.856 0.917 0.750 CB 1.026 Z: 12 15.822 1.718 0.649 0.821 1.000 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 7 6.303 1.978 0.474 0.199 0.833 0.500 CB 1.515 7 residues pruned to eliminate duplicates Z: 13 18.985 1.849 0.610 0.892 1.000 0.833 CB 1.323 13 residues pruned to eliminate duplicates Z: 15 23.787 1.729 0.830 0.924 1.000 0.857 CB 1.411 14 residues pruned to eliminate duplicates Z: 11 4.600 1.660 0.566 0.259 0.700 0.400 CB 1.054 Z: 7 4.892 1.254 0.684 0.743 0.833 0.500 N 0.913 Z: 16 22.604 1.854 0.994 0.517 0.933 0.467 CB 1.663 17 residues pruned to eliminate duplicates Z: 11 13.352 1.660 0.654 0.686 1.000 0.600 CB 1.297 13 residues pruned to eliminate duplicates Z: 10 10.762 1.445 0.873 0.834 0.889 0.778 CB 1.118 Z: 7 5.287 1.372 0.424 0.746 1.000 0.833 O 0.887 7 residues pruned to eliminate duplicates Z: 18 15.237 1.774 0.719 0.885 0.941 0.765 CB 0.930 18 residues pruned to eliminate duplicates Z: 17 25.277 1.820 0.716 0.929 1.000 1.000 CB 1.415 17 residues pruned to eliminate duplicates Z: 6 6.176 1.492 0.587 0.549 1.000 0.600 O 1.112 6 residues pruned to eliminate duplicates Z: 11 8.648 1.405 0.784 0.713 0.900 0.600 CB 0.999 Z: 7 3.499 1.266 0.701 0.437 1.000 0.500 CB 0.708 Z: 11 8.310 1.676 0.412 0.773 0.900 0.800 CB 0.969 8 residues pruned to eliminate duplicates Z: 12 16.266 1.663 0.886 0.851 0.909 0.636 CB 1.273 12 residues pruned to eliminate duplicates Z: 16 28.730 1.829 1.094 0.911 1.000 0.667 CB 1.372 16 residues pruned to eliminate duplicates 6 1.689 1.532 0.335 0.282 0.600 0.400 CB 0.787 ? Z: 8 6.239 1.508 0.549 0.560 0.857 0.429 CB 1.111 Z: 14 8.223 1.729 0.551 0.390 0.769 0.615 CB 1.242 14 residues pruned to eliminate duplicates Z: 10 8.313 1.488 0.612 0.846 0.778 0.778 CB 1.104 9 residues pruned to eliminate duplicates Z: 11 7.151 1.602 0.515 0.690 0.900 0.600 CB 0.870 9 residues pruned to eliminate duplicates Z: 10 5.554 1.636 0.331 0.393 0.778 0.444 CB 1.224 Z: 9 7.093 1.588 0.190 0.689 0.875 0.625 CB 1.276 Z: 15 9.429 1.821 0.374 0.507 0.714 0.429 CB 1.400 16 residues pruned to eliminate duplicates Z: 6 3.896 1.284 0.669 0.725 0.800 0.400 N 0.829 Z: 8 5.833 1.342 0.527 0.786 1.000 0.714 O 0.836 6 residues pruned to eliminate duplicates Z: 15 15.568 1.772 0.705 0.789 0.857 0.571 CB 1.247 15 residues pruned to eliminate duplicates Z: 19 15.120 1.572 0.679 0.819 0.833 0.611 O 1.228 19 residues pruned to eliminate duplicates Z: 12 7.628 1.492 0.542 0.764 0.727 0.545 O 1.087 Z: 11 10.397 1.630 0.737 0.878 0.900 0.900 CB 0.936 11 residues pruned to eliminate duplicates Z: 7 17.354 1.871 0.784 0.818 1.000 0.833 CB 1.610 7 residues pruned to eliminate duplicates Z: 18 11.869 1.736 0.604 0.519 0.824 0.647 CB 1.232 18 residues pruned to eliminate duplicates Z: 15 7.933 1.690 0.510 0.462 0.714 0.571 CB 1.208 15 residues pruned to eliminate duplicates Z: 10 8.600 1.625 0.836 0.499 0.778 0.333 CB 1.237 9 residues pruned to eliminate duplicates Z: 11 8.109 1.697 0.550 0.661 0.800 0.200 CB 1.050 11 residues pruned to eliminate duplicates Z: 9 12.295 1.661 0.851 0.861 0.875 0.750 CB 1.187 9 residues pruned to eliminate duplicates Z: 8 4.315 1.699 0.902 0.726 0.714 0.429 CB 0.576 Z: 9 2.582 1.453 0.016 0.525 0.750 0.375 N 0.804 Z: 9 10.792 1.607 1.037 0.607 0.875 0.375 N 1.203 9 residues pruned to eliminate duplicates Z: 28 17.053 1.671 0.535 0.503 0.889 0.407 CB 1.436 19 residues pruned to eliminate duplicates Z: 19 31.190 1.927 0.889 0.903 0.944 0.722 CB 1.524 19 residues pruned to eliminate duplicates Z: 12 6.356 1.638 0.378 0.244 0.818 0.455 O 1.396 Z: 36 14.830 1.836 0.476 0.373 0.829 0.543 CB 1.278 36 residues pruned to eliminate duplicates Z: 6 3.380 1.576 0.229 0.359 0.800 0.400 N 1.136 Z: 8 11.420 1.834 0.533 0.798 1.000 0.571 O 1.183 8 residues pruned to eliminate duplicates Z: 10 6.223 1.674 0.593 0.211 0.889 0.444 CB 1.231 Z: 11 12.182 1.624 0.361 0.886 0.900 0.900 CB 1.397 16 residues pruned to eliminate duplicates Z: 10 13.401 1.614 0.665 0.827 1.000 0.889 CB 1.253 Z: 21 11.622 1.762 0.646 0.340 0.750 0.450 CB 1.422 22 residues pruned to eliminate duplicates Z: 11 11.902 1.571 1.075 0.779 0.800 0.700 CB 1.128 11 residues pruned to eliminate duplicates Z: 40 22.107 1.698 0.702 0.551 0.846 0.410 CB 1.377 58 residues pruned to eliminate duplicates Z: 9 15.005 1.808 0.618 0.799 1.000 0.500 CB 1.396 9 residues pruned to eliminate duplicates Z: 12 7.774 1.724 0.870 0.524 0.818 0.636 CB 0.868 Z: 11 12.294 1.667 0.997 0.825 0.700 0.500 CB 1.259 11 residues pruned to eliminate duplicates Z: 17 11.487 1.416 0.714 0.847 0.938 0.562 CB 0.938 12 residues pruned to eliminate duplicates Z: 13 11.548 1.762 0.793 0.819 0.833 0.417 CB 0.960 13 residues pruned to eliminate duplicates Z: 13 8.665 1.744 0.586 0.395 0.667 0.500 CB 1.515 13 residues pruned to eliminate duplicates Z: 10 8.470 1.585 0.460 0.580 0.889 0.556 CB 1.271 Z: 10 4.143 1.389 0.590 0.345 0.778 0.222 N 0.951 Z: 8 12.954 1.872 0.499 0.800 1.000 0.714 CB 1.341 8 residues pruned to eliminate duplicates Z: 8 2.211 1.504 0.619 0.178 0.571 0.429 CB 0.886 Z: 14 4.349 1.460 0.393 0.522 0.923 0.462 CB 0.629 Z: 17 12.302 1.687 1.192 0.474 0.812 0.438 CB 1.051 17 residues pruned to eliminate duplicates Z: 11 10.311 1.663 0.736 0.815 0.900 0.500 CB 0.955 11 residues pruned to eliminate duplicates Z: 24 10.628 1.622 0.803 0.378 0.783 0.478 CB 1.102 18 residues pruned to eliminate duplicates Z: 17 12.323 1.706 0.629 0.514 0.875 0.250 CB 1.249 12 residues pruned to eliminate duplicates Z: 18 20.746 1.768 0.672 0.851 0.941 0.824 O 1.338 18 residues pruned to eliminate duplicates Z: 16 13.312 1.853 0.400 0.537 0.867 0.467 CB 1.474 15 residues pruned to eliminate duplicates Z: 16 7.020 1.601 0.507 0.400 0.667 0.533 O 1.252 10 residues pruned to eliminate duplicates Z: 6 3.686 1.611 1.090 0.766 0.800 0.800 CB 0.483 Z: 15 11.031 1.547 0.563 0.786 0.857 0.571 CB 1.105 Z: 8 9.842 1.600 0.953 0.898 1.000 1.000 CB 0.851 Z: 6 6.638 1.743 0.562 0.852 1.000 1.000 CB 0.806 Z: 9 11.789 1.687 0.700 0.833 0.875 0.875 CB 1.246 9 residues pruned to eliminate duplicates Z: 6 3.361 1.656 0.626 0.277 0.600 0.400 O 1.198 Z: 12 7.188 1.681 0.289 0.308 0.909 0.455 CB 1.362 7 residues pruned to eliminate duplicates Z: 7 6.905 1.732 1.028 0.400 0.833 0.833 CB 1.070 7 residues pruned to eliminate duplicates Z: 8 4.285 1.509 0.760 0.341 0.857 0.571 CB 0.846 Z: 14 13.762 1.769 0.802 0.527 0.846 0.692 CB 1.377 14 residues pruned to eliminate duplicates Z: 34 13.738 1.600 0.497 0.479 0.879 0.424 CB 1.161 33 residues pruned to eliminate duplicates Z: 20 4.868 1.655 0.295 0.278 0.684 0.474 CB 0.979 8 residues pruned to eliminate duplicates Z: 9 10.198 1.746 0.709 0.745 0.750 0.500 CB 1.294 9 residues pruned to eliminate duplicates Z: 15 11.483 1.422 0.598 0.882 0.929 0.714 CB 1.053 Z: 8 4.228 1.441 0.109 0.586 0.857 0.714 CB 1.075 Z: 18 14.622 1.760 0.535 0.815 0.765 0.529 CB 1.305 18 residues pruned to eliminate duplicates Z: 8 5.694 1.593 0.303 0.851 0.857 0.714 CB 0.896 Z: 10 3.871 1.401 0.314 0.475 0.667 0.556 CB 1.079 Z: 10 10.732 1.638 0.767 0.579 1.000 0.667 N 1.146 7 residues pruned to eliminate duplicates Z: 6 9.429 1.804 0.480 0.802 1.000 1.000 CB 1.214 6 residues pruned to eliminate duplicates Z: 9 7.419 1.500 0.730 0.786 0.875 0.625 CB 0.898 Z: 9 7.129 1.606 0.781 0.841 0.875 0.875 CB 0.751 9 residues pruned to eliminate duplicates Z: 22 12.392 1.560 0.751 0.492 0.762 0.381 O 1.310 22 residues pruned to eliminate duplicates Z: 23 16.157 1.822 0.759 0.570 0.818 0.545 CB 1.229 23 residues pruned to eliminate duplicates Z: 10 8.277 1.763 0.399 0.727 0.778 0.333 CB 1.171 10 residues pruned to eliminate duplicates Z: 10 10.276 1.555 0.785 0.709 0.889 0.556 O 1.148 18 residues pruned to eliminate duplicates Z: 11 13.795 1.780 0.502 0.757 1.000 0.600 CB 1.299 11 residues pruned to eliminate duplicates Z: 12 10.014 1.742 0.594 0.828 0.909 0.818 CB 0.901 12 residues pruned to eliminate duplicates Z: 15 26.709 1.768 1.108 0.892 1.000 0.929 CB 1.376 15 residues pruned to eliminate duplicates Z: 15 10.647 1.430 0.698 0.876 0.929 0.786 CB 0.917 14 residues pruned to eliminate duplicates Z: 18 16.626 1.648 0.591 0.836 0.941 0.765 O 1.223 16 residues pruned to eliminate duplicates Z: 7 5.438 1.449 0.372 0.559 1.000 0.833 CB 1.054 Z: 17 11.285 1.475 0.536 0.727 0.875 0.562 CB 1.160 17 residues pruned to eliminate duplicates Z: 17 13.402 1.636 0.764 0.848 0.875 0.688 CB 0.984 17 residues pruned to eliminate duplicates Z: 17 9.046 1.666 0.750 0.428 0.688 0.500 N 1.216 17 residues pruned to eliminate duplicates Z: 15 11.843 1.639 0.620 0.767 0.857 0.571 CB 1.097 15 residues pruned to eliminate duplicates Z: 12 3.681 1.417 -0.008 0.416 0.727 0.273 CB 1.184 Z: 11 3.564 1.546 0.951 0.374 0.600 0.300 CB 0.713 10 residues pruned to eliminate duplicates Z: 8 2.365 1.436 0.501 0.204 0.571 0.571 CB 1.031 Z: 7 6.189 1.327 0.643 0.816 0.833 0.500 CB 1.057 Z: 8 6.338 1.604 0.690 0.728 1.000 0.571 CB 0.720 Z: 13 16.850 1.587 0.999 0.870 0.917 0.750 CB 1.221 6 0.145 1.452 0.056 0.745 1.000 0.800 CB 0.034 ? Z: 7 3.087 1.686 0.239 0.491 0.833 0.667 CB 0.730 7 residues pruned to eliminate duplicates Z: 8 7.096 1.524 0.785 0.784 0.714 0.571 CB 1.075 8 residues pruned to eliminate duplicates Z: 10 11.338 1.669 0.725 0.776 0.889 0.778 CB 1.157 10 residues pruned to eliminate duplicates Z: 15 7.672 1.825 0.428 0.301 0.786 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 10 9.340 1.579 0.817 0.894 1.000 0.778 CB 0.778 8 1.471 1.294 -0.075 0.102 0.714 0.429 CB 1.081 ? Z: 12 10.075 1.594 0.814 0.842 0.818 0.364 CB 0.957 12 residues pruned to eliminate duplicates Z: 17 13.422 1.617 0.841 0.868 0.938 0.500 CB 0.879 17 residues pruned to eliminate duplicates Z: 6 5.593 1.380 0.739 0.668 1.000 0.800 CB 0.892 Z: 8 9.380 1.666 1.112 0.863 1.000 0.857 CB 0.740 8 residues pruned to eliminate duplicates Z: 11 13.542 1.709 0.620 0.801 0.900 0.700 CB 1.321 11 residues pruned to eliminate duplicates Z: 12 16.002 1.655 0.696 0.874 1.000 0.909 CB 1.251 23 residues pruned to eliminate duplicates Z: 14 20.973 1.781 1.049 0.784 0.923 0.538 CB 1.345 14 residues pruned to eliminate duplicates Z: 7 5.026 1.698 0.369 0.556 0.833 0.500 CB 1.003 Z: 6 3.698 1.720 0.601 0.554 0.800 0.600 CB 0.712 Z: 9 3.257 1.455 0.320 0.186 0.750 0.500 N 1.166 Z: 10 7.714 1.459 0.621 0.641 0.778 0.444 N 1.225 Z: 10 11.651 1.707 1.072 0.882 1.000 0.667 CB 0.795 10 residues pruned to eliminate duplicates 6 1.676 1.541 0.296 0.290 0.800 0.600 CB 0.594 ? Z: 11 8.528 1.633 0.518 0.438 1.000 0.600 CB 1.160 10 residues pruned to eliminate duplicates Z: 14 18.673 1.834 0.662 0.891 1.000 0.923 CB 1.221 14 residues pruned to eliminate duplicates Z: 8 8.572 1.666 0.552 0.759 1.000 0.714 CB 0.995 Z: 17 18.765 1.755 1.042 0.533 0.938 0.438 CB 1.352 17 residues pruned to eliminate duplicates Z: 12 6.458 1.506 0.636 0.384 0.818 0.364 N 1.092 Z: 9 7.930 1.608 0.572 0.720 0.750 0.500 CB 1.213 9 residues pruned to eliminate duplicates Z: 7 5.329 1.407 0.512 0.756 0.833 0.667 CB 0.977 Z: 7 4.629 1.425 0.447 0.427 1.000 0.667 N 0.988 Z: 8 9.997 1.596 0.612 0.722 1.000 0.857 CB 1.201 8 residues pruned to eliminate duplicates Z: 9 2.263 1.364 0.091 0.256 0.875 0.500 CB 0.813 Z: 7 3.745 1.463 0.339 0.732 0.833 0.833 CB 0.761 Z: 12 4.693 1.572 0.249 0.373 0.727 0.545 CB 1.136 Z: 10 9.365 1.664 0.634 0.729 0.778 0.667 CB 1.201 10 residues pruned to eliminate duplicates Z: 7 2.681 1.496 0.543 0.240 0.500 0.333 N 1.282 Z: 15 21.717 1.752 1.034 0.864 1.000 0.643 CB 1.194 16 residues pruned to eliminate duplicates Z: 8 10.369 1.509 0.814 0.822 1.000 0.714 O 1.083 8 residues pruned to eliminate duplicates Z: 14 9.448 1.467 0.586 0.822 1.000 0.923 CB 0.852 12 residues pruned to eliminate duplicates Z: 6 6.691 1.483 0.311 0.866 1.000 0.800 N 1.126 Z: 9 6.206 1.698 0.684 0.342 1.000 0.750 CB 0.912 7 residues pruned to eliminate duplicates Z: 7 4.305 1.339 0.696 0.788 1.000 0.667 CB 0.601 7 residues pruned to eliminate duplicates Z: 12 6.767 1.672 0.421 0.315 0.818 0.545 CB 1.288 12 residues pruned to eliminate duplicates Z: 9 12.514 1.643 0.778 0.905 1.000 0.875 CB 1.078 8 residues pruned to eliminate duplicates Z: 14 19.739 1.761 0.808 0.871 1.000 0.769 CB 1.254 14 residues pruned to eliminate duplicates Z: 10 7.555 1.563 0.669 0.662 0.778 0.333 CB 1.068 10 residues pruned to eliminate duplicates Z: 7 4.805 1.542 0.453 0.390 0.833 0.667 CB 1.180 Z: 8 4.735 1.398 0.130 0.567 0.857 0.571 CB 1.239 Z: 11 13.172 1.525 0.805 0.916 1.000 0.800 CB 1.069 Z: 9 5.016 1.213 0.592 0.852 0.875 0.625 N 0.776 9 residues pruned to eliminate duplicates Z: 6 2.206 1.393 0.636 0.180 0.600 0.200 N 1.062 Z: 8 3.980 1.491 0.507 0.449 0.714 0.429 CB 0.987 Z: 17 12.480 1.827 0.437 0.595 0.750 0.500 CB 1.447 17 residues pruned to eliminate duplicates Z: 7 9.712 1.791 0.407 0.819 1.000 0.833 O 1.193 7 residues pruned to eliminate duplicates Z: 13 12.113 1.741 0.534 0.643 0.917 0.583 CB 1.250 13 residues pruned to eliminate duplicates Z: 7 2.562 1.289 0.339 0.345 0.667 0.500 N 1.075 Z: 9 6.544 1.441 0.595 0.558 0.750 0.500 O 1.269 14 residues pruned to eliminate duplicates Z: 8 7.458 1.677 0.104 0.823 1.000 0.857 O 1.150 8 residues pruned to eliminate duplicates Z: 15 12.570 1.780 0.855 0.394 0.929 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 18 19.678 1.766 0.605 0.794 0.941 0.647 O 1.383 18 residues pruned to eliminate duplicates 6 1.261 1.064 0.395 0.282 0.600 0.200 CB 0.810 ? Z: 14 5.239 1.485 0.443 0.298 0.846 0.308 CB 1.004 14 residues pruned to eliminate duplicates Z: 6 2.538 1.444 -0.270 0.546 1.000 0.400 CB 1.029 Z: 8 3.067 1.235 0.998 0.227 0.714 0.429 N 0.905 Z: 7 8.585 1.624 0.623 0.672 0.833 0.500 O 1.362 7 residues pruned to eliminate duplicates Z: 12 6.646 1.566 0.656 0.300 0.818 0.273 CB 1.180 7 residues pruned to eliminate duplicates Z: 7 8.118 1.750 0.573 0.670 0.833 0.333 CB 1.234 7 residues pruned to eliminate duplicates Z: 13 10.975 1.579 0.450 0.881 1.000 0.833 CB 1.002 13 residues pruned to eliminate duplicates Z: 40 20.386 1.833 0.708 0.518 0.821 0.436 CB 1.248 52 residues pruned to eliminate duplicates Z: 6 2.267 1.386 0.712 0.289 0.800 0.600 N 0.677 Z: 9 4.057 1.406 0.409 0.389 0.750 0.625 N 1.086 Z: 8 6.628 1.678 0.605 0.650 0.857 0.571 CB 0.944 8 residues pruned to eliminate duplicates Z: 11 4.075 1.573 0.393 0.281 0.800 0.400 CB 0.942 7 residues pruned to eliminate duplicates Z: 6 4.381 1.528 0.703 0.320 0.800 0.600 CB 1.147 Z: 17 19.503 1.797 0.644 0.725 0.938 0.750 CB 1.438 19 residues pruned to eliminate duplicates Z: 21 11.472 1.722 0.730 0.389 0.700 0.400 CB 1.383 21 residues pruned to eliminate duplicates Z: 8 3.580 1.516 0.753 0.328 0.714 0.571 N 0.861 Z: 21 10.972 1.712 0.466 0.465 0.850 0.550 CB 1.192 21 residues pruned to eliminate duplicates Z: 12 4.047 1.516 0.403 0.281 0.727 0.273 N 1.010 Z: 8 7.422 1.409 1.017 0.841 0.857 0.571 CB 0.859 5 residues pruned to eliminate duplicates Z: 12 8.565 1.567 0.659 0.883 1.000 0.818 CB 0.718 7 residues pruned to eliminate duplicates Z: 13 3.167 1.483 0.623 0.161 0.667 0.333 N 0.863 Z: 20 31.140 1.826 1.430 0.910 0.947 0.421 CB 1.205 20 residues pruned to eliminate duplicates Z: 29 16.350 1.690 0.687 0.616 0.857 0.536 CB 1.133 33 residues pruned to eliminate duplicates Z: 15 13.616 1.519 0.595 0.888 1.000 0.857 O 1.083 14 residues pruned to eliminate duplicates Z: 9 12.159 1.624 0.957 0.855 0.875 0.500 CB 1.140 9 residues pruned to eliminate duplicates Z: 17 4.502 1.558 0.274 0.180 0.812 0.500 CB 1.026 Z: 7 5.986 1.441 0.679 0.743 0.833 0.333 N 0.976 7 residues pruned to eliminate duplicates Z: 12 9.922 1.655 0.895 0.525 1.000 0.727 CB 0.931 Z: 6 3.580 1.452 0.860 0.364 0.600 0.400 N 1.144 Z: 6 2.213 1.566 0.480 0.290 0.600 0.400 CB 0.901 Z: 8 5.852 1.610 0.105 0.558 1.000 0.714 N 1.175 8 residues pruned to eliminate duplicates Z: 7 3.156 1.612 0.672 0.207 0.667 0.333 CB 1.015 Z: 14 7.138 1.720 0.330 0.271 0.846 0.538 O 1.326 14 residues pruned to eliminate duplicates Z: 8 7.908 1.398 0.859 0.801 1.000 0.429 CB 0.884 6 residues pruned to eliminate duplicates Z: 17 5.242 1.724 0.202 0.189 0.812 0.500 CB 1.130 17 residues pruned to eliminate duplicates Z: 13 15.783 1.603 0.728 0.809 1.000 0.750 CB 1.256 14 residues pruned to eliminate duplicates Z: 7 4.398 1.559 0.631 0.696 0.833 0.667 CB 0.709 Z: 10 3.945 1.717 0.296 0.406 0.778 0.556 CB 0.839 Z: 10 4.851 1.346 0.546 0.785 0.889 0.556 CB 0.680 10 residues pruned to eliminate duplicates Z: 11 3.565 1.588 0.265 0.387 0.600 0.500 CB 1.055 Z: 15 10.806 1.875 0.274 0.371 0.929 0.429 CB 1.495 15 residues pruned to eliminate duplicates Z: 6 2.972 1.648 0.292 0.336 0.600 0.400 CB 1.244 Z: 6 5.937 1.360 0.547 0.871 0.800 0.600 N 1.151 7 residues pruned to eliminate duplicates Z: 15 5.314 1.604 0.340 0.314 0.786 0.357 CB 1.033 8 residues pruned to eliminate duplicates Z: 10 7.624 1.505 0.357 0.809 0.889 0.667 CB 1.070 9 residues pruned to eliminate duplicates Z: 12 8.695 1.378 0.552 0.874 1.000 1.000 CB 0.893 Z: 13 8.982 1.583 0.590 0.801 0.833 0.583 CB 0.950 13 residues pruned to eliminate duplicates Z: 6 9.026 1.775 0.831 0.696 0.800 0.400 CB 1.298 6 residues pruned to eliminate duplicates Z: 7 12.034 1.728 0.648 0.737 1.000 0.667 O 1.395 Z: 15 8.349 1.649 0.603 0.499 0.714 0.571 CB 1.182 15 residues pruned to eliminate duplicates Z: 11 4.165 1.438 0.616 0.343 0.800 0.400 CB 0.841 6 residues pruned to eliminate duplicates Z: 14 17.400 1.752 0.664 0.893 0.923 0.615 CB 1.288 14 residues pruned to eliminate duplicates Z: 7 2.265 1.379 0.707 0.262 0.500 0.167 CB 1.031 10 1.977 1.329 0.340 0.441 0.778 0.333 CB 0.506 ? Z: 14 8.035 1.599 0.774 0.445 0.846 0.385 CB 0.983 Z: 7 4.514 1.502 0.499 0.441 0.833 0.667 CB 1.044 Z: 14 9.103 1.748 0.539 0.347 0.923 0.692 CB 1.201 14 residues pruned to eliminate duplicates Z: 10 8.471 1.536 0.491 0.869 1.000 0.889 CB 0.901 10 residues pruned to eliminate duplicates Z: 24 32.178 1.827 0.974 0.901 1.000 0.870 CB 1.329 25 residues pruned to eliminate duplicates Z: 14 12.202 1.697 0.703 0.817 1.000 0.769 CB 0.889 14 residues pruned to eliminate duplicates Z: 10 3.125 1.573 0.416 0.214 0.556 0.333 CB 1.178 10 residues pruned to eliminate duplicates Z: 7 14.003 1.668 0.712 0.884 1.000 0.833 CB 1.446 Z: 15 10.442 1.641 0.531 0.762 0.714 0.357 N 1.233 15 residues pruned to eliminate duplicates Z: 9 4.810 1.551 0.276 0.488 0.875 0.625 CB 0.994 3 residues pruned to eliminate duplicates Z: 7 3.093 1.428 0.761 0.472 0.667 0.167 CB 0.774 6 1.954 1.221 0.774 0.100 0.800 0.400 O 0.840 ? Z: 8 2.122 1.563 -0.196 0.238 0.857 0.714 N 1.009 Z: 6 2.074 1.255 0.307 0.339 0.800 0.400 CB 0.843 Z: 8 9.450 1.837 0.349 0.769 1.000 0.857 CB 1.136 8 residues pruned to eliminate duplicates Z: 9 2.916 1.314 0.666 0.358 0.875 0.500 CB 0.627 Z: 7 4.910 1.708 0.286 0.408 0.833 0.833 CB 1.206 Z: 8 7.759 1.468 0.709 0.738 0.857 0.571 CB 1.102 8 residues pruned to eliminate duplicates Z: 7 2.116 1.204 0.146 0.434 0.833 0.500 N 0.804 Z: 14 6.040 1.421 0.455 0.381 0.846 0.462 CB 1.087 15 residues pruned to eliminate duplicates Z: 8 4.730 1.512 0.502 0.452 0.857 0.286 CB 0.965 Z: 10 11.354 1.598 0.597 0.839 1.000 0.778 CB 1.107 10 residues pruned to eliminate duplicates Z: 11 5.669 1.469 0.110 0.466 1.000 0.500 CB 1.138 Z: 14 8.021 1.611 0.563 0.392 0.769 0.538 O 1.287 14 residues pruned to eliminate duplicates Z: 9 8.298 1.576 0.551 0.752 0.750 0.500 N 1.278 9 residues pruned to eliminate duplicates Z: 24 9.872 1.643 0.313 0.484 0.826 0.609 CB 1.174 21 residues pruned to eliminate duplicates Z: 7 3.391 1.377 0.074 0.540 0.833 0.500 N 1.080 Z: 9 5.358 1.391 0.656 0.509 0.750 0.375 N 1.087 9 residues pruned to eliminate duplicates Z: 8 4.939 1.443 0.943 0.546 0.714 0.429 CB 0.891 Z: 6 4.377 1.407 0.481 0.603 0.800 0.600 CB 1.065 Z: 8 3.743 1.323 0.210 0.545 0.857 0.571 N 0.987 Z: 6 4.340 1.646 0.417 0.275 0.800 0.600 O 1.342 Z: 6 2.538 1.209 0.231 0.443 1.000 0.600 CB 0.809 Z: 10 5.784 1.578 0.856 0.409 0.667 0.333 CB 1.086 Z: 8 4.130 1.370 0.589 0.701 0.714 0.286 CB 0.836 8 residues pruned to eliminate duplicates Z: 29 10.986 1.649 0.557 0.450 0.857 0.464 CB 0.992 51 residues pruned to eliminate duplicates Z: 9 5.618 1.485 0.798 0.654 0.625 0.375 CB 1.031 9 residues pruned to eliminate duplicates Z: 7 3.493 1.385 0.579 0.428 0.833 0.333 CB 0.843 Z: 16 6.725 1.547 0.600 0.337 0.733 0.467 CB 1.144 16 residues pruned to eliminate duplicates Z: 7 2.952 1.228 0.180 0.609 0.833 0.833 N 0.900 Z: 11 5.402 1.602 0.683 0.322 0.800 0.300 CB 0.964 11 residues pruned to eliminate duplicates Z: 9 9.738 1.654 0.926 0.876 1.000 0.875 CB 0.785 8 residues pruned to eliminate duplicates Z: 15 3.770 1.412 0.265 0.466 0.714 0.500 CB 0.818 15 residues pruned to eliminate duplicates Z: 6 5.664 1.640 0.491 0.670 1.000 0.800 CB 0.886 9 residues pruned to eliminate duplicates Z: 6 6.921 1.579 0.584 0.649 1.000 0.600 CB 1.077 6 residues pruned to eliminate duplicates Z: 6 3.846 1.439 0.463 0.296 0.800 0.400 O 1.282 Z: 6 3.179 1.399 0.390 0.282 0.800 0.600 O 1.169 6 residues pruned to eliminate duplicates Z: 6 2.614 1.419 0.522 0.293 0.800 0.200 CB 0.854 Z: 21 6.593 1.562 0.615 0.239 0.700 0.450 N 1.130 21 residues pruned to eliminate duplicates Z: 6 5.463 1.623 0.225 0.468 1.000 0.400 N 1.270 Z: 7 3.041 1.331 0.692 0.347 0.667 0.500 CB 0.977 Z: 15 14.217 1.630 0.578 0.821 0.929 0.714 O 1.204 24 residues pruned to eliminate duplicates Z: 8 9.595 1.568 0.553 0.870 1.000 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 18 11.982 1.625 0.624 0.726 0.882 0.353 CB 1.018 18 residues pruned to eliminate duplicates Z: 8 3.607 1.394 0.630 0.524 0.714 0.571 CB 0.821 8 residues pruned to eliminate duplicates Z: 14 10.194 1.751 0.620 0.437 1.000 0.615 CB 1.063 14 residues pruned to eliminate duplicates Z: 13 12.000 1.578 0.614 0.864 0.917 0.750 CB 1.089 13 residues pruned to eliminate duplicates Z: 7 3.244 1.632 0.078 0.446 0.667 0.333 CB 1.195 6 residues pruned to eliminate duplicates Z: 27 11.452 1.656 0.453 0.428 0.846 0.462 CB 1.189 28 residues pruned to eliminate duplicates Z: 10 10.982 1.615 0.587 0.683 0.889 0.222 N 1.358 Z: 10 5.725 1.555 0.554 0.515 0.778 0.556 CB 1.001 Z: 7 5.363 1.518 0.226 0.698 0.833 0.667 CB 1.179 Z: 6 2.417 1.442 0.541 0.300 0.600 0.400 CB 1.014 Z: 7 3.916 1.478 0.603 0.550 0.667 0.333 CB 0.964 Z: 6 7.122 1.549 0.291 0.836 1.000 0.800 O 1.192 6 residues pruned to eliminate duplicates Z: 12 8.308 1.358 0.713 0.720 0.818 0.273 CB 1.078 Z: 6 5.172 1.560 0.681 0.446 0.800 0.400 O 1.164 Z: 7 4.859 1.556 0.094 0.598 0.833 0.667 N 1.274 7 residues pruned to eliminate duplicates Z: 7 5.635 1.586 0.759 0.238 0.833 0.500 N 1.340 Z: 12 10.218 1.588 0.609 0.667 0.818 0.545 CB 1.263 Z: 17 19.916 1.822 0.615 0.816 1.000 0.812 CB 1.286 17 residues pruned to eliminate duplicates Z: 48 22.423 1.853 0.697 0.465 0.851 0.596 CB 1.266 48 residues pruned to eliminate duplicates Z: 6 6.450 1.367 1.056 0.603 1.000 0.800 CB 0.931 Z: 7 3.752 1.548 0.722 0.234 0.833 0.667 N 0.939 Z: 8 10.194 1.495 0.513 0.877 1.000 0.571 CB 1.237 11 residues pruned to eliminate duplicates Z: 10 16.525 1.775 0.889 0.799 1.000 1.000 CB 1.264 10 residues pruned to eliminate duplicates Z: 8 5.636 1.647 0.516 0.761 1.000 0.429 CB 0.677 8 residues pruned to eliminate duplicates Z: 11 3.855 1.577 0.300 0.345 0.900 0.600 CB 0.782 Z: 6 4.950 1.629 0.494 0.467 0.800 0.800 CB 1.176 Z: 12 5.049 1.469 0.249 0.476 0.909 0.545 CB 0.935 Z: 13 8.125 1.780 0.311 0.439 0.750 0.417 CB 1.427 13 residues pruned to eliminate duplicates Z: 6 10.036 1.679 0.924 0.845 1.000 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 7 2.999 1.484 0.199 0.455 0.833 0.333 N 0.864 Z: 6 3.666 1.349 0.448 0.812 1.000 0.800 CB 0.640 6 residues pruned to eliminate duplicates 6 1.475 1.222 0.472 0.454 1.000 0.800 CB 0.384 ? Z: 6 3.604 1.407 0.601 0.290 0.800 0.400 N 1.131 Z: 11 8.185 1.807 0.616 0.273 0.800 0.500 O 1.434 12 residues pruned to eliminate duplicates Z: 6 3.210 1.568 0.402 0.610 0.800 0.800 CB 0.735 6 residues pruned to eliminate duplicates Z: 6 5.702 1.476 0.895 0.488 0.800 0.800 CB 1.153 Z: 15 7.917 1.550 0.920 0.582 0.643 0.357 N 1.022 15 residues pruned to eliminate duplicates 6 1.818 1.340 0.178 0.377 1.000 0.600 N 0.587 ? Z: 12 4.192 1.368 0.489 0.377 0.818 0.364 N 0.865 7 residues pruned to eliminate duplicates 6 0.233 1.434 0.150 0.294 0.600 0.400 CB 0.133 ? Z: 9 5.473 1.548 0.824 0.299 1.000 0.250 N 0.857 9 residues pruned to eliminate duplicates Z: 11 3.183 1.442 0.373 0.210 0.600 0.400 N 1.193 Z: 6 3.576 1.507 0.185 0.429 1.000 0.400 O 0.963 Z: 6 5.259 1.674 0.771 0.777 0.600 0.400 CB 1.035 Z: 9 3.910 1.644 0.189 0.393 0.875 0.750 CB 0.905 Z: 6 3.400 1.745 0.869 0.887 1.000 1.000 CB 0.336 Z: 9 2.879 1.461 0.234 0.396 0.750 0.500 CB 0.840 Z: 8 6.703 1.495 0.394 0.820 0.857 0.571 CB 1.075 Z: 7 5.617 1.556 0.792 0.559 0.833 0.500 CB 0.931 7 residues pruned to eliminate duplicates Z: 15 11.922 1.835 0.621 0.414 0.857 0.571 CB 1.367 7 residues pruned to eliminate duplicates Z: 8 3.995 1.417 0.285 0.499 1.000 0.714 CB 0.830 9 residues pruned to eliminate duplicates Z: 7 2.984 1.718 0.027 0.800 0.833 0.833 CB 0.637 Z: 8 4.881 1.435 0.496 0.667 0.857 0.571 CB 0.859 8 residues pruned to eliminate duplicates Z: 13 10.995 1.560 0.657 0.782 1.000 0.667 CB 0.958 13 residues pruned to eliminate duplicates Z: 7 6.394 1.460 0.381 0.798 1.000 1.000 CB 0.997 6 residues pruned to eliminate duplicates Z: 10 4.639 1.369 0.451 0.376 0.889 0.333 CB 1.000 Z: 19 11.575 1.802 0.588 0.382 0.889 0.667 CB 1.216 19 residues pruned to eliminate duplicates Z: 7 2.750 1.314 0.458 0.286 0.667 0.333 N 1.118 958 residues left after pruning, divided into chains as follows: A: 6 B: 16 C: 14 D: 132 E: 6 F: 10 G: 6 H: 16 I: 10 J: 30 K: 8 L: 31 M: 16 N: 8 O: 18 P: 15 Q: 18 R: 8 S: 7 T: 6 U: 20 V: 11 W: 15 X: 64 Y: 20 Z: 6 Z: 31 Z: 12 Z: 6 Z: 6 Z: 12 Z: 13 Z: 24 Z: 11 Z: 27 Z: 52 Z: 12 Z: 6 Z: 15 Z: 15 Z: 20 Z: 9 Z: 6 Z: 23 Z: 78 Z: 6 Z: 13 Z: 10 Z: 8 Z: 26 CC for partial structure against native data = 34.71 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.545, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.638, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.751, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.770, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.785, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.792, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.798, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.800, Connect. = 0.779 for dens.mod. cycle 8 = 0.300, Contrast = 0.801, Connect. = 0.780 for dens.mod. cycle 9 = 0.300, Contrast = 0.800, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3628 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 960 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 5.483 1.844 0.213 0.371 0.857 0.571 CB 1.241 B: 8 8.571 1.896 0.650 0.563 0.714 0.429 O 1.364 C: 20 15.681 1.972 0.578 0.525 0.842 0.632 CB 1.339 7 residues pruned to eliminate duplicates D: 36 18.306 1.927 0.625 0.535 0.829 0.657 CB 1.152 E: 7 15.306 2.013 0.758 0.670 1.000 0.667 CB 1.509 7 residues pruned to eliminate duplicates F: 11 4.324 1.793 0.634 0.229 0.600 0.500 CB 1.068 11 residues pruned to eliminate duplicates G: 7 7.228 1.877 0.243 0.615 0.833 0.667 O 1.362 H: 13 8.810 1.865 0.254 0.494 0.917 0.583 CB 1.193 I: 16 8.685 1.895 0.258 0.397 0.733 0.467 CB 1.430 14 residues pruned to eliminate duplicates J: 6 5.566 1.800 0.682 0.627 0.800 0.800 CB 0.912 K: 17 26.211 1.927 0.742 0.844 1.000 0.812 O 1.453 L: 12 11.346 1.743 0.338 0.894 1.000 0.818 CB 1.053 M: 12 14.331 1.747 0.677 0.823 1.000 0.545 CB 1.115 N: 10 7.770 1.969 0.365 0.419 0.889 0.556 CB 1.179 O: 11 7.604 1.759 0.858 0.338 0.700 0.300 N 1.254 P: 24 29.488 1.938 0.692 0.870 1.000 0.870 CB 1.369 Q: 16 6.378 1.976 0.263 0.222 0.800 0.400 CB 1.142 R: 7 3.886 1.849 0.176 0.250 0.667 0.333 CB 1.460 S: 16 27.593 2.009 0.918 0.814 0.867 0.667 CB 1.624 16 residues pruned to eliminate duplicates T: 15 22.287 1.954 0.734 0.825 0.929 0.714 CB 1.428 U: 19 26.007 1.951 0.671 0.859 0.944 0.611 O 1.465 19 residues pruned to eliminate duplicates V: 14 18.266 1.748 0.761 0.850 0.923 0.615 CB 1.321 W: 14 9.976 1.840 0.315 0.442 0.846 0.538 CB 1.434 6 residues pruned to eliminate duplicates X: 19 14.591 1.783 0.713 0.831 0.944 0.556 CB 0.895 Y: 7 13.655 1.836 0.708 0.681 1.000 0.667 N 1.505 7 residues pruned to eliminate duplicates Z: 14 12.465 1.964 0.763 0.442 0.769 0.308 CB 1.377 Z: 9 19.732 1.848 0.803 0.837 1.000 0.500 CB 1.566 14 residues pruned to eliminate duplicates Z: 19 10.073 1.917 0.540 0.438 0.667 0.500 CB 1.285 19 residues pruned to eliminate duplicates Z: 6 6.408 1.422 0.481 0.791 1.000 0.800 O 1.054 Z: 29 15.804 1.979 0.627 0.391 0.714 0.429 CB 1.457 25 residues pruned to eliminate duplicates Z: 15 19.733 1.877 0.699 0.874 1.000 0.929 CB 1.204 Z: 12 5.583 1.606 0.761 0.413 0.727 0.364 CB 0.896 12 residues pruned to eliminate duplicates Z: 11 5.313 1.812 0.587 0.358 0.600 0.300 CB 1.135 Z: 14 25.441 1.976 0.988 0.896 1.000 0.923 CB 1.287 15 residues pruned to eliminate duplicates Z: 13 12.975 1.680 0.480 0.854 0.917 0.667 CB 1.214 12 residues pruned to eliminate duplicates Z: 9 12.512 1.707 0.656 0.854 1.000 0.875 O 1.156 16 residues pruned to eliminate duplicates Z: 16 22.737 1.875 0.555 0.837 1.000 0.733 CB 1.507 Z: 7 10.650 2.015 0.577 0.627 0.833 0.667 CB 1.457 7 residues pruned to eliminate duplicates Z: 7 4.709 1.890 0.216 0.322 0.667 0.333 CB 1.527 7 residues pruned to eliminate duplicates Z: 16 8.130 1.565 0.371 0.737 0.867 0.733 CB 0.913 Z: 9 3.904 1.720 0.527 0.182 0.625 0.500 CB 1.232 Z: 20 25.447 1.892 0.812 0.885 1.000 0.789 CB 1.230 Z: 13 10.980 1.535 0.777 0.866 0.833 0.667 CB 1.021 13 residues pruned to eliminate duplicates Z: 21 27.020 1.947 0.717 0.936 1.000 0.950 O 1.259 21 residues pruned to eliminate duplicates Z: 11 4.362 1.678 -0.029 0.297 0.800 0.300 N 1.327 Z: 12 15.014 1.716 0.641 0.883 1.000 0.727 CB 1.163 13 residues pruned to eliminate duplicates Z: 19 11.147 1.836 0.479 0.379 0.833 0.500 CB 1.321 7 residues pruned to eliminate duplicates Z: 17 11.437 1.957 0.367 0.315 0.875 0.375 CB 1.499 15 residues pruned to eliminate duplicates Z: 16 22.716 1.929 0.917 0.821 1.000 0.667 CB 1.201 16 residues pruned to eliminate duplicates Z: 13 9.868 1.924 0.125 0.413 0.917 0.500 CB 1.573 Z: 14 10.724 1.578 0.573 0.711 0.846 0.692 CB 1.170 Z: 14 17.679 1.913 0.623 0.871 0.923 0.692 CB 1.248 14 residues pruned to eliminate duplicates Z: 18 23.303 1.874 0.672 0.928 1.000 0.941 CB 1.263 18 residues pruned to eliminate duplicates Z: 33 15.181 1.771 0.543 0.561 0.750 0.406 CB 1.235 Z: 19 16.718 1.933 0.342 0.861 0.889 0.833 CB 1.255 19 residues pruned to eliminate duplicates Z: 10 11.369 1.812 0.712 0.757 0.778 0.556 CB 1.250 10 residues pruned to eliminate duplicates Z: 10 9.338 1.650 0.512 0.798 1.000 0.556 CB 0.961 10 residues pruned to eliminate duplicates Z: 15 7.591 1.636 0.786 0.407 0.857 0.643 CB 0.893 Z: 8 7.439 1.492 0.546 0.866 1.000 0.714 O 0.892 Z: 8 11.576 1.891 0.509 0.870 1.000 0.857 CB 1.119 8 residues pruned to eliminate duplicates Z: 7 7.330 1.930 0.567 0.889 1.000 1.000 CB 0.712 Z: 14 18.363 1.771 0.617 0.842 1.000 0.692 CB 1.325 14 residues pruned to eliminate duplicates Z: 10 13.642 1.852 0.758 0.728 0.778 0.667 CB 1.463 Z: 11 12.289 1.833 0.843 0.710 0.900 0.700 CB 1.056 Z: 11 9.646 1.777 0.224 0.824 1.000 0.700 CB 1.060 10 residues pruned to eliminate duplicates Z: 18 11.660 1.807 0.604 0.501 0.941 0.529 CB 1.035 10 residues pruned to eliminate duplicates Z: 9 11.182 1.954 0.705 0.637 0.875 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 9 13.062 1.756 0.617 0.894 1.000 0.875 CB 1.167 9 residues pruned to eliminate duplicates Z: 15 10.644 1.567 0.355 0.881 1.000 0.786 CB 0.970 15 residues pruned to eliminate duplicates Z: 13 10.029 1.693 0.589 0.743 0.833 0.750 CB 1.039 13 residues pruned to eliminate duplicates Z: 16 12.031 1.822 0.830 0.414 0.733 0.533 N 1.390 16 residues pruned to eliminate duplicates Z: 13 14.169 1.831 0.585 0.856 0.917 0.750 CB 1.135 13 residues pruned to eliminate duplicates Z: 16 25.974 1.833 0.977 0.802 0.933 0.867 CB 1.523 10 residues pruned to eliminate duplicates Z: 11 7.414 1.616 0.410 0.792 1.000 0.600 CB 0.796 Z: 11 9.678 1.662 0.540 0.864 0.900 0.600 CB 0.973 11 residues pruned to eliminate duplicates Z: 28 16.397 1.762 0.452 0.540 0.889 0.519 CB 1.335 55 residues pruned to eliminate duplicates Z: 15 19.921 1.679 0.907 0.891 1.000 0.786 CB 1.195 15 residues pruned to eliminate duplicates Z: 12 9.011 1.498 0.657 0.806 0.727 0.545 CB 1.152 Z: 6 3.733 1.647 0.443 0.290 0.800 0.400 CB 1.111 Z: 6 9.610 1.691 0.422 0.818 1.000 1.000 CB 1.356 6 residues pruned to eliminate duplicates Z: 29 17.211 1.892 0.587 0.596 0.821 0.643 CB 1.203 29 residues pruned to eliminate duplicates Z: 6 2.256 1.562 0.854 0.295 0.600 0.400 CB 0.730 Z: 9 9.592 1.667 0.283 0.815 1.000 0.875 CB 1.206 Z: 13 29.396 2.001 1.159 0.916 0.917 0.833 CB 1.513 13 residues pruned to eliminate duplicates Z: 10 4.915 1.624 0.514 0.331 0.667 0.556 CB 1.202 Z: 8 3.911 1.672 0.764 0.338 0.429 0.286 N 1.396 Z: 24 24.419 1.972 0.536 0.835 0.957 0.783 CB 1.317 24 residues pruned to eliminate duplicates Z: 16 14.383 1.942 0.869 0.413 0.733 0.467 CB 1.529 10 residues pruned to eliminate duplicates Z: 8 3.223 1.517 0.547 0.429 0.714 0.429 CB 0.782 8 residues pruned to eliminate duplicates Z: 8 11.271 1.891 0.346 0.884 1.000 0.714 CB 1.209 Z: 13 24.997 1.965 0.685 0.869 1.000 0.917 CB 1.592 15 residues pruned to eliminate duplicates Z: 7 11.206 1.968 0.392 0.841 1.000 0.833 CB 1.246 7 residues pruned to eliminate duplicates Z: 22 11.153 1.704 0.726 0.489 0.905 0.571 CB 0.925 22 residues pruned to eliminate duplicates Z: 20 27.641 1.843 0.863 0.897 1.000 0.895 CB 1.322 21 residues pruned to eliminate duplicates Z: 10 10.221 1.776 0.534 0.683 0.889 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 9 11.454 1.783 0.580 0.839 0.875 0.625 CB 1.227 Z: 18 7.342 1.677 0.862 0.355 0.706 0.471 CB 0.945 Z: 10 8.059 1.593 0.474 0.872 1.000 1.000 CB 0.834 Z: 6 2.759 1.830 0.164 0.294 0.600 0.600 CB 1.216 Z: 14 24.356 1.901 0.960 0.910 0.923 0.385 CB 1.392 19 residues pruned to eliminate duplicates Z: 11 12.133 1.827 0.579 0.877 1.000 0.600 CB 0.966 11 residues pruned to eliminate duplicates Z: 8 12.492 1.852 0.806 0.815 0.714 0.571 CB 1.503 8 residues pruned to eliminate duplicates Z: 6 3.080 1.768 0.378 0.152 0.800 0.400 CB 1.084 6 residues pruned to eliminate duplicates Z: 18 8.255 1.566 0.605 0.499 0.765 0.529 CB 1.042 Z: 10 4.798 1.622 0.737 0.344 0.667 0.444 N 1.009 10 residues pruned to eliminate duplicates Z: 10 12.660 1.601 0.769 0.771 0.889 0.667 O 1.319 Z: 13 5.578 1.865 0.301 0.342 0.667 0.250 CB 1.182 11 residues pruned to eliminate duplicates Z: 10 7.117 1.737 0.280 0.461 0.889 0.444 CB 1.248 Z: 14 18.016 1.755 1.056 0.812 0.923 0.692 CB 1.144 14 residues pruned to eliminate duplicates Z: 13 9.060 1.735 0.783 0.498 0.667 0.500 CB 1.270 13 residues pruned to eliminate duplicates Z: 14 10.064 1.575 0.555 0.850 0.846 0.769 CB 0.998 14 residues pruned to eliminate duplicates Z: 12 10.797 1.775 0.866 0.768 0.909 0.636 CB 0.853 11 residues pruned to eliminate duplicates Z: 7 4.731 1.715 0.794 0.269 0.667 0.333 CB 1.224 Z: 7 5.709 1.652 0.599 0.414 0.833 0.667 O 1.158 Z: 19 21.818 1.883 0.762 0.865 0.889 0.667 CB 1.278 19 residues pruned to eliminate duplicates Z: 11 5.959 1.632 0.228 0.552 0.700 0.400 CB 1.277 11 residues pruned to eliminate duplicates Z: 9 11.512 1.775 0.385 0.890 1.000 0.875 O 1.192 Z: 16 24.208 1.881 0.958 0.852 0.933 0.533 CB 1.345 16 residues pruned to eliminate duplicates Z: 6 2.493 1.607 0.648 0.297 0.600 0.400 CB 0.881 Z: 10 2.869 1.469 0.409 0.163 0.667 0.444 CB 1.045 Z: 15 17.769 1.660 0.909 0.895 1.000 0.643 CB 1.074 15 residues pruned to eliminate duplicates Z: 19 22.011 1.754 0.687 0.874 0.944 0.611 CB 1.351 Z: 16 28.304 1.978 0.889 0.874 0.933 0.733 CB 1.525 16 residues pruned to eliminate duplicates Z: 18 18.239 1.895 0.531 0.846 0.882 0.588 O 1.283 18 residues pruned to eliminate duplicates Z: 16 10.403 1.568 0.998 0.472 0.733 0.333 CB 1.203 16 residues pruned to eliminate duplicates Z: 21 25.659 1.853 0.735 0.875 0.950 0.800 CB 1.365 21 residues pruned to eliminate duplicates Z: 7 8.427 2.092 0.703 0.151 0.833 0.333 CB 1.779 7 residues pruned to eliminate duplicates Z: 8 12.032 1.788 0.850 0.704 0.857 0.571 CB 1.332 7 residues pruned to eliminate duplicates Z: 6 2.465 1.874 -0.151 0.406 0.600 0.400 N 1.275 Z: 6 11.011 1.702 0.640 0.872 1.000 1.000 CB 1.285 Z: 6 5.259 1.657 0.508 0.710 0.600 0.600 N 1.296 Z: 6 3.452 1.795 0.455 0.854 0.600 0.600 CB 0.728 6 residues pruned to eliminate duplicates Z: 18 11.815 1.841 0.558 0.549 0.765 0.529 CB 1.246 11 residues pruned to eliminate duplicates Z: 8 13.016 2.062 0.513 0.570 0.857 0.571 N 1.720 Z: 8 7.219 2.107 0.333 0.216 0.857 0.571 CB 1.583 8 residues pruned to eliminate duplicates Z: 16 12.853 1.733 0.416 0.865 0.933 0.733 O 1.061 16 residues pruned to eliminate duplicates Z: 15 28.203 1.975 1.103 0.941 1.000 0.857 CB 1.259 14 residues pruned to eliminate duplicates Z: 12 14.083 1.838 0.420 0.868 1.000 0.727 CB 1.189 12 residues pruned to eliminate duplicates Z: 19 9.897 1.443 0.451 0.813 0.944 0.722 CB 0.898 16 residues pruned to eliminate duplicates Z: 14 12.661 1.589 0.717 0.763 0.846 0.692 CB 1.205 12 residues pruned to eliminate duplicates Z: 18 19.737 1.801 0.453 0.852 0.941 0.765 O 1.438 18 residues pruned to eliminate duplicates Z: 16 7.833 1.607 0.235 0.491 0.800 0.467 CB 1.285 Z: 8 4.671 1.615 0.010 0.766 1.000 0.714 CB 0.855 Z: 10 12.897 1.792 0.535 0.854 1.000 0.889 CB 1.154 9 residues pruned to eliminate duplicates Z: 29 34.372 1.999 1.013 0.721 0.893 0.429 CB 1.481 34 residues pruned to eliminate duplicates Z: 13 5.246 1.673 0.146 0.301 0.750 0.417 N 1.315 13 residues pruned to eliminate duplicates Z: 8 8.829 1.558 0.563 0.844 1.000 0.714 CB 1.019 Z: 13 9.768 1.522 0.662 0.838 0.833 0.750 CB 1.000 8 residues pruned to eliminate duplicates Z: 6 4.018 1.534 0.601 0.781 0.800 0.600 CB 0.713 6 residues pruned to eliminate duplicates Z: 7 3.215 1.544 0.860 0.249 0.667 0.500 CB 0.915 Z: 17 16.673 1.804 0.812 0.816 0.938 0.688 CB 1.033 17 residues pruned to eliminate duplicates Z: 10 4.224 1.512 0.418 0.256 0.778 0.444 CB 1.117 Z: 10 8.712 1.662 0.254 0.760 0.889 0.667 O 1.244 Z: 28 16.942 1.820 0.386 0.630 0.926 0.815 CB 1.235 12 residues pruned to eliminate duplicates Z: 8 17.418 1.910 0.800 0.787 1.000 0.714 CB 1.488 8 residues pruned to eliminate duplicates Z: 23 17.828 1.900 0.842 0.849 0.682 0.318 CB 1.181 23 residues pruned to eliminate duplicates Z: 9 4.702 1.728 0.529 0.683 0.625 0.375 CB 0.851 9 residues pruned to eliminate duplicates Z: 9 11.139 1.746 0.936 0.676 0.875 0.625 CB 1.132 9 residues pruned to eliminate duplicates Z: 9 8.218 1.839 0.628 0.907 1.000 0.875 CB 0.690 Z: 6 3.539 1.638 0.081 0.564 1.000 0.400 CB 0.841 Z: 30 20.774 1.813 0.855 0.564 0.828 0.552 CB 1.303 23 residues pruned to eliminate duplicates Z: 14 7.402 1.640 0.679 0.528 0.692 0.538 CB 1.048 14 residues pruned to eliminate duplicates Z: 17 15.392 1.798 0.376 0.851 1.000 0.750 CB 1.152 11 residues pruned to eliminate duplicates Z: 21 8.465 1.669 0.512 0.363 0.750 0.350 CB 1.158 Z: 6 5.262 1.583 1.136 0.428 0.800 0.600 CB 0.938 Z: 8 3.994 1.580 0.308 0.362 0.714 0.429 CB 1.187 Z: 22 19.326 1.784 0.737 0.712 0.905 0.619 CB 1.241 Z: 6 4.928 1.777 -0.154 0.697 1.000 0.800 CB 1.224 Z: 8 5.707 1.634 0.295 0.528 0.857 0.571 CB 1.157 Z: 6 4.979 1.868 0.031 0.631 0.800 0.800 O 1.278 6 residues pruned to eliminate duplicates Z: 14 12.109 1.500 0.815 0.803 0.923 0.462 CB 1.026 6 residues pruned to eliminate duplicates Z: 7 8.351 1.654 0.908 0.548 0.833 0.667 CB 1.238 Z: 12 4.291 1.432 0.473 0.561 0.818 0.545 CB 0.706 12 residues pruned to eliminate duplicates Z: 8 4.389 1.638 0.577 0.337 0.714 0.571 O 1.074 5 residues pruned to eliminate duplicates Z: 6 3.033 1.471 1.093 0.296 0.600 0.400 N 0.923 Z: 13 25.166 1.972 0.658 0.854 1.000 0.833 O 1.640 13 residues pruned to eliminate duplicates Z: 6 2.243 1.259 0.651 0.330 0.800 0.600 N 0.727 Z: 16 23.383 1.875 1.063 0.902 1.000 0.867 CB 1.113 16 residues pruned to eliminate duplicates 6 1.872 1.678 0.386 0.798 0.600 0.600 CB 0.463 ? Z: 10 3.915 1.603 0.103 0.451 0.778 0.667 CB 0.998 6 residues pruned to eliminate duplicates Z: 8 7.253 1.571 0.215 0.703 1.000 0.429 CB 1.194 Z: 32 18.171 1.897 0.602 0.617 0.871 0.419 CB 1.104 30 residues pruned to eliminate duplicates Z: 8 5.016 1.771 0.459 0.566 0.714 0.286 CB 0.964 Z: 11 6.659 1.842 0.943 0.493 0.600 0.400 CB 0.987 6 1.683 1.366 0.912 0.299 0.400 0.400 N 0.901 ? Z: 8 6.001 1.619 0.421 0.683 0.857 0.857 CB 0.973 Z: 7 2.450 1.620 0.311 0.710 0.833 0.500 CB 0.467 Z: 11 12.279 1.801 0.668 0.907 1.000 0.900 CB 0.919 11 residues pruned to eliminate duplicates Z: 11 5.539 1.475 0.493 0.675 0.800 0.500 CB 0.846 5 residues pruned to eliminate duplicates Z: 17 19.900 1.839 0.431 0.831 1.000 0.812 O 1.420 17 residues pruned to eliminate duplicates Z: 6 11.385 1.876 0.541 0.627 1.000 0.800 CB 1.562 Z: 8 3.185 1.372 0.374 0.510 0.714 0.429 N 0.885 Z: 12 8.421 1.785 0.147 0.558 0.818 0.818 CB 1.432 Z: 9 10.163 1.662 0.554 0.875 0.875 0.875 CB 1.156 Z: 31 12.599 1.685 0.502 0.556 0.867 0.533 CB 0.993 28 residues pruned to eliminate duplicates Z: 26 12.917 1.818 0.409 0.472 0.800 0.600 CB 1.297 32 residues pruned to eliminate duplicates Z: 18 21.749 1.803 0.934 0.842 0.882 0.765 CB 1.278 18 residues pruned to eliminate duplicates Z: 11 10.484 1.671 0.747 0.871 0.900 0.800 CB 0.920 Z: 7 9.177 1.751 0.552 0.852 1.000 1.000 CB 1.019 Z: 8 5.202 1.744 0.040 0.397 0.857 0.571 N 1.409 Z: 11 12.443 1.620 0.606 0.801 1.000 0.900 CB 1.163 11 residues pruned to eliminate duplicates Z: 27 13.526 1.968 0.408 0.398 0.846 0.692 CB 1.261 16 residues pruned to eliminate duplicates Z: 7 2.675 1.916 0.259 0.825 0.667 0.667 CB 0.512 7 residues pruned to eliminate duplicates Z: 10 12.807 1.713 0.448 0.865 1.000 0.556 O 1.260 9 residues pruned to eliminate duplicates Z: 16 9.565 1.650 0.326 0.695 0.867 0.667 CB 1.090 16 residues pruned to eliminate duplicates Z: 6 4.338 1.620 0.740 0.365 0.800 0.600 N 0.995 Z: 14 20.286 1.881 0.735 0.914 1.000 1.000 CB 1.220 14 residues pruned to eliminate duplicates Z: 9 5.236 1.723 0.805 0.369 0.625 0.500 CB 1.096 Z: 14 4.836 1.655 0.611 0.193 0.615 0.385 N 1.180 Z: 7 8.084 1.820 0.493 0.837 1.000 0.667 CB 0.908 5 residues pruned to eliminate duplicates Z: 9 7.924 1.665 0.377 0.776 0.875 0.750 CB 1.095 9 residues pruned to eliminate duplicates Z: 6 2.235 1.469 0.254 0.306 0.600 0.600 O 1.123 Z: 12 18.758 1.897 0.833 0.855 0.909 0.727 CB 1.320 12 residues pruned to eliminate duplicates Z: 12 5.418 1.571 0.621 0.369 0.636 0.545 CB 1.160 Z: 17 14.435 1.771 0.653 0.459 0.875 0.500 CB 1.469 17 residues pruned to eliminate duplicates Z: 13 18.327 1.919 0.645 0.849 1.000 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 7 5.720 1.519 0.056 0.793 0.833 0.667 CB 1.351 Z: 16 33.091 1.977 1.028 0.912 1.000 0.733 CB 1.509 16 residues pruned to eliminate duplicates Z: 14 16.702 1.861 0.768 0.760 1.000 0.923 CB 1.117 14 residues pruned to eliminate duplicates Z: 8 6.762 1.694 0.078 0.782 0.857 0.857 O 1.273 8 residues pruned to eliminate duplicates Z: 9 6.622 1.627 0.543 0.703 0.875 0.625 O 0.886 9 residues pruned to eliminate duplicates Z: 13 15.262 1.833 0.707 0.769 0.833 0.417 CB 1.332 12 residues pruned to eliminate duplicates Z: 9 3.982 1.671 0.327 0.378 0.625 0.375 N 1.157 12 residues pruned to eliminate duplicates Z: 12 6.881 1.698 0.079 0.447 0.818 0.455 CB 1.463 12 residues pruned to eliminate duplicates Z: 10 9.812 1.662 0.599 0.839 0.889 0.667 CB 1.034 10 residues pruned to eliminate duplicates Z: 12 21.804 1.925 1.008 0.904 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 7 5.237 1.908 0.658 0.885 1.000 1.000 CB 0.488 7 residues pruned to eliminate duplicates Z: 6 10.462 1.843 0.459 0.874 1.000 1.000 CB 1.266 6 residues pruned to eliminate duplicates Z: 14 15.878 1.736 0.484 0.908 1.000 0.769 CB 1.215 14 residues pruned to eliminate duplicates Z: 24 10.445 1.689 0.785 0.472 0.783 0.478 CB 0.950 44 residues pruned to eliminate duplicates Z: 16 23.899 1.921 0.876 0.928 1.000 0.867 CB 1.199 15 residues pruned to eliminate duplicates Z: 16 7.799 1.515 0.627 0.581 0.733 0.733 CB 1.030 Z: 8 3.742 1.672 0.236 0.093 0.857 0.143 CB 1.346 Z: 11 5.246 1.670 0.292 0.450 0.800 0.400 N 1.011 Z: 12 8.307 1.847 0.438 0.649 0.818 0.455 CB 1.003 12 residues pruned to eliminate duplicates Z: 14 3.777 1.646 0.421 0.300 0.462 0.154 CB 1.213 14 residues pruned to eliminate duplicates Z: 9 9.109 1.633 0.403 0.731 1.000 0.625 CB 1.142 9 residues pruned to eliminate duplicates Z: 13 6.036 1.598 0.224 0.375 0.917 0.583 CB 1.111 Z: 8 4.004 1.354 -0.108 0.774 1.000 0.714 O 0.984 6 1.467 1.380 0.209 0.387 0.800 0.600 CB 0.554 ? Z: 7 6.741 1.594 0.650 0.748 0.667 0.500 CB 1.258 7 residues pruned to eliminate duplicates Z: 8 7.947 1.365 0.452 0.877 1.000 0.857 N 1.101 6 residues pruned to eliminate duplicates Z: 14 16.585 1.890 0.672 0.804 0.769 0.692 CB 1.452 14 residues pruned to eliminate duplicates Z: 13 8.383 1.639 0.661 0.833 0.750 0.333 CB 0.889 13 residues pruned to eliminate duplicates Z: 16 6.860 1.736 0.229 0.402 0.800 0.400 CB 1.151 12 residues pruned to eliminate duplicates Z: 6 2.064 1.692 -0.040 0.434 0.600 0.600 CB 1.014 Z: 9 13.150 1.806 0.659 0.872 1.000 0.875 CB 1.131 9 residues pruned to eliminate duplicates Z: 6 2.023 1.580 0.194 0.291 0.800 0.600 CB 0.757 Z: 24 12.912 1.902 0.601 0.436 0.783 0.609 CB 1.207 25 residues pruned to eliminate duplicates Z: 7 4.343 1.694 0.476 0.364 0.833 0.667 CB 0.985 Z: 9 3.256 1.552 -0.029 0.241 1.000 0.250 N 1.031 Z: 10 6.261 1.820 0.673 0.788 0.889 0.889 CB 0.599 Z: 16 3.641 1.718 0.321 0.130 0.667 0.467 CB 0.987 Z: 7 10.968 1.734 0.425 0.862 1.000 0.667 O 1.330 Z: 9 4.425 1.374 0.175 0.427 1.000 0.625 CB 1.045 Z: 14 5.922 1.611 0.148 0.390 0.846 0.462 CB 1.179 12 residues pruned to eliminate duplicates Z: 12 16.902 1.921 0.509 0.910 1.000 0.909 CB 1.247 12 residues pruned to eliminate duplicates Z: 22 19.949 1.807 0.835 0.792 0.905 0.476 CB 1.123 24 residues pruned to eliminate duplicates Z: 19 11.940 1.678 0.526 0.475 0.833 0.500 CB 1.352 17 residues pruned to eliminate duplicates Z: 6 8.878 1.816 0.168 0.717 1.000 0.200 N 1.538 6 residues pruned to eliminate duplicates Z: 8 2.091 1.459 0.098 0.386 0.571 0.286 CB 0.975 8 residues pruned to eliminate duplicates Z: 11 7.790 1.611 0.453 0.617 0.800 0.600 CB 1.177 Z: 6 3.307 1.600 0.410 0.300 0.800 0.800 CB 1.025 6 residues pruned to eliminate duplicates Z: 8 5.284 1.494 0.541 0.662 0.714 0.714 CB 1.045 6 1.693 1.519 0.568 0.296 0.600 0.600 CB 0.666 ? 7 1.974 1.807 -0.273 0.340 0.833 0.500 CB 0.877 ? Z: 11 6.130 1.517 0.660 0.605 0.700 0.400 CB 0.995 8 residues pruned to eliminate duplicates Z: 12 6.739 1.645 0.312 0.443 0.818 0.273 N 1.220 Z: 11 13.263 1.578 0.608 0.909 1.000 1.000 CB 1.173 10 residues pruned to eliminate duplicates Z: 16 11.446 1.840 0.538 0.752 0.800 0.667 CB 1.042 24 residues pruned to eliminate duplicates Z: 6 3.075 1.545 0.268 0.802 1.000 1.000 CB 0.540 Z: 6 6.163 1.864 0.498 0.841 1.000 0.800 CB 0.736 6 residues pruned to eliminate duplicates Z: 6 2.138 1.595 0.256 0.402 0.800 0.600 CB 0.662 Z: 13 7.746 1.576 0.741 0.792 0.750 0.583 CB 0.841 13 residues pruned to eliminate duplicates Z: 20 31.498 1.897 0.860 0.913 1.000 0.842 CB 1.450 20 residues pruned to eliminate duplicates Z: 16 36.017 1.992 1.169 0.907 1.000 0.600 CB 1.530 16 residues pruned to eliminate duplicates Z: 12 6.833 1.823 0.190 0.378 0.909 0.727 CB 1.190 12 residues pruned to eliminate duplicates 8 1.925 1.642 0.233 0.260 0.571 0.571 CB 0.828 ? Z: 9 9.157 1.914 0.436 0.479 0.750 0.500 O 1.605 8 residues pruned to eliminate duplicates Z: 17 10.279 1.571 0.785 0.855 0.938 0.625 CB 0.722 11 residues pruned to eliminate duplicates Z: 9 8.489 1.542 0.525 0.824 0.875 0.625 CB 1.101 12 residues pruned to eliminate duplicates Z: 8 9.218 1.859 0.436 0.889 1.000 1.000 CB 0.940 Z: 48 12.039 1.913 0.294 0.284 0.723 0.426 CB 1.251 48 residues pruned to eliminate duplicates Z: 7 4.006 1.725 0.794 0.256 0.500 0.500 N 1.399 Z: 6 3.436 1.486 0.549 0.731 0.800 0.600 CB 0.678 6 residues pruned to eliminate duplicates Z: 9 12.906 1.739 0.372 0.801 1.000 0.750 CB 1.469 9 residues pruned to eliminate duplicates Z: 6 3.315 1.627 0.391 0.432 0.600 0.600 N 1.172 Z: 13 11.494 1.462 0.870 0.816 0.917 0.750 CB 1.006 12 residues pruned to eliminate duplicates Z: 14 6.235 1.394 0.375 0.719 0.923 0.462 CB 0.802 14 residues pruned to eliminate duplicates Z: 18 10.902 1.738 0.564 0.846 0.941 0.647 CB 0.768 18 residues pruned to eliminate duplicates Z: 17 10.153 1.346 0.506 0.849 0.938 0.562 CB 0.990 16 residues pruned to eliminate duplicates Z: 8 3.057 1.652 0.113 0.211 0.857 0.571 CB 1.031 Z: 8 8.831 1.804 0.506 0.815 1.000 0.857 CB 0.934 8 residues pruned to eliminate duplicates Z: 19 10.267 1.681 0.188 0.801 0.889 0.667 CB 1.048 19 residues pruned to eliminate duplicates Z: 6 2.612 1.367 0.725 0.268 0.600 0.600 O 1.075 Z: 8 2.120 1.565 0.080 0.730 1.000 0.714 CB 0.385 8 residues pruned to eliminate duplicates Z: 12 8.081 1.726 0.286 0.524 0.909 0.636 CB 1.179 Z: 13 11.272 1.565 0.591 0.886 1.000 0.917 CB 0.943 13 residues pruned to eliminate duplicates Z: 6 4.894 1.934 0.364 0.790 1.000 0.800 CB 0.644 Z: 10 3.903 1.623 0.319 0.236 0.667 0.444 CB 1.239 Z: 7 5.313 1.618 0.987 0.383 0.667 0.500 CB 1.146 Z: 8 13.826 1.720 0.661 0.707 1.000 0.714 N 1.516 Z: 20 13.682 1.916 0.715 0.352 0.789 0.421 CB 1.421 20 residues pruned to eliminate duplicates Z: 7 3.267 1.646 0.202 0.204 0.833 0.333 CB 1.149 Z: 11 5.958 1.616 0.472 0.547 0.800 0.300 CB 0.945 Z: 7 5.819 1.568 0.085 0.697 1.000 1.000 CB 1.167 Z: 13 9.660 1.482 0.447 0.847 1.000 0.417 CB 0.965 Z: 17 23.443 1.768 1.003 0.837 0.875 0.688 CB 1.414 17 residues pruned to eliminate duplicates Z: 10 7.294 1.853 0.205 0.346 1.000 0.778 CB 1.287 Z: 14 15.237 1.699 0.872 0.801 0.846 0.692 CB 1.207 14 residues pruned to eliminate duplicates Z: 6 6.705 1.796 0.159 0.806 1.000 0.800 CB 1.103 Z: 6 7.489 1.681 0.519 0.680 0.800 0.800 CB 1.390 Z: 10 8.882 1.773 0.324 0.528 0.889 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 8 2.362 1.559 0.566 0.120 0.571 0.429 N 1.032 Z: 36 12.370 1.758 0.516 0.387 0.743 0.571 CB 1.191 36 residues pruned to eliminate duplicates Z: 6 3.712 1.683 -0.152 0.842 1.000 0.800 O 0.867 5 residues pruned to eliminate duplicates Z: 13 7.255 1.653 0.448 0.675 0.750 0.583 CB 0.993 13 residues pruned to eliminate duplicates Z: 11 5.604 1.380 0.474 0.715 0.800 0.600 CB 0.896 11 residues pruned to eliminate duplicates Z: 7 3.057 1.600 0.413 0.236 0.667 0.500 N 1.125 Z: 9 3.626 1.596 0.959 0.345 0.500 0.250 CB 0.970 Z: 10 4.327 1.498 0.587 0.224 0.778 0.444 CB 1.077 Z: 9 8.401 1.550 0.615 0.555 0.875 0.500 CB 1.285 7 residues pruned to eliminate duplicates Z: 6 12.570 1.600 0.879 0.798 1.000 0.400 N 1.440 8 1.514 1.373 0.058 0.256 0.714 0.571 CB 0.729 ? 6 1.999 1.767 -0.252 0.247 0.800 0.400 CB 1.132 ? Z: 34 15.772 1.810 0.530 0.375 0.909 0.424 CB 1.246 40 residues pruned to eliminate duplicates Z: 10 4.892 1.548 0.624 0.288 0.667 0.444 CB 1.234 3 residues pruned to eliminate duplicates Z: 6 8.942 1.583 0.837 0.797 0.800 0.800 N 1.325 6 residues pruned to eliminate duplicates Z: 19 22.160 1.956 0.455 0.887 1.000 0.833 CB 1.323 19 residues pruned to eliminate duplicates Z: 7 9.283 1.750 0.220 0.831 1.000 0.833 CB 1.334 7 residues pruned to eliminate duplicates Z: 6 2.285 1.301 -0.105 0.740 0.800 0.800 CB 0.885 Z: 18 11.472 1.489 0.520 0.756 0.882 0.529 CB 1.109 18 residues pruned to eliminate duplicates Z: 14 10.888 1.788 0.643 0.808 0.769 0.308 CB 1.021 14 residues pruned to eliminate duplicates Z: 11 6.531 1.616 0.334 0.576 0.800 0.500 CB 1.113 11 residues pruned to eliminate duplicates Z: 6 4.260 1.456 0.576 0.818 0.800 0.600 CB 0.787 6 residues pruned to eliminate duplicates Z: 15 7.454 1.633 0.278 0.498 0.786 0.429 CB 1.218 9 residues pruned to eliminate duplicates Z: 6 4.572 1.852 0.567 0.751 1.000 0.600 CB 0.563 6 residues pruned to eliminate duplicates Z: 6 2.380 1.645 0.064 0.254 0.800 0.400 CB 1.008 Z: 11 2.634 1.367 -0.133 0.250 0.900 0.300 N 1.041 Z: 15 14.217 1.679 0.616 0.765 0.929 0.714 CB 1.192 22 residues pruned to eliminate duplicates Z: 7 5.641 1.349 0.965 0.599 0.833 0.667 N 0.949 6 1.217 1.180 0.123 0.460 0.800 0.600 CB 0.535 ? Z: 6 5.563 1.539 0.600 0.501 1.000 0.400 CB 1.009 Z: 13 7.510 1.865 0.469 0.459 0.583 0.583 CB 1.414 13 residues pruned to eliminate duplicates Z: 9 3.780 1.505 0.440 0.478 0.875 0.625 CB 0.721 Z: 7 3.065 1.480 0.236 0.523 1.000 0.333 CB 0.669 Z: 35 18.804 1.808 0.692 0.522 0.824 0.618 CB 1.253 37 residues pruned to eliminate duplicates Z: 8 7.874 1.601 0.471 0.817 1.000 0.857 CB 0.959 Z: 23 19.527 1.702 0.681 0.880 0.955 0.682 O 1.104 23 residues pruned to eliminate duplicates Z: 9 18.281 1.860 0.644 0.895 1.000 1.000 CB 1.515 9 residues pruned to eliminate duplicates Z: 8 3.193 1.663 -0.190 0.572 0.857 0.571 CB 0.974 5 residues pruned to eliminate duplicates Z: 6 6.223 1.634 0.248 0.882 1.000 1.000 CB 0.987 6 residues pruned to eliminate duplicates Z: 8 2.842 1.304 0.473 0.310 0.714 0.714 CB 0.967 6 0.390 1.736 0.667 0.841 0.600 0.600 CB 0.075 ? Z: 13 13.114 1.605 0.726 0.890 1.000 0.833 CB 0.984 13 residues pruned to eliminate duplicates Z: 17 4.194 1.325 0.406 0.330 0.750 0.312 CB 0.904 Z: 7 6.385 1.691 0.761 0.558 1.000 0.667 CB 0.827 Z: 13 4.071 1.528 0.226 0.325 0.667 0.250 CB 1.141 Z: 7 3.076 1.907 -0.170 0.420 0.667 0.333 CB 1.294 7 residues pruned to eliminate duplicates Z: 15 4.312 1.435 0.294 0.354 0.643 0.429 CB 1.131 Z: 10 8.346 1.753 0.274 0.797 1.000 0.778 CB 0.960 10 residues pruned to eliminate duplicates Z: 9 4.774 1.700 0.610 0.581 0.875 0.500 CB 0.652 6 residues pruned to eliminate duplicates Z: 14 11.880 1.631 0.514 0.902 1.000 0.846 CB 0.952 14 residues pruned to eliminate duplicates Z: 12 10.472 1.731 0.336 0.516 1.000 0.455 CB 1.344 12 residues pruned to eliminate duplicates Z: 8 2.572 1.232 0.148 0.311 0.857 0.143 N 0.990 Z: 8 2.655 1.373 0.626 0.299 0.571 0.286 N 0.985 Z: 13 4.843 1.665 0.574 0.211 0.583 0.250 CB 1.285 13 residues pruned to eliminate duplicates Z: 6 2.266 1.273 0.020 0.555 1.000 0.400 CB 0.740 Z: 11 8.150 1.574 0.535 0.824 0.900 0.500 CB 0.895 11 residues pruned to eliminate duplicates Z: 11 5.302 1.746 0.217 0.227 0.800 0.700 N 1.358 Z: 14 19.152 1.871 0.593 0.922 1.000 0.923 CB 1.254 19 residues pruned to eliminate duplicates Z: 7 3.356 1.871 -0.032 0.899 1.000 1.000 CB 0.541 Z: 7 6.179 1.388 0.838 0.758 0.833 0.667 CB 0.944 6 residues pruned to eliminate duplicates Z: 10 15.861 1.816 0.677 0.864 1.000 0.667 CB 1.273 10 residues pruned to eliminate duplicates 6 0.961 1.107 0.201 0.256 0.800 0.600 CB 0.534 ? Z: 6 5.663 1.530 0.612 0.867 1.000 0.800 CB 0.751 Z: 11 5.196 1.535 0.293 0.446 0.900 0.600 CB 0.972 8 residues pruned to eliminate duplicates Z: 7 5.581 1.685 0.801 0.571 0.833 0.833 CB 0.841 Z: 13 5.018 1.733 0.225 0.200 0.833 0.250 CB 1.170 13 residues pruned to eliminate duplicates Z: 14 4.607 1.657 0.311 0.113 0.846 0.538 CB 1.133 Z: 11 4.467 1.516 0.331 0.687 0.700 0.400 CB 0.842 Z: 6 3.367 1.438 0.609 0.406 0.800 0.600 CB 0.898 Z: 6 3.477 1.791 0.575 0.298 0.600 0.400 CB 1.151 6 residues pruned to eliminate duplicates Z: 12 15.738 1.859 0.456 0.864 1.000 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 38 21.488 1.861 0.557 0.495 0.919 0.649 CB 1.333 36 residues pruned to eliminate duplicates Z: 7 7.262 1.885 0.693 0.894 1.000 1.000 CB 0.667 Z: 6 4.148 1.619 0.710 0.717 0.800 0.400 CB 0.688 6 residues pruned to eliminate duplicates Z: 11 5.215 1.542 0.426 0.378 0.800 0.400 CB 1.068 Z: 6 5.010 1.473 0.438 0.780 1.000 0.400 CB 0.826 6 residues pruned to eliminate duplicates Z: 35 12.780 1.710 0.476 0.299 0.824 0.412 CB 1.320 35 residues pruned to eliminate duplicates Z: 7 8.256 1.772 0.119 0.843 1.000 0.833 O 1.265 7 residues pruned to eliminate duplicates Z: 9 6.400 1.911 0.304 0.426 0.875 0.625 CB 1.121 9 residues pruned to eliminate duplicates Z: 6 2.386 1.344 0.093 0.548 0.800 0.600 CB 0.866 Z: 8 6.136 1.660 0.033 0.860 0.857 0.857 CB 1.160 8 residues pruned to eliminate duplicates Z: 10 5.396 1.663 0.129 0.583 0.889 0.556 CB 0.996 Z: 9 3.104 1.359 0.401 0.270 0.750 0.375 N 0.998 Z: 13 4.529 1.510 0.097 0.478 0.833 0.500 CB 0.969 Z: 15 15.607 1.851 0.667 0.771 0.929 0.643 CB 1.145 13 residues pruned to eliminate duplicates Z: 7 2.237 1.575 0.062 0.458 0.667 0.333 CB 0.855 7 residues pruned to eliminate duplicates Z: 8 7.059 1.995 0.879 0.884 1.000 0.857 CB 0.514 Z: 6 4.515 1.830 -0.088 0.502 1.000 0.800 O 1.207 6 residues pruned to eliminate duplicates Z: 7 8.271 1.686 0.405 0.860 1.000 0.833 CB 1.048 7 residues pruned to eliminate duplicates Z: 12 14.443 1.556 0.938 0.852 1.000 0.727 CB 1.068 11 residues pruned to eliminate duplicates Z: 7 2.339 1.522 0.356 0.387 0.667 0.500 CB 0.783 Z: 9 6.874 1.292 0.637 0.854 0.875 0.500 N 0.970 Z: 13 16.524 1.956 0.815 0.879 1.000 0.750 CB 0.974 13 residues pruned to eliminate duplicates Z: 10 7.993 1.627 0.415 0.830 0.889 0.889 CB 0.979 10 residues pruned to eliminate duplicates 8 1.889 1.659 0.105 0.158 0.571 0.286 CB 1.036 ? Z: 6 3.444 1.446 0.577 0.481 0.600 0.600 CB 1.147 Z: 7 3.609 1.428 0.688 0.277 0.833 0.667 CB 0.944 Z: 9 5.098 1.496 0.496 0.862 0.750 0.750 CB 0.788 Z: 8 3.507 1.434 0.100 0.481 0.857 0.857 CB 0.998 7 residues pruned to eliminate duplicates Z: 7 5.673 1.438 0.878 0.513 0.833 0.333 CB 1.015 Z: 7 5.464 1.444 0.451 0.684 0.833 0.667 N 1.079 Z: 16 5.440 1.851 0.189 0.329 0.733 0.400 CB 1.050 16 residues pruned to eliminate duplicates 6 1.342 1.151 0.784 0.483 0.600 0.400 O 0.496 ? Z: 6 2.343 1.529 0.070 0.231 0.800 0.600 CB 1.095 Z: 7 4.703 1.613 0.486 0.351 0.833 0.333 N 1.129 Z: 37 30.042 1.919 1.015 0.658 0.889 0.583 CB 1.257 44 residues pruned to eliminate duplicates Z: 12 6.774 1.706 0.125 0.464 0.818 0.636 CB 1.349 Z: 11 4.439 1.483 0.070 0.457 0.900 0.200 CB 1.027 7 residues pruned to eliminate duplicates Z: 19 12.763 1.886 0.641 0.436 0.778 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 12 5.013 1.466 0.419 0.773 0.909 0.818 CB 0.628 12 residues pruned to eliminate duplicates Z: 8 7.975 1.616 0.632 0.617 0.857 0.571 CB 1.194 7 residues pruned to eliminate duplicates Z: 13 6.808 1.521 0.202 0.806 1.000 0.917 CB 0.823 11 residues pruned to eliminate duplicates Z: 7 4.832 1.486 0.458 0.650 0.833 0.500 CB 0.950 Z: 6 3.165 1.436 0.181 0.344 1.000 0.800 CB 0.989 Z: 13 12.432 1.509 0.680 0.886 1.000 0.750 CB 1.022 13 residues pruned to eliminate duplicates 6 1.743 1.349 0.492 0.779 0.800 0.800 CB 0.378 ? Z: 15 6.595 1.552 0.617 0.565 0.857 0.571 CB 0.769 10 residues pruned to eliminate duplicates Z: 9 5.497 1.431 0.335 0.337 1.000 0.375 N 1.215 Z: 7 3.107 1.456 0.640 0.407 0.833 0.333 CB 0.703 Z: 8 3.119 1.384 0.261 0.361 0.714 0.571 N 1.097 Z: 16 14.087 1.785 0.508 0.844 0.933 0.733 CB 1.078 16 residues pruned to eliminate duplicates 6 1.758 1.047 0.745 0.404 0.800 0.600 N 0.595 ? Z: 8 2.264 1.317 0.561 0.310 0.571 0.429 N 0.899 8 residues pruned to eliminate duplicates Z: 8 2.513 1.562 0.498 0.288 0.571 0.429 O 0.902 Z: 8 2.513 1.369 0.021 0.332 0.714 0.429 N 1.144 Z: 14 10.828 1.609 0.549 0.796 0.923 0.615 CB 1.007 14 residues pruned to eliminate duplicates Z: 11 10.494 1.661 0.733 0.762 0.800 0.300 CB 1.142 11 residues pruned to eliminate duplicates Z: 6 4.234 1.329 0.760 0.591 1.000 0.600 CB 0.742 6 1.915 1.394 0.181 0.290 0.800 0.400 CB 0.823 ? Z: 8 3.233 1.301 0.274 0.700 0.714 0.571 CB 0.861 Z: 14 2.749 1.487 0.513 0.241 0.615 0.308 CB 0.743 9 1.311 1.415 0.463 0.120 0.500 0.250 CB 0.722 ? Z: 6 2.897 1.499 0.544 0.803 0.800 0.800 CB 0.537 Z: 6 4.186 1.216 0.377 0.775 1.000 0.600 CB 0.877 6 1.912 1.532 -0.315 0.310 1.000 0.600 CB 1.006 ? Z: 9 2.584 1.331 0.328 0.434 0.875 0.375 CB 0.633 Z: 7 3.921 1.485 -0.015 0.562 0.833 0.667 CB 1.237 Z: 7 8.168 1.595 0.643 0.766 0.833 0.667 CB 1.206 6 residues pruned to eliminate duplicates Z: 6 3.159 1.544 0.411 0.581 0.800 0.600 N 0.749 Z: 9 2.557 1.375 0.048 0.359 0.750 0.375 N 0.974 Z: 6 7.163 1.718 0.599 0.841 1.000 1.000 CB 0.870 Z: 7 4.750 1.374 1.127 0.357 0.833 0.500 CB 0.929 Z: 9 9.362 1.497 0.638 0.764 0.875 0.750 CB 1.221 Z: 7 8.892 1.786 0.581 0.524 1.000 0.667 CB 1.256 Z: 10 3.606 1.420 0.605 0.202 0.778 0.333 CB 0.966 Z: 21 9.189 1.501 0.476 0.580 0.900 0.550 CB 0.954 14 residues pruned to eliminate duplicates Z: 8 7.649 1.560 0.704 0.843 0.857 0.571 CB 0.945 Z: 8 4.069 1.558 0.281 0.380 0.714 0.429 O 1.226 8 residues pruned to eliminate duplicates Z: 11 3.697 1.565 0.555 0.184 0.700 0.100 CB 1.003 Z: 10 8.951 1.722 0.521 0.782 1.000 0.667 CB 0.888 7 residues pruned to eliminate duplicates 6 1.036 1.370 0.657 0.487 0.800 0.800 CB 0.259 ? Z: 7 14.045 1.925 0.969 0.658 0.833 0.333 CB 1.568 7 residues pruned to eliminate duplicates Z: 10 3.277 1.435 0.272 0.391 0.667 0.556 CB 1.007 10 residues pruned to eliminate duplicates Z: 8 3.310 1.558 0.936 0.278 0.571 0.571 CB 0.933 Z: 12 6.208 1.605 0.684 0.343 0.727 0.455 N 1.129 Z: 6 2.995 1.420 0.284 0.402 1.000 0.800 CB 0.815 Z: 8 5.834 1.438 0.641 0.889 0.857 0.857 CB 0.785 6 residues pruned to eliminate duplicates Z: 12 2.578 1.645 0.487 0.188 0.455 0.182 CB 1.016 9 residues pruned to eliminate duplicates Z: 14 9.818 1.682 0.309 0.669 0.846 0.385 CB 1.250 14 residues pruned to eliminate duplicates Z: 8 6.208 1.500 0.491 0.742 1.000 0.429 CB 0.844 Z: 11 7.131 1.417 0.563 0.669 1.000 0.600 CB 0.871 Using tripeptides from previous cycle as seeds Z: 6 13.866 1.810 0.744 0.851 1.000 1.000 CB 1.454 8 residues pruned to eliminate duplicates Z: 7 11.576 1.706 0.466 0.876 1.000 1.000 O 1.373 7 residues pruned to eliminate duplicates Z: 7 7.641 1.685 0.418 0.563 1.000 0.667 O 1.228 6 residues pruned to eliminate duplicates Z: 8 7.193 1.583 0.419 0.841 0.857 0.571 CB 1.053 8 residues pruned to eliminate duplicates Z: 8 6.830 1.645 0.550 0.504 0.714 0.571 CB 1.412 8 residues pruned to eliminate duplicates Z: 11 6.737 1.703 0.510 0.481 0.700 0.400 CB 1.206 11 residues pruned to eliminate duplicates Z: 15 14.826 1.803 0.625 0.682 0.786 0.500 CB 1.457 15 residues pruned to eliminate duplicates Z: 16 12.321 1.774 0.922 0.555 0.867 0.667 CB 1.020 16 residues pruned to eliminate duplicates Z: 19 13.207 1.732 0.570 0.589 0.833 0.611 CB 1.262 15 residues pruned to eliminate duplicates Z: 16 18.321 1.746 0.856 0.750 0.867 0.667 CB 1.347 20 residues pruned to eliminate duplicates Z: 12 16.540 1.839 0.856 0.814 0.909 0.909 CB 1.223 12 residues pruned to eliminate duplicates Z: 17 21.141 1.867 0.708 0.779 0.875 0.688 CB 1.481 17 residues pruned to eliminate duplicates Z: 13 17.744 1.803 0.728 0.803 0.917 0.833 CB 1.377 13 residues pruned to eliminate duplicates Z: 30 16.363 1.776 0.503 0.570 0.828 0.448 CB 1.285 30 residues pruned to eliminate duplicates Z: 17 25.535 1.779 1.077 0.893 1.000 0.875 CB 1.240 17 residues pruned to eliminate duplicates Z: 17 24.019 1.794 0.896 0.826 0.938 0.750 CB 1.419 22 residues pruned to eliminate duplicates Z: 19 18.020 1.744 0.797 0.794 0.778 0.722 CB 1.346 19 residues pruned to eliminate duplicates Z: 7 7.491 1.608 1.061 0.478 0.833 0.333 CB 1.132 6 residues pruned to eliminate duplicates Z: 8 12.902 1.569 1.121 0.862 1.000 0.857 CB 1.076 8 residues pruned to eliminate duplicates Z: 9 10.484 1.538 1.027 0.841 1.000 0.875 CB 0.886 9 residues pruned to eliminate duplicates Z: 8 13.829 1.619 1.015 0.717 1.000 0.429 CB 1.317 8 residues pruned to eliminate duplicates Z: 6 7.834 1.625 0.814 0.711 0.800 0.600 CB 1.226 6 residues pruned to eliminate duplicates Z: 7 4.815 1.638 0.985 0.599 0.667 0.500 CB 0.825 7 residues pruned to eliminate duplicates Z: 7 9.272 1.563 1.084 0.713 0.833 0.667 CB 1.149 7 residues pruned to eliminate duplicates Z: 7 9.790 1.617 0.697 0.818 1.000 0.833 CB 1.105 7 residues pruned to eliminate duplicates Z: 16 10.006 1.950 0.645 0.310 0.667 0.467 CB 1.491 16 residues pruned to eliminate duplicates Z: 17 6.211 1.826 0.517 0.244 0.562 0.312 CB 1.340 23 residues pruned to eliminate duplicates Z: 6 6.609 2.107 0.400 0.246 1.000 0.600 CB 1.343 6 residues pruned to eliminate duplicates Z: 23 15.271 2.046 0.640 0.436 0.727 0.545 CB 1.426 23 residues pruned to eliminate duplicates Z: 15 13.967 2.068 0.642 0.535 0.786 0.429 CB 1.352 21 residues pruned to eliminate duplicates Z: 20 19.510 2.061 0.676 0.559 0.842 0.737 CB 1.454 20 residues pruned to eliminate duplicates Z: 23 14.150 1.964 0.645 0.372 0.773 0.636 CB 1.386 39 residues pruned to eliminate duplicates Z: 21 21.139 2.036 0.630 0.552 0.950 0.750 CB 1.424 21 residues pruned to eliminate duplicates Z: 22 17.620 2.021 0.808 0.418 0.810 0.619 CB 1.415 29 residues pruned to eliminate duplicates Z: 13 8.545 1.680 0.377 0.588 0.917 0.583 CB 1.069 13 residues pruned to eliminate duplicates Z: 32 13.151 1.972 0.440 0.330 0.839 0.516 CB 1.196 32 residues pruned to eliminate duplicates Z: 27 16.965 1.909 0.630 0.431 0.808 0.500 CB 1.422 27 residues pruned to eliminate duplicates Z: 23 20.543 1.911 0.761 0.496 0.909 0.682 CB 1.438 22 residues pruned to eliminate duplicates Z: 6 2.602 1.478 0.483 0.281 0.600 0.400 O 1.133 6 residues pruned to eliminate duplicates Z: 28 15.927 1.959 0.619 0.425 0.741 0.407 CB 1.411 28 residues pruned to eliminate duplicates Z: 6 13.246 1.866 1.165 0.627 1.000 0.600 CB 1.301 6 residues pruned to eliminate duplicates Z: 8 8.973 2.027 0.581 0.602 0.857 0.429 CB 1.120 8 residues pruned to eliminate duplicates Z: 10 9.027 1.934 0.639 0.449 0.778 0.222 CB 1.285 10 residues pruned to eliminate duplicates Z: 27 18.523 1.923 0.773 0.510 0.808 0.538 CB 1.306 26 residues pruned to eliminate duplicates Z: 6 3.145 1.493 0.239 0.280 0.800 0.400 CB 1.219 6 residues pruned to eliminate duplicates Z: 16 7.459 1.928 0.209 0.205 0.867 0.467 CB 1.353 24 residues pruned to eliminate duplicates Z: 17 6.036 1.938 0.326 0.119 0.750 0.562 CB 1.266 17 residues pruned to eliminate duplicates Z: 7 3.435 1.896 0.333 0.243 0.667 0.333 CB 1.120 7 residues pruned to eliminate duplicates Z: 19 7.130 1.798 0.528 0.188 0.667 0.500 CB 1.334 19 residues pruned to eliminate duplicates Z: 26 14.711 1.992 0.632 0.360 0.800 0.520 CB 1.315 26 residues pruned to eliminate duplicates Z: 12 6.311 1.992 -0.053 0.226 0.909 0.636 CB 1.527 12 residues pruned to eliminate duplicates Z: 14 9.425 1.987 0.569 0.195 0.846 0.538 CB 1.425 14 residues pruned to eliminate duplicates Z: 22 10.876 1.895 0.498 0.243 0.762 0.286 CB 1.477 22 residues pruned to eliminate duplicates Z: 19 8.680 1.939 0.425 0.241 0.833 0.556 CB 1.200 19 residues pruned to eliminate duplicates Z: 9 5.390 1.968 0.241 0.303 0.750 0.500 CB 1.296 9 residues pruned to eliminate duplicates Z: 13 5.533 1.837 0.403 0.293 0.833 0.333 CB 0.937 13 residues pruned to eliminate duplicates Z: 20 9.711 1.969 0.540 0.189 0.789 0.421 CB 1.350 20 residues pruned to eliminate duplicates Z: 18 5.159 1.873 0.399 0.209 0.706 0.235 CB 0.954 18 residues pruned to eliminate duplicates Z: 37 14.204 1.946 0.337 0.323 0.861 0.556 CB 1.284 37 residues pruned to eliminate duplicates Z: 11 8.163 1.939 0.393 0.329 0.900 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 17 7.300 1.927 0.294 0.291 0.875 0.562 CB 1.057 17 residues pruned to eliminate duplicates Z: 16 7.182 1.942 0.383 0.262 0.800 0.667 CB 1.132 16 residues pruned to eliminate duplicates Z: 24 10.436 1.960 0.344 0.255 0.826 0.652 CB 1.324 24 residues pruned to eliminate duplicates Z: 18 8.370 1.980 0.202 0.306 0.824 0.471 CB 1.284 18 residues pruned to eliminate duplicates Z: 27 7.779 1.886 0.194 0.206 0.731 0.423 CB 1.314 27 residues pruned to eliminate duplicates Z: 18 9.073 1.965 0.643 0.344 0.824 0.588 CB 0.980 18 residues pruned to eliminate duplicates Z: 21 10.301 1.958 0.597 0.303 0.750 0.550 CB 1.224 21 residues pruned to eliminate duplicates Z: 9 3.838 1.828 0.356 0.310 0.500 0.250 CB 1.352 9 residues pruned to eliminate duplicates Z: 27 10.364 1.949 0.382 0.258 0.769 0.500 CB 1.294 27 residues pruned to eliminate duplicates Z: 22 9.781 1.912 0.430 0.364 0.762 0.429 CB 1.186 22 residues pruned to eliminate duplicates Z: 11 6.046 1.820 0.193 0.579 0.700 0.400 CB 1.166 11 residues pruned to eliminate duplicates Z: 7 3.746 1.929 0.126 0.628 0.667 0.333 CB 0.936 7 residues pruned to eliminate duplicates Z: 15 6.586 1.684 0.535 0.375 0.643 0.357 CB 1.211 15 residues pruned to eliminate duplicates Z: 8 8.557 1.917 0.315 0.589 1.000 0.429 CB 1.178 8 residues pruned to eliminate duplicates Z: 51 16.871 1.900 0.434 0.384 0.800 0.520 CB 1.238 51 residues pruned to eliminate duplicates Z: 45 20.945 1.979 0.713 0.368 0.818 0.523 CB 1.311 45 residues pruned to eliminate duplicates Z: 16 8.636 1.837 0.631 0.489 0.667 0.333 CB 1.129 16 residues pruned to eliminate duplicates Z: 29 23.196 1.955 0.723 0.567 0.893 0.500 CB 1.367 29 residues pruned to eliminate duplicates Z: 17 15.186 1.917 0.675 0.601 0.938 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 28 14.233 1.888 0.499 0.519 0.778 0.444 CB 1.221 28 residues pruned to eliminate duplicates Z: 20 13.720 1.896 0.602 0.663 0.842 0.737 CB 1.058 20 residues pruned to eliminate duplicates Z: 52 19.299 1.919 0.504 0.398 0.804 0.569 CB 1.297 52 residues pruned to eliminate duplicates Z: 12 6.969 1.812 0.186 0.730 0.909 0.909 CB 0.875 12 residues pruned to eliminate duplicates Z: 20 14.729 1.812 0.724 0.656 0.842 0.632 CB 1.112 20 residues pruned to eliminate duplicates Z: 32 12.524 1.787 0.539 0.349 0.806 0.419 CB 1.194 32 residues pruned to eliminate duplicates Z: 51 23.557 1.968 0.603 0.463 0.880 0.600 CB 1.246 51 residues pruned to eliminate duplicates Z: 23 18.047 1.944 0.594 0.658 0.955 0.636 CB 1.124 23 residues pruned to eliminate duplicates Z: 19 14.611 1.852 0.800 0.561 0.889 0.500 CB 1.096 19 residues pruned to eliminate duplicates Z: 32 17.734 1.834 0.776 0.478 0.806 0.581 CB 1.240 32 residues pruned to eliminate duplicates Z: 14 20.312 1.991 1.021 0.630 0.846 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 19 13.496 1.831 0.597 0.501 0.889 0.500 CB 1.223 19 residues pruned to eliminate duplicates Z: 18 14.533 1.788 0.844 0.440 0.824 0.529 CB 1.381 18 residues pruned to eliminate duplicates Z: 27 23.290 1.921 0.867 0.555 0.846 0.577 CB 1.426 27 residues pruned to eliminate duplicates Z: 24 22.509 1.953 0.835 0.692 1.000 0.783 CB 1.098 24 residues pruned to eliminate duplicates Z: 16 25.232 1.976 1.055 0.734 0.867 0.667 CB 1.500 16 residues pruned to eliminate duplicates Z: 16 20.652 1.904 1.081 0.678 0.800 0.533 CB 1.428 16 residues pruned to eliminate duplicates Z: 18 20.650 1.859 1.090 0.635 0.824 0.471 CB 1.379 18 residues pruned to eliminate duplicates Z: 18 30.161 2.040 0.991 0.718 1.000 0.471 CB 1.478 18 residues pruned to eliminate duplicates Z: 16 31.506 1.982 1.317 0.769 1.000 0.667 CB 1.396 16 residues pruned to eliminate duplicates Z: 22 18.786 1.955 0.884 0.521 0.762 0.143 CB 1.432 22 residues pruned to eliminate duplicates Z: 32 18.439 1.997 0.611 0.466 0.806 0.323 CB 1.321 34 residues pruned to eliminate duplicates Z: 14 19.838 1.979 0.946 0.785 0.923 0.154 CB 1.204 14 residues pruned to eliminate duplicates Z: 18 28.847 1.984 1.049 0.730 1.000 0.647 CB 1.399 18 residues pruned to eliminate duplicates Z: 30 24.207 2.019 0.766 0.556 0.897 0.276 CB 1.331 30 residues pruned to eliminate duplicates Z: 39 21.630 1.958 0.585 0.454 0.895 0.474 CB 1.325 39 residues pruned to eliminate duplicates Z: 47 26.144 1.926 0.797 0.532 0.826 0.413 CB 1.307 47 residues pruned to eliminate duplicates Z: 19 6.927 1.936 0.126 0.210 0.833 0.333 CB 1.266 19 residues pruned to eliminate duplicates Z: 14 9.272 2.057 0.245 0.270 0.923 0.231 CB 1.413 14 residues pruned to eliminate duplicates Z: 17 10.073 1.946 0.347 0.222 0.875 0.438 CB 1.520 17 residues pruned to eliminate duplicates Z: 29 24.812 2.035 0.789 0.549 0.929 0.250 CB 1.322 29 residues pruned to eliminate duplicates Z: 13 9.597 2.025 0.311 0.237 0.833 0.167 CB 1.700 13 residues pruned to eliminate duplicates Z: 43 27.829 1.948 0.661 0.560 0.952 0.524 CB 1.315 43 residues pruned to eliminate duplicates Z: 36 18.914 1.953 0.540 0.441 0.829 0.429 CB 1.363 36 residues pruned to eliminate duplicates Z: 24 8.747 1.906 0.510 0.226 0.696 0.130 CB 1.255 24 residues pruned to eliminate duplicates Z: 22 8.532 1.844 0.382 0.307 0.810 0.476 CB 1.118 22 residues pruned to eliminate duplicates Z: 15 10.948 2.047 0.395 0.265 0.857 0.214 CB 1.563 15 residues pruned to eliminate duplicates Z: 36 23.909 2.005 0.632 0.568 0.857 0.371 CB 1.349 36 residues pruned to eliminate duplicates Z: 10 4.501 1.737 0.091 0.360 0.778 0.444 CB 1.184 10 residues pruned to eliminate duplicates Z: 17 12.175 2.013 0.262 0.367 0.875 0.438 CB 1.579 17 residues pruned to eliminate duplicates Z: 6 2.937 1.705 0.087 0.436 0.800 0.400 CB 0.946 6 residues pruned to eliminate duplicates Z: 18 11.737 2.062 0.241 0.374 0.882 0.235 CB 1.443 18 residues pruned to eliminate duplicates Z: 31 7.398 1.732 0.306 0.285 0.733 0.433 CB 1.038 17 residues pruned to eliminate duplicates Z: 25 11.342 1.708 0.714 0.295 0.792 0.458 CB 1.257 56 residues pruned to eliminate duplicates Z: 6 3.109 1.568 0.242 0.302 0.800 0.600 N 1.113 Z: 7 6.368 1.555 0.555 0.470 1.000 0.333 O 1.108 5 residues pruned to eliminate duplicates Z: 7 4.920 1.730 0.545 0.279 0.833 0.667 CB 1.157 7 residues pruned to eliminate duplicates Z: 29 19.426 1.907 0.643 0.535 0.929 0.643 CB 1.219 37 residues pruned to eliminate duplicates Z: 16 13.140 1.892 0.596 0.335 0.933 0.533 N 1.441 16 residues pruned to eliminate duplicates Z: 32 14.877 1.853 0.611 0.482 0.871 0.645 CB 1.047 32 residues pruned to eliminate duplicates Z: 30 20.117 1.882 0.602 0.518 0.931 0.759 CB 1.307 30 residues pruned to eliminate duplicates Z: 39 26.954 1.925 0.672 0.631 0.974 0.842 CB 1.234 39 residues pruned to eliminate duplicates Z: 41 27.101 1.841 0.630 0.564 1.000 0.625 CB 1.342 41 residues pruned to eliminate duplicates Z: 21 16.489 1.808 0.458 0.613 0.900 0.650 CB 1.396 21 residues pruned to eliminate duplicates Z: 34 22.496 1.845 0.603 0.464 0.970 0.636 CB 1.417 34 residues pruned to eliminate duplicates Z: 19 25.029 1.822 0.726 0.820 0.944 0.667 N 1.504 18 residues pruned to eliminate duplicates Z: 15 22.990 1.859 0.733 0.900 0.929 0.714 N 1.467 16 residues pruned to eliminate duplicates Z: 19 25.446 1.792 0.706 0.848 1.000 0.722 N 1.456 19 residues pruned to eliminate duplicates Z: 35 24.993 1.857 0.763 0.507 0.912 0.618 CB 1.427 35 residues pruned to eliminate duplicates Z: 42 30.716 1.923 0.640 0.660 0.976 0.756 CB 1.344 42 residues pruned to eliminate duplicates Z: 43 29.636 1.894 0.714 0.633 0.952 0.762 CB 1.305 43 residues pruned to eliminate duplicates Z: 43 29.139 1.890 0.667 0.621 0.952 0.667 CB 1.337 43 residues pruned to eliminate duplicates Z: 44 24.258 1.815 0.692 0.506 0.930 0.512 CB 1.287 44 residues pruned to eliminate duplicates Z: 43 30.532 1.907 0.682 0.642 1.000 0.762 CB 1.286 43 residues pruned to eliminate duplicates Z: 35 26.279 1.908 0.623 0.585 0.971 0.559 CB 1.382 35 residues pruned to eliminate duplicates Z: 40 28.450 1.902 0.664 0.601 0.974 0.590 CB 1.342 40 residues pruned to eliminate duplicates Z: 37 20.070 1.880 0.625 0.519 0.861 0.472 CB 1.248 37 residues pruned to eliminate duplicates Z: 12 10.032 1.811 0.326 0.636 0.909 0.727 CB 1.220 9 residues pruned to eliminate duplicates Z: 18 10.052 1.762 0.340 0.472 0.765 0.529 CB 1.390 22 residues pruned to eliminate duplicates Z: 9 13.679 1.828 0.451 0.880 1.000 1.000 CB 1.321 9 residues pruned to eliminate duplicates Z: 6 6.653 2.002 0.500 0.473 0.600 0.600 CB 1.698 6 residues pruned to eliminate duplicates Z: 6 2.561 1.727 0.023 0.577 0.400 0.200 CB 1.506 6 residues pruned to eliminate duplicates Z: 11 7.497 1.483 0.706 0.642 0.800 0.500 CB 1.026 19 residues pruned to eliminate duplicates Z: 11 8.058 1.488 0.619 0.794 0.900 0.600 CB 0.909 11 residues pruned to eliminate duplicates Z: 7 6.832 1.377 0.665 0.793 1.000 0.500 CB 0.941 7 residues pruned to eliminate duplicates Z: 11 7.864 1.481 0.455 0.706 0.900 0.800 CB 1.063 11 residues pruned to eliminate duplicates Z: 7 4.292 1.478 0.465 0.392 0.833 0.500 CB 1.089 7 residues pruned to eliminate duplicates Z: 6 2.188 1.341 0.416 0.386 0.800 0.200 CB 0.727 Z: 18 18.842 1.850 0.410 0.894 1.000 0.824 CB 1.256 Z: 15 13.535 1.802 0.545 0.832 0.929 0.786 CB 1.050 15 residues pruned to eliminate duplicates Z: 10 13.239 1.877 0.708 0.709 1.000 0.778 CB 1.139 10 residues pruned to eliminate duplicates Z: 8 12.854 1.922 0.887 0.619 0.857 0.714 CB 1.396 8 residues pruned to eliminate duplicates Z: 10 12.200 1.690 0.620 0.689 1.000 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 11 8.407 1.827 0.654 0.624 0.700 0.600 CB 1.119 11 residues pruned to eliminate duplicates Z: 27 17.847 1.909 0.756 0.453 0.923 0.577 CB 1.186 45 residues pruned to eliminate duplicates Z: 13 9.802 1.953 0.652 0.408 0.833 0.500 CB 1.160 Z: 15 14.099 1.848 0.696 0.864 0.857 0.643 CB 1.029 9 residues pruned to eliminate duplicates Z: 19 17.664 1.823 0.654 0.880 1.000 0.722 CB 1.000 19 residues pruned to eliminate duplicates Z: 18 16.938 1.785 0.873 0.873 0.941 0.706 CB 0.951 18 residues pruned to eliminate duplicates Z: 17 16.330 1.806 0.726 0.851 0.938 0.625 CB 1.034 17 residues pruned to eliminate duplicates Z: 9 12.675 1.990 0.738 0.767 0.875 0.750 CB 1.168 9 residues pruned to eliminate duplicates Z: 17 13.650 1.812 0.547 0.786 0.938 0.688 CB 1.010 17 residues pruned to eliminate duplicates Z: 8 7.494 1.840 -0.038 0.865 1.000 0.857 CB 1.172 8 residues pruned to eliminate duplicates Z: 9 11.567 1.809 0.294 0.893 1.000 1.000 CB 1.254 10 residues pruned to eliminate duplicates Z: 7 10.506 1.794 0.235 0.885 1.000 1.000 CB 1.397 7 residues pruned to eliminate duplicates Z: 11 9.653 1.665 0.333 0.753 0.900 0.900 CB 1.219 11 residues pruned to eliminate duplicates Z: 12 11.024 1.703 0.856 0.512 0.818 0.727 CB 1.269 7 residues pruned to eliminate duplicates Z: 8 13.317 1.832 0.494 0.891 1.000 0.857 CB 1.322 8 residues pruned to eliminate duplicates Z: 9 4.706 1.710 0.299 0.413 0.625 0.625 CB 1.314 9 residues pruned to eliminate duplicates Z: 7 4.911 1.642 0.300 0.605 0.833 0.833 O 1.020 7 residues pruned to eliminate duplicates Z: 16 7.466 1.531 0.528 0.425 0.867 0.667 CB 1.027 Z: 6 4.395 1.408 0.991 0.756 0.800 0.200 CB 0.698 6 residues pruned to eliminate duplicates Z: 12 7.581 1.512 0.673 0.383 0.909 0.636 N 1.126 12 residues pruned to eliminate duplicates Z: 16 6.916 1.672 0.321 0.367 0.733 0.267 CB 1.272 16 residues pruned to eliminate duplicates Z: 11 5.435 1.663 0.260 0.258 0.800 0.400 CB 1.354 6 residues pruned to eliminate duplicates Z: 12 9.076 1.752 0.401 0.789 0.818 0.727 CB 1.057 37 residues pruned to eliminate duplicates Z: 9 10.583 1.861 0.534 0.847 1.000 0.625 CB 0.973 9 residues pruned to eliminate duplicates Z: 19 10.544 1.761 0.439 0.678 0.722 0.444 CB 1.152 19 residues pruned to eliminate duplicates Z: 13 11.245 1.762 0.427 0.705 0.917 0.500 CB 1.169 13 residues pruned to eliminate duplicates Z: 19 11.659 1.820 0.400 0.667 0.722 0.556 CB 1.279 19 residues pruned to eliminate duplicates Z: 17 10.653 1.739 0.557 0.570 0.750 0.312 CB 1.225 17 residues pruned to eliminate duplicates Z: 22 7.869 1.717 0.437 0.316 0.810 0.286 CB 1.054 22 residues pruned to eliminate duplicates Z: 16 10.633 1.788 0.483 0.515 0.800 0.400 CB 1.275 16 residues pruned to eliminate duplicates Z: 13 9.857 1.760 0.650 0.582 0.833 0.583 CB 1.088 13 residues pruned to eliminate duplicates Z: 25 10.867 1.784 0.190 0.526 0.833 0.417 CB 1.222 25 residues pruned to eliminate duplicates Z: 18 13.270 1.815 0.704 0.582 0.706 0.471 CB 1.362 18 residues pruned to eliminate duplicates Z: 22 13.895 1.787 0.670 0.515 0.762 0.429 CB 1.314 22 residues pruned to eliminate duplicates Z: 18 12.810 1.784 0.556 0.687 0.765 0.471 CB 1.232 18 residues pruned to eliminate duplicates Z: 14 11.597 1.820 0.582 0.509 0.846 0.462 CB 1.308 14 residues pruned to eliminate duplicates Z: 20 18.549 1.871 0.744 0.576 0.842 0.474 CB 1.440 18 residues pruned to eliminate duplicates Z: 10 14.127 1.729 0.831 0.668 0.889 0.333 N 1.432 10 residues pruned to eliminate duplicates Z: 17 12.127 1.756 0.733 0.414 0.750 0.438 CB 1.453 17 residues pruned to eliminate duplicates Z: 15 13.591 1.759 0.666 0.432 0.929 0.286 CB 1.432 15 residues pruned to eliminate duplicates Z: 13 4.529 1.565 0.322 0.243 0.917 0.417 CB 0.927 Z: 8 7.119 1.743 0.476 0.628 0.857 0.429 CB 1.082 8 residues pruned to eliminate duplicates Z: 9 6.888 1.697 0.507 0.641 0.875 0.875 CB 0.954 9 residues pruned to eliminate duplicates Z: 11 10.165 1.744 0.465 0.633 0.900 0.300 CB 1.233 11 residues pruned to eliminate duplicates Z: 11 9.468 1.763 0.714 0.574 0.800 0.600 CB 1.153 11 residues pruned to eliminate duplicates Z: 12 9.220 1.776 0.509 0.532 0.818 0.545 CB 1.228 12 residues pruned to eliminate duplicates Z: 23 9.892 1.613 0.425 0.383 0.864 0.636 CB 1.203 17 residues pruned to eliminate duplicates Z: 11 14.445 1.751 0.440 0.874 1.000 0.700 CB 1.318 18 residues pruned to eliminate duplicates Z: 10 13.339 1.795 0.613 0.755 0.889 0.889 CB 1.376 10 residues pruned to eliminate duplicates Z: 16 11.014 1.723 0.573 0.473 0.867 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 11 4.917 1.669 0.435 0.303 0.700 0.500 CB 1.155 17 residues pruned to eliminate duplicates Z: 7 4.175 1.385 0.400 0.531 0.833 0.667 N 1.023 7 residues pruned to eliminate duplicates Z: 16 8.807 1.745 0.468 0.350 0.800 0.467 CB 1.306 16 residues pruned to eliminate duplicates Z: 26 15.316 1.782 0.682 0.457 0.800 0.480 CB 1.335 26 residues pruned to eliminate duplicates Z: 10 17.200 1.882 0.727 0.686 0.889 0.444 CB 1.673 10 residues pruned to eliminate duplicates Z: 8 11.839 1.996 0.503 0.701 0.714 0.571 N 1.740 8 residues pruned to eliminate duplicates Z: 26 9.543 1.707 0.529 0.345 0.760 0.400 CB 1.139 26 residues pruned to eliminate duplicates Z: 15 9.966 1.851 0.423 0.451 0.714 0.429 CB 1.489 15 residues pruned to eliminate duplicates Z: 8 8.329 1.774 0.659 0.551 0.714 0.429 N 1.426 8 residues pruned to eliminate duplicates Z: 16 14.960 1.900 0.886 0.369 0.867 0.400 CB 1.432 16 residues pruned to eliminate duplicates Z: 33 14.823 1.840 0.608 0.400 0.781 0.500 CB 1.260 33 residues pruned to eliminate duplicates Z: 14 11.809 1.924 0.722 0.350 0.846 0.462 CB 1.374 14 residues pruned to eliminate duplicates Z: 16 13.194 1.971 0.766 0.428 0.733 0.600 CB 1.438 16 residues pruned to eliminate duplicates Z: 18 17.395 1.904 0.982 0.426 0.824 0.529 CB 1.467 17 residues pruned to eliminate duplicates Z: 11 9.381 1.542 0.576 0.806 0.900 0.700 CB 1.039 9 residues pruned to eliminate duplicates Z: 7 4.225 1.386 0.492 0.745 0.667 0.500 O 1.005 7 residues pruned to eliminate duplicates Z: 13 13.270 1.800 0.642 0.755 0.917 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 14 12.068 1.798 0.547 0.677 0.923 0.462 CB 1.107 14 residues pruned to eliminate duplicates Z: 13 10.855 1.804 0.586 0.565 0.917 0.583 CB 1.122 13 residues pruned to eliminate duplicates Z: 12 11.828 1.859 0.381 0.553 1.000 0.545 CB 1.319 12 residues pruned to eliminate duplicates Z: 12 12.432 1.808 0.659 0.471 1.000 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 15 9.546 1.788 0.526 0.463 0.786 0.429 CB 1.236 15 residues pruned to eliminate duplicates Z: 12 10.576 1.828 0.733 0.471 0.909 0.455 CB 1.141 12 residues pruned to eliminate duplicates Z: 24 9.765 1.751 0.481 0.423 0.870 0.435 CB 0.979 24 residues pruned to eliminate duplicates Z: 22 10.615 1.808 0.502 0.458 0.810 0.286 CB 1.100 22 residues pruned to eliminate duplicates Z: 15 12.969 1.869 0.800 0.486 0.857 0.429 CB 1.219 15 residues pruned to eliminate duplicates Z: 23 10.590 1.735 0.388 0.494 0.818 0.591 CB 1.153 23 residues pruned to eliminate duplicates Z: 19 11.475 1.780 0.542 0.476 0.889 0.444 CB 1.136 19 residues pruned to eliminate duplicates Z: 6 4.714 1.535 0.221 0.818 1.000 0.800 N 0.853 Z: 6 4.461 1.512 0.439 0.716 0.800 0.200 N 0.942 6 residues pruned to eliminate duplicates Z: 6 2.322 1.521 0.025 0.678 0.800 0.600 CB 0.707 3 residues pruned to eliminate duplicates Z: 7 4.897 1.473 0.493 0.783 0.833 0.667 CB 0.850 7 residues pruned to eliminate duplicates Z: 7 4.165 1.503 0.341 0.527 0.833 0.500 CB 0.987 7 residues pruned to eliminate duplicates Z: 13 12.088 1.538 0.684 0.840 0.917 0.583 CB 1.097 12 residues pruned to eliminate duplicates Z: 15 13.306 1.553 0.697 0.824 0.929 0.571 CB 1.098 23 residues pruned to eliminate duplicates Z: 6 2.183 1.340 -0.065 0.506 0.800 0.400 CB 0.968 6 residues pruned to eliminate duplicates Z: 14 5.561 1.558 0.301 0.494 0.692 0.308 CB 1.106 14 residues pruned to eliminate duplicates Z: 11 7.618 1.694 0.290 0.714 0.800 0.700 CB 1.135 11 residues pruned to eliminate duplicates Z: 8 7.050 1.748 0.453 0.739 0.714 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 12 8.912 1.693 0.320 0.739 0.818 0.455 CB 1.186 12 residues pruned to eliminate duplicates Z: 13 6.618 1.612 0.285 0.571 0.750 0.500 CB 1.148 13 residues pruned to eliminate duplicates Z: 27 11.625 1.562 0.371 0.597 0.808 0.462 CB 1.203 38 residues pruned to eliminate duplicates Z: 15 11.355 1.507 0.618 0.774 0.929 0.571 CB 1.052 15 residues pruned to eliminate duplicates Z: 12 7.380 1.654 0.393 0.491 0.909 0.636 CB 1.072 12 residues pruned to eliminate duplicates Z: 20 9.196 1.571 0.378 0.666 0.789 0.368 CB 1.059 20 residues pruned to eliminate duplicates Z: 12 10.831 1.610 0.608 0.632 0.909 0.545 N 1.226 13 residues pruned to eliminate duplicates Z: 9 4.453 1.564 0.518 0.465 0.625 0.375 CB 1.100 9 residues pruned to eliminate duplicates Z: 13 5.970 1.581 0.258 0.540 0.667 0.167 CB 1.250 13 residues pruned to eliminate duplicates Z: 9 5.996 1.606 0.423 0.578 0.875 0.625 CB 0.983 6 residues pruned to eliminate duplicates Z: 10 11.669 1.593 0.455 0.906 1.000 0.889 CB 1.193 10 residues pruned to eliminate duplicates Z: 9 8.544 1.646 0.519 0.542 1.000 0.250 CB 1.160 9 residues pruned to eliminate duplicates Z: 13 11.471 1.517 0.781 0.874 0.917 0.833 CB 0.973 13 residues pruned to eliminate duplicates Z: 13 14.154 1.619 0.729 0.770 1.000 0.500 CB 1.149 13 residues pruned to eliminate duplicates Z: 16 11.548 1.447 0.688 0.552 1.000 0.533 CB 1.160 16 residues pruned to eliminate duplicates Z: 13 12.868 1.540 0.781 0.843 0.917 0.667 CB 1.100 13 residues pruned to eliminate duplicates Z: 15 11.342 1.566 0.791 0.701 0.929 0.571 CB 0.969 15 residues pruned to eliminate duplicates Z: 16 12.210 1.485 0.696 0.667 0.933 0.400 CB 1.150 16 residues pruned to eliminate duplicates Z: 17 7.485 1.509 0.457 0.390 0.875 0.375 CB 1.094 13 residues pruned to eliminate duplicates Z: 12 6.199 1.425 0.945 0.754 0.727 0.273 CB 0.739 12 residues pruned to eliminate duplicates Z: 11 3.019 1.323 0.759 0.428 0.800 0.600 CB 0.553 9 residues pruned to eliminate duplicates Z: 11 11.621 1.707 0.350 0.868 1.000 0.900 CB 1.166 11 residues pruned to eliminate duplicates Z: 13 8.644 1.583 0.619 0.427 1.000 0.583 N 1.051 9 residues pruned to eliminate duplicates Z: 16 11.380 1.675 0.667 0.778 0.800 0.467 CB 1.030 13 residues pruned to eliminate duplicates Z: 10 15.525 1.752 0.547 0.899 1.000 0.778 CB 1.365 16 residues pruned to eliminate duplicates Z: 10 12.340 1.729 0.516 0.871 1.000 0.889 CB 1.145 10 residues pruned to eliminate duplicates Z: 17 11.902 1.623 0.589 0.575 0.875 0.812 CB 1.227 17 residues pruned to eliminate duplicates Z: 13 14.788 1.729 0.607 0.881 1.000 0.917 CB 1.113 10 residues pruned to eliminate duplicates Z: 15 10.097 1.684 0.507 0.826 0.857 0.571 CB 0.936 15 residues pruned to eliminate duplicates Z: 19 8.826 1.656 0.476 0.565 0.778 0.333 CB 1.027 19 residues pruned to eliminate duplicates Z: 6 7.105 1.733 0.813 0.735 0.800 0.400 CB 1.024 6 residues pruned to eliminate duplicates Z: 13 5.912 1.506 0.639 0.492 0.750 0.333 CB 0.929 13 residues pruned to eliminate duplicates Z: 6 8.753 1.611 0.982 0.798 0.800 0.800 O 1.181 6 residues pruned to eliminate duplicates Z: 18 10.373 1.595 0.642 0.489 0.765 0.412 N 1.269 27 residues pruned to eliminate duplicates Z: 17 12.248 1.655 0.656 0.861 0.875 0.750 CB 0.938 17 residues pruned to eliminate duplicates Z: 9 7.800 1.606 0.475 0.777 1.000 0.625 CB 0.911 9 residues pruned to eliminate duplicates Z: 12 8.171 1.649 0.669 0.619 0.909 0.455 CB 0.880 8 residues pruned to eliminate duplicates Z: 8 12.398 1.788 0.726 0.822 1.000 0.714 CB 1.149 12 residues pruned to eliminate duplicates Z: 8 10.809 1.777 0.726 0.812 1.000 0.857 CB 1.015 8 residues pruned to eliminate duplicates Z: 7 10.794 1.829 0.947 0.736 0.833 0.667 CB 1.201 7 residues pruned to eliminate duplicates 8 1.988 1.626 0.360 0.200 0.429 0.429 CB 1.133 ? Z: 6 2.937 1.768 0.300 0.283 0.600 0.600 CB 1.217 Z: 8 3.164 1.369 0.400 0.263 0.857 0.286 N 0.954 Z: 7 6.039 1.699 0.876 0.263 0.833 0.500 N 1.216 6 residues pruned to eliminate duplicates Z: 8 12.024 1.745 0.840 0.725 0.857 0.714 CB 1.348 10 residues pruned to eliminate duplicates Z: 8 9.172 1.648 0.688 0.757 0.714 0.714 N 1.387 8 residues pruned to eliminate duplicates Z: 14 6.745 1.573 0.443 0.490 0.769 0.385 CB 1.082 14 residues pruned to eliminate duplicates Z: 9 5.225 1.488 0.590 0.580 0.625 0.375 O 1.156 9 residues pruned to eliminate duplicates Z: 6 5.525 1.623 0.491 0.691 0.800 0.400 CB 1.071 Z: 7 6.411 1.463 0.605 0.715 0.833 0.500 CB 1.101 13 residues pruned to eliminate duplicates Z: 24 12.191 1.647 0.742 0.398 0.826 0.478 CB 1.194 25 residues pruned to eliminate duplicates Z: 7 2.800 1.541 0.249 0.636 0.667 0.500 CB 0.785 7 residues pruned to eliminate duplicates Z: 9 4.771 1.672 0.186 0.349 1.000 0.625 CB 1.002 11 residues pruned to eliminate duplicates Z: 10 11.956 1.600 0.785 0.849 0.889 0.778 O 1.164 11 residues pruned to eliminate duplicates Z: 9 11.965 1.588 0.711 0.835 1.000 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 11 14.067 1.526 0.984 0.806 0.900 0.900 N 1.250 11 residues pruned to eliminate duplicates Z: 10 9.329 1.572 0.670 0.713 0.778 0.556 O 1.256 10 residues pruned to eliminate duplicates Z: 12 10.146 1.481 0.664 0.733 0.909 0.727 CB 1.107 12 residues pruned to eliminate duplicates Z: 11 15.608 1.594 0.786 0.825 1.000 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 11 15.054 1.570 0.739 0.891 1.000 0.900 CB 1.254 10 residues pruned to eliminate duplicates Z: 10 11.676 1.623 0.721 0.822 0.778 0.556 CB 1.355 10 residues pruned to eliminate duplicates Z: 10 14.456 1.626 0.698 0.861 1.000 0.778 CB 1.283 10 residues pruned to eliminate duplicates Z: 8 3.137 1.482 0.219 0.464 0.714 0.429 CB 0.953 8 residues pruned to eliminate duplicates Z: 14 3.815 1.477 0.362 0.446 0.692 0.462 CB 0.803 8 residues pruned to eliminate duplicates Z: 8 5.224 1.511 0.453 0.642 0.714 0.714 CB 1.102 8 residues pruned to eliminate duplicates Z: 14 12.292 1.481 0.417 0.870 1.000 0.846 O 1.186 20 residues pruned to eliminate duplicates Z: 12 11.657 1.453 0.422 0.884 1.000 0.727 N 1.229 12 residues pruned to eliminate duplicates Z: 6 4.872 1.520 0.536 0.735 0.800 0.600 CB 0.944 6 residues pruned to eliminate duplicates Z: 8 3.501 1.478 0.475 0.686 0.714 0.429 CB 0.717 8 residues pruned to eliminate duplicates Z: 7 7.531 1.584 0.410 0.685 1.000 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 6 6.583 1.552 0.906 0.644 0.800 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 7 4.368 1.506 0.363 0.685 0.667 0.500 N 1.099 7 residues pruned to eliminate duplicates Z: 9 5.924 1.326 0.829 0.641 0.750 0.500 N 1.009 9 residues pruned to eliminate duplicates Z: 14 13.039 1.853 0.501 0.608 0.923 0.538 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 12.549 1.878 0.878 0.754 0.833 0.583 CB 0.984 13 residues pruned to eliminate duplicates Z: 20 11.182 1.729 0.406 0.392 0.842 0.579 O 1.405 25 residues pruned to eliminate duplicates Z: 12 11.582 1.886 0.596 0.670 0.909 0.545 CB 1.091 12 residues pruned to eliminate duplicates Z: 23 13.381 1.744 0.501 0.522 0.818 0.545 CB 1.303 17 residues pruned to eliminate duplicates Z: 11 23.500 2.040 0.834 0.835 1.000 0.700 CB 1.487 15 residues pruned to eliminate duplicates Z: 15 15.505 1.895 0.692 0.807 1.000 0.786 CB 0.988 15 residues pruned to eliminate duplicates Z: 14 12.700 1.910 0.590 0.660 0.769 0.769 CB 1.301 14 residues pruned to eliminate duplicates Z: 23 12.438 1.762 0.390 0.524 0.864 0.727 CB 1.224 23 residues pruned to eliminate duplicates Z: 18 15.228 1.856 0.463 0.635 0.882 0.529 CB 1.358 18 residues pruned to eliminate duplicates Z: 24 15.651 1.833 0.476 0.591 0.870 0.565 CB 1.271 25 residues pruned to eliminate duplicates Z: 18 16.560 1.809 0.655 0.782 0.882 0.706 CB 1.186 18 residues pruned to eliminate duplicates Z: 36 11.934 1.702 0.581 0.423 0.771 0.400 CB 1.052 32 residues pruned to eliminate duplicates Z: 12 9.340 1.851 0.653 0.822 0.909 0.818 CB 0.766 8 residues pruned to eliminate duplicates Z: 17 15.489 1.910 0.666 0.763 0.938 0.750 CB 1.028 15 residues pruned to eliminate duplicates Z: 18 11.604 1.859 0.620 0.688 0.765 0.706 CB 1.029 18 residues pruned to eliminate duplicates Z: 45 14.535 1.746 0.511 0.485 0.818 0.659 CB 1.031 49 residues pruned to eliminate duplicates Z: 12 11.853 1.724 0.580 0.689 1.000 0.727 CB 1.103 12 residues pruned to eliminate duplicates Z: 16 11.403 1.858 0.639 0.468 0.867 0.600 CB 1.153 16 residues pruned to eliminate duplicates Z: 15 13.155 1.838 0.733 0.508 0.857 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 41 20.037 1.781 0.700 0.550 0.850 0.675 CB 1.172 41 residues pruned to eliminate duplicates Z: 20 14.473 1.891 0.786 0.485 0.789 0.316 CB 1.264 20 residues pruned to eliminate duplicates Z: 14 18.923 1.782 1.024 0.630 0.923 0.615 CB 1.396 14 residues pruned to eliminate duplicates Z: 23 17.557 1.797 0.792 0.645 0.864 0.591 CB 1.176 23 residues pruned to eliminate duplicates Z: 19 22.847 1.926 0.968 0.653 0.889 0.389 CB 1.387 19 residues pruned to eliminate duplicates Z: 16 24.661 1.991 1.127 0.734 0.933 0.467 CB 1.306 16 residues pruned to eliminate duplicates Z: 16 27.894 1.942 1.025 0.893 1.000 0.667 CB 1.315 16 residues pruned to eliminate duplicates Z: 17 22.780 1.846 0.910 0.897 1.000 0.750 CB 1.156 17 residues pruned to eliminate duplicates Z: 23 18.643 1.936 0.861 0.573 0.818 0.500 CB 1.257 23 residues pruned to eliminate duplicates Z: 20 15.893 1.896 0.787 0.575 0.789 0.368 CB 1.268 20 residues pruned to eliminate duplicates Z: 20 21.160 1.908 0.806 0.627 0.895 0.421 CB 1.397 20 residues pruned to eliminate duplicates Z: 49 21.626 1.889 0.614 0.451 0.812 0.417 CB 1.325 49 residues pruned to eliminate duplicates Z: 25 18.744 1.907 0.723 0.593 0.792 0.417 CB 1.345 25 residues pruned to eliminate duplicates Z: 40 20.049 1.890 0.673 0.492 0.795 0.462 CB 1.287 40 residues pruned to eliminate duplicates Z: 69 23.331 1.826 0.663 0.490 0.809 0.485 CB 1.164 74 residues pruned to eliminate duplicates Z: 6 6.664 1.749 0.469 0.481 0.800 0.600 O 1.478 6 residues pruned to eliminate duplicates Z: 9 9.623 2.034 0.395 0.375 1.000 0.375 CB 1.370 9 residues pruned to eliminate duplicates Z: 8 4.802 1.919 0.171 0.304 0.714 0.286 CB 1.406 8 residues pruned to eliminate duplicates Z: 40 22.056 1.892 0.737 0.471 0.821 0.410 CB 1.348 40 residues pruned to eliminate duplicates Z: 28 17.586 1.966 0.509 0.555 0.815 0.370 CB 1.327 28 residues pruned to eliminate duplicates Z: 30 22.538 1.927 0.571 0.551 0.966 0.586 CB 1.363 30 residues pruned to eliminate duplicates Z: 10 6.797 2.051 0.190 0.305 0.889 0.556 CB 1.297 10 residues pruned to eliminate duplicates Z: 41 20.236 1.862 0.478 0.549 0.925 0.550 CB 1.198 41 residues pruned to eliminate duplicates Z: 32 23.805 1.855 0.690 0.563 0.935 0.581 CB 1.371 32 residues pruned to eliminate duplicates Z: 16 11.761 1.712 0.554 0.626 0.800 0.667 CB 1.267 14 residues pruned to eliminate duplicates Z: 15 9.401 1.779 0.527 0.761 0.857 0.857 CB 0.855 15 residues pruned to eliminate duplicates Z: 12 9.947 1.742 0.564 0.559 0.818 0.545 CB 1.270 12 residues pruned to eliminate duplicates Z: 11 9.622 1.771 0.616 0.692 0.900 0.800 CB 0.991 11 residues pruned to eliminate duplicates Z: 20 13.655 1.706 0.700 0.608 0.789 0.579 CB 1.235 20 residues pruned to eliminate duplicates Z: 13 12.573 1.858 0.644 0.695 0.750 0.667 CB 1.326 13 residues pruned to eliminate duplicates Z: 13 16.791 1.888 0.714 0.866 0.833 0.833 CB 1.316 13 residues pruned to eliminate duplicates Z: 17 14.573 1.699 0.683 0.532 0.875 0.562 CB 1.411 15 residues pruned to eliminate duplicates Z: 12 17.400 1.911 0.526 0.887 0.909 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 15 15.523 1.872 0.722 0.755 0.786 0.714 CB 1.305 15 residues pruned to eliminate duplicates Z: 43 27.350 1.939 0.545 0.621 0.929 0.667 CB 1.353 47 residues pruned to eliminate duplicates Z: 15 19.144 1.819 0.589 0.877 1.000 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 11 6.356 1.672 0.529 0.602 0.800 0.600 CB 0.892 8 residues pruned to eliminate duplicates Z: 15 18.561 1.801 0.643 0.922 0.929 0.714 CB 1.269 17 residues pruned to eliminate duplicates Z: 14 14.460 1.876 0.548 0.876 0.923 0.769 CB 1.087 14 residues pruned to eliminate duplicates Z: 7 4.626 1.478 0.039 0.591 1.000 0.500 CB 1.128 Z: 10 5.133 1.555 0.110 0.803 0.889 0.778 CB 0.856 17 residues pruned to eliminate duplicates Z: 14 5.442 1.576 0.270 0.537 0.769 0.615 CB 0.945 25 residues pruned to eliminate duplicates Z: 11 8.983 1.533 0.536 0.705 0.900 0.800 CB 1.113 11 residues pruned to eliminate duplicates Z: 9 8.291 1.707 0.522 0.586 0.750 0.625 CB 1.385 9 residues pruned to eliminate duplicates Z: 9 6.519 1.692 0.596 0.560 0.625 0.375 N 1.288 9 residues pruned to eliminate duplicates Z: 6 5.907 1.716 0.986 0.665 0.600 0.000 N 1.109 6 residues pruned to eliminate duplicates Z: 8 11.189 1.691 0.831 0.663 0.857 0.429 N 1.371 16 residues pruned to eliminate duplicates Z: 15 12.092 1.569 0.493 0.781 0.929 0.357 CB 1.160 15 residues pruned to eliminate duplicates Z: 10 4.585 1.510 0.470 0.640 0.667 0.222 CB 0.907 10 residues pruned to eliminate duplicates Z: 13 6.039 1.576 0.521 0.541 0.667 0.333 CB 1.049 13 residues pruned to eliminate duplicates Z: 11 11.396 1.586 0.774 0.877 0.800 0.200 CB 1.163 11 residues pruned to eliminate duplicates Z: 8 3.603 1.342 0.638 0.416 0.714 0.429 CB 0.947 7 residues pruned to eliminate duplicates Z: 13 10.146 1.551 0.586 0.857 0.833 0.250 CB 1.053 13 residues pruned to eliminate duplicates Z: 10 4.674 1.422 0.325 0.643 0.778 0.444 CB 0.930 10 residues pruned to eliminate duplicates Z: 14 7.340 1.523 0.501 0.465 0.769 0.308 CB 1.200 12 residues pruned to eliminate duplicates Z: 6 3.606 1.232 0.409 0.822 0.800 0.400 CB 0.878 6 residues pruned to eliminate duplicates Z: 20 17.274 1.860 0.887 0.634 0.895 0.684 CB 1.112 20 residues pruned to eliminate duplicates Z: 11 10.845 1.643 0.693 0.761 0.900 0.400 CB 1.086 11 residues pruned to eliminate duplicates Z: 14 9.313 1.649 0.878 0.555 0.769 0.385 CB 1.028 14 residues pruned to eliminate duplicates Z: 15 12.056 1.792 0.514 0.616 0.786 0.429 CB 1.355 15 residues pruned to eliminate duplicates Z: 9 10.286 1.878 0.633 0.630 0.750 0.500 CB 1.399 9 residues pruned to eliminate duplicates Z: 10 12.555 1.819 0.621 0.695 0.889 0.333 CB 1.336 10 residues pruned to eliminate duplicates Z: 10 13.887 1.882 1.007 0.653 0.889 0.556 CB 1.195 10 residues pruned to eliminate duplicates Z: 20 10.871 1.778 0.448 0.394 0.842 0.211 CB 1.286 20 residues pruned to eliminate duplicates Z: 23 12.280 1.569 0.687 0.659 0.773 0.545 CB 1.104 23 residues pruned to eliminate duplicates Z: 9 9.514 1.784 0.350 0.593 0.875 0.625 CB 1.460 9 residues pruned to eliminate duplicates Z: 13 7.742 1.704 0.372 0.417 0.833 0.333 CB 1.251 13 residues pruned to eliminate duplicates Z: 20 7.494 1.703 0.401 0.275 0.737 0.368 CB 1.261 20 residues pruned to eliminate duplicates Z: 26 9.797 1.686 0.679 0.515 0.640 0.320 CB 1.065 26 residues pruned to eliminate duplicates Z: 18 6.482 1.683 0.478 0.346 0.647 0.235 CB 1.154 18 residues pruned to eliminate duplicates Z: 32 15.874 1.766 0.583 0.527 0.806 0.452 CB 1.231 30 residues pruned to eliminate duplicates Z: 8 7.932 1.488 0.670 0.737 0.857 0.571 N 1.138 8 residues pruned to eliminate duplicates Z: 10 4.893 1.579 0.435 0.240 0.778 0.222 N 1.251 7 residues pruned to eliminate duplicates Z: 11 9.464 1.709 0.483 0.541 0.800 0.500 CB 1.418 11 residues pruned to eliminate duplicates Z: 11 12.582 1.720 0.744 0.648 0.800 0.500 CB 1.444 11 residues pruned to eliminate duplicates Z: 12 11.791 1.725 0.718 0.545 0.818 0.273 N 1.403 15 residues pruned to eliminate duplicates Z: 7 8.813 1.633 0.496 0.596 1.000 0.333 O 1.343 7 residues pruned to eliminate duplicates Z: 33 14.159 1.720 0.521 0.504 0.781 0.281 CB 1.221 33 residues pruned to eliminate duplicates Z: 6 5.879 1.752 0.297 0.651 0.800 0.400 CB 1.257 6 residues pruned to eliminate duplicates Z: 20 9.854 1.716 0.140 0.491 0.842 0.263 CB 1.385 20 residues pruned to eliminate duplicates Z: 20 10.770 1.655 0.285 0.458 0.895 0.263 CB 1.355 20 residues pruned to eliminate duplicates Z: 16 11.070 1.758 0.561 0.434 0.867 0.533 CB 1.287 16 residues pruned to eliminate duplicates Z: 9 6.739 1.787 0.421 0.397 0.875 0.500 CB 1.195 9 residues pruned to eliminate duplicates Z: 30 14.608 1.750 0.464 0.521 0.828 0.586 CB 1.253 30 residues pruned to eliminate duplicates Z: 17 12.898 1.736 0.514 0.512 0.875 0.562 CB 1.385 17 residues pruned to eliminate duplicates Z: 8 3.645 1.457 -0.009 0.490 0.857 0.571 N 1.124 Z: 12 13.859 1.534 0.758 0.870 1.000 0.727 CB 1.131 21 residues pruned to eliminate duplicates Z: 9 8.424 1.580 0.609 0.855 0.875 0.500 CB 0.988 9 residues pruned to eliminate duplicates Z: 10 9.495 1.539 0.847 0.772 0.889 0.444 CB 0.985 10 residues pruned to eliminate duplicates Z: 9 7.378 1.666 0.709 0.646 0.750 0.375 CB 1.067 9 residues pruned to eliminate duplicates Z: 11 9.169 1.554 0.536 0.744 0.900 0.500 CB 1.085 11 residues pruned to eliminate duplicates Z: 13 8.198 1.521 0.395 0.790 0.917 0.500 CB 0.943 13 residues pruned to eliminate duplicates Z: 10 10.499 1.590 0.645 0.722 0.889 0.667 CB 1.231 10 residues pruned to eliminate duplicates Z: 11 10.070 1.546 0.600 0.814 0.900 0.800 CB 1.089 11 residues pruned to eliminate duplicates Z: 8 8.842 1.658 0.474 0.885 1.000 1.000 CB 0.987 8 residues pruned to eliminate duplicates Z: 6 4.505 1.431 0.151 0.817 0.800 0.800 CB 1.161 6 residues pruned to eliminate duplicates Z: 12 5.909 1.404 0.449 0.552 0.727 0.364 CB 1.144 11 residues pruned to eliminate duplicates Z: 7 5.608 1.317 0.560 0.829 0.833 0.500 CB 1.006 7 residues pruned to eliminate duplicates Z: 18 10.551 1.745 0.323 0.527 0.882 0.471 CB 1.223 24 residues pruned to eliminate duplicates Z: 8 5.901 1.593 0.747 0.363 0.714 0.429 N 1.301 8 residues pruned to eliminate duplicates Z: 10 9.055 1.820 0.110 0.549 1.000 0.556 CB 1.425 10 residues pruned to eliminate duplicates Z: 12 5.391 1.757 0.382 0.338 0.636 0.545 CB 1.256 12 residues pruned to eliminate duplicates Z: 9 2.921 1.246 0.589 0.401 0.750 0.500 CB 0.772 Z: 6 2.396 1.130 0.308 0.859 1.000 0.800 CB 0.533 5 residues pruned to eliminate duplicates Z: 6 5.082 1.391 0.618 0.833 1.000 1.000 CB 0.757 9 residues pruned to eliminate duplicates Z: 10 5.794 1.334 0.455 0.863 1.000 0.778 CB 0.730 5 residues pruned to eliminate duplicates Z: 7 4.027 1.356 0.918 0.683 1.000 0.333 CB 0.534 7 residues pruned to eliminate duplicates Z: 11 5.726 1.320 0.685 0.596 0.900 0.400 CB 0.825 9 residues pruned to eliminate duplicates Z: 9 5.646 1.371 0.654 0.715 1.000 0.500 CB 0.725 9 residues pruned to eliminate duplicates Z: 7 4.196 1.363 0.861 0.801 0.667 0.333 CB 0.779 7 residues pruned to eliminate duplicates Z: 10 2.180 1.317 0.335 0.243 0.778 0.333 N 0.715 Z: 6 3.808 1.547 0.415 0.450 0.800 0.000 CB 1.024 5 residues pruned to eliminate duplicates Z: 10 3.279 1.513 0.651 0.485 0.556 0.333 CB 0.800 10 residues pruned to eliminate duplicates Z: 8 6.835 1.587 0.850 0.558 0.714 0.286 CB 1.165 8 residues pruned to eliminate duplicates Z: 11 7.758 1.576 0.437 0.615 0.900 0.700 CB 1.080 9 residues pruned to eliminate duplicates Z: 7 10.124 1.731 0.643 0.847 1.000 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 11 8.875 1.616 0.650 0.672 0.800 0.600 CB 1.122 11 residues pruned to eliminate duplicates Z: 10 13.533 1.606 0.685 0.906 1.000 0.889 CB 1.186 13 residues pruned to eliminate duplicates Z: 7 9.834 1.717 0.756 0.880 1.000 0.833 CB 0.965 7 residues pruned to eliminate duplicates Z: 24 14.983 1.814 0.627 0.573 0.826 0.609 CB 1.194 24 residues pruned to eliminate duplicates Z: 20 8.921 1.808 0.273 0.540 0.895 0.579 CB 0.956 20 residues pruned to eliminate duplicates Z: 25 8.178 1.700 0.487 0.448 0.792 0.458 CB 0.880 25 residues pruned to eliminate duplicates Z: 33 19.711 1.811 0.481 0.710 0.875 0.625 CB 1.227 33 residues pruned to eliminate duplicates Z: 22 22.951 1.871 0.729 0.834 0.905 0.762 CB 1.282 22 residues pruned to eliminate duplicates Z: 13 14.696 1.893 0.547 0.825 0.917 0.917 CB 1.192 13 residues pruned to eliminate duplicates Z: 26 14.857 1.762 0.585 0.491 0.880 0.640 CB 1.221 26 residues pruned to eliminate duplicates Z: 14 16.318 1.936 0.578 0.843 0.923 0.846 CB 1.195 14 residues pruned to eliminate duplicates Z: 15 21.046 1.953 0.708 0.767 1.000 0.714 CB 1.331 15 residues pruned to eliminate duplicates Z: 33 24.189 1.849 0.552 0.689 0.938 0.750 CB 1.337 33 residues pruned to eliminate duplicates Z: 31 23.643 1.860 0.526 0.762 0.967 0.767 CB 1.247 31 residues pruned to eliminate duplicates Z: 21 24.892 1.919 0.876 0.845 0.900 0.800 CB 1.278 21 residues pruned to eliminate duplicates Z: 19 16.362 1.772 0.988 0.767 0.722 0.611 CB 1.196 19 residues pruned to eliminate duplicates Z: 14 20.888 1.955 0.741 0.779 0.923 0.615 CB 1.442 14 residues pruned to eliminate duplicates Z: 32 18.733 1.809 0.623 0.619 0.806 0.516 CB 1.270 24 residues pruned to eliminate duplicates Z: 20 24.527 1.890 0.875 0.929 1.000 0.947 CB 1.112 22 residues pruned to eliminate duplicates Z: 23 25.134 1.834 0.743 0.857 0.955 0.773 CB 1.295 22 residues pruned to eliminate duplicates Z: 19 25.940 1.919 0.884 0.912 0.944 0.889 CB 1.267 19 residues pruned to eliminate duplicates Z: 31 24.904 1.872 0.575 0.706 0.933 0.633 CB 1.370 19 residues pruned to eliminate duplicates Z: 21 26.024 1.850 0.827 0.932 0.950 0.900 CB 1.266 21 residues pruned to eliminate duplicates Z: 24 24.103 1.840 0.814 0.798 0.913 0.739 CB 1.270 24 residues pruned to eliminate duplicates Z: 19 30.887 1.900 0.937 0.825 1.000 0.667 CB 1.494 19 residues pruned to eliminate duplicates Z: 11 5.563 1.697 0.268 0.690 0.900 0.800 CB 0.763 10 residues pruned to eliminate duplicates Z: 9 8.272 1.709 0.317 0.899 1.000 0.875 CB 0.929 8 residues pruned to eliminate duplicates Z: 8 7.758 1.756 0.208 0.888 1.000 0.857 CB 0.996 8 residues pruned to eliminate duplicates Z: 7 6.626 1.678 0.537 0.813 0.833 0.667 CB 0.959 7 residues pruned to eliminate duplicates Z: 11 7.152 1.662 0.451 0.652 0.800 0.500 CB 1.017 10 residues pruned to eliminate duplicates Z: 8 9.207 1.781 0.294 0.863 1.000 1.000 CB 1.107 8 residues pruned to eliminate duplicates Z: 8 8.322 1.760 0.554 0.796 0.857 0.714 CB 1.036 9 residues pruned to eliminate duplicates Z: 10 10.461 1.687 0.297 0.802 1.000 0.889 CB 1.225 9 residues pruned to eliminate duplicates Z: 10 9.541 1.700 0.307 0.783 0.889 0.667 CB 1.255 10 residues pruned to eliminate duplicates Z: 7 5.197 1.495 0.586 0.342 0.833 0.500 CB 1.276 Z: 6 4.629 1.490 0.734 0.359 1.000 0.200 CB 0.933 5 residues pruned to eliminate duplicates Z: 6 3.369 1.441 0.259 0.444 0.800 0.600 CB 1.100 Z: 11 15.320 1.755 0.514 0.841 1.000 0.800 CB 1.360 Z: 13 16.510 1.791 0.545 0.856 1.000 0.833 CB 1.270 11 residues pruned to eliminate duplicates Z: 12 15.127 1.853 0.636 0.869 1.000 0.727 CB 1.099 12 residues pruned to eliminate duplicates Z: 12 18.145 1.849 0.646 0.893 1.000 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 14 20.920 1.769 0.744 0.885 1.000 0.538 CB 1.358 12 residues pruned to eliminate duplicates Z: 13 12.406 1.818 0.642 0.853 0.917 0.667 CB 0.968 13 residues pruned to eliminate duplicates Z: 12 15.436 1.826 0.894 0.752 0.818 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 14.722 1.861 0.567 0.823 0.917 0.750 CB 1.202 13 residues pruned to eliminate duplicates Z: 19 13.710 1.808 0.482 0.665 0.889 0.722 CB 1.164 19 residues pruned to eliminate duplicates Z: 19 13.529 1.792 0.445 0.679 0.889 0.611 CB 1.175 15 residues pruned to eliminate duplicates Z: 13 18.980 1.888 0.591 0.848 1.000 0.750 CB 1.353 13 residues pruned to eliminate duplicates Z: 12 21.294 1.929 0.732 0.900 1.000 0.909 CB 1.373 13 residues pruned to eliminate duplicates Z: 14 19.340 1.791 0.680 0.889 1.000 0.923 CB 1.284 14 residues pruned to eliminate duplicates Z: 10 8.810 1.767 0.292 0.733 1.000 0.889 CB 1.044 10 residues pruned to eliminate duplicates Z: 11 11.028 1.814 0.269 0.853 1.000 0.900 CB 1.120 11 residues pruned to eliminate duplicates Z: 10 11.173 1.801 0.687 0.894 1.000 0.889 CB 0.879 10 residues pruned to eliminate duplicates Z: 11 11.182 1.847 0.432 0.703 0.900 0.700 CB 1.235 9 residues pruned to eliminate duplicates Z: 11 12.833 1.746 0.417 0.904 1.000 1.000 CB 1.169 11 residues pruned to eliminate duplicates Z: 13 11.102 1.770 0.481 0.622 0.917 0.750 CB 1.189 12 residues pruned to eliminate duplicates Z: 10 9.845 1.817 0.174 0.859 1.000 0.778 CB 1.132 10 residues pruned to eliminate duplicates Z: 14 11.594 1.799 0.314 0.690 1.000 0.769 CB 1.144 14 residues pruned to eliminate duplicates Z: 12 11.123 1.752 0.406 0.814 0.909 0.818 CB 1.140 12 residues pruned to eliminate duplicates Z: 14 13.782 1.703 0.677 0.790 0.923 0.846 CB 1.125 13 residues pruned to eliminate duplicates Z: 13 15.195 1.823 0.409 0.914 1.000 0.917 CB 1.207 15 residues pruned to eliminate duplicates Z: 6 2.299 1.571 0.803 0.769 0.600 0.600 CB 0.477 Z: 7 2.375 1.587 0.244 0.309 0.500 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 16 7.423 1.807 0.182 0.340 0.800 0.600 CB 1.335 64 residues pruned to eliminate duplicates Z: 6 4.750 1.559 0.396 0.397 1.000 0.600 O 1.088 6 residues pruned to eliminate duplicates Z: 12 5.136 1.847 0.155 0.318 0.727 0.364 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 8.726 1.845 0.204 0.415 0.917 0.333 CB 1.352 13 residues pruned to eliminate duplicates Z: 10 3.775 1.826 0.287 0.078 0.667 0.222 CB 1.390 10 residues pruned to eliminate duplicates Z: 15 6.312 1.783 0.244 0.295 0.857 0.857 CB 1.116 15 residues pruned to eliminate duplicates Z: 24 7.259 1.751 0.119 0.371 0.826 0.478 CB 1.074 24 residues pruned to eliminate duplicates Z: 29 9.011 1.718 0.214 0.307 0.821 0.429 CB 1.232 29 residues pruned to eliminate duplicates Z: 32 8.073 1.717 0.240 0.381 0.710 0.387 CB 1.089 34 residues pruned to eliminate duplicates Z: 7 6.643 1.735 0.243 0.794 1.000 0.833 CB 0.972 7 residues pruned to eliminate duplicates Z: 18 6.889 1.847 0.195 0.464 0.647 0.294 CB 1.213 18 residues pruned to eliminate duplicates Z: 29 10.052 1.731 0.165 0.427 0.893 0.500 CB 1.139 35 residues pruned to eliminate duplicates Z: 9 6.047 1.715 0.808 0.839 0.750 0.375 CB 0.687 9 residues pruned to eliminate duplicates Z: 18 9.179 1.816 0.333 0.362 0.882 0.412 CB 1.210 18 residues pruned to eliminate duplicates Z: 21 7.621 1.757 0.300 0.377 0.900 0.300 CB 0.945 21 residues pruned to eliminate duplicates Z: 14 4.218 1.675 0.193 0.454 0.692 0.077 CB 0.887 14 residues pruned to eliminate duplicates Z: 18 7.447 1.664 0.199 0.577 0.882 0.412 CB 0.953 16 residues pruned to eliminate duplicates Z: 6 2.988 1.292 0.686 0.444 1.000 0.800 CB 0.650 6 residues pruned to eliminate duplicates Z: 26 11.686 1.760 0.559 0.433 0.840 0.440 CB 1.087 27 residues pruned to eliminate duplicates Z: 12 7.524 1.661 0.421 0.720 0.818 0.455 CB 0.963 Z: 10 6.257 1.639 0.236 0.716 0.889 0.667 CB 0.953 10 residues pruned to eliminate duplicates Z: 18 8.366 1.623 0.379 0.469 0.765 0.471 CB 1.224 37 residues pruned to eliminate duplicates Z: 9 5.585 1.572 0.178 0.803 0.875 0.875 O 0.935 9 residues pruned to eliminate duplicates Z: 16 8.420 1.643 0.322 0.630 0.800 0.533 CB 1.107 18 residues pruned to eliminate duplicates Z: 13 6.989 1.566 0.556 0.617 0.833 0.583 CB 0.889 10 residues pruned to eliminate duplicates Z: 9 10.187 1.549 0.833 0.791 0.875 0.500 O 1.123 11 residues pruned to eliminate duplicates Z: 15 11.367 1.534 0.545 0.849 0.929 0.714 CB 1.023 13 residues pruned to eliminate duplicates Z: 11 7.110 1.536 0.404 0.789 0.800 0.200 CB 1.012 11 residues pruned to eliminate duplicates Z: 8 8.590 1.457 0.810 0.742 1.000 0.714 CB 0.991 8 residues pruned to eliminate duplicates Z: 9 3.661 1.367 0.468 0.364 0.750 0.250 CB 0.995 9 residues pruned to eliminate duplicates Z: 6 2.409 1.373 0.349 0.284 0.800 0.600 CB 0.927 6 residues pruned to eliminate duplicates Z: 10 8.441 1.463 0.491 0.869 0.889 0.778 O 1.059 Z: 7 4.351 1.527 0.325 0.774 0.667 0.167 CB 1.033 7 residues pruned to eliminate duplicates Z: 7 4.872 1.605 0.356 0.507 0.667 0.333 CB 1.361 7 residues pruned to eliminate duplicates Z: 8 6.661 1.567 0.297 0.589 0.857 0.571 N 1.327 8 residues pruned to eliminate duplicates Z: 10 7.526 1.625 0.379 0.733 0.778 0.778 CB 1.167 10 residues pruned to eliminate duplicates Z: 9 10.313 1.604 0.616 0.857 0.875 0.875 O 1.184 10 residues pruned to eliminate duplicates Z: 10 10.934 1.523 0.857 0.739 0.889 0.556 O 1.170 8 residues pruned to eliminate duplicates Z: 12 10.762 1.540 0.534 0.837 0.909 0.636 O 1.130 11 residues pruned to eliminate duplicates Z: 11 9.642 1.406 0.656 0.841 1.000 0.700 O 0.976 10 residues pruned to eliminate duplicates Z: 12 13.461 1.458 0.805 0.885 0.909 0.818 O 1.225 12 residues pruned to eliminate duplicates Z: 12 3.519 1.290 0.706 0.368 0.727 0.545 N 0.764 12 residues pruned to eliminate duplicates Z: 6 4.083 1.413 0.393 0.805 0.800 0.600 N 0.889 6 residues pruned to eliminate duplicates Z: 10 5.048 1.625 0.546 0.188 0.778 0.444 O 1.252 8 residues pruned to eliminate duplicates Z: 6 2.380 1.512 0.286 0.214 0.800 0.600 CB 0.958 8 residues pruned to eliminate duplicates Z: 11 5.000 1.458 0.488 0.252 0.800 0.400 CB 1.210 10 residues pruned to eliminate duplicates Z: 11 9.357 1.753 0.506 0.662 0.900 0.600 CB 1.072 11 residues pruned to eliminate duplicates Z: 15 7.914 1.725 0.492 0.348 0.786 0.571 CB 1.234 15 residues pruned to eliminate duplicates Z: 16 11.522 1.745 0.634 0.440 0.867 0.600 CB 1.281 10 residues pruned to eliminate duplicates Z: 8 6.223 1.704 0.486 0.671 0.714 0.286 O 1.111 8 residues pruned to eliminate duplicates Z: 17 10.055 1.659 0.509 0.399 0.875 0.500 CB 1.276 17 residues pruned to eliminate duplicates Z: 17 13.232 1.737 0.780 0.423 0.875 0.375 CB 1.325 17 residues pruned to eliminate duplicates Z: 17 13.823 1.729 0.616 0.481 0.938 0.500 CB 1.345 15 residues pruned to eliminate duplicates Z: 9 6.573 1.592 0.281 0.643 0.875 0.625 O 1.140 9 residues pruned to eliminate duplicates Z: 16 10.790 1.753 0.632 0.424 0.800 0.533 CB 1.318 16 residues pruned to eliminate duplicates Z: 9 5.425 1.700 0.164 0.555 0.750 0.500 CB 1.225 10 residues pruned to eliminate duplicates Z: 6 4.926 1.597 0.544 0.450 1.000 0.400 CB 0.940 6 residues pruned to eliminate duplicates Z: 23 7.540 1.660 0.348 0.456 0.773 0.591 CB 0.972 17 residues pruned to eliminate duplicates Z: 6 2.749 1.360 0.597 0.523 0.600 0.400 CB 0.922 7 residues pruned to eliminate duplicates Z: 15 8.275 1.498 0.566 0.748 0.786 0.500 CB 0.962 11 residues pruned to eliminate duplicates Z: 18 11.146 1.498 0.568 0.692 0.882 0.765 CB 1.094 13 residues pruned to eliminate duplicates Z: 7 5.957 1.326 0.692 0.621 1.000 0.667 CB 0.967 7 residues pruned to eliminate duplicates Z: 8 5.303 1.320 0.671 0.712 0.857 0.571 CB 0.874 Z: 8 5.677 1.325 0.719 0.725 0.857 0.286 CB 0.897 8 residues pruned to eliminate duplicates Z: 8 5.594 1.424 0.660 0.818 0.714 0.714 CB 0.950 8 residues pruned to eliminate duplicates Z: 8 5.497 1.418 0.593 0.835 0.714 0.429 CB 0.965 8 residues pruned to eliminate duplicates Z: 11 8.358 1.370 0.515 0.834 1.000 0.700 CB 0.955 8 residues pruned to eliminate duplicates Z: 6 3.045 1.341 0.662 0.495 1.000 0.000 CB 0.613 6 residues pruned to eliminate duplicates Z: 8 3.895 1.629 0.378 0.427 0.571 0.429 CB 1.239 Z: 9 5.451 1.368 0.785 0.541 0.750 0.500 CB 1.011 5 residues pruned to eliminate duplicates Z: 6 2.492 1.216 0.446 0.490 1.000 0.600 CB 0.640 6 residues pruned to eliminate duplicates Z: 8 3.996 1.579 0.704 0.293 0.714 0.429 CB 0.991 9 residues pruned to eliminate duplicates Z: 6 3.596 1.666 0.314 0.313 0.800 0.800 N 1.129 6 residues pruned to eliminate duplicates Z: 14 8.113 1.674 0.379 0.490 0.846 0.692 CB 1.163 8 residues pruned to eliminate duplicates Z: 6 2.610 1.646 0.539 0.207 0.600 0.400 CB 1.086 6 1.584 1.523 0.621 0.100 0.400 0.400 CB 1.196 ? Z: 6 5.437 1.872 0.284 0.301 1.000 0.400 O 1.263 Z: 8 4.614 1.504 0.327 0.398 0.857 0.429 CB 1.135 8 residues pruned to eliminate duplicates Z: 19 13.928 2.004 0.514 0.494 0.889 0.667 CB 1.225 27 residues pruned to eliminate duplicates Z: 10 8.150 1.822 0.443 0.691 1.000 0.667 CB 0.868 9 residues pruned to eliminate duplicates Z: 9 14.454 1.733 0.599 0.834 1.000 0.625 O 1.383 9 residues pruned to eliminate duplicates Z: 9 11.552 1.734 0.747 0.797 0.875 0.375 CB 1.188 9 residues pruned to eliminate duplicates Z: 10 6.655 1.769 0.692 0.582 0.667 0.556 CB 1.028 10 residues pruned to eliminate duplicates Z: 19 10.827 1.939 0.370 0.441 0.833 0.556 CB 1.225 19 residues pruned to eliminate duplicates Z: 19 11.970 1.880 0.691 0.489 0.722 0.444 CB 1.242 19 residues pruned to eliminate duplicates Z: 9 13.812 1.847 0.657 0.848 1.000 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 8 8.051 1.793 0.597 0.840 0.857 0.714 CB 0.926 8 residues pruned to eliminate duplicates Z: 14 24.765 1.929 0.687 0.854 1.000 0.846 CB 1.559 15 residues pruned to eliminate duplicates Z: 14 18.057 1.946 0.458 0.783 0.923 0.538 CB 1.490 13 residues pruned to eliminate duplicates Z: 14 22.653 1.998 0.641 0.803 0.923 0.769 CB 1.593 14 residues pruned to eliminate duplicates Z: 13 22.505 1.990 0.637 0.852 1.000 0.833 CB 1.475 14 residues pruned to eliminate duplicates Z: 13 24.801 1.968 0.768 0.863 1.000 0.667 CB 1.510 13 residues pruned to eliminate duplicates Z: 14 20.944 1.985 0.552 0.861 0.923 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 15 17.297 1.926 0.518 0.729 0.929 0.714 CB 1.386 15 residues pruned to eliminate duplicates Z: 16 18.663 1.917 0.583 0.738 0.867 0.467 CB 1.480 16 residues pruned to eliminate duplicates Z: 17 17.777 1.918 0.575 0.712 0.875 0.688 CB 1.387 17 residues pruned to eliminate duplicates Z: 27 15.980 1.856 0.605 0.575 0.923 0.731 CB 1.060 27 residues pruned to eliminate duplicates Z: 20 14.512 1.840 0.462 0.647 0.895 0.684 CB 1.206 20 residues pruned to eliminate duplicates Z: 23 18.764 1.871 0.514 0.566 0.864 0.727 CB 1.533 23 residues pruned to eliminate duplicates Z: 28 14.948 1.831 0.542 0.459 0.815 0.630 CB 1.304 28 residues pruned to eliminate duplicates Z: 17 17.894 1.863 0.581 0.728 0.875 0.688 CB 1.413 17 residues pruned to eliminate duplicates Z: 8 8.150 1.796 0.836 0.426 0.857 0.714 CB 1.177 8 residues pruned to eliminate duplicates Z: 15 6.906 1.585 0.856 0.274 0.643 0.357 CB 1.261 15 residues pruned to eliminate duplicates Z: 11 12.077 1.861 0.487 0.508 0.900 0.800 N 1.522 11 residues pruned to eliminate duplicates Z: 20 8.681 1.716 0.873 0.508 0.737 0.474 CB 0.834 20 residues pruned to eliminate duplicates Z: 24 25.021 1.919 0.686 0.664 0.957 0.783 CB 1.448 24 residues pruned to eliminate duplicates Z: 26 23.608 1.815 0.860 0.653 0.840 0.480 CB 1.445 26 residues pruned to eliminate duplicates Z: 25 14.537 1.851 0.824 0.580 0.625 0.208 CB 1.303 25 residues pruned to eliminate duplicates Z: 30 14.582 1.745 0.736 0.500 0.724 0.448 CB 1.234 30 residues pruned to eliminate duplicates Z: 19 12.048 1.768 0.713 0.482 0.833 0.556 CB 1.146 19 residues pruned to eliminate duplicates Z: 16 15.349 2.014 0.364 0.737 0.933 0.600 CB 1.250 16 residues pruned to eliminate duplicates Z: 29 11.402 1.693 0.508 0.393 0.750 0.464 CB 1.261 29 residues pruned to eliminate duplicates Z: 49 23.729 1.827 0.641 0.571 0.833 0.500 CB 1.280 49 residues pruned to eliminate duplicates Z: 14 28.276 1.897 1.157 0.878 0.923 0.692 N 1.506 14 residues pruned to eliminate duplicates Z: 40 29.686 1.903 0.807 0.673 0.923 0.590 CB 1.277 38 residues pruned to eliminate duplicates Z: 23 25.443 1.915 0.797 0.811 0.864 0.500 CB 1.392 23 residues pruned to eliminate duplicates Z: 20 11.927 1.827 1.126 0.428 0.632 0.421 CB 1.203 20 residues pruned to eliminate duplicates Z: 21 18.780 1.875 0.861 0.597 0.800 0.300 CB 1.371 21 residues pruned to eliminate duplicates Z: 16 15.232 1.887 0.861 0.646 0.800 0.333 N 1.222 16 residues pruned to eliminate duplicates Z: 20 18.391 1.865 0.839 0.682 0.789 0.316 CB 1.318 20 residues pruned to eliminate duplicates Z: 37 26.534 1.890 0.875 0.613 0.889 0.333 CB 1.262 37 residues pruned to eliminate duplicates Z: 23 25.410 1.926 1.045 0.640 0.955 0.591 CB 1.264 23 residues pruned to eliminate duplicates Z: 19 27.131 1.964 0.909 0.813 0.944 0.333 CB 1.376 19 residues pruned to eliminate duplicates Z: 18 31.694 2.016 1.157 0.854 0.882 0.235 CB 1.479 18 residues pruned to eliminate duplicates Z: 40 22.770 1.844 0.935 0.507 0.769 0.359 CB 1.319 40 residues pruned to eliminate duplicates Z: 19 23.842 1.982 0.916 0.838 0.778 0.111 N 1.421 19 residues pruned to eliminate duplicates Z: 39 15.753 1.798 0.792 0.421 0.737 0.263 CB 1.168 39 residues pruned to eliminate duplicates Z: 36 26.111 1.946 0.842 0.661 0.800 0.314 CB 1.326 36 residues pruned to eliminate duplicates Z: 28 25.618 1.893 0.822 0.704 0.889 0.333 CB 1.335 28 residues pruned to eliminate duplicates Z: 15 12.269 1.923 0.795 0.457 0.714 0.500 CB 1.389 15 residues pruned to eliminate duplicates Z: 32 17.639 1.890 0.705 0.576 0.710 0.387 CB 1.287 32 residues pruned to eliminate duplicates Z: 30 19.598 1.892 0.706 0.590 0.724 0.414 N 1.429 30 residues pruned to eliminate duplicates Z: 52 26.112 1.887 0.630 0.597 0.804 0.549 CB 1.348 52 residues pruned to eliminate duplicates Z: 15 8.391 1.891 0.433 0.363 0.714 0.286 CB 1.344 15 residues pruned to eliminate duplicates Z: 10 9.509 1.890 0.664 0.392 0.778 0.444 CB 1.452 10 residues pruned to eliminate duplicates Z: 9 11.122 1.835 0.692 0.527 0.875 0.625 CB 1.410 9 residues pruned to eliminate duplicates Z: 34 25.884 1.916 0.937 0.665 0.879 0.606 CB 1.186 34 residues pruned to eliminate duplicates Z: 15 11.631 1.861 0.888 0.473 0.714 0.500 CB 1.272 15 residues pruned to eliminate duplicates Z: 24 17.822 1.921 0.619 0.702 0.870 0.696 CB 1.143 24 residues pruned to eliminate duplicates Z: 16 12.077 1.944 0.766 0.433 0.733 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 21 15.739 1.959 0.664 0.552 0.800 0.500 CB 1.283 21 residues pruned to eliminate duplicates Z: 12 9.241 1.890 0.348 0.667 0.818 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 20 13.885 1.994 0.511 0.661 0.842 0.789 CB 1.081 29 residues pruned to eliminate duplicates Z: 17 13.834 1.835 0.524 0.711 0.938 0.625 CB 1.090 17 residues pruned to eliminate duplicates Z: 32 20.725 1.893 0.597 0.562 0.839 0.581 CB 1.383 22 residues pruned to eliminate duplicates Z: 13 15.819 1.926 0.596 0.817 0.917 0.750 CB 1.230 13 residues pruned to eliminate duplicates Z: 32 17.787 1.942 0.623 0.565 0.774 0.581 CB 1.229 32 residues pruned to eliminate duplicates Z: 22 10.699 1.842 0.407 0.520 0.762 0.476 CB 1.159 22 residues pruned to eliminate duplicates Z: 27 17.592 1.852 0.507 0.613 0.885 0.654 CB 1.256 27 residues pruned to eliminate duplicates Z: 21 12.375 1.838 0.487 0.506 0.850 0.450 CB 1.184 21 residues pruned to eliminate duplicates Z: 22 20.832 1.970 0.912 0.630 0.810 0.571 CB 1.319 22 residues pruned to eliminate duplicates Z: 26 18.309 1.905 0.761 0.649 0.800 0.640 CB 1.188 26 residues pruned to eliminate duplicates Z: 36 23.774 1.910 0.757 0.546 0.857 0.543 CB 1.336 36 residues pruned to eliminate duplicates Z: 22 22.737 1.966 0.922 0.646 0.905 0.619 CB 1.267 25 residues pruned to eliminate duplicates Z: 6 3.849 1.697 0.779 0.213 0.600 0.200 O 1.332 6 residues pruned to eliminate duplicates Z: 24 19.150 1.904 0.895 0.640 0.783 0.348 CB 1.241 24 residues pruned to eliminate duplicates Z: 10 13.124 1.926 0.836 0.446 0.889 0.444 N 1.471 10 residues pruned to eliminate duplicates Z: 11 7.595 1.844 0.633 0.451 0.600 0.300 N 1.398 11 residues pruned to eliminate duplicates Z: 21 14.880 1.931 0.350 0.601 0.900 0.550 CB 1.288 21 residues pruned to eliminate duplicates Z: 33 11.254 1.843 0.453 0.407 0.688 0.469 CB 1.192 33 residues pruned to eliminate duplicates Z: 9 10.730 1.956 0.579 0.503 0.875 0.500 CB 1.400 9 residues pruned to eliminate duplicates Z: 10 9.915 1.885 0.544 0.411 0.889 0.444 CB 1.402 10 residues pruned to eliminate duplicates Z: 13 5.139 1.548 0.238 0.593 0.833 0.417 CB 0.850 13 residues pruned to eliminate duplicates Z: 11 4.391 1.532 0.320 0.482 0.600 0.400 O 1.165 11 residues pruned to eliminate duplicates Z: 11 7.593 1.551 0.265 0.680 0.900 0.700 CB 1.152 11 residues pruned to eliminate duplicates Z: 8 8.759 1.562 0.444 0.718 1.000 0.857 O 1.205 8 residues pruned to eliminate duplicates Z: 10 10.621 1.611 0.610 0.676 1.000 0.556 N 1.161 13 residues pruned to eliminate duplicates Z: 10 11.250 1.621 0.435 0.874 1.000 1.000 CB 1.173 10 residues pruned to eliminate duplicates Z: 12 11.686 1.630 0.636 0.797 1.000 0.818 CB 1.018 12 residues pruned to eliminate duplicates Z: 10 12.534 1.617 0.812 0.845 1.000 0.667 CB 1.060 10 residues pruned to eliminate duplicates Z: 17 12.736 1.508 0.575 0.822 0.938 0.750 CB 1.082 14 residues pruned to eliminate duplicates Z: 11 10.894 1.555 0.768 0.855 0.900 0.900 N 1.028 12 residues pruned to eliminate duplicates Z: 13 9.055 1.421 0.638 0.784 0.917 0.583 O 0.954 13 residues pruned to eliminate duplicates Z: 6 2.904 1.450 0.244 0.285 0.800 0.400 CB 1.147 Z: 10 7.158 1.466 0.582 0.742 0.889 0.778 CB 0.932 Z: 6 2.976 1.458 0.741 0.577 0.600 0.400 CB 0.812 6 residues pruned to eliminate duplicates Z: 14 2.748 1.397 0.356 0.270 0.615 0.385 CB 0.850 14 residues pruned to eliminate duplicates Z: 9 6.988 1.623 0.764 0.659 0.750 0.625 CB 0.993 25 residues pruned to eliminate duplicates Z: 8 7.020 1.522 0.473 0.750 1.000 0.286 CB 0.946 8 residues pruned to eliminate duplicates Z: 19 7.629 1.619 0.277 0.473 0.833 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 13 5.891 1.534 0.405 0.754 0.833 0.583 CB 0.755 13 residues pruned to eliminate duplicates Z: 8 5.783 1.621 0.137 0.812 0.857 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 14 6.167 1.569 0.505 0.412 0.769 0.308 CB 1.033 14 residues pruned to eliminate duplicates Z: 10 5.465 1.564 0.482 0.511 0.889 0.444 CB 0.875 10 residues pruned to eliminate duplicates Z: 25 6.347 1.533 0.192 0.359 0.792 0.292 CB 1.043 20 residues pruned to eliminate duplicates Z: 9 6.320 1.339 0.663 0.631 0.875 0.750 N 1.014 9 residues pruned to eliminate duplicates Z: 16 8.009 1.664 0.377 0.511 0.800 0.333 CB 1.116 16 residues pruned to eliminate duplicates Z: 9 5.241 1.702 0.501 0.465 0.625 0.250 N 1.202 9 residues pruned to eliminate duplicates Z: 24 5.303 1.663 0.197 0.224 0.696 0.261 CB 1.103 33 residues pruned to eliminate duplicates Z: 6 3.084 1.467 0.598 0.499 0.600 0.400 CB 0.981 6 residues pruned to eliminate duplicates Z: 23 7.493 1.654 0.240 0.348 0.818 0.364 CB 1.122 23 residues pruned to eliminate duplicates Z: 8 6.620 1.712 0.074 0.428 1.000 0.429 CA 1.467 8 residues pruned to eliminate duplicates 962 residues left after pruning, divided into chains as follows: A: 6 B: 13 C: 8 D: 6 E: 6 F: 8 G: 7 H: 18 I: 14 J: 133 K: 11 L: 6 M: 16 N: 9 O: 24 P: 9 Q: 32 R: 8 S: 28 T: 22 U: 17 V: 17 W: 14 X: 12 Y: 14 Z: 82 Z: 42 Z: 12 Z: 10 Z: 8 Z: 10 Z: 19 Z: 34 Z: 10 Z: 11 Z: 15 Z: 20 Z: 13 Z: 11 Z: 6 Z: 18 Z: 11 Z: 7 Z: 78 Z: 16 Z: 52 Z: 19 CC for partial structure against native data = 36.22 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.545, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.631, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.742, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.760, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.774, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.781, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.786, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.787, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.788, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.787, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3748 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 982 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 7.143 1.656 0.360 0.553 0.889 0.667 CB 1.129 B: 9 5.311 1.597 0.955 0.461 0.500 0.250 CB 1.252 C: 12 7.749 1.911 0.581 0.356 0.727 0.455 CB 1.243 D: 8 7.393 1.860 0.500 0.623 0.714 0.571 O 1.248 8 residues pruned to eliminate duplicates E: 13 6.698 1.944 0.378 0.335 0.833 0.417 CB 1.037 F: 18 37.994 2.068 1.013 0.930 1.000 0.882 CB 1.548 G: 24 22.356 1.813 0.714 0.815 0.913 0.739 CB 1.250 15 residues pruned to eliminate duplicates H: 14 24.913 1.901 0.926 0.901 1.000 0.692 CB 1.346 I: 22 27.380 1.961 0.659 0.893 1.000 0.857 CB 1.318 22 residues pruned to eliminate duplicates J: 8 10.753 1.843 0.398 0.892 1.000 1.000 CB 1.133 K: 25 28.118 1.923 0.873 0.822 0.958 0.750 CB 1.257 25 residues pruned to eliminate duplicates L: 17 3.907 1.864 0.010 0.266 0.625 0.438 CB 1.083 M: 8 9.114 1.853 0.753 0.471 0.857 0.571 CB 1.275 N: 25 11.324 1.944 0.358 0.345 0.750 0.583 CB 1.381 28 residues pruned to eliminate duplicates O: 9 13.032 1.889 0.417 0.854 1.000 1.000 CB 1.271 P: 13 6.303 1.801 0.297 0.450 0.833 0.417 CB 0.984 Q: 18 21.940 1.920 0.582 0.875 0.941 0.706 CB 1.354 18 residues pruned to eliminate duplicates R: 8 12.561 1.833 0.633 0.843 1.000 0.857 CB 1.181 11 residues pruned to eliminate duplicates S: 11 3.867 1.674 0.479 0.149 0.800 0.300 CB 0.951 10 residues pruned to eliminate duplicates T: 22 29.268 1.969 0.794 0.902 1.000 0.857 CB 1.290 22 residues pruned to eliminate duplicates U: 9 10.421 1.900 0.828 0.542 0.750 0.625 CB 1.357 10 residues pruned to eliminate duplicates V: 12 3.630 1.610 0.229 0.344 0.636 0.364 CB 1.031 W: 15 22.195 1.945 1.043 0.865 0.929 0.714 CB 1.178 X: 20 24.299 1.813 0.713 0.838 1.000 0.789 CB 1.342 Y: 29 26.558 1.850 0.773 0.827 0.964 0.750 CB 1.196 29 residues pruned to eliminate duplicates Z: 8 5.595 1.776 0.502 0.765 1.000 0.714 CB 0.626 Z: 16 26.587 1.977 0.838 0.874 0.933 0.733 CB 1.473 15 residues pruned to eliminate duplicates Z: 20 17.238 2.001 0.536 0.554 0.895 0.684 CB 1.365 7 residues pruned to eliminate duplicates Z: 9 2.778 1.680 0.144 0.278 0.625 0.375 CB 1.051 Z: 20 32.271 2.045 0.786 0.919 1.000 1.000 CB 1.428 20 residues pruned to eliminate duplicates Z: 8 2.970 1.756 0.230 0.252 0.714 0.571 CB 0.968 Z: 9 11.881 1.715 0.701 0.865 1.000 0.750 CB 1.055 Z: 12 11.776 1.865 0.854 0.542 0.727 0.636 CB 1.355 Z: 14 18.444 1.930 0.304 0.901 1.000 0.923 O 1.451 Z: 21 25.195 1.830 0.687 0.901 1.000 0.900 CB 1.302 20 residues pruned to eliminate duplicates Z: 13 15.342 1.785 0.535 0.738 0.917 0.667 CB 1.424 Z: 6 3.178 1.645 0.399 0.276 0.800 0.400 CB 0.996 6 residues pruned to eliminate duplicates Z: 10 7.330 1.858 0.237 0.588 0.889 0.556 CB 1.099 Z: 11 6.705 1.738 0.534 0.483 1.000 0.700 CB 0.809 Z: 16 16.684 1.840 0.903 0.785 0.867 0.533 CB 1.104 13 residues pruned to eliminate duplicates Z: 22 19.217 1.873 0.547 0.593 0.857 0.524 CB 1.546 23 residues pruned to eliminate duplicates Z: 11 8.657 1.720 0.386 0.728 0.700 0.500 CB 1.336 Z: 12 9.225 1.916 0.326 0.499 0.818 0.818 CB 1.340 Z: 14 16.700 1.653 0.739 0.875 1.000 0.538 CB 1.172 Z: 7 3.241 1.334 0.507 0.503 0.667 0.333 N 0.985 Z: 15 13.148 1.850 0.809 0.780 0.857 0.357 CB 0.957 Z: 10 5.171 1.811 0.310 0.336 0.778 0.444 CB 1.117 Z: 8 11.604 1.829 0.846 0.854 1.000 0.429 CB 0.959 Z: 17 13.716 1.814 0.567 0.838 0.875 0.812 CB 1.030 Z: 18 19.261 1.871 0.784 0.841 0.824 0.765 CB 1.267 18 residues pruned to eliminate duplicates Z: 14 21.677 1.912 0.730 0.826 0.923 0.692 CB 1.485 14 residues pruned to eliminate duplicates Z: 15 14.520 1.753 0.638 0.753 0.929 0.571 CB 1.162 15 residues pruned to eliminate duplicates Z: 11 12.882 1.977 0.164 0.910 1.000 0.900 CB 1.255 Z: 16 20.713 1.851 0.743 0.906 1.000 1.000 O 1.179 16 residues pruned to eliminate duplicates Z: 14 10.820 1.561 0.588 0.847 0.923 0.538 CB 0.974 Z: 12 9.040 1.635 0.482 0.801 0.909 0.818 CB 0.951 Z: 6 6.061 1.750 0.553 0.634 0.800 0.600 CB 1.100 Z: 9 6.088 1.621 0.724 0.692 0.750 0.250 CB 0.862 9 residues pruned to eliminate duplicates Z: 15 15.294 1.875 0.360 0.822 1.000 0.714 CB 1.213 15 residues pruned to eliminate duplicates Z: 16 24.636 1.935 0.759 0.889 0.933 0.733 O 1.441 14 residues pruned to eliminate duplicates Z: 23 22.983 1.776 0.658 0.843 1.000 0.727 CB 1.239 22 residues pruned to eliminate duplicates Z: 8 8.570 1.904 0.853 0.275 0.857 0.429 CB 1.383 8 residues pruned to eliminate duplicates Z: 10 7.021 1.772 0.445 0.382 0.889 0.556 CB 1.166 Z: 15 27.329 1.981 0.984 0.841 0.929 0.571 CB 1.492 17 residues pruned to eliminate duplicates Z: 7 8.836 1.979 0.331 0.794 1.000 0.833 CB 1.058 Z: 9 10.503 1.934 1.101 0.852 0.750 0.625 CB 0.901 9 residues pruned to eliminate duplicates 8 1.302 1.743 0.457 0.071 0.571 0.286 CB 0.593 ? Z: 6 3.269 1.691 0.341 0.370 0.600 0.600 CB 1.236 Z: 23 16.200 1.891 0.371 0.605 0.864 0.682 CB 1.397 23 residues pruned to eliminate duplicates Z: 17 21.133 1.840 0.772 0.805 0.875 0.312 CB 1.418 Z: 13 18.110 1.724 0.822 0.904 1.000 0.667 CB 1.186 14 residues pruned to eliminate duplicates Z: 21 20.668 1.828 0.632 0.832 0.900 0.700 CB 1.292 21 residues pruned to eliminate duplicates Z: 22 15.996 1.834 0.631 0.620 0.857 0.571 CB 1.216 22 residues pruned to eliminate duplicates Z: 24 14.353 1.903 0.551 0.579 0.783 0.522 CB 1.200 22 residues pruned to eliminate duplicates Z: 8 5.697 1.436 0.475 0.759 0.714 0.429 O 1.130 Z: 13 13.908 1.892 0.397 0.792 0.917 0.750 O 1.283 13 residues pruned to eliminate duplicates Z: 54 19.127 1.856 0.559 0.416 0.755 0.528 CB 1.313 81 residues pruned to eliminate duplicates Z: 16 28.313 1.955 0.889 0.912 0.933 0.667 CB 1.501 15 residues pruned to eliminate duplicates Z: 8 9.234 1.665 0.475 0.798 0.857 0.571 N 1.278 Z: 15 8.453 1.603 0.480 0.742 0.929 0.571 CB 0.825 Z: 9 12.665 1.797 0.583 0.772 0.875 0.875 CB 1.414 Z: 7 8.503 1.520 0.773 0.830 1.000 0.500 N 0.968 Z: 22 13.267 1.831 0.588 0.482 0.762 0.476 CB 1.331 18 residues pruned to eliminate duplicates Z: 20 20.540 1.996 0.595 0.565 0.895 0.737 CB 1.554 26 residues pruned to eliminate duplicates Z: 8 13.374 1.683 0.726 0.894 1.000 0.714 CB 1.249 Z: 7 9.371 1.704 0.441 0.857 1.000 0.500 CB 1.148 Z: 21 26.733 1.783 0.925 0.877 0.950 0.650 CB 1.332 21 residues pruned to eliminate duplicates Z: 9 4.219 1.672 0.396 0.267 0.625 0.375 CB 1.333 Z: 9 2.998 1.545 0.020 0.283 0.750 0.375 O 1.145 6 residues pruned to eliminate duplicates Z: 9 5.059 1.762 0.401 0.360 0.750 0.625 CB 1.123 Z: 15 13.241 1.645 0.771 0.769 0.929 0.643 CB 1.031 Z: 16 12.734 1.804 0.597 0.863 0.800 0.667 CB 1.047 16 residues pruned to eliminate duplicates Z: 14 5.507 1.701 0.312 0.365 0.615 0.308 N 1.285 Z: 14 20.563 1.906 0.524 0.821 1.000 0.692 CB 1.486 14 residues pruned to eliminate duplicates Z: 6 4.247 1.575 0.508 0.416 1.000 0.400 CB 0.873 Z: 16 23.701 1.878 0.828 0.847 0.933 0.600 CB 1.418 16 residues pruned to eliminate duplicates Z: 12 16.043 1.798 0.632 0.921 1.000 0.909 CB 1.160 12 residues pruned to eliminate duplicates Z: 8 6.008 2.021 0.231 0.221 0.857 0.571 CB 1.478 Z: 7 3.227 1.726 0.720 0.233 0.500 0.500 CB 1.211 Z: 16 12.536 1.898 0.367 0.588 1.000 0.867 CB 1.147 10 residues pruned to eliminate duplicates Z: 10 8.989 1.519 0.683 0.785 0.889 0.667 CB 1.026 8 residues pruned to eliminate duplicates Z: 7 2.736 1.513 0.244 0.209 0.667 0.000 CB 1.255 Z: 10 7.432 1.743 0.405 0.406 0.889 0.667 CB 1.256 Z: 21 22.852 1.847 0.647 0.887 1.000 0.900 CB 1.211 21 residues pruned to eliminate duplicates Z: 9 8.800 1.947 0.426 0.507 0.750 0.625 CB 1.484 Z: 11 10.788 1.590 0.450 0.736 1.000 0.700 CB 1.197 10 residues pruned to eliminate duplicates Z: 10 3.371 1.733 0.266 0.250 0.667 0.333 CB 1.024 Z: 12 13.640 1.814 0.585 0.841 0.909 0.545 CB 1.173 12 residues pruned to eliminate duplicates Z: 20 30.352 1.846 0.851 0.912 1.000 0.895 CB 1.443 22 residues pruned to eliminate duplicates Z: 6 3.809 1.557 0.396 0.687 0.800 0.400 CB 0.825 Z: 22 15.324 1.934 0.571 0.478 0.952 0.667 CB 1.182 22 residues pruned to eliminate duplicates Z: 7 8.181 1.718 0.408 0.553 0.833 0.500 CB 1.574 6 1.636 1.350 0.191 0.417 0.800 0.400 CB 0.620 ? Z: 17 21.291 1.807 0.601 0.848 1.000 0.750 CB 1.365 16 residues pruned to eliminate duplicates Z: 11 9.446 1.817 0.661 0.435 0.900 0.400 CB 1.177 Z: 22 8.372 1.803 0.468 0.322 0.810 0.429 CB 1.037 Z: 13 16.232 1.659 0.688 0.868 1.000 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 9 5.070 1.718 -0.068 0.359 1.000 0.625 CB 1.304 6 residues pruned to eliminate duplicates Z: 10 13.910 2.000 0.412 0.789 1.000 0.889 CB 1.274 10 residues pruned to eliminate duplicates Z: 15 9.991 1.869 0.574 0.299 0.786 0.429 CB 1.446 14 residues pruned to eliminate duplicates Z: 7 6.084 1.546 0.450 0.662 0.833 0.667 CB 1.145 Z: 9 13.526 1.801 0.407 0.736 1.000 0.500 O 1.527 9 residues pruned to eliminate duplicates Z: 11 4.779 1.712 0.200 0.829 1.000 0.900 CB 0.554 7 residues pruned to eliminate duplicates Z: 6 3.507 1.598 0.351 0.300 0.800 0.600 CB 1.135 Z: 7 11.656 1.970 0.607 0.690 1.000 0.667 CB 1.263 7 residues pruned to eliminate duplicates Z: 13 21.362 2.000 0.503 0.841 1.000 0.667 CB 1.531 13 residues pruned to eliminate duplicates Z: 11 12.912 1.696 0.379 0.891 1.000 1.000 CB 1.256 Z: 6 4.208 1.697 0.204 0.567 1.000 0.800 CB 0.863 Z: 16 18.265 1.820 0.939 0.770 0.867 0.600 CB 1.214 15 residues pruned to eliminate duplicates Z: 15 10.054 1.646 0.392 0.611 0.857 0.500 CB 1.231 Z: 21 8.776 1.775 0.410 0.396 0.850 0.500 CB 1.030 13 residues pruned to eliminate duplicates Z: 6 3.517 2.049 0.532 0.740 0.800 0.800 CB 0.505 Z: 7 12.798 1.713 0.606 0.852 1.000 0.667 O 1.405 Z: 8 7.478 1.793 0.452 0.898 1.000 0.857 CB 0.776 Z: 10 4.001 1.571 0.559 0.257 0.556 0.333 N 1.295 Z: 13 2.686 1.593 0.207 0.331 0.750 0.417 CB 0.647 Z: 10 11.633 1.775 0.433 0.858 1.000 0.889 O 1.123 9 residues pruned to eliminate duplicates Z: 7 2.769 1.413 0.325 0.314 0.667 0.333 N 1.113 Z: 20 37.566 2.072 1.048 0.937 1.000 0.895 CB 1.413 20 residues pruned to eliminate duplicates Z: 18 6.445 1.537 0.316 0.342 0.824 0.294 N 1.115 Z: 10 5.967 1.738 0.231 0.739 0.778 0.556 CB 0.965 10 residues pruned to eliminate duplicates Z: 14 10.603 1.736 0.632 0.743 0.846 0.615 CB 0.987 14 residues pruned to eliminate duplicates Z: 9 10.905 1.642 0.741 0.814 1.000 0.875 CB 1.026 Z: 13 11.390 1.634 0.495 0.657 1.000 0.667 CB 1.163 Z: 13 9.193 1.704 0.431 0.794 0.833 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 13 19.504 1.677 0.880 0.891 1.000 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 16 20.609 1.781 0.571 0.792 1.000 0.600 O 1.472 16 residues pruned to eliminate duplicates Z: 6 6.404 1.825 0.162 0.705 0.800 0.800 O 1.401 5 residues pruned to eliminate duplicates Z: 17 25.733 1.864 0.824 0.872 1.000 0.812 CB 1.380 17 residues pruned to eliminate duplicates Z: 13 19.893 1.947 0.638 0.930 1.000 1.000 CB 1.260 15 residues pruned to eliminate duplicates Z: 6 6.511 1.668 1.091 0.650 0.800 0.600 CB 0.907 Z: 44 17.821 1.877 0.583 0.475 0.814 0.535 CB 1.152 30 residues pruned to eliminate duplicates Z: 14 11.197 1.631 0.478 0.834 0.923 0.615 CB 1.047 11 residues pruned to eliminate duplicates Z: 16 15.956 1.880 0.595 0.819 0.933 0.800 CB 1.115 16 residues pruned to eliminate duplicates Z: 6 3.091 1.372 0.353 0.630 0.600 0.600 N 1.097 Z: 12 12.534 1.897 0.570 0.533 0.818 0.455 CB 1.502 12 residues pruned to eliminate duplicates Z: 23 32.094 2.012 0.914 0.913 1.000 0.727 CB 1.258 23 residues pruned to eliminate duplicates Z: 16 20.879 1.874 0.908 0.891 0.933 0.800 CB 1.161 16 residues pruned to eliminate duplicates Z: 11 5.834 1.640 0.834 0.361 0.800 0.500 CB 0.890 Z: 7 5.994 1.485 0.373 0.553 1.000 0.500 N 1.139 Z: 21 31.040 1.985 0.789 0.884 1.000 0.800 CB 1.412 21 residues pruned to eliminate duplicates Z: 7 5.041 1.858 0.245 0.738 0.667 0.500 CB 1.078 Z: 9 10.418 1.795 0.318 0.832 1.000 0.875 CB 1.169 Z: 8 6.132 1.783 0.400 0.420 1.000 0.429 CB 1.009 Z: 10 7.998 1.611 0.222 0.833 0.889 0.667 O 1.143 6 1.448 1.727 0.292 0.278 0.400 0.400 CB 0.933 ? Z: 16 27.985 1.975 0.882 0.883 0.933 0.600 CB 1.506 33 residues pruned to eliminate duplicates Z: 7 6.604 1.662 0.439 0.537 1.000 0.833 CB 1.088 6 residues pruned to eliminate duplicates Z: 8 7.942 1.840 0.363 0.653 1.000 0.714 CB 1.038 Z: 12 23.828 1.976 0.819 0.896 1.000 0.818 O 1.432 12 residues pruned to eliminate duplicates Z: 18 14.568 1.754 0.767 0.471 0.882 0.471 N 1.330 17 residues pruned to eliminate duplicates Z: 7 7.702 1.986 0.492 0.854 1.000 0.667 CB 0.784 Z: 13 11.341 1.827 0.383 0.826 1.000 0.750 CB 0.977 13 residues pruned to eliminate duplicates 6 1.828 1.515 0.181 0.279 0.800 0.400 CB 0.733 ? Z: 13 7.825 1.704 0.630 0.865 0.750 0.667 CB 0.794 13 residues pruned to eliminate duplicates Z: 10 4.957 1.571 0.660 0.342 0.778 0.444 CB 0.968 Z: 15 11.407 1.648 0.364 0.905 1.000 0.786 CB 0.966 Z: 11 14.281 1.883 0.775 0.872 1.000 0.700 CB 0.985 11 residues pruned to eliminate duplicates Z: 17 14.890 1.759 0.852 0.812 0.812 0.562 CB 1.072 17 residues pruned to eliminate duplicates Z: 12 17.700 1.826 0.747 0.879 1.000 0.818 CB 1.213 13 residues pruned to eliminate duplicates Z: 22 10.946 1.671 0.327 0.416 0.952 0.571 CB 1.234 22 residues pruned to eliminate duplicates Z: 7 5.635 1.938 0.732 0.711 0.833 0.667 CB 0.679 7 residues pruned to eliminate duplicates Z: 8 5.751 1.998 0.499 0.229 0.714 0.286 CB 1.395 Z: 9 9.876 1.788 0.178 0.840 1.000 0.875 O 1.237 7 residues pruned to eliminate duplicates Z: 8 10.019 1.936 0.532 0.539 0.857 0.571 N 1.433 10 residues pruned to eliminate duplicates Z: 10 3.624 1.509 0.181 0.349 0.667 0.222 O 1.197 Z: 13 8.895 1.777 0.514 0.667 0.750 0.333 CB 1.091 9 residues pruned to eliminate duplicates Z: 7 6.722 1.861 0.230 0.550 0.833 0.667 O 1.370 7 residues pruned to eliminate duplicates Z: 9 9.211 1.660 0.694 0.784 0.750 0.375 CB 1.203 9 residues pruned to eliminate duplicates Z: 19 14.118 1.704 0.893 0.559 0.778 0.611 CB 1.253 19 residues pruned to eliminate duplicates Z: 9 9.021 1.582 0.348 0.894 1.000 0.875 CB 1.072 Z: 13 14.530 1.799 0.925 0.718 0.833 0.167 CB 1.194 12 residues pruned to eliminate duplicates Z: 12 10.892 1.823 0.384 0.893 1.000 0.909 CB 0.934 12 residues pruned to eliminate duplicates 7 1.707 1.606 0.620 0.709 0.667 0.333 CB 0.332 ? Z: 11 12.711 1.885 0.960 0.801 0.900 0.600 CB 0.929 11 residues pruned to eliminate duplicates Z: 10 7.125 1.742 0.229 0.492 1.000 0.778 CB 1.118 Z: 9 9.092 1.775 0.399 0.765 0.875 0.500 CB 1.170 9 residues pruned to eliminate duplicates 7 1.939 1.353 0.700 0.237 0.833 0.500 N 0.560 ? Z: 8 5.520 1.629 0.185 0.870 1.000 1.000 CB 0.789 Z: 6 4.606 1.677 0.336 0.543 0.800 0.600 CB 1.101 Z: 11 3.618 1.533 0.629 0.204 0.700 0.600 CB 0.930 5 residues pruned to eliminate duplicates Z: 7 7.666 1.575 0.401 0.738 1.000 0.667 CB 1.146 7 residues pruned to eliminate duplicates Z: 17 7.201 1.693 0.651 0.422 0.625 0.188 CB 1.117 8 residues pruned to eliminate duplicates Z: 6 9.049 1.875 0.997 0.747 0.800 0.800 CB 1.084 Z: 9 10.145 1.744 0.387 0.879 1.000 1.000 O 1.075 10 residues pruned to eliminate duplicates Z: 18 15.890 1.766 0.633 0.842 0.882 0.706 CB 1.128 16 residues pruned to eliminate duplicates Z: 16 10.790 1.777 0.552 0.285 1.000 0.467 CB 1.287 11 residues pruned to eliminate duplicates Z: 8 8.287 1.735 0.430 0.843 1.000 0.571 CB 0.940 Z: 10 7.811 1.483 0.574 0.784 0.778 0.667 O 1.116 Z: 7 4.193 1.486 0.453 0.530 0.833 0.333 N 0.923 6 1.273 1.242 0.691 0.458 0.800 0.600 N 0.353 ? Z: 8 8.856 1.731 0.588 0.917 1.000 1.000 CB 0.859 8 residues pruned to eliminate duplicates Z: 9 6.690 1.727 0.695 0.405 0.750 0.625 N 1.190 4 residues pruned to eliminate duplicates Z: 16 32.280 1.979 1.180 0.919 1.000 0.867 CB 1.361 16 residues pruned to eliminate duplicates Z: 7 3.179 1.681 0.839 0.249 0.500 0.333 N 1.120 Z: 16 24.572 1.899 1.033 0.889 1.000 0.867 CB 1.183 16 residues pruned to eliminate duplicates Z: 6 4.295 1.455 0.335 0.655 0.800 0.800 N 1.071 Z: 14 21.129 1.938 0.624 0.852 0.923 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 21 22.288 1.786 0.750 0.840 0.950 0.650 CB 1.253 21 residues pruned to eliminate duplicates Z: 7 2.506 1.382 0.366 0.550 0.667 0.667 CB 0.775 Z: 12 18.067 1.811 0.738 0.805 0.909 0.727 CB 1.459 12 residues pruned to eliminate duplicates Z: 9 11.135 1.619 0.694 0.892 1.000 1.000 CB 1.031 Z: 9 2.822 1.426 0.234 0.322 0.625 0.250 N 1.104 Z: 8 2.435 1.690 -0.249 0.303 0.714 0.429 CB 1.264 Z: 12 9.809 1.648 0.368 0.807 0.909 0.818 CB 1.104 12 residues pruned to eliminate duplicates Z: 8 9.912 1.569 0.677 0.876 1.000 0.857 CB 1.035 6 residues pruned to eliminate duplicates Z: 14 12.872 1.677 0.507 0.817 0.846 0.615 CB 1.268 14 residues pruned to eliminate duplicates Z: 8 5.428 1.553 0.199 0.860 1.000 0.714 CB 0.810 7 residues pruned to eliminate duplicates Z: 11 8.339 1.482 0.417 0.818 0.900 0.800 CB 1.059 10 residues pruned to eliminate duplicates Z: 7 5.330 1.455 0.038 0.736 1.000 0.667 O 1.166 Z: 6 4.599 1.567 0.469 0.824 1.000 0.800 CB 0.675 Z: 8 3.682 1.530 0.389 0.359 0.714 0.286 CB 1.067 Z: 14 10.682 1.751 0.543 0.907 0.846 0.692 CB 0.921 14 residues pruned to eliminate duplicates Z: 12 12.457 1.646 0.410 0.884 1.000 0.818 CB 1.169 12 residues pruned to eliminate duplicates Z: 7 11.922 1.758 0.782 0.803 1.000 1.000 CB 1.193 Z: 10 4.724 1.356 0.463 0.497 0.778 0.222 CB 1.024 Z: 12 4.872 1.604 0.190 0.369 0.818 0.636 CB 1.082 Z: 9 9.924 1.770 0.304 0.876 1.000 0.875 CB 1.104 9 residues pruned to eliminate duplicates Z: 6 5.524 1.606 0.179 0.782 0.800 0.800 CB 1.273 Z: 12 12.204 1.695 0.527 0.821 0.909 0.727 CB 1.183 12 residues pruned to eliminate duplicates Z: 6 5.486 1.530 0.793 0.615 0.800 0.800 CB 1.003 Z: 11 6.284 1.659 0.086 0.520 1.000 0.700 CB 1.082 11 residues pruned to eliminate duplicates Z: 11 10.400 1.729 0.620 0.721 0.800 0.800 CB 1.202 11 residues pruned to eliminate duplicates Z: 14 6.977 1.684 0.534 0.698 0.923 0.692 CB 0.678 14 residues pruned to eliminate duplicates Z: 8 2.112 1.714 0.307 0.324 0.714 0.286 CB 0.605 Z: 8 8.578 1.636 0.638 0.845 0.857 0.571 N 1.049 8 residues pruned to eliminate duplicates Z: 12 14.157 1.935 0.406 0.907 1.000 1.000 CB 1.115 12 residues pruned to eliminate duplicates Z: 7 8.018 1.813 0.487 0.752 1.000 0.833 CB 0.970 Z: 6 4.026 1.515 0.212 0.653 0.800 0.800 CB 1.063 6 residues pruned to eliminate duplicates Z: 9 13.245 1.919 0.630 0.777 0.875 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 14 4.828 1.547 0.679 0.468 0.692 0.308 CB 0.769 Z: 8 2.538 1.646 0.313 0.253 0.714 0.429 CB 0.825 Z: 8 4.690 1.606 0.069 0.483 0.857 0.571 CB 1.226 Z: 9 6.613 1.680 0.534 0.782 1.000 0.500 CB 0.708 Z: 11 10.941 1.655 0.293 0.844 1.000 0.900 CB 1.202 11 residues pruned to eliminate duplicates Z: 16 8.156 1.747 0.282 0.314 0.933 0.733 CB 1.237 16 residues pruned to eliminate duplicates Z: 7 11.763 1.714 0.619 0.878 1.000 0.833 CB 1.256 Z: 6 5.522 1.576 0.434 0.685 0.800 0.600 CB 1.152 6 residues pruned to eliminate duplicates Z: 8 6.183 1.700 -0.023 0.895 1.000 1.000 O 1.008 Z: 8 3.922 1.569 0.251 0.355 0.714 0.429 CB 1.237 8 residues pruned to eliminate duplicates Z: 13 6.526 1.566 0.621 0.682 0.833 0.667 CB 0.753 4 residues pruned to eliminate duplicates Z: 14 13.518 1.574 0.626 0.864 0.923 0.462 CB 1.164 10 residues pruned to eliminate duplicates Z: 14 8.058 1.664 0.399 0.444 0.769 0.615 CB 1.322 Z: 14 12.207 1.670 0.598 0.894 1.000 0.692 CB 0.910 25 residues pruned to eliminate duplicates Z: 6 4.301 1.714 0.395 0.464 1.000 0.600 CB 0.835 6 residues pruned to eliminate duplicates Z: 7 9.523 1.873 0.595 0.766 0.833 0.833 CB 1.233 7 residues pruned to eliminate duplicates Z: 6 6.643 1.732 0.612 0.624 0.800 0.800 CB 1.183 6 residues pruned to eliminate duplicates Z: 11 15.154 1.825 0.604 0.893 1.000 0.900 CB 1.176 11 residues pruned to eliminate duplicates Z: 12 10.965 1.518 0.869 0.810 0.909 0.636 CB 0.978 14 residues pruned to eliminate duplicates Z: 7 3.080 1.580 0.068 0.390 0.833 0.500 CB 1.005 Z: 13 12.365 1.624 0.411 0.878 1.000 0.833 CB 1.130 13 residues pruned to eliminate duplicates Z: 7 2.348 1.837 0.595 0.249 0.667 0.667 CB 0.655 Z: 9 10.299 1.883 0.356 0.869 0.875 0.750 CB 1.191 9 residues pruned to eliminate duplicates Z: 9 7.411 1.623 0.383 0.846 1.000 0.625 CB 0.867 9 residues pruned to eliminate duplicates 7 1.646 1.381 0.307 0.343 0.667 0.500 C 0.662 ? Z: 17 4.338 1.682 0.397 0.393 0.500 0.250 CB 1.033 Z: 7 3.124 1.656 0.044 0.365 1.000 0.833 CB 0.853 Z: 7 11.843 1.917 0.799 0.843 1.000 0.500 CB 1.044 7 residues pruned to eliminate duplicates Z: 15 10.126 1.549 0.781 0.896 1.000 0.643 CB 0.703 15 residues pruned to eliminate duplicates Z: 8 3.695 1.582 -0.112 0.423 0.857 0.571 CB 1.256 Z: 9 7.391 1.595 0.102 0.892 1.000 1.000 CB 1.068 Z: 6 2.958 1.492 0.091 0.437 0.800 0.400 N 1.084 Z: 8 7.157 1.783 0.268 0.883 0.857 0.857 CB 1.009 8 residues pruned to eliminate duplicates Z: 8 3.644 1.526 0.123 0.453 0.714 0.429 CB 1.181 Z: 20 24.592 1.835 0.974 0.855 0.947 0.526 CB 1.214 20 residues pruned to eliminate duplicates Z: 6 5.011 1.573 0.538 0.486 1.000 0.800 CB 0.939 Z: 16 4.529 1.737 0.211 0.734 1.000 0.667 CB 0.450 7 residues pruned to eliminate duplicates Z: 22 8.283 1.762 0.224 0.349 0.810 0.524 CB 1.220 15 residues pruned to eliminate duplicates 6 1.620 1.510 0.239 0.292 0.600 0.400 CB 0.815 ? Z: 9 4.518 1.679 0.153 0.399 0.750 0.375 CB 1.224 Z: 13 4.881 1.532 0.252 0.475 0.750 0.500 CB 1.004 4 residues pruned to eliminate duplicates Z: 10 8.974 1.848 0.209 0.662 0.889 0.778 CB 1.297 14 residues pruned to eliminate duplicates Z: 7 4.525 1.581 0.290 0.481 0.833 0.667 CB 1.108 Z: 57 18.774 1.850 0.529 0.476 0.732 0.375 CB 1.242 70 residues pruned to eliminate duplicates Z: 20 17.518 1.815 0.720 0.773 0.789 0.684 CB 1.281 20 residues pruned to eliminate duplicates Z: 16 12.668 1.873 0.682 0.446 0.733 0.467 CB 1.496 Z: 10 7.579 1.827 0.489 0.304 1.000 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 17 10.831 1.744 0.593 0.569 0.812 0.438 CB 1.122 Z: 11 7.243 1.688 0.488 0.692 0.900 0.600 CB 0.850 11 residues pruned to eliminate duplicates Z: 9 5.893 1.860 0.298 0.377 0.875 0.750 CB 1.125 9 residues pruned to eliminate duplicates Z: 7 3.998 1.733 0.482 0.429 0.667 0.500 N 1.027 7 residues pruned to eliminate duplicates Z: 15 5.151 1.620 0.293 0.245 0.857 0.500 CB 1.029 15 residues pruned to eliminate duplicates Z: 7 5.828 1.512 0.125 0.736 0.833 0.667 CB 1.358 7 residues pruned to eliminate duplicates Z: 6 5.467 1.523 0.495 0.736 1.000 0.600 CB 0.869 Z: 9 4.926 1.579 0.219 0.596 0.875 0.750 CB 0.944 8 residues pruned to eliminate duplicates Z: 7 16.211 1.795 0.763 0.851 1.000 0.833 CB 1.548 7 residues pruned to eliminate duplicates Z: 17 30.906 1.958 0.817 0.907 1.000 0.688 CB 1.543 17 residues pruned to eliminate duplicates Z: 6 6.636 1.689 0.547 0.707 0.800 0.800 CB 1.177 6 residues pruned to eliminate duplicates Z: 15 12.215 1.609 0.709 0.693 0.786 0.571 CB 1.268 15 residues pruned to eliminate duplicates Z: 7 4.314 1.553 0.137 0.455 0.833 0.500 CB 1.253 Z: 7 9.125 1.612 0.739 0.724 0.833 0.500 N 1.303 7 residues pruned to eliminate duplicates 6 1.817 1.352 -0.022 0.553 0.800 0.400 CB 0.729 ? Z: 6 4.674 1.784 0.443 0.737 0.800 0.600 CB 0.821 6 residues pruned to eliminate duplicates Z: 14 16.107 1.821 0.506 0.909 1.000 0.846 CB 1.155 9 residues pruned to eliminate duplicates Z: 14 14.005 1.696 0.516 0.783 0.923 0.462 CB 1.276 16 residues pruned to eliminate duplicates 6 1.865 1.730 -0.109 0.432 0.600 0.400 CB 0.967 ? Z: 8 15.443 1.918 0.535 0.837 1.000 0.429 N 1.484 8 residues pruned to eliminate duplicates Z: 8 9.864 1.676 0.481 0.878 1.000 0.857 CB 1.090 8 residues pruned to eliminate duplicates Z: 11 5.833 1.725 0.073 0.364 1.000 0.600 CB 1.154 9 residues pruned to eliminate duplicates Z: 9 3.644 1.760 0.113 0.357 0.625 0.375 CB 1.227 9 residues pruned to eliminate duplicates Z: 7 6.991 1.825 0.451 0.877 1.000 0.667 CB 0.782 14 residues pruned to eliminate duplicates Z: 6 2.419 1.647 0.076 0.249 0.800 0.400 CB 1.019 Z: 18 13.726 1.831 0.508 0.538 0.824 0.588 CB 1.410 17 residues pruned to eliminate duplicates Z: 16 16.036 1.752 0.734 0.851 0.933 0.467 CB 1.081 16 residues pruned to eliminate duplicates Z: 7 3.626 1.603 -0.023 0.599 0.833 0.333 CB 1.032 Z: 12 7.531 1.708 0.555 0.788 0.818 0.636 CB 0.811 12 residues pruned to eliminate duplicates Z: 8 12.244 1.673 0.614 0.850 1.000 0.714 CB 1.270 8 residues pruned to eliminate duplicates Z: 7 3.626 1.727 0.134 0.127 1.000 0.333 N 1.206 7 residues pruned to eliminate duplicates Z: 10 5.483 1.586 0.481 0.643 0.778 0.444 CB 0.875 Z: 6 5.679 1.590 0.628 0.454 0.800 0.600 CB 1.286 Z: 17 25.188 1.945 1.144 0.603 0.938 0.688 CB 1.460 17 residues pruned to eliminate duplicates Z: 9 3.623 1.579 0.379 0.228 0.625 0.375 O 1.292 Z: 8 2.603 1.569 0.056 0.396 0.571 0.429 O 1.160 8 residues pruned to eliminate duplicates Z: 8 3.873 1.532 0.352 0.588 0.857 0.571 CB 0.758 Z: 25 12.326 1.842 0.475 0.518 0.708 0.500 CB 1.284 25 residues pruned to eliminate duplicates Z: 11 5.738 1.551 0.451 0.438 0.800 0.400 O 1.074 6 1.681 1.434 0.373 0.346 0.400 0.200 C 1.128 ? Z: 7 3.460 1.724 0.466 0.249 0.500 0.333 O 1.492 Z: 8 9.068 1.627 0.439 0.896 1.000 1.000 CB 1.049 16 residues pruned to eliminate duplicates Z: 8 3.412 1.681 0.721 0.179 0.714 0.429 CB 0.919 8 residues pruned to eliminate duplicates 9 1.997 1.589 0.588 0.217 0.500 0.500 CB 0.780 ? Z: 11 10.877 1.790 0.499 0.528 0.900 0.200 N 1.386 Z: 16 22.491 1.777 0.925 0.818 0.933 0.600 CB 1.379 16 residues pruned to eliminate duplicates Z: 7 2.243 1.498 0.337 0.344 0.667 0.500 CB 0.813 7 1.167 1.265 0.601 0.232 0.500 0.333 N 0.643 ? Z: 18 7.714 1.559 0.500 0.461 0.706 0.353 CB 1.180 17 residues pruned to eliminate duplicates Z: 12 12.791 1.782 1.096 0.818 0.818 0.273 CB 0.957 12 residues pruned to eliminate duplicates Z: 17 7.051 1.477 0.459 0.398 0.812 0.312 N 1.121 14 residues pruned to eliminate duplicates Z: 9 4.393 1.753 0.398 0.416 0.750 0.625 CB 0.923 9 residues pruned to eliminate duplicates Z: 9 5.976 1.710 0.122 0.333 1.000 0.375 O 1.321 24 residues pruned to eliminate duplicates 6 1.558 1.191 0.781 0.609 0.800 0.800 CB 0.370 ? Z: 8 8.190 1.600 0.501 0.544 1.000 0.714 CB 1.235 7 residues pruned to eliminate duplicates Z: 15 16.756 1.875 0.748 0.727 0.929 0.643 CB 1.200 15 residues pruned to eliminate duplicates Z: 14 11.697 1.577 0.581 0.871 0.923 0.692 CB 1.028 10 residues pruned to eliminate duplicates Z: 7 3.293 1.579 0.464 0.332 1.000 0.500 CB 0.698 Z: 8 7.849 1.867 0.496 0.335 1.000 0.857 CB 1.272 8 residues pruned to eliminate duplicates Z: 16 6.763 1.535 0.505 0.400 0.800 0.467 CB 1.049 14 residues pruned to eliminate duplicates 6 1.826 1.546 -0.269 0.289 0.800 0.400 CB 1.146 ? Z: 12 11.103 1.760 0.808 0.523 0.818 0.545 CB 1.257 13 residues pruned to eliminate duplicates Z: 8 6.619 1.758 0.199 0.854 0.857 0.714 CB 1.022 8 residues pruned to eliminate duplicates Z: 8 3.838 1.485 0.224 0.765 0.857 0.857 CB 0.736 Z: 8 7.470 1.523 0.422 0.805 0.857 0.571 CB 1.166 Z: 9 9.533 1.786 0.625 0.355 0.875 0.375 N 1.552 10 residues pruned to eliminate duplicates 6 1.841 1.619 0.689 0.869 1.000 0.800 CB 0.220 ? Z: 11 3.372 1.429 0.323 0.241 0.800 0.600 CB 0.951 Z: 9 9.482 1.897 0.090 0.890 1.000 0.875 CB 1.166 9 residues pruned to eliminate duplicates 6 1.279 1.254 0.409 0.289 0.600 0.400 CB 0.683 ? Z: 8 5.000 1.373 0.622 0.691 0.714 0.571 N 0.997 8 residues pruned to eliminate duplicates Z: 7 8.560 1.466 0.339 0.803 1.000 0.500 CB 1.367 7 residues pruned to eliminate duplicates Z: 12 6.290 1.760 0.643 0.398 0.727 0.545 CB 1.004 8 residues pruned to eliminate duplicates Z: 12 10.726 1.656 0.421 0.853 1.000 0.636 CB 1.016 12 residues pruned to eliminate duplicates Z: 9 6.244 1.476 0.528 0.881 0.875 0.875 CB 0.810 7 residues pruned to eliminate duplicates Z: 6 6.021 1.592 0.376 0.742 1.000 0.800 CB 0.989 6 residues pruned to eliminate duplicates Z: 10 2.919 1.487 0.643 0.222 0.556 0.333 O 0.993 Z: 6 3.040 1.311 0.320 0.619 1.000 0.800 CB 0.702 6 residues pruned to eliminate duplicates Z: 18 22.580 1.860 0.562 0.847 1.000 0.706 O 1.400 18 residues pruned to eliminate duplicates Z: 8 3.833 1.379 0.256 0.450 1.000 0.714 CB 0.880 Z: 8 4.989 1.736 0.349 0.191 0.857 0.571 O 1.360 Z: 6 3.284 1.444 0.556 0.425 0.600 0.600 CA 1.178 Z: 12 11.742 1.599 0.580 0.845 0.909 0.818 CB 1.146 8 residues pruned to eliminate duplicates Z: 9 6.278 1.677 0.741 0.354 0.875 0.375 CB 1.017 Z: 8 2.771 1.518 0.067 0.325 0.714 0.429 CB 1.098 7 residues pruned to eliminate duplicates Z: 8 2.413 1.622 0.283 0.210 0.714 0.714 CB 0.864 6 residues pruned to eliminate duplicates Z: 12 6.983 1.640 0.357 0.558 0.909 0.455 CB 0.983 Z: 17 6.711 1.646 0.377 0.245 0.750 0.375 N 1.325 6 residues pruned to eliminate duplicates Z: 10 14.607 1.656 0.740 0.814 1.000 0.667 CB 1.285 Z: 6 2.534 1.525 0.034 0.516 0.800 0.400 CB 0.884 Z: 17 7.314 1.654 0.649 0.435 0.688 0.562 CB 1.043 Z: 10 11.036 1.492 0.826 0.881 1.000 0.889 CB 0.978 11 residues pruned to eliminate duplicates Z: 8 3.735 1.374 0.288 0.369 0.857 0.857 N 1.072 Z: 9 10.312 1.788 0.440 0.642 0.875 0.750 CB 1.418 9 residues pruned to eliminate duplicates Z: 12 10.441 1.611 0.788 0.546 1.000 0.545 CB 1.045 12 residues pruned to eliminate duplicates Z: 8 5.159 1.389 0.443 0.724 0.857 0.429 N 0.927 6 1.225 1.223 0.285 0.286 0.600 0.200 O 0.740 ? Z: 7 2.059 1.286 0.401 0.331 0.833 0.333 N 0.674 Z: 9 2.802 1.580 0.248 0.246 0.750 0.500 CB 0.898 Z: 8 4.928 1.418 0.106 0.452 1.000 0.286 N 1.249 Z: 7 2.485 1.449 0.102 0.631 0.667 0.500 CB 0.842 8 residues pruned to eliminate duplicates Z: 6 2.033 1.411 0.089 0.340 0.600 0.400 CB 1.173 Z: 8 4.373 1.490 0.031 0.357 1.000 0.286 CB 1.256 Z: 8 3.274 1.511 0.283 0.619 1.000 0.714 CB 0.571 5 residues pruned to eliminate duplicates Z: 8 8.700 1.816 0.639 0.345 0.857 0.429 CB 1.525 Z: 10 9.655 1.668 0.316 0.775 0.889 0.889 CB 1.293 9 residues pruned to eliminate duplicates Z: 20 21.227 2.008 0.540 0.899 1.000 0.842 CB 1.125 20 residues pruned to eliminate duplicates Z: 8 2.544 1.639 0.014 0.308 0.857 0.571 CB 0.835 Z: 8 4.576 1.128 0.898 0.504 0.857 0.429 C 0.938 Z: 23 9.868 1.702 0.467 0.416 0.727 0.455 N 1.265 35 residues pruned to eliminate duplicates Z: 13 9.671 1.513 0.716 0.765 0.750 0.583 CB 1.133 9 residues pruned to eliminate duplicates Z: 8 8.317 1.633 0.517 0.772 0.857 0.571 CB 1.164 8 residues pruned to eliminate duplicates Z: 6 2.003 1.392 0.159 0.529 1.000 0.600 CB 0.539 Z: 6 5.787 1.735 0.726 0.845 1.000 0.800 CB 0.642 Z: 17 7.981 1.772 0.692 0.300 0.625 0.312 CB 1.332 17 residues pruned to eliminate duplicates Z: 20 7.696 1.674 0.348 0.278 0.842 0.474 CB 1.194 20 residues pruned to eliminate duplicates Z: 17 9.855 1.515 0.359 0.876 0.875 0.562 CB 0.994 17 residues pruned to eliminate duplicates Z: 9 3.219 1.429 0.593 0.238 0.625 0.250 CB 1.083 Z: 7 2.109 1.396 0.194 0.341 0.667 0.500 CB 0.920 7 residues pruned to eliminate duplicates Z: 7 2.405 1.321 0.516 0.401 0.667 0.667 CB 0.816 Z: 14 8.822 1.447 0.455 0.785 0.923 0.615 CB 0.980 9 residues pruned to eliminate duplicates Z: 32 10.083 1.621 0.602 0.290 0.710 0.355 N 1.243 18 residues pruned to eliminate duplicates Z: 23 6.163 1.681 0.306 0.307 0.727 0.545 CB 1.020 23 residues pruned to eliminate duplicates Z: 6 5.350 1.273 0.424 0.811 1.000 0.800 N 1.007 Z: 10 10.012 1.609 0.666 0.808 0.778 0.333 CB 1.223 10 residues pruned to eliminate duplicates Z: 43 16.839 1.815 0.456 0.471 0.881 0.595 CB 1.149 46 residues pruned to eliminate duplicates Z: 6 3.094 1.355 0.081 0.445 1.000 0.800 CB 1.000 Z: 7 3.740 1.740 0.369 0.332 0.667 0.333 CB 1.155 Z: 6 5.999 1.532 0.505 0.593 1.000 0.800 O 1.065 Z: 8 2.634 1.488 0.182 0.254 0.714 0.286 CB 1.051 6 1.951 1.402 0.148 0.471 0.800 0.600 CB 0.698 ? Z: 7 2.061 1.360 0.352 0.246 0.667 0.500 CB 0.921 Z: 14 11.859 1.725 0.523 0.873 0.923 0.846 O 0.988 14 residues pruned to eliminate duplicates Z: 7 3.529 1.166 0.531 0.690 0.833 0.833 O 0.814 Z: 6 6.062 1.619 0.204 0.666 1.000 0.600 N 1.193 Z: 6 4.848 1.357 0.910 0.546 1.000 0.600 N 0.800 Z: 17 24.498 1.869 1.022 0.927 0.875 0.438 CB 1.297 17 residues pruned to eliminate duplicates Z: 10 3.729 1.574 0.236 0.415 0.556 0.444 CB 1.257 10 residues pruned to eliminate duplicates Z: 8 3.673 1.504 0.383 0.321 0.714 0.429 CB 1.138 Z: 6 2.551 1.446 0.599 0.480 0.800 0.800 CB 0.630 Z: 13 5.789 1.836 0.275 0.334 0.833 0.417 CB 1.027 5 residues pruned to eliminate duplicates Z: 7 4.178 1.404 0.521 0.354 0.833 0.667 N 1.122 Z: 8 10.965 1.603 0.392 0.886 1.000 0.857 CB 1.340 8 residues pruned to eliminate duplicates Z: 7 8.064 1.407 0.579 0.722 1.000 0.500 O 1.214 7 residues pruned to eliminate duplicates Z: 8 5.036 1.429 0.735 0.723 0.857 0.714 CB 0.733 7 residues pruned to eliminate duplicates Z: 6 2.234 1.591 0.058 0.364 0.800 0.400 CB 0.858 Z: 11 8.681 1.700 0.356 0.789 0.900 0.700 CB 1.027 Z: 8 5.448 1.645 0.756 0.819 0.714 0.714 CB 0.756 8 residues pruned to eliminate duplicates Z: 9 4.786 1.384 0.443 0.717 0.750 0.375 CB 0.929 9 residues pruned to eliminate duplicates Z: 10 5.751 1.411 0.850 0.588 0.667 0.556 N 1.012 Z: 6 2.589 1.109 0.692 0.552 0.800 0.600 CB 0.733 Z: 10 12.691 1.703 0.807 0.788 0.778 0.556 CB 1.372 10 residues pruned to eliminate duplicates Z: 8 7.466 1.588 0.319 0.821 1.000 0.857 O 1.020 Z: 20 36.910 2.035 0.981 0.914 1.000 0.684 CB 1.485 20 residues pruned to eliminate duplicates Z: 8 8.635 1.492 0.510 0.861 1.000 1.000 CB 1.064 Z: 8 3.017 1.591 -0.160 0.473 0.857 0.429 CB 1.023 Z: 38 15.839 1.718 0.361 0.453 0.865 0.514 CB 1.351 58 residues pruned to eliminate duplicates Z: 6 4.811 1.250 0.802 0.767 1.000 0.800 O 0.753 Z: 7 4.096 1.275 0.947 0.619 0.833 0.500 N 0.722 Z: 16 3.956 1.534 0.257 0.295 0.600 0.333 CB 1.111 Z: 26 19.442 1.934 0.773 0.532 0.880 0.360 CB 1.249 26 residues pruned to eliminate duplicates Z: 6 3.754 1.544 0.450 0.297 0.800 0.600 O 1.176 Z: 12 7.266 1.783 0.861 0.788 1.000 0.818 CB 0.513 12 residues pruned to eliminate duplicates Z: 7 12.873 1.685 0.790 0.797 0.833 0.833 N 1.611 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 2.634 1.313 0.356 0.514 0.833 0.500 N 0.714 4 residues pruned to eliminate duplicates Z: 6 2.469 1.691 0.175 0.272 0.600 0.400 CB 1.200 Z: 9 9.854 1.651 0.423 0.893 0.875 0.875 CB 1.218 10 residues pruned to eliminate duplicates Z: 9 8.537 1.570 0.477 0.867 1.000 0.750 CB 0.952 9 residues pruned to eliminate duplicates Z: 9 10.497 1.615 0.642 0.882 0.875 0.750 CB 1.157 9 residues pruned to eliminate duplicates Z: 8 10.154 1.677 0.567 0.817 1.000 0.714 CB 1.110 8 residues pruned to eliminate duplicates Z: 8 9.044 1.739 0.571 0.826 0.857 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 8 10.073 1.662 0.515 0.838 1.000 0.429 CB 1.130 8 residues pruned to eliminate duplicates Z: 7 6.385 1.640 0.326 0.516 0.833 0.167 N 1.415 7 residues pruned to eliminate duplicates Z: 8 6.021 1.659 0.437 0.607 0.714 0.571 O 1.208 8 residues pruned to eliminate duplicates Z: 7 7.755 1.731 0.401 0.522 0.833 0.667 O 1.534 7 residues pruned to eliminate duplicates Z: 11 5.200 1.521 0.285 0.525 0.800 0.700 CB 1.026 11 residues pruned to eliminate duplicates Z: 11 6.334 1.583 0.255 0.452 1.000 0.500 CB 1.059 11 residues pruned to eliminate duplicates Z: 12 15.698 1.757 0.927 0.502 0.909 0.364 N 1.534 12 residues pruned to eliminate duplicates Z: 16 10.128 1.801 0.685 0.590 0.733 0.667 CB 1.078 15 residues pruned to eliminate duplicates Z: 12 16.964 1.940 0.839 0.792 0.909 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 17 15.197 1.816 0.717 0.668 0.812 0.562 CB 1.284 17 residues pruned to eliminate duplicates Z: 16 24.413 1.879 0.995 0.861 0.867 0.733 CB 1.425 17 residues pruned to eliminate duplicates Z: 16 26.987 1.888 1.016 0.874 1.000 0.800 CB 1.333 16 residues pruned to eliminate duplicates Z: 15 27.580 1.876 1.047 0.851 0.929 0.714 CB 1.530 16 residues pruned to eliminate duplicates Z: 15 20.866 1.890 0.833 0.842 0.857 0.714 CB 1.399 15 residues pruned to eliminate duplicates Z: 17 21.891 1.877 0.694 0.815 0.875 0.812 CB 1.495 17 residues pruned to eliminate duplicates Z: 14 21.461 1.847 0.984 0.799 0.923 0.692 CB 1.355 14 residues pruned to eliminate duplicates Z: 17 11.811 1.785 0.638 0.491 0.812 0.375 CB 1.254 17 residues pruned to eliminate duplicates Z: 17 21.765 1.865 0.849 0.731 0.875 0.688 CB 1.465 17 residues pruned to eliminate duplicates Z: 21 13.365 1.765 0.645 0.488 0.900 0.400 CB 1.157 31 residues pruned to eliminate duplicates Z: 17 21.084 1.817 0.782 0.789 0.938 0.688 CB 1.347 17 residues pruned to eliminate duplicates Z: 7 5.801 1.673 0.487 0.610 0.833 0.500 CB 1.029 7 residues pruned to eliminate duplicates Z: 8 5.122 1.548 0.585 0.495 0.714 0.429 CB 1.111 Z: 10 7.521 1.460 0.606 0.641 0.778 0.333 CB 1.205 7 residues pruned to eliminate duplicates Z: 11 16.357 1.664 0.862 0.890 0.900 0.800 CB 1.335 20 residues pruned to eliminate duplicates Z: 9 16.148 1.680 1.024 0.812 1.000 0.625 CB 1.279 9 residues pruned to eliminate duplicates Z: 15 10.145 1.647 0.795 0.514 0.857 0.357 CB 1.055 15 residues pruned to eliminate duplicates Z: 10 10.151 1.574 0.675 0.640 1.000 0.556 CB 1.126 10 residues pruned to eliminate duplicates Z: 8 8.368 1.648 0.633 0.804 0.857 0.714 CB 1.051 8 residues pruned to eliminate duplicates Z: 12 12.740 1.554 0.889 0.823 0.909 0.818 CB 1.088 11 residues pruned to eliminate duplicates Z: 11 16.132 1.668 0.844 0.832 0.900 0.800 CB 1.383 13 residues pruned to eliminate duplicates Z: 10 16.389 1.717 0.954 0.865 0.889 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 9 10.628 1.623 0.617 0.853 0.875 0.625 CB 1.210 9 residues pruned to eliminate duplicates Z: 23 16.309 1.996 0.656 0.419 0.818 0.682 CB 1.399 23 residues pruned to eliminate duplicates Z: 24 15.290 2.015 0.627 0.391 0.783 0.565 CB 1.394 24 residues pruned to eliminate duplicates Z: 13 12.814 2.037 0.486 0.514 0.917 0.667 CB 1.315 13 residues pruned to eliminate duplicates Z: 19 13.690 2.016 0.340 0.523 0.889 0.722 CB 1.313 19 residues pruned to eliminate duplicates Z: 25 14.456 1.987 0.376 0.414 0.833 0.583 CB 1.417 25 residues pruned to eliminate duplicates Z: 25 13.649 1.930 0.589 0.455 0.792 0.583 CB 1.201 25 residues pruned to eliminate duplicates Z: 14 10.976 2.003 0.417 0.441 0.769 0.538 CB 1.482 14 residues pruned to eliminate duplicates Z: 19 13.840 2.052 0.402 0.498 0.833 0.722 CB 1.364 19 residues pruned to eliminate duplicates Z: 15 16.641 2.059 0.740 0.556 0.929 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 21 13.123 1.971 0.410 0.463 0.800 0.400 CB 1.370 21 residues pruned to eliminate duplicates Z: 20 14.827 2.031 0.334 0.495 0.895 0.526 CB 1.411 20 residues pruned to eliminate duplicates Z: 20 16.272 2.046 0.347 0.545 0.895 0.579 CB 1.450 20 residues pruned to eliminate duplicates Z: 23 12.798 1.972 0.149 0.487 0.864 0.591 CB 1.413 23 residues pruned to eliminate duplicates Z: 9 10.399 1.928 0.419 0.466 1.000 0.750 CB 1.391 9 residues pruned to eliminate duplicates Z: 10 9.723 1.975 0.536 0.383 0.889 0.333 CB 1.361 10 residues pruned to eliminate duplicates Z: 13 9.467 1.967 0.375 0.467 0.833 0.583 CB 1.253 13 residues pruned to eliminate duplicates Z: 33 14.664 1.931 0.473 0.371 0.812 0.500 CB 1.288 33 residues pruned to eliminate duplicates Z: 9 10.446 1.929 0.718 0.596 0.875 0.625 CB 1.162 9 residues pruned to eliminate duplicates Z: 20 8.866 1.810 0.489 0.265 0.789 0.368 CB 1.250 20 residues pruned to eliminate duplicates Z: 11 8.271 1.941 0.532 0.445 0.800 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 24 13.159 1.997 0.368 0.456 0.739 0.565 CB 1.421 24 residues pruned to eliminate duplicates Z: 27 14.890 1.981 0.503 0.427 0.808 0.577 CB 1.311 27 residues pruned to eliminate duplicates Z: 29 14.728 1.968 0.392 0.342 0.893 0.464 CB 1.352 29 residues pruned to eliminate duplicates Z: 24 7.724 1.922 0.101 0.252 0.826 0.522 CB 1.225 24 residues pruned to eliminate duplicates Z: 19 7.110 1.925 0.017 0.248 0.833 0.389 CB 1.373 19 residues pruned to eliminate duplicates Z: 9 6.784 1.998 0.229 0.189 0.875 0.625 CB 1.619 9 residues pruned to eliminate duplicates Z: 42 13.190 1.889 0.330 0.362 0.780 0.415 CB 1.218 42 residues pruned to eliminate duplicates Z: 26 8.471 1.904 0.111 0.250 0.840 0.440 CB 1.271 26 residues pruned to eliminate duplicates Z: 19 8.028 1.920 0.210 0.246 0.833 0.500 CB 1.310 19 residues pruned to eliminate duplicates Z: 19 9.243 1.934 0.206 0.262 0.833 0.556 CB 1.470 19 residues pruned to eliminate duplicates Z: 28 16.905 1.967 0.454 0.408 0.852 0.593 CB 1.471 28 residues pruned to eliminate duplicates Z: 41 17.529 1.991 0.377 0.407 0.850 0.350 CB 1.311 41 residues pruned to eliminate duplicates Z: 26 12.332 1.995 0.331 0.307 0.800 0.520 CB 1.438 26 residues pruned to eliminate duplicates Z: 30 12.433 1.894 0.260 0.318 0.862 0.690 CB 1.372 30 residues pruned to eliminate duplicates Z: 25 8.422 1.939 0.186 0.282 0.792 0.458 CB 1.207 25 residues pruned to eliminate duplicates Z: 19 10.130 1.965 0.287 0.274 0.889 0.500 CB 1.371 19 residues pruned to eliminate duplicates Z: 25 13.472 1.921 0.401 0.320 0.875 0.625 CB 1.424 34 residues pruned to eliminate duplicates Z: 18 16.031 1.862 0.682 0.680 0.941 0.588 CB 1.117 20 residues pruned to eliminate duplicates Z: 17 18.286 1.926 0.817 0.741 0.938 0.625 CB 1.123 17 residues pruned to eliminate duplicates Z: 28 12.890 1.929 0.460 0.326 0.815 0.593 CB 1.309 28 residues pruned to eliminate duplicates Z: 6 7.088 2.155 0.397 0.696 1.000 0.400 CB 0.881 6 residues pruned to eliminate duplicates Z: 31 16.237 1.910 0.691 0.439 0.900 0.500 CB 1.086 31 residues pruned to eliminate duplicates Z: 33 16.791 1.925 0.693 0.472 0.875 0.562 CB 1.071 33 residues pruned to eliminate duplicates Z: 37 17.586 1.907 0.564 0.472 0.833 0.611 CB 1.213 37 residues pruned to eliminate duplicates Z: 34 13.901 1.893 0.614 0.448 0.758 0.333 CB 1.103 34 residues pruned to eliminate duplicates Z: 14 15.150 1.991 0.469 0.663 0.923 0.462 CB 1.338 14 residues pruned to eliminate duplicates Z: 31 17.278 1.959 0.615 0.466 0.867 0.467 CB 1.191 31 residues pruned to eliminate duplicates Z: 65 23.651 1.954 0.443 0.394 0.891 0.453 CB 1.317 65 residues pruned to eliminate duplicates Z: 9 10.442 1.909 0.765 0.821 0.875 0.375 CB 0.948 9 residues pruned to eliminate duplicates Z: 33 14.814 1.871 0.631 0.491 0.812 0.406 CB 1.066 33 residues pruned to eliminate duplicates Z: 58 21.837 1.896 0.536 0.442 0.807 0.491 CB 1.306 58 residues pruned to eliminate duplicates Z: 18 17.128 1.935 0.711 0.666 0.882 0.471 CB 1.220 18 residues pruned to eliminate duplicates Z: 15 12.922 1.928 0.616 0.506 0.857 0.643 CB 1.286 15 residues pruned to eliminate duplicates Z: 46 27.241 1.939 0.638 0.552 0.911 0.556 CB 1.333 46 residues pruned to eliminate duplicates Z: 34 25.056 1.934 0.636 0.644 0.909 0.636 CB 1.325 34 residues pruned to eliminate duplicates Z: 30 13.495 1.787 0.572 0.445 0.793 0.414 CB 1.190 30 residues pruned to eliminate duplicates Z: 32 15.213 1.853 0.621 0.446 0.871 0.516 CB 1.104 32 residues pruned to eliminate duplicates Z: 74 28.493 1.958 0.587 0.449 0.836 0.507 CB 1.354 74 residues pruned to eliminate duplicates Z: 11 20.493 2.037 0.756 0.688 0.900 0.800 CB 1.695 11 residues pruned to eliminate duplicates Z: 15 16.123 2.000 0.455 0.569 0.929 0.714 CB 1.492 15 residues pruned to eliminate duplicates Z: 30 22.709 1.936 0.750 0.499 0.897 0.621 CB 1.390 46 residues pruned to eliminate duplicates Z: 42 29.220 1.928 0.803 0.606 0.902 0.659 CB 1.315 42 residues pruned to eliminate duplicates Z: 16 23.167 1.933 0.860 0.741 0.933 0.667 CB 1.436 16 residues pruned to eliminate duplicates Z: 34 27.485 1.944 0.733 0.637 0.909 0.697 CB 1.375 34 residues pruned to eliminate duplicates Z: 17 27.048 2.013 0.903 0.739 0.875 0.688 CB 1.629 17 residues pruned to eliminate duplicates Z: 37 31.902 1.975 0.765 0.733 0.917 0.611 CB 1.350 37 residues pruned to eliminate duplicates Z: 17 26.688 2.045 0.821 0.737 0.938 0.688 CB 1.545 17 residues pruned to eliminate duplicates Z: 17 28.021 2.076 0.945 0.687 0.938 0.688 CB 1.559 17 residues pruned to eliminate duplicates Z: 9 2.941 1.758 0.476 0.239 0.625 0.250 N 0.868 9 residues pruned to eliminate duplicates Z: 26 20.670 1.905 0.803 0.709 0.920 0.560 CB 1.082 26 residues pruned to eliminate duplicates Z: 22 20.931 1.952 0.833 0.587 0.905 0.429 CB 1.298 22 residues pruned to eliminate duplicates Z: 15 14.290 1.924 0.908 0.468 0.786 0.357 N 1.367 15 residues pruned to eliminate duplicates Z: 10 3.427 2.000 0.127 0.212 0.556 0.222 CB 1.281 10 residues pruned to eliminate duplicates Z: 16 5.367 1.922 0.064 0.224 0.667 0.200 CB 1.404 15 residues pruned to eliminate duplicates Z: 6 5.252 1.749 0.065 0.297 1.000 0.200 O 1.583 7 residues pruned to eliminate duplicates Z: 8 5.147 1.443 0.374 0.550 0.857 0.714 CB 1.091 Z: 10 8.685 1.699 0.561 0.669 1.000 0.333 CB 0.934 18 residues pruned to eliminate duplicates Z: 11 6.626 1.829 0.305 0.512 0.800 0.400 CB 1.085 11 residues pruned to eliminate duplicates Z: 8 8.347 1.920 0.231 0.602 0.857 0.429 CB 1.413 Z: 9 4.225 1.626 0.116 0.761 0.875 0.625 CB 0.747 17 residues pruned to eliminate duplicates Z: 7 5.947 1.858 0.315 0.335 0.833 0.333 CB 1.429 Z: 8 5.521 1.389 0.644 0.458 0.857 0.714 N 1.113 Z: 20 18.240 1.809 0.857 0.681 0.842 0.474 CB 1.253 20 residues pruned to eliminate duplicates Z: 21 9.416 1.844 0.507 0.368 0.700 0.550 CB 1.247 21 residues pruned to eliminate duplicates Z: 13 9.091 1.831 0.689 0.442 0.917 0.500 CB 0.983 13 residues pruned to eliminate duplicates Z: 30 13.537 1.837 0.678 0.358 0.793 0.586 CB 1.198 30 residues pruned to eliminate duplicates Z: 9 5.392 1.823 0.321 0.331 0.750 0.500 CB 1.270 9 residues pruned to eliminate duplicates Z: 16 6.360 1.812 0.325 0.289 0.733 0.533 CB 1.182 16 residues pruned to eliminate duplicates Z: 17 8.575 1.868 0.398 0.335 0.812 0.438 CB 1.211 17 residues pruned to eliminate duplicates Z: 19 11.292 1.809 0.694 0.321 0.889 0.667 CB 1.190 19 residues pruned to eliminate duplicates Z: 21 9.801 1.882 0.420 0.287 0.900 0.450 CB 1.157 21 residues pruned to eliminate duplicates Z: 13 8.269 1.917 0.444 0.358 0.833 0.583 CB 1.205 13 residues pruned to eliminate duplicates Z: 29 16.611 1.864 0.637 0.403 0.964 0.500 CB 1.181 29 residues pruned to eliminate duplicates Z: 20 9.968 1.744 0.505 0.274 0.947 0.474 CB 1.188 20 residues pruned to eliminate duplicates Z: 17 17.923 1.939 0.670 0.529 0.938 0.500 CB 1.434 17 residues pruned to eliminate duplicates Z: 41 21.758 1.828 0.596 0.494 0.875 0.575 CB 1.356 41 residues pruned to eliminate duplicates Z: 29 18.537 1.821 0.819 0.382 0.893 0.464 N 1.342 29 residues pruned to eliminate duplicates Z: 32 20.079 1.940 0.605 0.471 1.000 0.516 CB 1.192 32 residues pruned to eliminate duplicates Z: 42 21.645 1.872 0.565 0.555 0.878 0.537 CB 1.246 42 residues pruned to eliminate duplicates Z: 22 18.392 1.932 0.512 0.491 0.952 0.571 CB 1.455 22 residues pruned to eliminate duplicates Z: 44 22.173 1.851 0.630 0.595 0.860 0.419 CB 1.189 44 residues pruned to eliminate duplicates Z: 12 21.145 1.960 0.804 0.808 0.909 0.545 CB 1.516 12 residues pruned to eliminate duplicates Z: 39 27.399 1.867 0.642 0.600 0.974 0.500 CB 1.353 43 residues pruned to eliminate duplicates Z: 16 25.960 1.930 0.650 0.866 1.000 0.867 N 1.541 17 residues pruned to eliminate duplicates Z: 16 23.442 1.895 0.649 0.855 1.000 0.800 N 1.429 16 residues pruned to eliminate duplicates Z: 41 21.702 1.813 0.672 0.509 0.950 0.600 CB 1.181 41 residues pruned to eliminate duplicates Z: 7 5.543 1.810 0.093 0.580 1.000 0.667 CB 1.059 7 residues pruned to eliminate duplicates Z: 41 21.268 1.884 0.563 0.458 0.900 0.575 CB 1.325 41 residues pruned to eliminate duplicates Z: 35 23.252 1.931 0.626 0.567 0.941 0.471 CB 1.265 35 residues pruned to eliminate duplicates Z: 7 3.932 1.640 0.286 0.561 0.500 0.333 CB 1.434 7 residues pruned to eliminate duplicates Z: 10 12.463 1.504 0.772 0.846 1.000 0.778 CB 1.158 10 residues pruned to eliminate duplicates Z: 10 11.506 1.542 0.558 0.848 1.000 0.667 CB 1.184 10 residues pruned to eliminate duplicates Z: 13 8.264 1.437 0.663 0.651 0.833 0.417 CB 1.040 13 residues pruned to eliminate duplicates Z: 8 9.254 1.670 0.763 0.781 0.714 0.714 CB 1.298 8 residues pruned to eliminate duplicates Z: 8 6.632 1.392 0.699 0.691 0.857 0.429 CB 1.038 8 residues pruned to eliminate duplicates Z: 7 5.529 1.364 0.656 0.622 0.833 0.500 N 1.068 7 residues pruned to eliminate duplicates Z: 13 5.189 1.367 0.435 0.460 0.750 0.333 CB 1.061 10 residues pruned to eliminate duplicates Z: 11 7.982 1.491 0.471 0.772 0.900 0.500 CB 1.005 11 residues pruned to eliminate duplicates Z: 6 3.054 1.537 0.584 0.441 0.800 0.400 CB 0.746 Z: 16 11.919 1.793 0.449 0.912 0.867 0.733 CB 0.968 16 residues pruned to eliminate duplicates Z: 15 7.997 1.772 0.612 0.577 0.786 0.643 CB 0.884 15 residues pruned to eliminate duplicates Z: 16 7.490 1.703 0.688 0.429 0.733 0.467 CB 0.987 16 residues pruned to eliminate duplicates Z: 12 7.525 1.818 0.423 0.579 0.727 0.364 CB 1.118 12 residues pruned to eliminate duplicates Z: 18 12.601 1.921 0.563 0.626 0.882 0.647 CB 1.025 18 residues pruned to eliminate duplicates Z: 18 10.383 1.849 0.515 0.576 0.765 0.647 CB 1.092 18 residues pruned to eliminate duplicates Z: 18 12.821 1.846 0.434 0.582 0.882 0.647 CB 1.231 18 residues pruned to eliminate duplicates Z: 17 14.799 1.913 0.655 0.663 1.000 0.688 CB 1.005 17 residues pruned to eliminate duplicates Z: 11 16.546 1.948 0.773 0.693 1.000 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 19 16.333 1.767 0.599 0.742 0.889 0.500 CB 1.234 19 residues pruned to eliminate duplicates Z: 22 15.255 1.844 0.569 0.684 0.857 0.571 CB 1.133 22 residues pruned to eliminate duplicates Z: 17 13.569 1.863 0.784 0.616 0.812 0.562 CB 1.125 17 residues pruned to eliminate duplicates Z: 12 17.984 1.962 0.590 0.855 0.909 0.636 CB 1.411 12 residues pruned to eliminate duplicates Z: 32 14.617 1.781 0.347 0.664 0.839 0.484 CB 1.121 32 residues pruned to eliminate duplicates Z: 6 3.702 1.667 0.058 0.600 0.800 0.600 O 1.066 Z: 8 8.759 1.776 0.131 0.884 1.000 1.000 CB 1.190 13 residues pruned to eliminate duplicates Z: 8 8.681 1.696 0.237 0.866 1.000 0.714 CB 1.145 8 residues pruned to eliminate duplicates Z: 8 9.498 1.790 0.291 0.843 1.000 0.857 CB 1.158 8 residues pruned to eliminate duplicates Z: 8 9.482 1.753 0.324 0.878 1.000 1.000 CB 1.121 8 residues pruned to eliminate duplicates Z: 9 8.205 1.655 0.353 0.778 1.000 0.750 CB 1.014 8 residues pruned to eliminate duplicates Z: 8 10.417 1.741 0.376 0.879 1.000 1.000 CB 1.192 8 residues pruned to eliminate duplicates Z: 19 7.650 1.691 0.245 0.354 0.833 0.278 CB 1.203 14 residues pruned to eliminate duplicates Z: 10 7.524 1.753 0.471 0.841 0.778 0.556 CB 0.932 10 residues pruned to eliminate duplicates Z: 16 5.017 1.632 0.542 0.312 0.667 0.400 CB 0.951 16 residues pruned to eliminate duplicates Z: 11 11.729 1.766 0.673 0.857 0.800 0.700 CB 1.157 15 residues pruned to eliminate duplicates Z: 8 8.114 1.785 0.561 0.858 0.857 0.714 CB 0.946 8 residues pruned to eliminate duplicates Z: 12 8.906 1.692 0.635 0.555 0.727 0.364 CB 1.266 12 residues pruned to eliminate duplicates Z: 6 3.974 1.791 0.330 0.592 1.000 0.600 CB 0.683 6 residues pruned to eliminate duplicates Z: 18 9.859 1.644 0.569 0.626 0.706 0.412 CB 1.166 12 residues pruned to eliminate duplicates Z: 14 10.853 1.689 0.732 0.838 0.923 0.692 CB 0.833 12 residues pruned to eliminate duplicates Z: 10 10.357 1.821 0.757 0.827 0.889 0.444 CB 0.914 10 residues pruned to eliminate duplicates Z: 11 9.561 1.793 0.510 0.690 0.900 0.800 CB 1.043 8 residues pruned to eliminate duplicates Z: 10 11.388 1.829 0.818 0.881 0.889 0.889 CB 0.930 10 residues pruned to eliminate duplicates Z: 26 11.725 1.727 0.563 0.487 0.800 0.520 CB 1.100 22 residues pruned to eliminate duplicates Z: 20 14.462 1.781 0.565 0.758 0.895 0.684 CB 1.058 21 residues pruned to eliminate duplicates Z: 20 12.907 1.751 0.510 0.706 0.842 0.368 CB 1.103 41 residues pruned to eliminate duplicates Z: 9 5.725 1.572 0.787 0.634 0.625 0.375 N 1.017 9 residues pruned to eliminate duplicates Z: 27 9.974 1.716 0.581 0.535 0.654 0.500 CB 1.065 28 residues pruned to eliminate duplicates Z: 10 13.731 1.731 0.799 0.852 0.778 0.556 N 1.398 10 residues pruned to eliminate duplicates Z: 18 9.421 1.774 0.832 0.424 0.647 0.412 CB 1.176 21 residues pruned to eliminate duplicates Z: 10 9.992 1.640 0.741 0.611 0.778 0.222 CB 1.350 10 residues pruned to eliminate duplicates Z: 20 14.090 1.850 0.797 0.503 0.737 0.368 CB 1.317 27 residues pruned to eliminate duplicates Z: 11 9.694 1.561 0.490 0.837 0.900 0.900 CB 1.096 10 residues pruned to eliminate duplicates Z: 9 8.805 1.702 0.482 0.768 0.875 0.875 CB 1.112 8 residues pruned to eliminate duplicates Z: 11 11.546 1.736 0.548 0.841 0.900 0.600 CB 1.126 11 residues pruned to eliminate duplicates Z: 12 10.744 1.738 0.512 0.761 0.909 0.818 CB 1.075 12 residues pruned to eliminate duplicates Z: 11 9.617 1.845 0.381 0.589 0.900 0.600 CB 1.218 11 residues pruned to eliminate duplicates Z: 11 12.879 1.779 0.576 0.639 1.000 0.800 CB 1.275 15 residues pruned to eliminate duplicates Z: 11 13.403 1.759 0.638 0.798 0.900 0.600 CB 1.258 12 residues pruned to eliminate duplicates Z: 11 11.393 1.793 0.557 0.810 0.900 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 9 4.372 1.634 0.633 0.141 0.750 0.375 N 1.205 4 residues pruned to eliminate duplicates Z: 13 11.996 1.803 0.468 0.656 0.917 0.750 CB 1.234 13 residues pruned to eliminate duplicates Z: 19 9.108 1.672 0.363 0.457 0.833 0.611 CB 1.182 15 residues pruned to eliminate duplicates Z: 11 10.195 1.773 0.675 0.577 0.700 0.600 CB 1.440 8 residues pruned to eliminate duplicates Z: 8 9.239 1.847 0.271 0.636 0.857 0.571 CB 1.528 8 residues pruned to eliminate duplicates Z: 16 13.426 1.809 0.542 0.467 0.933 0.400 CB 1.377 10 residues pruned to eliminate duplicates Z: 6 13.366 2.047 0.376 0.804 1.000 0.800 CB 1.628 8 residues pruned to eliminate duplicates Z: 6 10.602 2.082 0.512 0.735 0.800 0.800 CB 1.524 6 residues pruned to eliminate duplicates Z: 6 11.849 2.043 0.681 0.758 0.800 0.800 CB 1.533 6 residues pruned to eliminate duplicates Z: 8 11.366 1.963 0.586 0.686 0.714 0.714 CB 1.629 7 residues pruned to eliminate duplicates Z: 8 7.442 1.903 0.576 0.592 0.571 0.571 CB 1.503 8 residues pruned to eliminate duplicates Z: 18 14.107 1.948 0.760 0.414 0.824 0.471 CB 1.326 33 residues pruned to eliminate duplicates Z: 6 4.842 1.437 0.590 0.379 1.000 0.200 CA 1.079 6 residues pruned to eliminate duplicates Z: 19 13.591 1.779 0.819 0.411 0.889 0.500 CB 1.222 19 residues pruned to eliminate duplicates Z: 9 11.362 1.973 0.839 0.383 1.000 0.625 CB 1.254 9 residues pruned to eliminate duplicates Z: 9 8.450 1.813 0.745 0.356 0.875 0.375 CB 1.261 9 residues pruned to eliminate duplicates Z: 20 9.477 1.724 0.696 0.284 0.737 0.526 CB 1.287 13 residues pruned to eliminate duplicates Z: 8 3.687 1.330 0.218 0.821 1.000 0.714 CB 0.651 7 residues pruned to eliminate duplicates Z: 6 3.557 1.580 0.316 0.747 0.800 0.800 CB 0.767 6 residues pruned to eliminate duplicates Z: 12 6.763 1.561 0.458 0.490 0.818 0.273 CB 1.106 8 residues pruned to eliminate duplicates Z: 10 8.005 1.435 0.636 0.836 1.000 0.556 CB 0.850 13 residues pruned to eliminate duplicates Z: 9 8.806 1.426 0.809 0.846 0.875 0.750 CB 1.025 9 residues pruned to eliminate duplicates Z: 11 5.144 1.482 0.268 0.394 0.900 0.200 N 1.077 11 residues pruned to eliminate duplicates Z: 12 6.915 1.571 0.402 0.458 0.818 0.455 CB 1.207 12 residues pruned to eliminate duplicates Z: 12 6.511 1.600 0.392 0.479 0.727 0.364 CB 1.239 12 residues pruned to eliminate duplicates Z: 9 7.881 1.465 0.869 0.725 0.750 0.750 N 1.107 9 residues pruned to eliminate duplicates Z: 15 6.223 1.576 0.524 0.416 0.714 0.357 CB 1.058 15 residues pruned to eliminate duplicates Z: 17 5.526 1.582 0.612 0.312 0.562 0.312 CB 1.186 17 residues pruned to eliminate duplicates Z: 24 8.233 1.527 0.471 0.325 0.739 0.261 N 1.254 13 residues pruned to eliminate duplicates Z: 13 9.799 1.728 0.265 0.794 1.000 0.750 CB 0.999 23 residues pruned to eliminate duplicates Z: 17 7.336 1.575 0.441 0.489 0.688 0.375 CB 1.188 17 residues pruned to eliminate duplicates Z: 15 3.618 1.511 0.303 0.248 0.571 0.429 CB 1.150 15 residues pruned to eliminate duplicates Z: 13 7.935 1.669 0.301 0.437 0.917 0.250 CB 1.228 13 residues pruned to eliminate duplicates Z: 17 8.656 1.684 0.209 0.569 0.875 0.562 CB 1.136 13 residues pruned to eliminate duplicates Z: 13 10.633 1.726 0.179 0.857 1.000 0.667 CB 1.112 13 residues pruned to eliminate duplicates Z: 15 9.223 1.656 0.489 0.686 0.786 0.500 CB 1.072 15 residues pruned to eliminate duplicates Z: 7 3.624 1.692 0.485 0.452 0.500 0.333 O 1.238 7 residues pruned to eliminate duplicates Z: 15 8.486 1.707 0.563 0.644 0.786 0.500 CB 0.946 15 residues pruned to eliminate duplicates Z: 30 10.871 1.614 0.503 0.484 0.828 0.517 CB 1.022 30 residues pruned to eliminate duplicates Z: 14 8.347 1.637 0.636 0.503 0.846 0.538 CB 1.019 13 residues pruned to eliminate duplicates Z: 15 9.091 1.635 0.626 0.682 0.714 0.571 CB 1.082 18 residues pruned to eliminate duplicates Z: 23 16.140 1.612 0.508 0.740 1.000 0.591 CB 1.142 27 residues pruned to eliminate duplicates Z: 18 7.741 1.561 0.436 0.469 0.706 0.471 N 1.224 15 residues pruned to eliminate duplicates Z: 9 8.981 1.691 0.548 0.739 0.875 0.375 CB 1.119 7 residues pruned to eliminate duplicates Z: 13 9.854 1.610 0.384 0.760 0.917 0.583 CB 1.105 13 residues pruned to eliminate duplicates Z: 15 7.393 1.554 0.460 0.472 0.929 0.500 CB 0.966 13 residues pruned to eliminate duplicates Z: 13 12.934 1.567 0.694 0.855 1.000 0.750 CB 1.038 12 residues pruned to eliminate duplicates Z: 10 8.705 1.596 0.494 0.863 0.889 0.778 CB 1.004 10 residues pruned to eliminate duplicates Z: 13 7.214 1.623 0.354 0.507 0.917 0.417 CB 1.027 13 residues pruned to eliminate duplicates Z: 8 9.712 1.671 0.847 0.814 1.000 0.714 CB 0.905 8 residues pruned to eliminate duplicates Z: 14 8.263 1.475 0.452 0.533 0.923 0.538 CB 1.123 14 residues pruned to eliminate duplicates Z: 10 7.200 1.592 0.490 0.745 0.889 0.444 CB 0.914 10 residues pruned to eliminate duplicates Z: 14 6.962 1.537 0.352 0.500 0.846 0.615 N 1.098 14 residues pruned to eliminate duplicates Z: 11 12.645 1.612 0.624 0.863 1.000 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 17 11.091 1.578 0.638 0.609 0.938 0.500 CB 1.032 17 residues pruned to eliminate duplicates Z: 13 11.269 1.548 0.611 0.893 0.917 0.750 CB 1.021 13 residues pruned to eliminate duplicates Z: 12 11.263 1.598 0.524 0.861 1.000 0.818 CB 1.024 12 residues pruned to eliminate duplicates Z: 10 7.264 1.732 0.444 0.250 1.000 0.556 N 1.290 11 residues pruned to eliminate duplicates Z: 17 14.787 1.658 0.576 0.752 1.000 0.750 CB 1.130 18 residues pruned to eliminate duplicates Z: 15 13.428 1.679 0.454 0.750 1.000 0.714 CB 1.177 15 residues pruned to eliminate duplicates Z: 9 8.897 1.818 0.453 0.383 1.000 0.750 CB 1.348 9 residues pruned to eliminate duplicates Z: 10 9.868 1.696 0.435 0.809 1.000 0.889 CB 1.032 10 residues pruned to eliminate duplicates Z: 10 11.297 1.791 0.586 0.499 0.889 0.667 CB 1.493 10 residues pruned to eliminate duplicates Z: 18 17.669 1.726 0.595 0.686 1.000 0.765 CB 1.313 18 residues pruned to eliminate duplicates Z: 15 17.404 1.675 0.632 0.906 1.000 1.000 CB 1.211 14 residues pruned to eliminate duplicates Z: 14 13.684 1.685 0.391 0.911 1.000 0.769 CB 1.148 14 residues pruned to eliminate duplicates Z: 17 16.137 1.749 0.583 0.619 1.000 0.875 CB 1.302 17 residues pruned to eliminate duplicates Z: 6 6.634 1.596 0.421 0.858 1.000 0.800 O 0.962 6 residues pruned to eliminate duplicates Z: 18 15.248 1.722 0.547 0.590 0.941 0.824 CB 1.353 18 residues pruned to eliminate duplicates Z: 7 5.530 1.609 0.564 0.558 0.833 0.833 O 1.018 7 residues pruned to eliminate duplicates Z: 6 5.062 1.557 0.984 0.843 0.800 0.600 CB 0.682 6 residues pruned to eliminate duplicates Z: 15 5.527 1.634 0.258 0.488 0.786 0.500 CB 0.926 15 residues pruned to eliminate duplicates Z: 11 5.959 1.602 0.344 0.502 0.800 0.600 CB 1.092 11 residues pruned to eliminate duplicates Z: 11 7.779 1.555 0.451 0.543 1.000 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 14 8.877 1.670 0.327 0.660 0.846 0.538 CB 1.131 14 residues pruned to eliminate duplicates Z: 15 11.073 1.667 0.626 0.845 0.929 0.714 CB 0.874 15 residues pruned to eliminate duplicates Z: 13 14.676 1.761 0.481 0.887 1.000 0.667 CB 1.171 13 residues pruned to eliminate duplicates Z: 16 12.221 1.714 0.337 0.882 1.000 0.733 CB 0.996 16 residues pruned to eliminate duplicates Z: 8 11.489 1.818 0.538 0.898 1.000 1.000 CB 1.111 8 residues pruned to eliminate duplicates Z: 7 11.952 1.938 0.722 0.621 1.000 0.500 CB 1.305 7 residues pruned to eliminate duplicates Z: 10 12.548 1.746 0.711 0.888 1.000 0.889 CB 1.008 9 residues pruned to eliminate duplicates Z: 12 9.060 1.695 0.713 0.900 0.909 0.727 CB 0.739 12 residues pruned to eliminate duplicates Z: 9 10.357 1.781 0.526 0.766 1.000 0.625 CB 1.064 9 residues pruned to eliminate duplicates Z: 9 9.205 1.755 0.568 0.700 0.875 0.625 CB 1.126 9 residues pruned to eliminate duplicates Z: 8 11.877 1.813 0.681 0.755 1.000 0.571 CB 1.174 8 residues pruned to eliminate duplicates Z: 11 4.469 1.765 0.666 0.218 0.500 0.200 CB 1.339 Z: 14 11.661 1.534 0.753 0.641 0.923 0.538 N 1.142 18 residues pruned to eliminate duplicates Z: 10 6.434 1.498 0.586 0.471 0.889 0.444 CB 1.046 10 residues pruned to eliminate duplicates Z: 19 9.618 1.684 0.512 0.456 0.778 0.444 CB 1.197 19 residues pruned to eliminate duplicates Z: 12 11.726 1.766 0.609 0.551 0.818 0.273 O 1.447 12 residues pruned to eliminate duplicates Z: 10 7.638 1.612 0.613 0.652 0.778 0.667 O 1.092 10 residues pruned to eliminate duplicates Z: 12 14.125 1.765 1.003 0.536 0.818 0.545 O 1.421 12 residues pruned to eliminate duplicates Z: 8 11.293 1.712 0.604 0.840 0.857 0.714 O 1.353 8 residues pruned to eliminate duplicates Z: 12 9.024 1.667 0.789 0.614 0.727 0.455 CB 1.126 12 residues pruned to eliminate duplicates Z: 11 6.586 1.451 0.497 0.603 0.800 0.600 CB 1.086 8 residues pruned to eliminate duplicates Z: 12 11.215 1.600 0.632 0.818 0.909 0.636 CB 1.080 12 residues pruned to eliminate duplicates Z: 10 15.015 1.660 0.661 0.901 1.000 0.889 O 1.295 10 residues pruned to eliminate duplicates Z: 17 9.793 1.581 0.550 0.595 0.875 0.562 CB 1.043 16 residues pruned to eliminate duplicates Z: 10 14.427 1.666 0.805 0.867 1.000 0.778 CB 1.169 10 residues pruned to eliminate duplicates Z: 13 14.250 1.590 0.820 0.741 1.000 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 12 10.915 1.627 0.792 0.801 0.818 0.636 CB 1.060 12 residues pruned to eliminate duplicates Z: 11 4.893 1.436 0.616 0.363 0.700 0.400 N 1.103 11 residues pruned to eliminate duplicates Z: 11 9.657 1.625 0.694 0.719 0.900 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 14 10.753 1.549 0.583 0.728 0.923 0.615 CB 1.073 14 residues pruned to eliminate duplicates Z: 7 3.336 1.716 0.215 0.554 0.667 0.500 CB 0.929 6 residues pruned to eliminate duplicates Z: 14 7.609 1.523 0.185 0.827 1.000 0.769 CB 0.881 14 residues pruned to eliminate duplicates Z: 10 5.399 1.427 0.554 0.792 0.889 0.556 CB 0.707 10 residues pruned to eliminate duplicates Z: 8 5.743 1.537 0.546 0.725 0.714 0.429 CB 1.044 10 residues pruned to eliminate duplicates Z: 14 12.280 1.570 0.497 0.848 1.000 0.923 CB 1.075 13 residues pruned to eliminate duplicates Z: 11 7.703 1.527 0.635 0.731 0.900 0.700 CB 0.881 11 residues pruned to eliminate duplicates Z: 10 9.355 1.509 0.492 0.882 1.000 1.000 CB 1.002 10 residues pruned to eliminate duplicates Z: 9 8.959 1.595 0.438 0.844 0.875 0.625 CB 1.174 9 residues pruned to eliminate duplicates Z: 10 9.070 1.485 0.669 0.654 1.000 0.556 CB 1.056 10 residues pruned to eliminate duplicates Z: 11 10.993 1.469 0.995 0.780 0.900 0.600 CB 1.029 11 residues pruned to eliminate duplicates Z: 21 9.321 1.778 0.263 0.432 0.900 0.500 CB 1.106 21 residues pruned to eliminate duplicates 6 1.470 1.462 0.330 0.121 0.600 0.400 CB 0.907 ? Z: 6 7.320 1.537 0.516 0.670 1.000 0.800 CB 1.201 6 residues pruned to eliminate duplicates Z: 27 11.367 1.826 0.421 0.302 0.846 0.423 CB 1.266 27 residues pruned to eliminate duplicates Z: 17 9.040 1.848 0.279 0.340 0.875 0.500 CB 1.301 17 residues pruned to eliminate duplicates Z: 12 7.897 1.807 0.145 0.307 1.000 0.636 CB 1.426 12 residues pruned to eliminate duplicates Z: 31 9.143 1.711 0.503 0.325 0.733 0.400 CB 1.074 31 residues pruned to eliminate duplicates Z: 53 13.937 1.741 0.552 0.289 0.712 0.462 CB 1.275 58 residues pruned to eliminate duplicates Z: 19 14.790 1.814 0.662 0.594 0.833 0.444 CB 1.269 19 residues pruned to eliminate duplicates Z: 17 11.709 1.918 0.367 0.371 0.875 0.500 CB 1.465 17 residues pruned to eliminate duplicates Z: 19 10.161 1.853 0.310 0.330 0.833 0.333 CB 1.427 19 residues pruned to eliminate duplicates Z: 20 10.845 1.793 0.487 0.367 0.842 0.368 CB 1.278 20 residues pruned to eliminate duplicates Z: 7 2.544 1.810 -0.089 0.340 0.667 0.167 CB 1.124 7 residues pruned to eliminate duplicates Z: 21 7.962 1.792 0.235 0.304 0.850 0.350 CB 1.177 21 residues pruned to eliminate duplicates Z: 17 10.689 1.825 0.521 0.579 0.750 0.562 CB 1.189 17 residues pruned to eliminate duplicates Z: 15 9.909 1.882 0.390 0.583 0.714 0.357 CB 1.309 15 residues pruned to eliminate duplicates Z: 9 9.346 1.913 0.790 0.777 0.750 0.625 CB 1.008 9 residues pruned to eliminate duplicates Z: 9 10.999 1.858 0.763 0.702 0.875 0.625 CB 1.129 8 residues pruned to eliminate duplicates Z: 8 11.108 1.897 0.845 0.848 1.000 1.000 CB 0.890 7 residues pruned to eliminate duplicates Z: 12 11.168 1.804 0.756 0.835 0.909 0.636 CB 0.876 12 residues pruned to eliminate duplicates Z: 8 10.940 1.883 0.873 0.883 1.000 1.000 CB 0.848 8 residues pruned to eliminate duplicates Z: 35 16.100 1.833 0.545 0.525 0.824 0.588 CB 1.155 33 residues pruned to eliminate duplicates Z: 14 10.410 1.622 0.837 0.790 0.846 0.385 CB 0.888 14 residues pruned to eliminate duplicates Z: 10 11.526 1.759 0.788 0.791 1.000 0.778 CB 0.946 10 residues pruned to eliminate duplicates Z: 10 8.410 1.813 0.813 0.687 0.889 0.444 CB 0.808 10 residues pruned to eliminate duplicates Z: 14 8.952 1.833 1.001 0.434 0.769 0.538 CB 0.943 15 residues pruned to eliminate duplicates Z: 17 23.621 1.946 0.825 0.748 0.938 0.750 CB 1.422 17 residues pruned to eliminate duplicates Z: 14 13.384 1.894 0.996 0.593 0.923 0.692 CB 0.973 14 residues pruned to eliminate duplicates Z: 11 6.366 1.715 0.581 0.597 0.800 0.500 CB 0.846 11 residues pruned to eliminate duplicates Z: 14 15.625 1.882 0.976 0.649 0.846 0.615 CB 1.198 14 residues pruned to eliminate duplicates Z: 22 19.133 1.956 0.802 0.638 0.762 0.524 CB 1.366 22 residues pruned to eliminate duplicates Z: 14 20.362 1.912 0.955 0.626 1.000 0.538 CB 1.341 14 residues pruned to eliminate duplicates Z: 19 19.207 1.911 0.828 0.672 0.889 0.500 CB 1.244 19 residues pruned to eliminate duplicates Z: 17 24.083 1.872 1.075 0.710 0.938 0.625 CB 1.366 17 residues pruned to eliminate duplicates Z: 28 17.624 1.877 0.661 0.611 0.926 0.556 CB 1.057 28 residues pruned to eliminate duplicates Z: 17 23.328 1.926 0.867 0.699 0.938 0.562 CB 1.443 17 residues pruned to eliminate duplicates Z: 15 19.017 1.967 0.949 0.757 0.857 0.571 CB 1.231 15 residues pruned to eliminate duplicates Z: 16 21.393 1.975 0.890 0.803 0.933 0.533 CB 1.217 16 residues pruned to eliminate duplicates Z: 17 23.245 1.943 1.061 0.676 1.000 0.438 CB 1.234 17 residues pruned to eliminate duplicates Z: 20 17.779 1.881 0.779 0.622 0.895 0.421 CB 1.214 20 residues pruned to eliminate duplicates Z: 49 21.126 1.876 0.699 0.517 0.750 0.396 CB 1.254 49 residues pruned to eliminate duplicates Z: 22 18.955 1.944 0.835 0.623 0.857 0.429 CB 1.205 22 residues pruned to eliminate duplicates Z: 9 6.618 1.951 0.542 0.408 0.750 0.250 CB 1.141 11 residues pruned to eliminate duplicates Z: 7 5.328 1.518 0.552 0.288 0.833 0.667 N 1.407 7 residues pruned to eliminate duplicates Z: 7 5.047 2.072 0.223 0.217 0.833 0.500 CB 1.361 7 residues pruned to eliminate duplicates Z: 24 16.188 1.935 0.803 0.497 0.826 0.261 CB 1.174 24 residues pruned to eliminate duplicates Z: 28 18.655 1.977 0.645 0.574 0.815 0.630 CB 1.261 28 residues pruned to eliminate duplicates Z: 44 19.011 1.910 0.534 0.502 0.814 0.488 CB 1.214 44 residues pruned to eliminate duplicates Z: 9 5.507 1.993 0.165 0.235 0.875 0.500 CB 1.303 9 residues pruned to eliminate duplicates Z: 10 6.002 1.978 0.154 0.297 0.889 0.111 CB 1.237 10 residues pruned to eliminate duplicates Z: 21 7.095 1.853 0.257 0.344 0.650 0.400 CB 1.242 21 residues pruned to eliminate duplicates Z: 16 13.658 1.729 0.471 0.836 1.000 0.800 CB 1.038 16 residues pruned to eliminate duplicates Z: 39 19.180 1.885 0.622 0.518 0.816 0.395 CB 1.226 39 residues pruned to eliminate duplicates Z: 48 23.717 1.897 0.652 0.560 0.851 0.383 CB 1.224 48 residues pruned to eliminate duplicates Z: 9 8.211 1.789 0.513 0.731 0.750 0.625 CB 1.161 9 residues pruned to eliminate duplicates Z: 7 7.768 1.755 0.639 0.691 0.833 0.500 N 1.111 7 residues pruned to eliminate duplicates Z: 15 12.625 1.797 0.434 0.681 0.929 0.714 CB 1.194 15 residues pruned to eliminate duplicates Z: 12 6.672 1.672 0.622 0.513 0.545 0.091 CB 1.343 12 residues pruned to eliminate duplicates Z: 13 8.218 1.750 0.354 0.679 0.750 0.417 CB 1.132 13 residues pruned to eliminate duplicates Z: 19 13.584 1.853 0.416 0.514 0.889 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 13 13.488 1.746 0.568 0.803 0.833 0.500 CB 1.310 13 residues pruned to eliminate duplicates Z: 14 12.345 1.770 0.429 0.792 0.923 0.692 CB 1.135 14 residues pruned to eliminate duplicates Z: 14 13.225 1.800 0.538 0.776 0.923 0.538 CB 1.124 14 residues pruned to eliminate duplicates Z: 6 5.374 1.617 0.422 0.687 1.000 0.800 CB 0.881 6 residues pruned to eliminate duplicates Z: 6 5.048 1.621 0.341 0.695 1.000 0.800 CB 0.869 6 residues pruned to eliminate duplicates Z: 14 14.160 1.777 0.495 0.869 1.000 0.615 CB 1.080 14 residues pruned to eliminate duplicates Z: 7 4.248 1.583 0.610 0.498 0.667 0.500 CB 1.023 7 residues pruned to eliminate duplicates Z: 18 9.618 1.838 0.219 0.483 0.765 0.529 CB 1.384 18 residues pruned to eliminate duplicates Z: 18 10.095 1.790 0.399 0.345 0.882 0.412 CB 1.311 18 residues pruned to eliminate duplicates Z: 11 13.647 1.800 0.598 0.736 1.000 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 13 10.489 1.727 0.740 0.416 0.833 0.417 N 1.319 13 residues pruned to eliminate duplicates Z: 9 11.709 1.767 0.787 0.820 1.000 0.625 CB 0.993 Z: 8 15.619 1.899 0.622 0.795 1.000 0.714 CB 1.481 9 residues pruned to eliminate duplicates Z: 7 9.654 1.664 0.742 0.699 1.000 0.333 CB 1.134 7 residues pruned to eliminate duplicates Z: 6 8.164 1.901 0.809 0.418 0.800 0.200 CB 1.446 4 residues pruned to eliminate duplicates Z: 9 12.465 1.905 0.308 0.848 1.000 0.750 CB 1.311 19 residues pruned to eliminate duplicates Z: 21 10.443 1.785 0.397 0.502 0.800 0.600 CB 1.169 20 residues pruned to eliminate duplicates Z: 20 12.763 1.789 0.408 0.680 0.842 0.632 CB 1.170 20 residues pruned to eliminate duplicates Z: 17 6.011 1.762 0.257 0.344 0.625 0.250 CB 1.286 17 residues pruned to eliminate duplicates Z: 23 12.588 1.811 0.461 0.580 0.773 0.273 CB 1.216 27 residues pruned to eliminate duplicates Z: 11 8.848 1.696 0.277 0.723 0.900 0.300 CB 1.174 11 residues pruned to eliminate duplicates Z: 19 11.350 1.798 0.426 0.535 0.722 0.611 CB 1.396 19 residues pruned to eliminate duplicates Z: 21 12.077 1.850 0.341 0.579 0.800 0.700 CB 1.261 21 residues pruned to eliminate duplicates Z: 9 6.716 1.798 0.228 0.449 0.875 0.375 CB 1.296 9 residues pruned to eliminate duplicates Z: 26 12.214 1.726 0.546 0.391 0.840 0.560 CB 1.223 33 residues pruned to eliminate duplicates Z: 20 10.535 1.749 0.520 0.472 0.842 0.263 CB 1.110 20 residues pruned to eliminate duplicates Z: 23 11.129 1.761 0.394 0.367 0.818 0.364 CB 1.363 33 residues pruned to eliminate duplicates Z: 19 10.620 1.723 0.350 0.344 0.889 0.278 CB 1.435 19 residues pruned to eliminate duplicates Z: 24 10.483 1.693 0.720 0.426 0.739 0.261 CB 1.097 24 residues pruned to eliminate duplicates Z: 19 7.380 1.652 0.247 0.415 0.778 0.556 CB 1.187 19 residues pruned to eliminate duplicates Z: 20 12.963 1.709 0.775 0.389 0.895 0.526 CB 1.233 20 residues pruned to eliminate duplicates Z: 11 7.932 1.586 0.792 0.470 0.800 0.500 O 1.137 11 residues pruned to eliminate duplicates Z: 14 9.904 1.689 0.731 0.428 0.769 0.308 CB 1.317 14 residues pruned to eliminate duplicates Z: 18 11.195 1.771 0.505 0.453 0.824 0.412 CB 1.299 18 residues pruned to eliminate duplicates Z: 23 11.169 1.698 0.657 0.388 0.773 0.409 CB 1.233 23 residues pruned to eliminate duplicates Z: 21 15.845 1.756 0.413 0.512 1.000 0.500 N 1.412 21 residues pruned to eliminate duplicates Z: 10 8.165 1.708 0.534 0.445 0.778 0.222 CB 1.413 10 residues pruned to eliminate duplicates Z: 20 13.800 1.789 0.440 0.523 0.842 0.474 CB 1.426 20 residues pruned to eliminate duplicates Z: 19 11.281 1.791 0.293 0.388 0.833 0.389 N 1.552 19 residues pruned to eliminate duplicates Z: 31 16.079 1.770 0.432 0.446 0.900 0.433 CB 1.361 31 residues pruned to eliminate duplicates Z: 37 16.304 1.756 0.437 0.451 0.889 0.444 CB 1.274 39 residues pruned to eliminate duplicates Z: 6 4.404 1.611 0.511 0.402 0.800 0.600 CB 1.122 6 residues pruned to eliminate duplicates Z: 16 11.872 1.765 0.507 0.495 0.800 0.467 N 1.448 16 residues pruned to eliminate duplicates Z: 6 2.112 1.353 0.367 0.307 0.800 0.400 N 0.791 6 residues pruned to eliminate duplicates Z: 10 7.450 1.701 0.192 0.531 0.889 0.778 CB 1.336 10 residues pruned to eliminate duplicates Z: 11 7.003 1.671 0.264 0.516 0.900 0.600 CB 1.146 8 residues pruned to eliminate duplicates Z: 12 11.011 1.625 0.466 0.788 0.909 0.364 CB 1.190 12 residues pruned to eliminate duplicates Z: 11 7.726 1.568 0.322 0.836 0.800 0.600 CB 1.103 10 residues pruned to eliminate duplicates Z: 11 11.854 1.622 0.654 0.825 0.900 0.600 CB 1.172 11 residues pruned to eliminate duplicates Z: 10 11.323 1.664 0.813 0.819 0.889 0.444 CB 1.066 10 residues pruned to eliminate duplicates Z: 12 11.478 1.613 0.739 0.859 0.909 0.636 CB 0.998 12 residues pruned to eliminate duplicates Z: 11 11.723 1.701 0.537 0.850 0.900 0.600 CB 1.167 12 residues pruned to eliminate duplicates Z: 11 11.106 1.688 0.624 0.833 0.800 0.700 CB 1.201 11 residues pruned to eliminate duplicates Z: 13 12.231 1.646 0.464 0.840 0.917 0.833 CB 1.192 12 residues pruned to eliminate duplicates Z: 11 11.504 1.689 0.520 0.848 0.900 0.800 CB 1.168 11 residues pruned to eliminate duplicates Z: 11 11.037 1.683 0.506 0.809 0.900 0.700 CB 1.169 11 residues pruned to eliminate duplicates Z: 7 4.939 1.613 0.234 0.450 0.833 0.167 N 1.280 7 residues pruned to eliminate duplicates Z: 9 5.530 1.525 0.623 0.449 0.750 0.375 N 1.110 9 residues pruned to eliminate duplicates Z: 9 5.993 1.466 0.540 0.468 0.875 0.500 O 1.108 9 residues pruned to eliminate duplicates Z: 14 7.998 1.449 0.582 0.492 0.846 0.385 CB 1.152 15 residues pruned to eliminate duplicates Z: 11 8.352 1.491 0.417 0.720 0.900 0.600 O 1.138 14 residues pruned to eliminate duplicates Z: 11 8.266 1.406 0.653 0.745 0.800 0.500 O 1.130 11 residues pruned to eliminate duplicates Z: 8 7.477 1.565 0.312 0.756 0.857 0.429 O 1.279 8 residues pruned to eliminate duplicates Z: 10 7.869 1.750 0.387 0.474 0.889 0.556 CB 1.248 10 residues pruned to eliminate duplicates Z: 7 5.591 1.672 0.250 0.388 1.000 0.667 O 1.230 6 residues pruned to eliminate duplicates Z: 9 10.362 1.632 0.716 0.879 0.875 0.750 CB 1.084 8 residues pruned to eliminate duplicates Z: 10 9.817 1.642 0.489 0.799 0.889 0.778 CB 1.159 10 residues pruned to eliminate duplicates Z: 9 9.217 1.649 0.674 0.776 0.875 0.750 CB 1.057 9 residues pruned to eliminate duplicates Z: 9 10.474 1.710 0.611 0.773 0.875 0.875 CB 1.206 8 residues pruned to eliminate duplicates Z: 8 12.259 1.769 0.662 0.896 1.000 0.857 CB 1.129 8 residues pruned to eliminate duplicates Z: 11 9.994 1.541 0.557 0.691 0.900 0.700 CB 1.228 10 residues pruned to eliminate duplicates Z: 10 10.938 1.615 0.666 0.910 1.000 0.778 CB 0.961 9 residues pruned to eliminate duplicates Z: 9 9.508 1.659 0.512 0.869 0.875 0.750 CB 1.119 9 residues pruned to eliminate duplicates Z: 15 10.382 1.676 0.325 0.729 0.857 0.571 CB 1.186 14 residues pruned to eliminate duplicates Z: 12 7.958 1.799 0.051 0.862 0.909 0.818 CB 1.025 12 residues pruned to eliminate duplicates Z: 14 13.354 1.834 0.531 0.655 0.846 0.462 CB 1.349 14 residues pruned to eliminate duplicates Z: 13 16.220 1.886 0.652 0.681 1.000 0.500 CB 1.272 13 residues pruned to eliminate duplicates Z: 11 9.240 1.947 0.563 0.476 0.800 0.500 CB 1.229 11 residues pruned to eliminate duplicates Z: 17 8.889 1.811 0.310 0.407 0.812 0.500 CB 1.272 17 residues pruned to eliminate duplicates Z: 14 11.244 1.876 0.634 0.525 0.769 0.308 CB 1.291 14 residues pruned to eliminate duplicates Z: 11 11.718 1.973 0.498 0.565 0.900 0.400 CB 1.309 11 residues pruned to eliminate duplicates Z: 14 8.902 1.832 0.440 0.581 0.846 0.538 CB 1.023 14 residues pruned to eliminate duplicates Z: 21 13.615 1.829 0.475 0.528 0.900 0.500 CB 1.220 27 residues pruned to eliminate duplicates Z: 33 13.861 1.715 0.536 0.469 0.875 0.531 CB 1.097 30 residues pruned to eliminate duplicates Z: 6 3.013 1.420 0.527 0.349 1.000 0.600 N 0.732 Z: 6 5.354 1.632 0.396 0.433 1.000 0.600 CB 1.127 6 residues pruned to eliminate duplicates Z: 24 12.756 1.813 0.371 0.497 0.913 0.609 CB 1.176 30 residues pruned to eliminate duplicates Z: 16 11.971 1.869 0.477 0.544 0.867 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 26 11.687 1.778 0.568 0.455 0.800 0.440 CB 1.098 26 residues pruned to eliminate duplicates Z: 13 7.864 1.759 0.508 0.657 0.750 0.500 CB 0.986 13 residues pruned to eliminate duplicates Z: 29 20.687 1.851 0.626 0.658 0.929 0.536 CB 1.208 29 residues pruned to eliminate duplicates Z: 15 19.751 1.871 0.876 0.783 0.857 0.786 CB 1.367 15 residues pruned to eliminate duplicates Z: 26 19.821 1.899 0.399 0.670 0.960 0.720 CB 1.328 26 residues pruned to eliminate duplicates Z: 23 19.079 1.848 0.645 0.699 0.773 0.591 CB 1.445 23 residues pruned to eliminate duplicates Z: 19 21.354 1.875 0.872 0.792 0.778 0.556 CB 1.427 19 residues pruned to eliminate duplicates Z: 15 10.082 1.791 1.037 0.641 0.714 0.429 CB 0.906 15 residues pruned to eliminate duplicates Z: 12 13.962 1.827 1.141 0.788 0.727 0.364 N 1.148 12 residues pruned to eliminate duplicates Z: 19 13.004 1.800 0.498 0.497 0.889 0.444 CB 1.282 19 residues pruned to eliminate duplicates Z: 18 12.623 1.826 0.320 0.548 0.882 0.588 CB 1.375 18 residues pruned to eliminate duplicates Z: 28 16.695 1.872 0.602 0.638 0.741 0.444 CB 1.271 28 residues pruned to eliminate duplicates Z: 31 19.983 1.829 0.541 0.601 0.933 0.633 CB 1.260 31 residues pruned to eliminate duplicates Z: 14 7.509 1.815 0.174 0.457 0.846 0.615 CB 1.206 14 residues pruned to eliminate duplicates Z: 16 12.427 1.825 0.550 0.490 0.867 0.467 CB 1.321 16 residues pruned to eliminate duplicates Z: 33 16.036 1.733 0.476 0.509 0.812 0.562 CB 1.352 28 residues pruned to eliminate duplicates Z: 6 4.036 1.720 -0.140 0.583 0.800 0.000 CB 1.409 6 residues pruned to eliminate duplicates Z: 10 6.949 1.701 0.462 0.446 0.778 0.444 N 1.266 10 residues pruned to eliminate duplicates Z: 10 7.930 1.746 0.371 0.524 0.778 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 9 4.988 1.665 0.688 0.313 0.625 0.500 N 1.235 9 residues pruned to eliminate duplicates Z: 12 8.401 1.692 0.611 0.453 0.818 0.364 N 1.192 12 residues pruned to eliminate duplicates Z: 10 4.261 1.646 0.529 0.512 0.556 0.222 N 1.004 10 residues pruned to eliminate duplicates Z: 20 22.401 1.854 0.883 0.732 0.842 0.684 CB 1.420 20 residues pruned to eliminate duplicates Z: 10 9.818 1.768 0.320 0.559 1.000 0.778 CB 1.325 10 residues pruned to eliminate duplicates Z: 12 7.213 1.745 0.169 0.560 0.909 0.636 CB 1.106 12 residues pruned to eliminate duplicates Z: 8 8.643 1.806 0.255 0.882 1.000 1.000 CB 1.044 8 residues pruned to eliminate duplicates Z: 10 10.487 1.812 0.318 0.733 1.000 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 10 6.239 1.733 0.243 0.697 1.000 1.000 CB 0.806 9 residues pruned to eliminate duplicates Z: 8 10.084 1.840 0.483 0.883 1.000 1.000 CB 1.010 10 residues pruned to eliminate duplicates Z: 9 9.150 1.824 0.204 0.843 1.000 0.875 CB 1.097 8 residues pruned to eliminate duplicates Z: 9 7.936 1.789 0.360 0.658 0.875 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 13 15.785 1.813 0.616 0.804 0.917 0.750 CB 1.301 13 residues pruned to eliminate duplicates Z: 13 17.514 1.806 0.673 0.789 0.917 0.667 CB 1.417 13 residues pruned to eliminate duplicates Z: 12 13.334 1.871 0.721 0.669 0.818 0.727 CB 1.307 12 residues pruned to eliminate duplicates Z: 12 16.817 1.695 0.695 0.736 1.000 0.818 N 1.428 12 residues pruned to eliminate duplicates Z: 12 17.173 1.870 0.586 0.893 1.000 0.909 CB 1.253 12 residues pruned to eliminate duplicates Z: 12 13.305 1.702 0.651 0.755 1.000 0.727 CB 1.137 12 residues pruned to eliminate duplicates Z: 12 20.437 1.934 0.680 0.896 1.000 0.909 CB 1.358 12 residues pruned to eliminate duplicates Z: 15 16.961 1.750 0.653 0.814 0.929 0.929 CB 1.285 15 residues pruned to eliminate duplicates Z: 12 18.590 1.866 0.741 0.839 1.000 0.545 CB 1.289 12 residues pruned to eliminate duplicates Z: 11 11.817 1.836 0.272 0.678 1.000 0.600 N 1.359 Z: 12 10.968 1.785 0.288 0.840 1.000 0.636 CB 1.073 11 residues pruned to eliminate duplicates Z: 11 13.952 1.782 0.656 0.864 1.000 0.800 CB 1.097 11 residues pruned to eliminate duplicates Z: 10 12.937 1.845 0.525 0.908 1.000 0.889 CB 1.089 10 residues pruned to eliminate duplicates Z: 10 13.657 1.861 0.608 0.903 1.000 1.000 CB 1.084 10 residues pruned to eliminate duplicates Z: 11 14.257 1.832 0.448 0.895 1.000 0.900 CB 1.219 10 residues pruned to eliminate duplicates Z: 11 12.956 1.780 0.299 0.871 1.000 0.900 CB 1.292 11 residues pruned to eliminate duplicates Z: 11 13.295 1.874 0.430 0.667 1.000 0.800 CB 1.345 11 residues pruned to eliminate duplicates Z: 20 10.317 1.759 0.403 0.599 0.684 0.579 CB 1.275 20 residues pruned to eliminate duplicates Z: 10 13.264 1.819 0.449 0.762 1.000 0.556 CB 1.329 10 residues pruned to eliminate duplicates Z: 11 9.566 1.839 0.163 0.874 0.900 0.800 CB 1.144 11 residues pruned to eliminate duplicates Z: 13 11.010 1.721 0.428 0.789 1.000 0.750 CB 1.004 13 residues pruned to eliminate duplicates Z: 16 9.403 1.697 0.569 0.599 0.867 0.600 CB 0.957 16 residues pruned to eliminate duplicates Z: 12 5.952 1.685 0.123 0.345 0.818 0.273 O 1.372 5 residues pruned to eliminate duplicates Z: 8 4.703 1.572 0.442 0.605 0.714 0.429 N 0.994 8 residues pruned to eliminate duplicates Z: 19 10.610 1.667 0.260 0.560 0.889 0.500 CB 1.265 19 residues pruned to eliminate duplicates Z: 11 7.868 1.783 0.567 0.593 0.700 0.400 CB 1.165 11 residues pruned to eliminate duplicates Z: 10 4.114 1.711 0.201 0.434 0.556 0.222 CB 1.286 10 residues pruned to eliminate duplicates Z: 16 4.732 1.601 0.317 0.213 0.667 0.200 CB 1.219 16 residues pruned to eliminate duplicates Z: 16 7.840 1.668 0.354 0.571 0.733 0.533 CB 1.141 16 residues pruned to eliminate duplicates Z: 18 9.410 1.634 0.321 0.561 0.882 0.353 CB 1.130 18 residues pruned to eliminate duplicates Z: 19 11.698 1.722 0.359 0.596 0.889 0.500 CB 1.209 20 residues pruned to eliminate duplicates Z: 15 9.693 1.650 0.369 0.671 0.857 0.357 CB 1.142 15 residues pruned to eliminate duplicates Z: 12 9.838 1.689 0.428 0.640 1.000 0.364 CB 1.079 12 residues pruned to eliminate duplicates Z: 10 12.377 1.698 0.723 0.844 1.000 0.778 CB 1.049 9 residues pruned to eliminate duplicates Z: 14 11.264 1.642 0.682 0.796 0.923 0.769 CB 0.946 14 residues pruned to eliminate duplicates Z: 11 10.317 1.734 0.464 0.736 1.000 0.300 CB 1.039 11 residues pruned to eliminate duplicates Z: 12 7.494 1.666 0.704 0.677 0.636 0.273 CB 1.062 12 residues pruned to eliminate duplicates Z: 17 9.639 1.669 0.467 0.501 1.000 0.625 CB 0.983 17 residues pruned to eliminate duplicates Z: 17 10.751 1.707 0.413 0.554 0.938 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 10 8.677 1.538 0.529 0.703 0.889 0.778 CB 1.150 10 residues pruned to eliminate duplicates Z: 9 8.567 1.658 0.548 0.747 0.875 0.750 CB 1.081 9 residues pruned to eliminate duplicates Z: 7 5.068 1.666 0.427 0.669 0.667 0.667 CB 1.117 7 residues pruned to eliminate duplicates Z: 9 9.726 1.632 0.479 0.714 0.875 0.500 O 1.342 12 residues pruned to eliminate duplicates Z: 12 8.290 1.528 0.588 0.752 0.818 0.818 CB 1.005 10 residues pruned to eliminate duplicates Z: 10 8.631 1.557 0.703 0.807 0.889 0.778 CB 0.933 11 residues pruned to eliminate duplicates Z: 12 11.188 1.591 0.595 0.868 0.909 0.727 CB 1.069 11 residues pruned to eliminate duplicates Z: 11 12.146 1.623 0.515 0.896 1.000 0.900 CB 1.119 11 residues pruned to eliminate duplicates Z: 8 3.147 1.357 0.394 0.591 0.857 0.286 CB 0.672 8 residues pruned to eliminate duplicates Z: 9 3.067 1.280 0.442 0.458 0.750 0.625 CB 0.817 8 residues pruned to eliminate duplicates Z: 6 4.324 1.302 0.530 0.784 0.800 0.400 CB 0.946 6 residues pruned to eliminate duplicates Z: 14 6.222 1.676 0.384 0.247 0.846 0.385 CB 1.177 Z: 10 8.279 1.740 0.607 0.563 0.889 0.667 CB 1.044 16 residues pruned to eliminate duplicates Z: 8 12.043 1.807 0.572 0.854 1.000 0.857 CB 1.183 8 residues pruned to eliminate duplicates Z: 9 8.539 1.690 0.537 0.777 0.875 0.875 CB 1.040 9 residues pruned to eliminate duplicates Z: 15 6.308 1.611 0.468 0.350 0.857 0.571 CB 0.978 15 residues pruned to eliminate duplicates Z: 14 9.983 1.768 0.531 0.449 0.846 0.538 CB 1.274 15 residues pruned to eliminate duplicates Z: 6 10.162 1.751 0.479 0.794 1.000 0.400 CB 1.356 6 residues pruned to eliminate duplicates Z: 19 7.687 1.713 0.542 0.296 0.778 0.556 CB 1.108 25 residues pruned to eliminate duplicates Z: 9 5.099 1.684 0.563 0.558 0.750 0.625 CB 0.863 9 residues pruned to eliminate duplicates Z: 10 5.744 1.761 0.098 0.472 0.889 0.778 CB 1.145 8 residues pruned to eliminate duplicates Z: 10 9.374 1.616 0.627 0.692 0.778 0.222 CB 1.282 10 residues pruned to eliminate duplicates Z: 14 9.264 1.607 0.559 0.506 0.769 0.385 CB 1.326 14 residues pruned to eliminate duplicates Z: 13 8.947 1.587 0.391 0.594 0.917 0.750 CB 1.166 13 residues pruned to eliminate duplicates Z: 9 7.444 1.656 0.385 0.537 0.875 0.750 CB 1.264 9 residues pruned to eliminate duplicates Z: 10 10.758 1.594 0.627 0.524 1.000 0.556 N 1.350 10 residues pruned to eliminate duplicates Z: 12 8.119 1.602 0.517 0.629 0.727 0.364 CB 1.226 12 residues pruned to eliminate duplicates Z: 10 5.968 1.711 0.438 0.534 0.556 0.444 CB 1.408 10 residues pruned to eliminate duplicates Z: 12 11.437 1.634 0.488 0.812 0.909 0.636 CB 1.189 11 residues pruned to eliminate duplicates Z: 13 12.806 1.639 0.535 0.824 1.000 0.750 CB 1.110 13 residues pruned to eliminate duplicates Z: 18 14.919 1.593 0.547 0.834 0.941 0.706 CB 1.169 17 residues pruned to eliminate duplicates Z: 15 12.118 1.609 0.578 0.775 0.857 0.643 CB 1.168 15 residues pruned to eliminate duplicates Z: 11 8.403 1.458 0.583 0.746 0.900 0.500 CB 1.027 11 residues pruned to eliminate duplicates Z: 7 3.438 1.468 0.335 0.398 1.000 0.667 CB 0.798 5 residues pruned to eliminate duplicates Z: 11 9.066 1.664 0.610 0.755 0.900 0.800 CB 0.947 11 residues pruned to eliminate duplicates Z: 15 6.306 1.554 0.676 0.545 0.643 0.357 CB 0.963 15 residues pruned to eliminate duplicates Z: 8 4.873 1.504 0.558 0.457 0.857 0.429 CB 0.958 9 residues pruned to eliminate duplicates Z: 11 7.142 1.361 0.547 0.731 0.900 0.500 CB 0.968 Z: 11 7.181 1.315 0.529 0.825 0.900 0.500 CB 0.947 10 residues pruned to eliminate duplicates Z: 11 7.077 1.337 0.530 0.812 0.900 0.800 CB 0.926 11 residues pruned to eliminate duplicates Z: 9 6.764 1.336 0.619 0.863 0.875 0.625 CB 0.928 9 residues pruned to eliminate duplicates Z: 8 2.427 1.419 0.243 0.345 0.714 0.286 CB 0.862 8 residues pruned to eliminate duplicates Z: 7 10.988 1.902 0.510 0.860 1.000 0.833 CB 1.148 7 residues pruned to eliminate duplicates Z: 14 9.728 1.825 0.325 0.518 1.000 0.846 CB 1.096 16 residues pruned to eliminate duplicates Z: 8 12.359 1.853 0.463 0.872 1.000 1.000 CB 1.256 8 residues pruned to eliminate duplicates Z: 9 6.295 1.816 0.475 0.547 0.625 0.375 CB 1.269 9 residues pruned to eliminate duplicates Z: 8 9.756 1.922 0.564 0.699 0.857 0.571 CB 1.194 8 residues pruned to eliminate duplicates Z: 23 19.650 1.891 0.648 0.582 0.909 0.636 CB 1.368 30 residues pruned to eliminate duplicates Z: 7 8.385 1.871 0.553 0.546 0.833 0.333 O 1.351 7 residues pruned to eliminate duplicates Z: 21 19.896 1.905 0.644 0.595 0.850 0.700 CB 1.527 21 residues pruned to eliminate duplicates Z: 11 11.614 1.847 0.476 0.579 0.900 0.700 N 1.387 11 residues pruned to eliminate duplicates Z: 25 18.493 1.871 0.606 0.574 0.875 0.667 CB 1.337 25 residues pruned to eliminate duplicates Z: 26 17.357 1.832 0.543 0.541 0.880 0.560 CB 1.341 26 residues pruned to eliminate duplicates Z: 36 26.493 1.944 0.651 0.609 0.943 0.714 CB 1.334 36 residues pruned to eliminate duplicates Z: 23 21.751 1.885 0.809 0.601 0.909 0.682 CB 1.358 24 residues pruned to eliminate duplicates Z: 24 14.437 1.863 0.403 0.618 0.870 0.609 CB 1.185 21 residues pruned to eliminate duplicates Z: 19 17.467 1.901 0.457 0.677 1.000 0.778 CB 1.263 19 residues pruned to eliminate duplicates Z: 26 20.200 1.848 0.769 0.524 0.880 0.680 CB 1.371 26 residues pruned to eliminate duplicates Z: 18 19.670 1.961 0.510 0.645 0.941 0.412 CB 1.494 18 residues pruned to eliminate duplicates Z: 22 18.998 1.882 0.650 0.508 0.857 0.524 CB 1.545 22 residues pruned to eliminate duplicates Z: 20 17.174 1.873 0.886 0.454 0.895 0.421 CB 1.307 20 residues pruned to eliminate duplicates Z: 22 20.880 1.935 0.545 0.610 0.952 0.524 CB 1.440 22 residues pruned to eliminate duplicates Z: 35 19.373 1.891 0.551 0.496 0.794 0.500 CB 1.431 35 residues pruned to eliminate duplicates Z: 17 7.751 1.738 0.481 0.314 0.812 0.500 CB 1.138 17 residues pruned to eliminate duplicates Z: 26 18.508 1.862 0.668 0.576 0.880 0.560 CB 1.259 26 residues pruned to eliminate duplicates Z: 28 18.611 1.853 0.701 0.508 0.889 0.593 CB 1.269 28 residues pruned to eliminate duplicates Z: 13 8.257 1.806 0.567 0.464 0.833 0.500 CB 1.048 13 residues pruned to eliminate duplicates Z: 8 7.361 1.725 0.738 0.506 0.714 0.571 CB 1.291 Z: 6 3.848 1.702 0.215 0.501 0.800 0.400 CB 1.039 Z: 19 21.665 2.012 0.517 0.846 0.944 0.722 CB 1.316 19 residues pruned to eliminate duplicates Z: 42 31.750 1.978 0.522 0.730 0.976 0.732 CB 1.373 42 residues pruned to eliminate duplicates Z: 11 21.030 2.160 0.385 0.924 1.000 1.000 CB 1.561 11 residues pruned to eliminate duplicates Z: 15 13.658 2.055 0.142 0.785 0.929 0.857 CB 1.304 15 residues pruned to eliminate duplicates Z: 18 16.990 2.024 0.405 0.735 0.882 0.765 CB 1.330 18 residues pruned to eliminate duplicates Z: 16 18.355 2.077 0.395 0.787 0.867 0.800 CB 1.466 16 residues pruned to eliminate duplicates Z: 54 30.066 1.943 0.613 0.583 0.925 0.660 CB 1.316 54 residues pruned to eliminate duplicates Z: 25 20.090 1.935 0.674 0.634 0.917 0.750 CB 1.218 25 residues pruned to eliminate duplicates Z: 40 26.758 1.955 0.469 0.675 0.923 0.615 CB 1.376 40 residues pruned to eliminate duplicates Z: 25 18.184 1.910 0.503 0.614 0.875 0.667 CB 1.327 25 residues pruned to eliminate duplicates Z: 22 16.357 1.963 0.355 0.627 0.857 0.714 CB 1.390 22 residues pruned to eliminate duplicates Z: 46 30.515 1.973 0.593 0.680 0.911 0.733 CB 1.346 46 residues pruned to eliminate duplicates Z: 37 22.909 1.956 0.623 0.625 0.889 0.639 CB 1.203 37 residues pruned to eliminate duplicates Z: 56 28.199 1.918 0.577 0.632 0.909 0.691 CB 1.221 72 residues pruned to eliminate duplicates Z: 28 31.692 1.995 0.919 0.656 0.926 0.667 CB 1.488 33 residues pruned to eliminate duplicates Z: 20 27.961 2.079 0.757 0.855 0.947 0.895 CB 1.368 20 residues pruned to eliminate duplicates Z: 19 29.330 1.990 1.272 0.833 0.889 0.167 CB 1.290 19 residues pruned to eliminate duplicates Z: 30 30.674 1.968 1.013 0.678 0.862 0.586 CB 1.416 30 residues pruned to eliminate duplicates Z: 31 35.130 1.952 1.022 0.704 0.933 0.367 CB 1.446 30 residues pruned to eliminate duplicates Z: 25 32.377 2.004 0.862 0.775 1.000 0.458 CB 1.389 25 residues pruned to eliminate duplicates Z: 29 39.703 1.998 1.116 0.721 0.929 0.571 CB 1.566 29 residues pruned to eliminate duplicates Z: 16 13.066 1.830 0.831 0.465 0.800 0.533 CB 1.305 13 residues pruned to eliminate duplicates Z: 8 4.529 1.557 0.929 0.328 0.714 0.286 CB 0.963 8 residues pruned to eliminate duplicates Z: 27 20.366 2.011 0.821 0.597 0.769 0.346 CB 1.293 27 residues pruned to eliminate duplicates Z: 12 11.588 1.919 0.803 0.452 0.727 0.545 CB 1.459 12 residues pruned to eliminate duplicates Z: 12 15.257 1.956 0.647 0.523 0.909 0.545 CB 1.536 17 residues pruned to eliminate duplicates Z: 8 3.928 1.515 0.353 0.418 0.714 0.429 N 1.104 8 residues pruned to eliminate duplicates Z: 16 11.244 1.964 0.738 0.442 0.667 0.600 CB 1.354 16 residues pruned to eliminate duplicates Z: 25 17.087 1.920 0.565 0.553 0.875 0.667 CB 1.260 24 residues pruned to eliminate duplicates Z: 12 16.031 1.882 0.473 0.905 1.000 0.909 CB 1.240 12 residues pruned to eliminate duplicates Z: 11 10.255 1.955 0.216 0.607 0.900 0.500 CB 1.369 11 residues pruned to eliminate duplicates Z: 13 6.974 1.827 0.578 0.454 0.583 0.500 CB 1.254 13 residues pruned to eliminate duplicates Z: 19 14.146 1.850 0.541 0.536 0.889 0.667 CB 1.269 19 residues pruned to eliminate duplicates Z: 15 16.307 1.901 0.529 0.773 0.929 0.714 CB 1.268 15 residues pruned to eliminate duplicates Z: 15 11.080 1.795 0.428 0.741 0.857 0.786 CB 1.087 15 residues pruned to eliminate duplicates Z: 17 15.183 1.902 0.433 0.689 0.875 0.750 CB 1.339 17 residues pruned to eliminate duplicates Z: 16 13.430 1.896 0.398 0.660 0.867 0.600 CB 1.301 16 residues pruned to eliminate duplicates Z: 23 13.063 1.752 0.446 0.601 0.864 0.455 CB 1.156 23 residues pruned to eliminate duplicates Z: 47 22.716 1.931 0.693 0.497 0.783 0.500 CB 1.312 48 residues pruned to eliminate duplicates Z: 12 12.605 1.944 0.435 0.744 0.909 0.636 CB 1.205 12 residues pruned to eliminate duplicates Z: 23 16.815 1.952 0.613 0.608 0.818 0.545 CB 1.255 23 residues pruned to eliminate duplicates Z: 24 16.848 1.939 0.542 0.569 0.826 0.565 CB 1.330 24 residues pruned to eliminate duplicates Z: 10 11.206 1.979 0.658 0.426 0.778 0.444 O 1.580 11 residues pruned to eliminate duplicates Z: 8 8.083 1.612 0.751 0.452 0.857 0.429 CA 1.326 8 residues pruned to eliminate duplicates Z: 9 8.575 1.858 0.504 0.518 0.750 0.625 CB 1.421 9 residues pruned to eliminate duplicates Z: 7 12.335 1.990 0.622 0.659 0.833 0.500 N 1.615 7 residues pruned to eliminate duplicates Z: 7 10.378 2.014 0.384 0.625 0.833 0.500 N 1.622 7 residues pruned to eliminate duplicates Z: 7 4.552 1.373 0.580 0.712 0.833 0.333 N 0.848 6 residues pruned to eliminate duplicates Z: 16 11.787 1.544 0.304 0.778 1.000 0.667 CB 1.182 14 residues pruned to eliminate duplicates Z: 16 11.206 1.619 0.214 0.798 0.867 0.667 CB 1.309 16 residues pruned to eliminate duplicates Z: 12 9.940 1.645 0.360 0.686 0.909 0.545 CB 1.242 12 residues pruned to eliminate duplicates Z: 7 5.459 1.558 0.409 0.637 1.000 0.500 N 0.893 7 residues pruned to eliminate duplicates Z: 9 8.559 1.639 0.487 0.591 1.000 0.500 CB 1.138 9 residues pruned to eliminate duplicates Z: 10 8.471 1.631 0.536 0.602 0.889 0.333 N 1.150 10 residues pruned to eliminate duplicates Z: 13 11.870 1.642 0.717 0.687 0.833 0.500 CB 1.228 13 residues pruned to eliminate duplicates Z: 15 15.397 1.673 0.722 0.860 0.929 0.714 CB 1.131 17 residues pruned to eliminate duplicates Z: 15 12.928 1.587 0.683 0.827 0.929 0.857 CB 1.050 15 residues pruned to eliminate duplicates Z: 14 14.493 1.621 0.851 0.851 0.923 0.538 CB 1.075 14 residues pruned to eliminate duplicates Z: 6 4.084 1.664 0.347 0.484 0.800 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 14 9.456 1.656 0.353 0.782 0.846 0.615 CB 1.079 14 residues pruned to eliminate duplicates Z: 10 5.051 1.442 0.601 0.425 0.778 0.444 N 1.013 10 residues pruned to eliminate duplicates Z: 12 5.962 1.457 0.377 0.856 0.818 0.727 CB 0.807 12 residues pruned to eliminate duplicates Z: 11 4.681 1.563 0.562 0.336 0.700 0.100 CB 1.036 11 residues pruned to eliminate duplicates Z: 18 8.027 1.514 0.468 0.587 0.824 0.471 CB 0.979 18 residues pruned to eliminate duplicates Z: 9 7.175 1.610 0.380 0.662 0.875 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 15 6.381 1.568 0.495 0.306 0.714 0.429 CB 1.265 15 residues pruned to eliminate duplicates Z: 7 5.987 1.629 0.419 0.712 0.833 0.833 CB 1.047 7 residues pruned to eliminate duplicates Z: 18 8.952 1.711 0.380 0.406 0.824 0.412 CB 1.232 28 residues pruned to eliminate duplicates Z: 12 8.626 1.569 0.565 0.778 0.818 0.364 CB 1.013 12 residues pruned to eliminate duplicates Z: 11 4.630 1.625 0.277 0.470 0.800 0.500 CB 0.909 11 residues pruned to eliminate duplicates Z: 12 8.105 1.695 0.455 0.555 0.818 0.818 CB 1.148 12 residues pruned to eliminate duplicates Z: 13 7.337 1.803 0.337 0.418 0.917 0.500 CB 1.044 13 residues pruned to eliminate duplicates Z: 18 11.259 1.658 0.403 0.493 0.941 0.765 CB 1.256 18 residues pruned to eliminate duplicates Z: 12 4.942 1.664 0.294 0.303 0.727 0.273 CB 1.185 12 residues pruned to eliminate duplicates Z: 16 5.880 1.698 0.312 0.408 0.667 0.267 CB 1.126 16 residues pruned to eliminate duplicates Z: 11 5.195 1.697 0.305 0.357 0.700 0.200 CB 1.237 11 residues pruned to eliminate duplicates Z: 6 4.097 1.644 0.193 0.480 0.800 0.000 O 1.191 6 residues pruned to eliminate duplicates Z: 11 7.443 1.819 0.161 0.453 0.900 0.400 CB 1.300 11 residues pruned to eliminate duplicates Z: 11 4.538 1.530 0.417 0.462 0.900 0.500 CB 0.765 11 residues pruned to eliminate duplicates Z: 10 3.076 1.676 0.430 0.145 0.556 0.556 CB 1.194 10 residues pruned to eliminate duplicates Z: 13 4.032 1.745 0.072 0.259 0.667 0.333 CB 1.229 13 residues pruned to eliminate duplicates Z: 10 6.260 1.819 0.176 0.456 1.000 0.667 CB 1.020 10 residues pruned to eliminate duplicates Z: 15 6.356 1.791 0.136 0.394 0.786 0.500 CB 1.188 15 residues pruned to eliminate duplicates Z: 18 8.691 1.709 0.289 0.363 0.824 0.471 O 1.347 18 residues pruned to eliminate duplicates Z: 21 7.804 1.715 0.196 0.298 0.850 0.350 CB 1.255 27 residues pruned to eliminate duplicates Z: 9 5.494 1.603 0.218 0.613 0.750 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 13 6.013 1.729 0.197 0.500 0.667 0.167 N 1.258 13 residues pruned to eliminate duplicates Z: 24 9.701 1.707 0.327 0.394 0.826 0.522 CB 1.209 24 residues pruned to eliminate duplicates Z: 12 7.010 1.679 0.555 0.750 0.727 0.273 CB 0.890 12 residues pruned to eliminate duplicates Z: 24 7.095 1.617 0.114 0.354 0.826 0.522 CB 1.164 24 residues pruned to eliminate duplicates Z: 24 9.694 1.747 0.363 0.406 0.870 0.478 CB 1.077 18 residues pruned to eliminate duplicates Z: 6 3.108 1.793 0.247 0.555 0.400 0.400 N 1.474 Z: 14 11.027 1.562 0.289 0.817 0.923 0.615 CB 1.249 20 residues pruned to eliminate duplicates Z: 12 5.189 1.736 0.254 0.251 0.727 0.273 N 1.316 12 residues pruned to eliminate duplicates Z: 10 7.463 1.635 0.693 0.526 0.778 0.333 N 1.126 10 residues pruned to eliminate duplicates Z: 12 5.769 1.596 0.486 0.464 0.636 0.273 N 1.196 12 residues pruned to eliminate duplicates Z: 9 7.303 1.662 0.703 0.570 0.875 0.625 N 0.974 9 residues pruned to eliminate duplicates Z: 13 9.209 1.507 0.951 0.516 0.750 0.083 N 1.188 13 residues pruned to eliminate duplicates Z: 15 10.397 1.529 0.628 0.713 0.786 0.357 N 1.172 15 residues pruned to eliminate duplicates Z: 11 6.677 1.546 0.707 0.516 0.700 0.400 CB 1.125 11 residues pruned to eliminate duplicates Z: 14 13.734 1.688 0.463 0.852 0.923 0.923 CB 1.236 14 residues pruned to eliminate duplicates Z: 7 2.174 1.327 0.403 0.386 0.667 0.500 O 0.807 7 residues pruned to eliminate duplicates Z: 17 13.544 1.603 0.521 0.810 0.875 0.750 CB 1.212 17 residues pruned to eliminate duplicates Z: 10 6.694 1.417 0.509 0.765 0.889 0.667 O 0.928 10 residues pruned to eliminate duplicates Z: 11 4.954 1.267 0.580 0.806 0.900 0.800 CB 0.665 11 residues pruned to eliminate duplicates Z: 17 15.013 1.544 0.886 0.879 1.000 0.625 CB 0.935 16 residues pruned to eliminate duplicates Z: 9 6.537 1.417 0.767 0.887 1.000 0.750 CB 0.665 9 residues pruned to eliminate duplicates 946 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 6 D: 9 E: 15 F: 9 G: 11 H: 84 I: 21 J: 47 K: 13 L: 10 M: 28 N: 19 O: 15 P: 25 Q: 17 R: 19 S: 17 T: 7 U: 14 V: 23 W: 42 X: 13 Y: 11 Z: 9 Z: 12 Z: 20 Z: 36 Z: 10 Z: 13 Z: 22 Z: 12 Z: 6 Z: 13 Z: 12 Z: 100 Z: 78 Z: 16 Z: 24 Z: 34 Z: 19 Z: 21 CC for partial structure against native data = 36.59 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.646, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.751, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.764, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.775, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.780, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.784, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.784, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.785, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.784, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3817 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 956 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 8.986 1.601 0.576 0.429 0.786 0.571 CB 1.304 B: 17 28.567 1.957 0.827 0.935 0.938 0.875 CB 1.484 C: 21 7.655 1.727 0.884 0.357 0.650 0.400 CB 0.944 D: 22 21.785 1.870 0.695 0.780 0.857 0.714 CB 1.367 E: 15 24.359 1.959 0.869 0.899 0.929 0.857 CB 1.369 15 residues pruned to eliminate duplicates F: 16 30.687 2.019 0.690 0.916 1.000 0.800 O 1.640 17 residues pruned to eliminate duplicates G: 11 9.779 1.748 0.728 0.557 0.800 0.400 O 1.210 H: 16 32.412 2.041 0.770 0.927 1.000 0.933 O 1.624 16 residues pruned to eliminate duplicates I: 9 6.162 1.813 0.343 0.775 0.875 0.750 CB 0.802 9 residues pruned to eliminate duplicates J: 9 6.411 1.743 0.522 0.760 0.875 0.500 CB 0.775 K: 8 5.634 1.714 0.586 0.295 0.857 0.571 O 1.149 L: 7 11.085 1.998 0.681 0.472 1.000 0.500 CB 1.387 M: 12 12.818 1.935 0.416 0.856 0.818 0.727 CB 1.271 N: 10 8.664 1.744 0.842 0.363 0.889 0.667 CB 1.172 8 residues pruned to eliminate duplicates O: 9 7.718 1.775 0.648 0.731 0.875 0.500 CB 0.866 P: 13 21.156 1.902 0.725 0.865 1.000 0.917 CB 1.363 12 residues pruned to eliminate duplicates Q: 14 28.645 1.966 1.101 0.873 1.000 0.615 CB 1.402 14 residues pruned to eliminate duplicates R: 10 3.526 1.680 0.905 0.293 0.333 0.333 N 1.390 S: 6 12.053 2.017 0.407 0.870 1.000 0.800 CB 1.386 9 residues pruned to eliminate duplicates T: 14 16.271 1.908 0.536 0.826 0.923 0.692 CB 1.258 14 residues pruned to eliminate duplicates U: 6 6.159 1.728 0.186 0.651 1.000 0.600 CB 1.168 V: 9 16.553 1.958 0.833 0.870 0.875 0.875 CB 1.360 W: 9 9.109 1.667 0.624 0.792 0.875 0.625 CB 1.053 X: 8 11.582 1.876 0.519 0.781 0.857 0.857 CB 1.400 Y: 13 22.650 1.908 0.706 0.901 1.000 0.917 CB 1.434 13 residues pruned to eliminate duplicates Z: 19 11.631 1.919 0.681 0.496 0.778 0.500 CB 1.097 18 residues pruned to eliminate duplicates Z: 13 5.945 1.709 0.411 0.316 0.750 0.417 CB 1.162 8 residues pruned to eliminate duplicates Z: 7 13.349 1.978 0.528 0.893 1.000 1.000 CB 1.294 Z: 20 20.401 1.841 0.621 0.851 0.895 0.632 CB 1.297 19 residues pruned to eliminate duplicates Z: 11 8.231 1.938 0.078 0.295 0.900 0.500 CB 1.743 Z: 22 16.381 1.813 0.546 0.604 0.857 0.619 CB 1.348 4 residues pruned to eliminate duplicates Z: 20 31.329 1.998 0.900 0.907 1.000 0.684 CB 1.345 18 residues pruned to eliminate duplicates Z: 13 23.944 1.884 1.021 0.882 1.000 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 21 19.588 1.818 0.536 0.852 0.950 0.800 CB 1.222 Z: 23 11.516 1.855 0.453 0.330 0.864 0.545 CB 1.271 Z: 12 11.019 1.752 0.588 0.840 0.909 0.818 CB 0.980 Z: 16 16.240 1.766 0.612 0.857 0.933 0.733 CB 1.163 15 residues pruned to eliminate duplicates Z: 20 9.109 1.880 0.701 0.398 0.684 0.526 CB 1.064 20 residues pruned to eliminate duplicates Z: 9 7.729 1.825 0.765 0.778 0.750 0.500 CB 0.885 Z: 9 8.343 1.773 0.509 0.536 0.875 0.375 CB 1.215 Z: 12 18.451 1.788 0.898 0.720 0.909 0.727 CB 1.478 Z: 14 13.978 1.902 0.882 0.528 0.769 0.538 O 1.369 14 residues pruned to eliminate duplicates Z: 20 24.109 1.899 0.700 0.880 0.947 0.737 CB 1.311 20 residues pruned to eliminate duplicates Z: 39 13.112 1.886 0.518 0.388 0.737 0.500 CB 1.135 22 residues pruned to eliminate duplicates Z: 10 4.665 1.774 0.427 0.401 0.889 0.667 CB 0.767 Z: 17 15.279 1.751 0.811 0.841 0.875 0.438 CB 1.026 17 residues pruned to eliminate duplicates Z: 9 4.023 1.454 0.738 0.320 0.750 0.500 CB 0.915 Z: 10 10.218 1.809 0.215 0.802 1.000 0.889 O 1.191 10 residues pruned to eliminate duplicates Z: 8 4.384 1.795 0.404 0.467 0.714 0.429 CB 0.952 Z: 14 19.952 1.915 0.754 0.886 1.000 0.846 CB 1.188 9 residues pruned to eliminate duplicates Z: 7 5.368 1.825 0.365 0.261 0.833 0.667 CB 1.388 Z: 7 8.357 1.849 0.353 0.822 1.000 0.500 CB 1.031 6 residues pruned to eliminate duplicates Z: 12 5.278 1.750 0.192 0.412 1.000 0.636 CB 0.836 Z: 30 30.246 1.786 0.868 0.829 0.862 0.621 CB 1.470 30 residues pruned to eliminate duplicates Z: 9 4.422 1.659 1.012 0.273 0.625 0.375 CB 0.969 Z: 13 14.424 1.883 0.567 0.836 0.833 0.417 N 1.268 13 residues pruned to eliminate duplicates Z: 23 37.844 2.039 0.939 0.897 1.000 0.864 CB 1.462 31 residues pruned to eliminate duplicates Z: 8 7.893 1.988 0.492 0.817 1.000 0.714 CB 0.764 Z: 29 13.420 1.877 0.549 0.535 0.750 0.393 CB 1.123 21 residues pruned to eliminate duplicates Z: 24 38.516 1.924 1.165 0.910 0.957 0.391 CB 1.430 23 residues pruned to eliminate duplicates Z: 13 7.523 1.832 0.392 0.330 0.917 0.417 CB 1.119 7 residues pruned to eliminate duplicates Z: 16 8.211 1.557 0.432 0.578 0.800 0.533 CB 1.102 Z: 9 7.794 1.539 0.480 0.775 0.875 0.750 CB 1.084 Z: 15 31.772 2.017 0.992 0.895 0.929 0.714 CB 1.632 16 residues pruned to eliminate duplicates Z: 12 5.491 1.504 0.652 0.244 0.818 0.273 CB 1.095 Z: 21 32.479 1.992 0.722 0.908 1.000 0.900 CB 1.503 21 residues pruned to eliminate duplicates Z: 10 9.818 1.701 0.857 0.517 0.778 0.556 CB 1.310 Z: 12 15.321 2.055 0.350 0.880 1.000 0.818 CB 1.206 11 residues pruned to eliminate duplicates Z: 16 15.469 1.727 0.530 0.724 0.933 0.733 CB 1.323 16 residues pruned to eliminate duplicates Z: 7 3.365 1.602 0.416 0.237 0.667 0.333 N 1.233 Z: 10 15.197 1.879 0.667 0.867 0.778 0.556 O 1.520 Z: 20 20.149 1.913 0.773 0.848 0.842 0.526 CB 1.201 20 residues pruned to eliminate duplicates Z: 12 6.537 1.462 0.527 0.508 0.909 0.545 CB 0.964 12 residues pruned to eliminate duplicates Z: 9 5.612 1.788 0.463 0.512 0.625 0.250 N 1.199 5 residues pruned to eliminate duplicates Z: 9 12.697 1.697 0.608 0.893 1.000 0.750 CB 1.181 Z: 7 4.772 1.525 0.769 0.736 0.833 0.667 CB 0.701 7 residues pruned to eliminate duplicates Z: 22 11.434 1.815 0.486 0.462 0.762 0.381 CB 1.262 Z: 8 8.792 1.776 0.508 0.828 1.000 0.571 CB 0.934 9 residues pruned to eliminate duplicates Z: 8 13.213 1.862 0.677 0.739 1.000 0.857 CB 1.291 6 residues pruned to eliminate duplicates Z: 11 10.609 1.527 0.448 0.784 1.000 0.700 CB 1.181 10 residues pruned to eliminate duplicates Z: 14 19.989 1.894 0.831 0.887 0.923 0.769 CB 1.248 14 residues pruned to eliminate duplicates Z: 13 25.795 1.946 0.975 0.849 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 6 3.320 1.619 0.259 0.396 0.800 0.400 CB 1.016 Z: 12 3.373 1.704 0.359 0.155 0.545 0.364 CB 1.229 Z: 10 13.669 1.704 0.572 0.916 1.000 1.000 CB 1.201 Z: 10 5.014 1.623 0.223 0.515 0.667 0.444 CB 1.246 Z: 14 19.858 1.901 0.509 0.818 0.923 0.615 O 1.577 14 residues pruned to eliminate duplicates Z: 10 3.498 1.530 0.534 0.381 0.667 0.222 N 0.846 Z: 8 5.295 1.829 0.065 0.425 0.714 0.429 N 1.555 5 residues pruned to eliminate duplicates Z: 10 11.235 1.769 0.504 0.874 1.000 1.000 CB 1.024 Z: 15 26.451 1.897 0.954 0.896 1.000 0.857 CB 1.366 12 residues pruned to eliminate duplicates Z: 12 6.428 1.703 0.194 0.672 0.727 0.545 CB 1.119 Z: 16 4.587 1.624 0.257 0.202 0.667 0.467 N 1.240 15 residues pruned to eliminate duplicates Z: 25 11.878 1.796 0.470 0.357 0.833 0.500 CB 1.286 15 residues pruned to eliminate duplicates Z: 27 12.649 1.788 0.465 0.509 0.808 0.615 CB 1.161 10 residues pruned to eliminate duplicates Z: 19 19.519 1.834 0.730 0.824 0.833 0.722 CB 1.314 19 residues pruned to eliminate duplicates Z: 21 35.794 2.006 0.821 0.904 1.000 0.850 CB 1.561 21 residues pruned to eliminate duplicates Z: 11 15.564 1.737 0.535 0.771 1.000 0.700 CB 1.452 Z: 10 6.862 1.724 0.222 0.712 1.000 0.778 CB 0.896 7 residues pruned to eliminate duplicates Z: 16 12.686 1.843 0.712 0.789 0.667 0.333 N 1.209 10 residues pruned to eliminate duplicates Z: 9 8.635 1.702 0.404 0.539 0.875 0.625 CB 1.405 9 residues pruned to eliminate duplicates Z: 7 5.608 1.657 0.136 0.591 0.833 0.833 CB 1.337 Z: 21 23.050 1.867 0.800 0.874 0.850 0.750 CB 1.313 21 residues pruned to eliminate duplicates Z: 7 8.896 1.923 0.635 0.812 0.833 0.500 CB 1.056 7 residues pruned to eliminate duplicates Z: 7 7.610 1.679 0.571 0.411 1.000 0.333 CB 1.293 Z: 10 10.861 1.702 0.994 0.785 1.000 0.667 CB 0.830 10 residues pruned to eliminate duplicates Z: 8 4.031 1.239 0.704 0.605 0.714 0.571 O 0.914 Z: 6 3.673 1.546 0.418 0.640 0.800 0.400 CB 0.821 Z: 14 11.130 1.663 0.420 0.784 0.846 0.385 CB 1.203 Z: 9 7.642 1.911 0.469 0.833 1.000 0.875 CB 0.722 Z: 9 7.438 1.769 0.111 0.821 1.000 0.875 O 1.013 Z: 6 4.992 1.578 0.852 0.454 0.800 0.400 N 1.000 Z: 17 18.290 1.798 0.767 0.779 0.875 0.812 CB 1.286 21 residues pruned to eliminate duplicates Z: 7 3.527 1.562 0.322 0.233 0.833 0.500 CB 1.142 Z: 12 14.930 2.038 0.197 0.908 1.000 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 8 4.466 1.469 0.345 0.522 0.857 0.571 CB 0.975 Z: 6 6.836 1.584 0.620 0.763 1.000 0.800 N 0.944 6 residues pruned to eliminate duplicates Z: 6 3.483 1.509 0.358 0.490 0.800 0.400 CB 0.960 7 residues pruned to eliminate duplicates Z: 6 7.540 1.807 0.653 0.843 0.800 0.800 CB 1.051 Z: 8 4.563 1.566 0.517 0.286 0.714 0.714 CB 1.294 Z: 11 18.890 2.068 0.404 0.909 1.000 1.000 CB 1.459 11 residues pruned to eliminate duplicates Z: 13 3.792 1.771 0.341 0.227 0.500 0.500 CB 1.268 10 residues pruned to eliminate duplicates Z: 7 7.790 1.654 0.372 0.807 0.833 0.667 CB 1.287 Z: 11 6.619 1.690 0.662 0.371 0.800 0.500 CB 1.069 Z: 11 11.091 1.609 0.593 0.871 0.900 0.700 CB 1.109 Z: 24 10.079 1.675 0.559 0.356 0.783 0.391 CB 1.201 30 residues pruned to eliminate duplicates Z: 15 20.584 1.908 0.590 0.838 0.857 0.714 O 1.582 15 residues pruned to eliminate duplicates Z: 15 5.853 1.671 0.391 0.435 0.714 0.357 CB 1.007 Z: 9 5.581 1.826 0.703 0.609 0.750 0.375 CB 0.763 Z: 10 9.460 1.649 0.502 0.855 0.889 0.778 CB 1.057 10 residues pruned to eliminate duplicates Z: 7 4.346 1.567 0.563 0.520 0.667 0.667 CB 1.065 Z: 12 8.135 1.839 0.485 0.434 0.727 0.545 CB 1.322 8 residues pruned to eliminate duplicates Z: 11 7.328 1.743 0.307 0.826 0.900 0.700 CB 0.852 12 residues pruned to eliminate duplicates Z: 6 4.266 1.914 0.630 0.457 0.800 0.400 CB 0.799 6 residues pruned to eliminate duplicates Z: 17 23.144 1.848 0.890 0.842 0.938 0.500 CB 1.317 17 residues pruned to eliminate duplicates Z: 14 7.888 1.874 0.406 0.407 0.769 0.538 CB 1.190 Z: 8 6.132 1.390 0.965 0.381 1.000 0.286 CB 0.963 Z: 8 9.521 1.585 0.308 0.875 1.000 0.857 CB 1.263 Z: 7 3.797 1.678 0.194 0.626 1.000 0.500 CB 0.687 Z: 6 3.518 1.481 0.591 0.520 0.800 0.400 CB 0.818 Z: 7 6.268 1.770 0.231 0.845 1.000 0.833 CB 0.873 Z: 9 7.841 1.758 0.349 0.875 1.000 0.875 CB 0.850 9 residues pruned to eliminate duplicates Z: 7 7.470 1.724 0.570 0.865 1.000 0.833 CB 0.825 Z: 11 7.649 1.670 0.152 0.828 0.900 0.800 CB 1.052 11 residues pruned to eliminate duplicates Z: 9 9.836 1.742 0.644 0.833 0.875 0.625 CB 1.042 Z: 20 25.228 1.877 0.745 0.888 1.000 0.737 CB 1.273 31 residues pruned to eliminate duplicates Z: 8 7.303 1.736 0.237 0.835 1.000 0.714 CB 0.962 6 residues pruned to eliminate duplicates Z: 9 12.846 1.739 0.651 0.874 1.000 0.750 CB 1.151 8 residues pruned to eliminate duplicates 6 1.766 1.606 0.811 0.323 0.600 0.600 N 0.550 ? Z: 8 7.831 1.647 0.322 0.647 0.857 0.714 CB 1.383 8 residues pruned to eliminate duplicates Z: 7 3.344 1.617 0.422 0.786 0.833 0.500 CB 0.554 Z: 14 10.618 1.660 0.651 0.842 0.769 0.538 CB 1.041 13 residues pruned to eliminate duplicates Z: 12 11.591 1.527 0.711 0.834 0.909 0.818 CB 1.103 Z: 6 3.408 1.742 0.367 0.285 0.800 0.600 CB 1.020 Z: 18 11.157 1.568 0.408 0.758 0.882 0.765 CB 1.104 12 residues pruned to eliminate duplicates Z: 58 29.878 1.911 0.596 0.520 0.912 0.614 CB 1.394 65 residues pruned to eliminate duplicates Z: 12 5.811 1.748 0.230 0.283 0.818 0.364 CB 1.271 12 residues pruned to eliminate duplicates Z: 10 8.172 1.628 0.576 0.636 0.778 0.556 CB 1.202 Z: 6 3.913 1.532 0.339 0.475 0.800 0.400 N 1.094 Z: 8 11.829 1.833 0.769 0.676 0.857 0.857 CB 1.367 Z: 9 9.172 1.634 0.320 0.842 1.000 0.750 CB 1.121 Z: 7 3.248 1.617 0.448 0.244 0.667 0.333 CB 1.142 Z: 6 10.171 1.907 0.332 0.827 1.000 1.000 CB 1.349 Z: 14 9.331 1.838 0.485 0.587 0.846 0.692 CB 1.031 19 residues pruned to eliminate duplicates Z: 16 14.716 1.732 0.641 0.723 0.867 0.533 CB 1.260 16 residues pruned to eliminate duplicates Z: 22 8.690 1.823 0.319 0.264 0.762 0.524 CB 1.355 33 residues pruned to eliminate duplicates Z: 12 7.465 1.716 0.398 0.621 0.727 0.364 CB 1.151 9 residues pruned to eliminate duplicates Z: 13 10.134 1.487 0.451 0.849 1.000 0.583 CB 1.005 13 residues pruned to eliminate duplicates Z: 6 3.524 1.709 0.073 0.492 0.800 0.600 N 1.083 Z: 13 10.508 1.664 0.716 0.788 0.833 0.583 CB 0.990 13 residues pruned to eliminate duplicates Z: 12 4.161 1.601 0.048 0.285 0.818 0.364 N 1.165 Z: 37 14.698 1.914 0.405 0.402 0.806 0.556 CB 1.253 36 residues pruned to eliminate duplicates Z: 7 3.330 1.648 0.657 0.718 0.667 0.333 CB 0.613 7 residues pruned to eliminate duplicates Z: 12 6.736 1.206 0.838 0.712 0.818 0.455 CB 0.924 Z: 8 6.193 1.786 0.059 0.813 1.000 0.857 CB 0.943 Z: 17 29.412 1.889 1.143 0.905 0.938 0.625 CB 1.380 16 residues pruned to eliminate duplicates Z: 12 10.175 1.599 0.157 0.784 1.000 0.545 CB 1.291 12 residues pruned to eliminate duplicates Z: 8 3.453 1.537 0.154 0.334 0.857 0.429 CB 1.029 Z: 8 8.716 1.788 0.496 0.776 0.714 0.571 O 1.351 8 residues pruned to eliminate duplicates Z: 18 8.814 1.648 0.423 0.421 0.941 0.647 CB 1.051 9 residues pruned to eliminate duplicates Z: 13 15.001 1.918 0.407 0.833 0.833 0.583 O 1.443 14 residues pruned to eliminate duplicates Z: 21 8.415 1.865 0.189 0.258 0.900 0.400 CB 1.244 21 residues pruned to eliminate duplicates Z: 14 24.871 1.890 0.896 0.919 1.000 0.769 CB 1.357 14 residues pruned to eliminate duplicates Z: 7 10.227 1.935 0.396 0.857 1.000 0.833 CB 1.140 7 residues pruned to eliminate duplicates Z: 6 4.981 1.489 0.551 0.859 0.800 0.600 CB 0.887 5 residues pruned to eliminate duplicates Z: 7 9.199 1.919 0.455 0.798 1.000 0.667 CB 1.036 7 residues pruned to eliminate duplicates Z: 9 11.347 1.583 0.599 0.896 1.000 0.875 CB 1.135 Z: 6 4.949 1.570 0.041 0.699 1.000 0.600 N 1.130 Z: 12 3.255 1.604 0.182 0.214 0.636 0.455 CB 1.140 8 residues pruned to eliminate duplicates Z: 7 2.361 1.297 0.335 0.669 1.000 0.500 CB 0.477 Z: 19 18.409 1.832 0.890 0.885 0.889 0.611 CB 1.018 19 residues pruned to eliminate duplicates Z: 9 11.503 1.755 0.665 0.855 0.875 0.875 N 1.174 9 residues pruned to eliminate duplicates Z: 8 9.090 2.020 0.646 0.866 1.000 0.857 CB 0.757 Z: 14 4.955 1.697 0.264 0.312 0.615 0.385 CB 1.283 14 residues pruned to eliminate duplicates Z: 16 13.445 1.754 0.604 0.482 0.933 0.600 CB 1.346 Z: 20 28.102 1.909 0.679 0.888 1.000 0.842 CB 1.449 21 residues pruned to eliminate duplicates Z: 6 9.414 1.618 0.561 0.735 1.000 0.800 O 1.350 Z: 15 23.864 1.974 0.920 0.910 1.000 0.857 CB 1.193 14 residues pruned to eliminate duplicates Z: 7 7.086 1.766 1.047 0.848 1.000 0.667 CB 0.594 5 residues pruned to eliminate duplicates Z: 11 3.664 1.478 0.441 0.164 0.800 0.400 CB 1.024 12 residues pruned to eliminate duplicates Z: 10 9.784 1.652 0.521 0.573 1.000 0.667 CB 1.210 8 residues pruned to eliminate duplicates Z: 10 8.500 1.621 0.424 0.916 1.000 1.000 CB 0.867 10 residues pruned to eliminate duplicates Z: 6 6.291 1.732 0.321 0.622 0.800 0.600 CB 1.369 Z: 9 10.798 1.599 0.516 0.908 1.000 1.000 CB 1.118 8 residues pruned to eliminate duplicates Z: 9 6.007 1.755 0.334 0.485 0.875 0.500 CB 1.053 Z: 19 8.686 1.414 0.305 0.801 0.944 0.556 CB 0.903 13 residues pruned to eliminate duplicates Z: 9 4.492 1.631 0.690 0.300 0.750 0.625 CB 0.960 Z: 29 13.164 1.798 0.657 0.417 0.714 0.429 CB 1.275 27 residues pruned to eliminate duplicates Z: 10 8.182 1.758 0.252 0.881 0.889 0.778 O 1.009 10 residues pruned to eliminate duplicates Z: 6 6.904 1.825 0.467 0.435 0.800 0.600 O 1.542 6 residues pruned to eliminate duplicates Z: 11 6.880 1.464 0.338 0.726 0.800 0.600 CB 1.132 Z: 12 10.232 1.565 0.459 0.773 0.909 0.727 CB 1.167 13 residues pruned to eliminate duplicates Z: 14 16.746 1.930 0.845 0.578 0.846 0.692 CB 1.430 20 residues pruned to eliminate duplicates Z: 20 12.064 1.955 0.528 0.506 0.789 0.579 CB 1.166 19 residues pruned to eliminate duplicates Z: 12 11.083 1.678 0.564 0.783 0.818 0.545 CB 1.213 12 residues pruned to eliminate duplicates Z: 11 2.978 1.624 0.658 0.328 0.700 0.500 CB 0.603 Z: 6 4.445 2.019 0.405 0.806 1.000 1.000 CB 0.536 5 residues pruned to eliminate duplicates Z: 7 3.834 1.529 0.562 0.409 0.833 0.333 CB 0.865 Z: 10 5.976 1.640 0.217 0.592 0.889 0.667 CB 1.029 Z: 7 5.089 1.453 0.520 0.478 0.833 0.500 CB 1.154 Z: 10 3.365 1.382 0.179 0.689 0.778 0.556 CB 0.744 Z: 26 9.987 1.786 0.353 0.329 0.800 0.560 CB 1.246 26 residues pruned to eliminate duplicates Z: 6 3.192 1.391 0.313 0.286 0.800 0.800 N 1.242 Z: 9 5.104 1.622 0.467 0.303 0.750 0.750 O 1.260 9 residues pruned to eliminate duplicates Z: 9 8.697 1.682 0.599 0.721 0.875 0.750 CB 1.070 10 residues pruned to eliminate duplicates Z: 25 12.205 1.822 0.426 0.418 0.917 0.500 CB 1.139 26 residues pruned to eliminate duplicates Z: 12 5.758 1.582 0.383 0.375 0.727 0.455 CB 1.246 12 residues pruned to eliminate duplicates Z: 8 7.842 1.873 0.249 0.901 1.000 1.000 CB 0.904 7 residues pruned to eliminate duplicates Z: 11 9.136 1.682 0.613 0.868 0.900 0.900 CB 0.865 Z: 9 13.224 1.853 0.685 0.854 1.000 1.000 CB 1.106 8 residues pruned to eliminate duplicates Z: 7 6.696 1.508 0.489 0.712 0.833 0.667 O 1.206 Z: 6 2.533 1.169 0.458 0.336 1.000 0.200 CA 0.795 Z: 15 9.091 1.569 0.654 0.702 0.857 0.643 CB 0.909 14 residues pruned to eliminate duplicates 6 1.520 1.454 0.282 0.254 0.600 0.200 O 0.806 ? Z: 43 15.995 1.738 0.706 0.410 0.762 0.429 CB 1.200 36 residues pruned to eliminate duplicates Z: 12 6.025 1.735 0.543 0.410 0.727 0.545 CB 1.025 13 residues pruned to eliminate duplicates Z: 9 3.968 1.608 -0.089 0.567 0.750 0.625 N 1.196 7 residues pruned to eliminate duplicates Z: 17 10.906 1.809 0.564 0.491 0.812 0.750 CB 1.197 17 residues pruned to eliminate duplicates Z: 8 8.489 1.663 0.416 0.909 1.000 1.000 CB 0.967 7 residues pruned to eliminate duplicates Z: 6 3.594 1.471 0.553 0.448 0.800 0.600 CB 0.928 Z: 19 8.683 1.665 0.407 0.334 0.889 0.500 CB 1.178 19 residues pruned to eliminate duplicates Z: 6 5.242 1.837 0.733 0.604 0.600 0.400 CB 1.111 Z: 13 8.597 1.670 0.238 0.848 0.833 0.583 O 1.068 Z: 15 5.787 1.425 0.738 0.341 0.786 0.429 CB 0.945 Z: 24 11.161 1.930 0.498 0.441 0.696 0.478 CB 1.229 24 residues pruned to eliminate duplicates Z: 10 7.811 1.757 0.359 0.487 0.778 0.556 CB 1.420 10 residues pruned to eliminate duplicates Z: 10 6.363 1.558 0.447 0.549 0.667 0.444 CB 1.345 10 residues pruned to eliminate duplicates Z: 6 4.143 1.591 0.212 0.569 0.800 0.600 N 1.124 Z: 8 7.597 1.559 0.157 0.880 1.000 0.857 O 1.154 7 residues pruned to eliminate duplicates Z: 7 2.451 1.650 0.081 0.301 0.667 0.667 CB 1.050 7 residues pruned to eliminate duplicates Z: 7 3.572 1.488 0.130 0.444 0.833 0.833 O 1.102 Z: 20 6.893 1.656 0.395 0.338 0.789 0.632 CB 1.034 7 residues pruned to eliminate duplicates Z: 24 11.096 1.804 0.725 0.398 0.652 0.304 CB 1.270 30 residues pruned to eliminate duplicates Z: 6 6.400 1.745 0.535 0.568 0.800 0.600 CB 1.251 Z: 29 10.657 1.760 0.590 0.438 0.679 0.500 CB 1.131 Z: 20 6.913 1.531 0.361 0.327 0.737 0.263 CB 1.248 Z: 9 9.173 1.642 0.566 0.702 0.875 0.625 CB 1.199 9 residues pruned to eliminate duplicates Z: 16 11.979 1.598 0.501 0.893 1.000 0.600 CB 0.925 11 residues pruned to eliminate duplicates Z: 15 8.586 1.711 0.487 0.418 0.714 0.500 CB 1.375 19 residues pruned to eliminate duplicates Z: 9 13.947 1.649 0.647 0.828 1.000 0.625 O 1.367 11 residues pruned to eliminate duplicates Z: 6 3.716 1.435 0.436 0.765 0.800 0.400 CB 0.797 Z: 11 9.625 1.661 0.426 0.698 1.000 0.500 CB 1.073 11 residues pruned to eliminate duplicates Z: 11 10.314 1.597 0.584 0.794 1.000 0.700 CB 0.997 Z: 26 19.305 1.828 0.818 0.593 0.840 0.440 CB 1.265 30 residues pruned to eliminate duplicates Z: 8 6.371 1.603 0.838 0.477 0.714 0.571 N 1.171 8 residues pruned to eliminate duplicates Z: 8 6.621 1.775 0.571 0.398 0.714 0.286 CB 1.399 8 residues pruned to eliminate duplicates Z: 7 3.129 1.351 0.379 0.490 0.667 0.500 O 1.039 Z: 13 14.386 1.629 0.574 0.900 1.000 0.917 O 1.157 18 residues pruned to eliminate duplicates Z: 11 14.610 1.978 0.519 0.761 0.900 0.900 CB 1.355 11 residues pruned to eliminate duplicates Z: 6 2.441 1.489 -0.062 0.397 1.000 0.400 CB 0.871 Z: 16 16.436 1.891 0.774 0.858 0.733 0.400 CB 1.270 16 residues pruned to eliminate duplicates 6 1.525 1.107 0.428 0.743 0.800 0.400 CB 0.434 ? Z: 6 5.170 1.484 0.510 0.795 1.000 1.000 CB 0.797 Z: 12 16.652 1.868 0.848 0.878 1.000 0.909 CB 1.056 12 residues pruned to eliminate duplicates Z: 7 2.569 1.297 0.782 0.461 0.833 0.667 CB 0.566 4 residues pruned to eliminate duplicates Z: 19 11.488 1.735 0.703 0.401 0.722 0.444 CB 1.409 17 residues pruned to eliminate duplicates Z: 10 3.769 1.768 0.535 0.328 0.556 0.333 CB 1.006 Z: 11 5.820 1.674 0.362 0.361 0.900 0.600 CB 1.042 Z: 11 10.179 1.539 0.764 0.842 0.900 0.800 CB 0.981 19 residues pruned to eliminate duplicates Z: 8 8.465 1.542 0.615 0.771 1.000 0.857 CB 1.011 12 residues pruned to eliminate duplicates 6 0.759 1.537 0.785 0.482 0.600 0.400 CB 0.210 ? Z: 16 16.262 1.773 0.558 0.611 0.867 0.533 CB 1.578 16 residues pruned to eliminate duplicates Z: 6 4.394 1.423 0.116 0.842 1.000 0.600 N 0.921 6 residues pruned to eliminate duplicates 6 0.878 1.231 0.645 0.296 0.600 0.200 CB 0.406 ? Z: 9 7.268 1.492 0.437 0.848 0.875 0.625 CB 1.017 9 residues pruned to eliminate duplicates 9 1.573 1.430 0.253 0.159 0.500 0.250 N 0.941 ? Z: 6 3.779 1.423 0.556 0.767 0.800 0.600 CB 0.753 6 residues pruned to eliminate duplicates Z: 7 2.829 1.494 0.223 0.246 1.000 0.500 CB 0.847 Z: 24 10.766 1.442 0.730 0.603 0.870 0.391 CB 0.939 21 residues pruned to eliminate duplicates Z: 8 2.149 1.446 0.567 0.375 0.714 0.429 CB 0.574 Z: 17 26.104 1.902 0.773 0.874 1.000 0.875 CB 1.409 22 residues pruned to eliminate duplicates Z: 40 17.638 1.740 0.597 0.490 0.795 0.410 CB 1.291 40 residues pruned to eliminate duplicates Z: 6 2.868 1.535 0.401 0.540 0.600 0.400 CB 0.957 6 residues pruned to eliminate duplicates Z: 8 4.059 1.547 0.404 0.554 0.714 0.714 CB 0.938 Z: 7 4.351 1.549 0.160 0.597 0.833 0.333 N 1.082 Z: 9 5.780 1.891 0.569 0.825 1.000 0.750 CB 0.520 6 1.928 1.361 0.601 0.266 0.600 0.400 N 0.861 ? Z: 7 5.635 1.600 0.490 0.586 0.833 0.333 CB 1.066 Z: 13 8.812 1.479 0.706 0.656 0.750 0.417 CB 1.162 13 residues pruned to eliminate duplicates Z: 11 4.032 1.285 0.379 0.766 0.700 0.600 CB 0.811 Z: 7 7.077 1.652 0.555 0.760 0.833 0.667 CB 1.072 7 residues pruned to eliminate duplicates Z: 16 10.045 1.696 0.680 0.557 0.733 0.200 CB 1.175 30 residues pruned to eliminate duplicates Z: 8 3.707 1.608 0.776 0.306 0.571 0.286 N 1.066 Z: 11 12.144 1.676 0.567 0.838 0.900 0.600 CB 1.214 11 residues pruned to eliminate duplicates Z: 11 5.666 1.497 0.163 0.752 0.800 0.500 CB 1.027 11 residues pruned to eliminate duplicates Z: 18 9.037 1.739 0.462 0.422 0.706 0.529 CB 1.325 51 residues pruned to eliminate duplicates Z: 8 4.063 1.631 0.389 0.204 0.714 0.429 CB 1.347 Z: 7 2.429 1.456 -0.046 0.466 0.667 0.500 CB 1.109 Z: 11 8.349 1.654 0.429 0.727 0.800 0.700 O 1.139 Z: 13 8.109 1.553 0.598 0.769 0.833 0.583 CB 0.892 9 residues pruned to eliminate duplicates Z: 6 2.838 1.539 -0.219 0.660 0.800 0.800 CB 1.138 6 residues pruned to eliminate duplicates Z: 9 5.087 1.501 0.381 0.430 0.750 0.375 O 1.244 Z: 6 4.906 1.450 0.273 0.601 1.000 0.600 O 1.080 6 residues pruned to eliminate duplicates Z: 13 7.515 1.524 0.467 0.713 0.750 0.583 O 1.066 13 residues pruned to eliminate duplicates 7 1.664 1.463 0.508 0.245 0.500 0.500 CB 0.827 ? Z: 7 4.633 1.677 -0.026 0.789 1.000 0.833 CB 0.899 Z: 7 2.297 1.516 0.092 0.235 0.667 0.333 CB 1.155 Z: 11 6.901 1.565 0.569 0.758 0.800 0.400 CB 0.883 11 residues pruned to eliminate duplicates Z: 9 3.778 1.576 0.095 0.267 0.875 0.625 N 1.153 9 residues pruned to eliminate duplicates Z: 6 2.221 1.358 0.577 0.295 0.600 0.600 N 0.972 Z: 14 9.965 1.788 0.762 0.419 0.923 0.462 CB 1.033 14 residues pruned to eliminate duplicates Z: 11 4.499 1.875 0.392 0.355 0.600 0.600 CB 1.063 11 residues pruned to eliminate duplicates Z: 12 4.809 1.804 0.158 0.548 0.818 0.455 CB 0.810 12 residues pruned to eliminate duplicates Z: 9 2.510 1.534 0.714 0.261 0.500 0.375 CB 0.887 Z: 14 5.048 1.668 0.663 0.214 0.923 0.462 CB 0.766 Z: 13 8.156 1.555 0.761 0.846 0.583 0.333 CB 1.095 13 residues pruned to eliminate duplicates Z: 12 8.703 1.640 0.249 0.781 0.909 0.636 CB 1.100 12 residues pruned to eliminate duplicates Z: 7 3.893 1.690 -0.053 0.433 0.833 0.167 CB 1.277 Z: 7 4.581 1.472 0.391 0.567 0.833 0.667 CB 1.027 Z: 6 2.000 1.605 0.360 0.299 0.400 0.400 CB 1.282 Z: 12 6.158 1.579 0.305 0.507 0.818 0.636 CB 1.093 Z: 9 6.964 1.507 0.566 0.607 0.875 0.625 CB 1.076 Z: 7 4.246 1.681 0.739 0.393 0.667 0.500 CB 0.996 21 residues pruned to eliminate duplicates Z: 15 7.473 1.520 0.438 0.796 0.786 0.500 CB 0.898 12 residues pruned to eliminate duplicates Z: 14 6.987 1.780 0.890 0.645 0.462 0.231 CB 1.091 14 residues pruned to eliminate duplicates Z: 6 2.138 1.657 1.195 0.458 0.600 0.400 CB 0.457 Z: 7 7.573 1.876 0.258 0.813 1.000 0.667 CB 0.999 6 residues pruned to eliminate duplicates Z: 6 6.974 1.743 0.794 0.489 1.000 1.000 CB 1.008 6 residues pruned to eliminate duplicates Z: 9 2.619 1.329 0.499 0.176 0.875 0.375 CB 0.786 Z: 9 9.773 1.666 0.572 0.790 0.875 0.625 CB 1.170 9 residues pruned to eliminate duplicates Z: 12 6.703 1.738 0.127 0.501 0.818 0.545 CB 1.261 6 residues pruned to eliminate duplicates Z: 6 4.543 1.569 0.410 0.426 0.800 0.600 O 1.239 Z: 9 3.939 1.615 0.347 0.333 0.625 0.625 CB 1.231 Z: 8 8.265 1.567 0.675 0.878 1.000 1.000 CB 0.864 6 residues pruned to eliminate duplicates Z: 9 4.173 1.626 0.492 0.507 0.750 0.500 CB 0.805 Z: 12 7.279 1.609 0.534 0.436 0.727 0.545 N 1.307 12 residues pruned to eliminate duplicates Z: 15 5.478 1.710 0.380 0.280 0.643 0.286 CB 1.238 15 residues pruned to eliminate duplicates Z: 12 10.504 1.672 0.561 0.871 0.909 0.545 CB 0.973 11 residues pruned to eliminate duplicates Z: 13 8.743 1.461 0.657 0.802 0.833 0.583 CB 0.960 Z: 6 2.798 1.404 0.266 0.396 1.000 0.400 N 0.786 Z: 14 3.492 1.545 0.524 0.208 0.615 0.385 CB 0.945 9 residues pruned to eliminate duplicates Z: 41 16.219 1.745 0.424 0.366 0.875 0.500 CB 1.362 21 residues pruned to eliminate duplicates Z: 15 10.447 1.584 0.282 0.838 0.929 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 6 6.436 1.599 0.223 0.633 1.000 0.400 CB 1.299 Z: 8 5.747 1.535 0.604 0.769 0.714 0.571 CB 0.974 8 residues pruned to eliminate duplicates Z: 6 2.347 1.534 0.299 0.466 0.600 0.400 CB 0.909 Z: 16 9.609 1.657 0.298 0.495 0.867 0.533 CB 1.337 16 residues pruned to eliminate duplicates Z: 7 4.857 1.711 0.080 0.704 0.833 0.833 O 1.070 10 residues pruned to eliminate duplicates Z: 6 2.976 1.575 0.020 0.496 0.800 0.600 CB 1.040 Z: 6 2.616 1.488 0.406 0.466 0.800 0.400 CB 0.723 6 residues pruned to eliminate duplicates Z: 7 6.659 1.886 0.238 0.747 0.667 0.500 O 1.401 7 residues pruned to eliminate duplicates Z: 12 5.772 1.692 0.769 0.357 0.636 0.364 CB 1.066 Z: 6 3.963 1.652 0.474 0.468 0.600 0.600 CB 1.253 Z: 6 5.850 1.732 0.794 0.857 1.000 1.000 CB 0.620 Z: 8 3.044 1.414 0.479 0.210 0.714 0.429 C 1.084 Z: 8 3.220 1.573 -0.026 0.580 1.000 0.286 CB 0.735 Z: 6 9.092 1.550 0.719 0.503 1.000 0.600 N 1.521 Z: 6 5.513 1.747 0.131 0.740 1.000 0.800 O 1.006 6 residues pruned to eliminate duplicates Z: 7 2.596 1.539 0.039 0.297 0.833 0.333 CB 0.998 6 1.919 1.257 0.540 0.297 0.800 0.400 CB 0.695 ? Z: 7 2.830 1.589 0.210 0.512 0.667 0.500 CB 0.890 Z: 7 5.293 1.412 0.362 0.821 1.000 0.833 CB 0.851 9 residues pruned to eliminate duplicates Z: 11 4.474 1.488 0.680 0.809 0.800 0.400 CB 0.541 11 residues pruned to eliminate duplicates Z: 7 7.289 1.654 0.594 0.594 0.833 0.833 O 1.237 5 residues pruned to eliminate duplicates Z: 7 3.180 1.571 0.571 0.359 0.667 0.333 O 0.918 Z: 6 5.496 1.965 0.577 0.860 1.000 0.800 CB 0.583 6 residues pruned to eliminate duplicates Z: 6 2.947 1.391 0.325 0.642 0.800 0.800 CB 0.783 Z: 6 7.161 1.501 1.021 0.763 0.800 0.800 CB 1.045 Z: 8 3.289 1.572 0.037 0.694 1.000 0.857 CB 0.639 Z: 10 4.300 1.495 0.345 0.856 0.889 0.889 CB 0.591 7 residues pruned to eliminate duplicates Z: 10 10.346 1.682 0.659 0.710 0.889 0.333 CB 1.149 10 residues pruned to eliminate duplicates Z: 13 10.489 1.732 0.910 0.549 0.750 0.333 CB 1.164 13 residues pruned to eliminate duplicates Z: 8 4.474 1.617 0.401 0.692 0.857 0.571 CB 0.731 8 residues pruned to eliminate duplicates Z: 7 5.389 1.587 0.461 0.540 0.833 0.333 CB 1.094 7 residues pruned to eliminate duplicates Z: 9 3.036 1.552 0.739 0.808 0.750 0.625 CB 0.405 7 residues pruned to eliminate duplicates Z: 19 26.587 1.935 0.958 0.885 0.944 0.778 CB 1.264 19 residues pruned to eliminate duplicates Z: 8 9.007 1.441 0.625 0.796 1.000 0.571 CB 1.122 9 residues pruned to eliminate duplicates Z: 12 7.989 1.833 0.478 0.707 0.909 0.727 CB 0.811 6 residues pruned to eliminate duplicates Z: 11 9.426 1.488 0.744 0.741 1.000 0.700 CB 0.926 10 residues pruned to eliminate duplicates Z: 11 3.777 1.509 0.746 0.059 0.700 0.300 N 1.159 6 1.131 1.209 0.263 0.283 0.600 0.400 CB 0.705 ? Z: 16 7.357 1.757 0.108 0.376 0.867 0.600 CB 1.285 17 residues pruned to eliminate duplicates Z: 6 2.761 1.323 0.088 0.494 1.000 0.400 CB 0.863 Z: 9 7.310 1.684 0.134 0.844 1.000 0.875 O 1.007 9 residues pruned to eliminate duplicates Z: 14 12.506 1.777 0.545 0.720 0.923 0.692 CB 1.122 13 residues pruned to eliminate duplicates Z: 10 3.716 1.503 0.154 0.349 0.778 0.222 CB 1.081 8 1.813 1.443 0.646 0.118 0.429 0.286 N 1.090 ? Z: 10 10.946 1.656 0.831 0.865 1.000 0.444 CB 0.882 10 residues pruned to eliminate duplicates Z: 7 7.780 1.625 0.381 0.600 1.000 0.667 N 1.287 8 residues pruned to eliminate duplicates Z: 6 4.709 1.500 0.277 0.841 1.000 0.600 CB 0.820 Z: 8 5.798 1.668 0.044 0.640 0.857 0.571 CB 1.288 Z: 8 6.044 1.579 0.573 0.288 1.000 0.571 CB 1.168 Using tripeptides from previous cycle as seeds Z: 7 9.510 1.581 0.585 0.732 1.000 1.000 CB 1.257 8 residues pruned to eliminate duplicates Z: 7 12.589 1.666 0.771 0.869 1.000 0.667 O 1.273 6 residues pruned to eliminate duplicates Z: 8 5.784 1.529 0.180 0.866 0.857 0.571 CB 1.034 8 residues pruned to eliminate duplicates Z: 7 5.288 1.752 0.339 0.593 0.667 0.500 CB 1.263 7 residues pruned to eliminate duplicates Z: 12 4.912 1.580 0.237 0.487 0.727 0.273 CB 1.056 12 residues pruned to eliminate duplicates Z: 10 4.603 1.651 0.176 0.317 0.778 0.556 CB 1.244 11 residues pruned to eliminate duplicates Z: 8 10.175 1.695 0.511 0.879 1.000 0.714 CB 1.089 8 residues pruned to eliminate duplicates Z: 8 9.019 1.713 0.419 0.740 0.857 0.714 N 1.320 9 residues pruned to eliminate duplicates Z: 9 8.885 1.646 0.472 0.844 0.875 0.750 CB 1.103 8 residues pruned to eliminate duplicates Z: 8 8.509 1.736 0.421 0.863 0.857 0.857 CB 1.117 8 residues pruned to eliminate duplicates Z: 10 10.300 1.620 0.455 0.685 1.000 0.778 CB 1.229 10 residues pruned to eliminate duplicates Z: 9 11.977 1.650 0.455 0.874 1.000 0.875 CB 1.284 9 residues pruned to eliminate duplicates Z: 8 9.854 1.696 0.507 0.861 1.000 1.000 CB 1.071 8 residues pruned to eliminate duplicates Z: 14 6.772 1.669 0.548 0.337 0.692 0.385 N 1.255 13 residues pruned to eliminate duplicates Z: 9 12.496 1.869 0.661 0.877 1.000 0.875 CB 1.034 9 residues pruned to eliminate duplicates Z: 11 18.120 1.928 0.806 0.910 1.000 1.000 CB 1.167 11 residues pruned to eliminate duplicates Z: 12 12.664 1.922 0.600 0.817 0.909 0.727 CB 1.036 12 residues pruned to eliminate duplicates Z: 21 15.069 1.866 0.464 0.658 0.850 0.650 CB 1.253 21 residues pruned to eliminate duplicates Z: 12 18.531 1.942 0.639 0.758 1.000 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 12 14.690 1.896 0.808 0.708 0.818 0.545 CB 1.308 12 residues pruned to eliminate duplicates Z: 13 17.610 1.947 1.028 0.719 0.833 0.667 CB 1.267 14 residues pruned to eliminate duplicates Z: 16 25.023 1.896 0.927 0.877 0.933 0.733 CB 1.376 16 residues pruned to eliminate duplicates Z: 12 10.196 1.902 0.759 0.468 0.727 0.545 CB 1.304 12 residues pruned to eliminate duplicates Z: 12 11.567 1.813 0.766 0.602 0.818 0.455 CB 1.209 12 residues pruned to eliminate duplicates Z: 18 11.470 1.752 0.705 0.459 0.706 0.471 CB 1.375 18 residues pruned to eliminate duplicates Z: 24 19.542 1.885 0.500 0.616 0.957 0.696 CB 1.350 24 residues pruned to eliminate duplicates Z: 8 7.543 1.621 0.761 0.648 0.714 0.429 O 1.218 Z: 7 5.933 1.486 0.755 0.654 0.833 0.833 CB 0.967 7 residues pruned to eliminate duplicates Z: 8 11.009 1.429 0.708 0.820 1.000 0.714 CB 1.292 8 residues pruned to eliminate duplicates Z: 10 15.962 1.722 0.830 0.886 0.889 0.889 CB 1.371 15 residues pruned to eliminate duplicates Z: 11 12.572 1.604 0.451 0.822 1.000 0.800 CB 1.292 11 residues pruned to eliminate duplicates Z: 10 13.969 1.589 0.742 0.892 1.000 1.000 CB 1.209 10 residues pruned to eliminate duplicates Z: 12 13.131 1.549 0.773 0.894 0.909 0.727 CB 1.138 12 residues pruned to eliminate duplicates Z: 10 12.139 1.583 0.550 0.812 1.000 0.667 CB 1.257 10 residues pruned to eliminate duplicates Z: 26 16.115 1.998 0.671 0.411 0.800 0.520 CB 1.324 22 residues pruned to eliminate duplicates Z: 11 17.831 2.044 0.510 0.675 1.000 0.700 CB 1.555 11 residues pruned to eliminate duplicates Z: 24 17.384 1.987 0.606 0.430 0.870 0.739 CB 1.404 26 residues pruned to eliminate duplicates Z: 10 11.967 1.870 0.497 0.687 0.889 0.778 CB 1.350 10 residues pruned to eliminate duplicates Z: 28 14.646 1.951 0.448 0.446 0.852 0.667 CB 1.238 28 residues pruned to eliminate duplicates Z: 13 12.280 2.095 0.495 0.463 0.833 0.667 CB 1.411 13 residues pruned to eliminate duplicates Z: 27 13.758 1.977 0.588 0.381 0.731 0.500 CB 1.335 27 residues pruned to eliminate duplicates Z: 23 16.764 2.005 0.625 0.499 0.773 0.636 CB 1.420 23 residues pruned to eliminate duplicates Z: 22 19.613 1.999 0.612 0.456 0.952 0.571 CB 1.459 22 residues pruned to eliminate duplicates Z: 10 12.561 1.900 0.337 0.683 0.889 0.667 CB 1.567 10 residues pruned to eliminate duplicates Z: 20 10.293 1.922 0.495 0.383 0.789 0.474 CB 1.179 20 residues pruned to eliminate duplicates Z: 17 16.384 2.017 0.844 0.619 0.875 0.562 CB 1.125 17 residues pruned to eliminate duplicates Z: 17 10.310 1.845 0.504 0.403 0.812 0.500 CB 1.266 17 residues pruned to eliminate duplicates Z: 25 14.792 1.967 0.509 0.530 0.792 0.500 CB 1.247 25 residues pruned to eliminate duplicates Z: 13 7.296 1.961 0.396 0.401 0.833 0.500 CB 1.025 13 residues pruned to eliminate duplicates Z: 9 5.018 1.985 0.615 0.328 0.500 0.375 CB 1.337 9 residues pruned to eliminate duplicates Z: 24 13.538 1.922 0.427 0.436 0.783 0.609 CB 1.405 24 residues pruned to eliminate duplicates Z: 10 8.270 1.939 0.454 0.480 0.778 0.556 CB 1.282 10 residues pruned to eliminate duplicates Z: 19 13.053 1.983 0.522 0.477 0.778 0.611 CB 1.341 19 residues pruned to eliminate duplicates Z: 18 10.346 1.884 0.282 0.401 0.941 0.529 CB 1.225 18 residues pruned to eliminate duplicates Z: 10 6.815 1.894 0.464 0.411 0.778 0.556 CB 1.156 10 residues pruned to eliminate duplicates Z: 33 16.095 1.932 0.490 0.416 0.812 0.594 CB 1.327 34 residues pruned to eliminate duplicates Z: 11 10.227 1.793 0.739 0.555 0.800 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 25 9.993 1.951 0.319 0.259 0.792 0.542 CB 1.318 25 residues pruned to eliminate duplicates Z: 22 7.454 1.849 0.124 0.216 0.810 0.429 CB 1.351 22 residues pruned to eliminate duplicates Z: 19 9.893 1.990 0.372 0.303 0.722 0.500 CB 1.471 19 residues pruned to eliminate duplicates Z: 11 6.859 1.960 0.122 0.236 0.800 0.500 CB 1.675 11 residues pruned to eliminate duplicates Z: 30 10.684 1.959 0.309 0.236 0.828 0.448 CB 1.270 30 residues pruned to eliminate duplicates Z: 14 6.910 1.937 0.306 0.281 0.692 0.385 CB 1.401 14 residues pruned to eliminate duplicates Z: 16 6.908 1.918 0.300 0.219 0.733 0.533 CB 1.357 16 residues pruned to eliminate duplicates Z: 11 3.909 1.837 0.363 0.283 0.600 0.400 CB 1.050 11 residues pruned to eliminate duplicates Z: 14 8.088 2.000 0.273 0.226 0.769 0.538 CB 1.578 14 residues pruned to eliminate duplicates Z: 23 9.363 1.865 0.504 0.455 0.773 0.500 CB 0.965 23 residues pruned to eliminate duplicates Z: 14 7.880 1.959 0.626 0.382 0.846 0.769 CB 0.919 14 residues pruned to eliminate duplicates Z: 42 14.492 1.936 0.341 0.369 0.829 0.512 CB 1.210 42 residues pruned to eliminate duplicates Z: 33 12.412 1.892 0.306 0.293 0.844 0.562 CB 1.328 33 residues pruned to eliminate duplicates Z: 16 9.077 1.896 0.553 0.358 0.867 0.600 CB 1.070 16 residues pruned to eliminate duplicates Z: 22 13.442 1.887 0.547 0.355 1.000 0.524 CB 1.175 22 residues pruned to eliminate duplicates Z: 22 13.714 1.842 0.709 0.284 0.905 0.571 CB 1.340 22 residues pruned to eliminate duplicates Z: 28 10.580 1.837 0.418 0.288 0.778 0.444 CB 1.275 28 residues pruned to eliminate duplicates Z: 29 10.081 1.822 0.437 0.284 0.714 0.500 CB 1.300 29 residues pruned to eliminate duplicates Z: 24 18.028 1.919 0.592 0.368 0.957 0.522 CB 1.482 24 residues pruned to eliminate duplicates Z: 24 12.673 1.918 0.348 0.335 0.870 0.609 CB 1.407 24 residues pruned to eliminate duplicates Z: 10 6.923 1.935 0.407 0.382 0.667 0.333 CB 1.441 10 residues pruned to eliminate duplicates Z: 28 11.170 1.853 0.472 0.278 0.852 0.407 CB 1.190 28 residues pruned to eliminate duplicates Z: 42 15.127 1.877 0.420 0.377 0.829 0.463 CB 1.219 42 residues pruned to eliminate duplicates Z: 46 18.207 1.927 0.418 0.387 0.822 0.444 CB 1.362 46 residues pruned to eliminate duplicates Z: 20 12.472 1.900 0.615 0.380 0.842 0.421 CB 1.258 20 residues pruned to eliminate duplicates Z: 33 15.062 1.807 0.563 0.432 0.875 0.531 CB 1.155 33 residues pruned to eliminate duplicates Z: 52 21.378 1.911 0.519 0.417 0.843 0.451 CB 1.333 52 residues pruned to eliminate duplicates Z: 70 21.490 1.883 0.552 0.373 0.797 0.536 CB 1.273 70 residues pruned to eliminate duplicates Z: 39 13.531 1.838 0.371 0.428 0.816 0.447 CB 1.151 39 residues pruned to eliminate duplicates Z: 22 16.010 1.857 0.554 0.488 0.905 0.476 CB 1.355 22 residues pruned to eliminate duplicates Z: 43 19.847 1.875 0.563 0.561 0.786 0.500 CB 1.254 43 residues pruned to eliminate duplicates Z: 62 18.879 1.842 0.468 0.431 0.803 0.557 CB 1.196 62 residues pruned to eliminate duplicates Z: 44 17.941 1.855 0.553 0.484 0.884 0.558 CB 1.092 44 residues pruned to eliminate duplicates Z: 7 5.480 1.776 -0.123 0.829 1.000 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 9 11.416 1.936 0.379 0.807 1.000 0.875 CB 1.157 9 residues pruned to eliminate duplicates Z: 18 13.313 1.954 0.615 0.473 0.824 0.471 CB 1.277 18 residues pruned to eliminate duplicates Z: 12 12.886 1.964 0.787 0.484 0.818 0.545 CB 1.376 12 residues pruned to eliminate duplicates Z: 13 16.385 2.069 0.621 0.529 0.917 0.583 CB 1.495 13 residues pruned to eliminate duplicates Z: 13 23.849 2.063 0.821 0.701 0.917 0.750 CB 1.665 13 residues pruned to eliminate duplicates Z: 14 11.504 1.889 0.537 0.493 0.923 0.615 CB 1.200 14 residues pruned to eliminate duplicates Z: 14 23.685 1.950 1.092 0.649 0.923 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 42 19.158 1.882 0.772 0.417 0.780 0.415 CB 1.253 42 residues pruned to eliminate duplicates Z: 24 16.515 1.902 0.770 0.593 0.696 0.478 CB 1.344 24 residues pruned to eliminate duplicates Z: 15 20.087 2.004 0.986 0.513 0.929 0.500 N 1.433 15 residues pruned to eliminate duplicates Z: 78 26.232 1.921 0.559 0.441 0.805 0.571 CB 1.318 78 residues pruned to eliminate duplicates Z: 28 24.749 1.945 0.684 0.703 0.889 0.704 CB 1.360 28 residues pruned to eliminate duplicates Z: 19 29.459 1.980 0.961 0.793 0.889 0.667 CB 1.557 19 residues pruned to eliminate duplicates Z: 15 26.354 2.067 1.016 0.728 0.857 0.786 CB 1.605 15 residues pruned to eliminate duplicates Z: 25 23.470 1.923 0.840 0.601 0.833 0.542 CB 1.476 25 residues pruned to eliminate duplicates Z: 46 27.824 1.894 0.740 0.633 0.844 0.578 CB 1.315 46 residues pruned to eliminate duplicates Z: 21 27.575 1.943 1.002 0.695 0.950 0.500 CB 1.396 21 residues pruned to eliminate duplicates Z: 22 24.715 1.871 0.995 0.686 0.857 0.571 CB 1.421 22 residues pruned to eliminate duplicates Z: 19 28.153 1.977 1.106 0.780 0.889 0.611 CB 1.401 19 residues pruned to eliminate duplicates Z: 20 29.385 1.956 0.993 0.760 1.000 0.737 N 1.373 20 residues pruned to eliminate duplicates Z: 19 33.878 2.030 0.936 0.796 0.944 0.667 CB 1.659 20 residues pruned to eliminate duplicates Z: 6 4.989 1.671 0.368 0.769 0.800 0.800 CB 0.961 6 residues pruned to eliminate duplicates Z: 10 5.154 1.639 0.311 0.512 0.889 0.556 N 0.889 7 residues pruned to eliminate duplicates Z: 8 6.159 1.666 0.438 0.826 0.857 0.857 CB 0.855 7 residues pruned to eliminate duplicates Z: 14 11.141 1.529 0.750 0.859 0.846 0.615 CB 1.004 29 residues pruned to eliminate duplicates Z: 8 6.748 1.772 0.582 0.834 0.857 0.571 CB 0.796 8 residues pruned to eliminate duplicates Z: 8 8.424 1.753 0.812 0.743 0.857 0.714 CB 0.941 8 residues pruned to eliminate duplicates Z: 8 7.853 1.679 0.645 0.878 0.857 0.286 CB 0.910 8 residues pruned to eliminate duplicates Z: 9 5.504 1.571 0.707 0.462 0.625 0.375 N 1.207 9 residues pruned to eliminate duplicates Z: 31 12.749 1.848 0.493 0.324 0.767 0.433 CB 1.335 31 residues pruned to eliminate duplicates Z: 12 8.226 1.611 0.836 0.423 0.727 0.364 CB 1.249 12 residues pruned to eliminate duplicates Z: 18 10.199 1.754 0.488 0.514 0.824 0.529 CB 1.134 18 residues pruned to eliminate duplicates Z: 16 16.331 1.794 0.677 0.889 1.000 0.933 CB 1.009 16 residues pruned to eliminate duplicates Z: 20 9.717 1.548 0.582 0.493 0.789 0.632 CB 1.162 20 residues pruned to eliminate duplicates Z: 13 6.527 1.647 0.801 0.371 0.583 0.250 N 1.251 13 residues pruned to eliminate duplicates Z: 6 5.038 1.750 0.587 0.718 0.600 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 14 7.205 1.765 0.500 0.475 0.769 0.538 CB 1.007 14 residues pruned to eliminate duplicates Z: 18 12.848 1.677 0.594 0.594 1.000 0.765 CB 1.066 18 residues pruned to eliminate duplicates Z: 17 9.249 1.772 0.471 0.610 0.875 0.688 CB 0.914 17 residues pruned to eliminate duplicates Z: 10 9.773 1.949 0.851 0.460 0.889 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 8 6.487 1.776 0.744 0.637 0.714 0.714 CB 0.974 8 residues pruned to eliminate duplicates Z: 10 14.021 1.862 0.670 0.865 1.000 0.778 CB 1.102 10 residues pruned to eliminate duplicates Z: 13 7.655 1.859 0.462 0.528 0.833 0.667 CB 0.949 13 residues pruned to eliminate duplicates Z: 10 13.263 1.845 0.851 0.491 1.000 0.556 CB 1.307 10 residues pruned to eliminate duplicates Z: 22 12.751 1.872 0.665 0.435 0.762 0.524 CB 1.254 22 residues pruned to eliminate duplicates Z: 22 11.162 1.852 0.531 0.356 0.857 0.429 CB 1.171 22 residues pruned to eliminate duplicates Z: 11 10.173 1.819 0.780 0.484 0.800 0.600 CB 1.262 11 residues pruned to eliminate duplicates Z: 6 2.760 1.683 0.398 0.238 0.600 0.400 N 1.185 6 residues pruned to eliminate duplicates Z: 36 14.915 1.866 0.440 0.496 0.914 0.629 CB 1.030 36 residues pruned to eliminate duplicates Z: 26 12.199 1.825 0.666 0.312 0.720 0.480 CB 1.373 26 residues pruned to eliminate duplicates Z: 21 12.415 1.873 0.567 0.416 0.900 0.400 CB 1.147 21 residues pruned to eliminate duplicates Z: 30 16.384 1.866 0.565 0.540 0.897 0.552 CB 1.116 30 residues pruned to eliminate duplicates Z: 25 10.340 1.823 0.273 0.314 0.750 0.500 CB 1.491 31 residues pruned to eliminate duplicates Z: 18 8.593 1.862 0.439 0.251 0.824 0.471 CB 1.258 18 residues pruned to eliminate duplicates Z: 14 9.593 1.909 0.365 0.331 0.769 0.462 CB 1.596 14 residues pruned to eliminate duplicates Z: 32 14.273 1.833 0.403 0.506 0.903 0.548 CB 1.097 32 residues pruned to eliminate duplicates Z: 17 7.188 1.809 0.240 0.349 0.750 0.375 N 1.257 17 residues pruned to eliminate duplicates Z: 15 10.105 1.825 0.486 0.355 0.929 0.571 CB 1.254 15 residues pruned to eliminate duplicates Z: 19 8.309 1.778 0.400 0.237 0.833 0.389 CB 1.280 19 residues pruned to eliminate duplicates Z: 36 19.880 1.793 0.690 0.459 0.886 0.571 CB 1.305 36 residues pruned to eliminate duplicates Z: 20 12.113 1.844 0.330 0.480 0.895 0.632 CB 1.293 20 residues pruned to eliminate duplicates Z: 32 21.309 1.862 0.496 0.629 0.903 0.710 CB 1.347 32 residues pruned to eliminate duplicates Z: 52 22.026 1.821 0.543 0.509 0.922 0.529 CB 1.181 52 residues pruned to eliminate duplicates Z: 35 24.797 1.884 0.755 0.558 0.882 0.676 CB 1.378 35 residues pruned to eliminate duplicates Z: 18 14.063 1.787 0.838 0.488 0.765 0.529 CB 1.374 18 residues pruned to eliminate duplicates Z: 21 20.483 1.896 0.516 0.573 1.000 0.700 CB 1.485 21 residues pruned to eliminate duplicates Z: 22 17.561 1.940 0.409 0.573 0.905 0.524 CB 1.444 22 residues pruned to eliminate duplicates Z: 24 20.152 1.907 0.529 0.667 0.913 0.696 CB 1.353 24 residues pruned to eliminate duplicates Z: 21 21.562 1.944 0.587 0.618 0.850 0.550 N 1.645 21 residues pruned to eliminate duplicates Z: 32 16.765 1.804 0.494 0.503 0.774 0.645 CB 1.439 32 residues pruned to eliminate duplicates Z: 25 20.515 1.868 0.549 0.563 0.917 0.625 CB 1.486 25 residues pruned to eliminate duplicates Z: 27 22.432 1.835 0.584 0.634 0.923 0.769 CB 1.447 27 residues pruned to eliminate duplicates Z: 6 6.517 1.859 0.127 0.741 1.000 0.800 CB 1.120 6 residues pruned to eliminate duplicates Z: 19 20.190 1.797 0.716 0.769 0.944 0.722 CB 1.288 19 residues pruned to eliminate duplicates Z: 8 10.022 1.610 0.573 0.779 0.857 0.714 CB 1.365 8 residues pruned to eliminate duplicates Z: 9 11.551 1.432 0.954 0.816 1.000 0.750 CB 1.109 7 residues pruned to eliminate duplicates Z: 9 9.423 1.516 0.655 0.763 0.875 0.625 O 1.202 9 residues pruned to eliminate duplicates Z: 7 9.329 1.570 0.709 0.818 0.833 0.833 N 1.293 7 residues pruned to eliminate duplicates Z: 10 9.157 1.396 0.737 0.666 1.000 0.444 CB 1.080 8 residues pruned to eliminate duplicates Z: 7 6.058 1.271 0.898 0.765 0.833 0.167 O 0.972 7 residues pruned to eliminate duplicates Z: 7 3.712 1.358 0.546 0.545 0.667 0.333 O 1.036 7 residues pruned to eliminate duplicates Z: 8 3.843 1.507 0.032 0.499 0.857 0.571 O 1.090 Z: 9 9.177 1.598 0.687 0.815 0.875 0.875 CB 1.046 14 residues pruned to eliminate duplicates Z: 7 8.262 1.683 0.232 0.888 1.000 1.000 CB 1.173 7 residues pruned to eliminate duplicates Z: 9 8.918 1.663 0.284 0.768 0.875 0.750 CB 1.331 9 residues pruned to eliminate duplicates Z: 10 9.647 1.670 0.317 0.735 1.000 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 9 10.171 1.674 0.322 0.780 1.000 0.625 CB 1.269 8 residues pruned to eliminate duplicates Z: 9 9.838 1.676 0.273 0.809 1.000 0.750 CB 1.245 9 residues pruned to eliminate duplicates Z: 9 10.525 1.680 0.473 0.774 1.000 0.750 CB 1.180 9 residues pruned to eliminate duplicates Z: 10 6.162 1.685 0.688 0.449 0.778 0.444 CB 0.978 Z: 9 4.562 1.596 0.326 0.632 0.875 0.750 CB 0.769 9 residues pruned to eliminate duplicates Z: 18 8.718 1.738 0.450 0.378 0.706 0.235 N 1.353 23 residues pruned to eliminate duplicates Z: 7 8.783 1.814 0.697 0.688 0.833 0.667 CB 1.176 4 residues pruned to eliminate duplicates Z: 9 7.845 1.844 0.290 0.765 0.875 0.625 CB 1.054 9 residues pruned to eliminate duplicates Z: 7 7.102 1.846 0.478 0.742 0.667 0.500 CB 1.284 6 residues pruned to eliminate duplicates Z: 9 9.104 1.834 0.560 0.773 0.875 0.750 CB 1.010 9 residues pruned to eliminate duplicates Z: 15 8.632 1.716 0.399 0.548 0.714 0.643 N 1.284 27 residues pruned to eliminate duplicates Z: 13 10.048 1.612 0.903 0.813 0.750 0.750 CB 0.960 13 residues pruned to eliminate duplicates Z: 16 12.963 1.782 0.795 0.721 0.867 0.667 CB 0.989 16 residues pruned to eliminate duplicates Z: 22 8.490 1.661 0.582 0.347 0.714 0.238 CB 1.165 22 residues pruned to eliminate duplicates Z: 16 10.565 1.760 0.508 0.513 0.800 0.333 CB 1.267 16 residues pruned to eliminate duplicates Z: 16 11.853 1.809 0.521 0.703 0.867 0.667 CB 1.067 16 residues pruned to eliminate duplicates Z: 15 12.785 1.863 0.674 0.549 0.857 0.571 CB 1.219 15 residues pruned to eliminate duplicates Z: 10 5.587 1.717 0.584 0.521 0.556 0.111 N 1.206 10 residues pruned to eliminate duplicates Z: 15 7.366 1.774 0.527 0.208 0.714 0.214 CB 1.437 15 residues pruned to eliminate duplicates Z: 20 15.901 1.816 0.596 0.604 0.895 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 20 10.791 1.692 0.655 0.426 0.789 0.368 CB 1.209 20 residues pruned to eliminate duplicates Z: 15 11.232 1.794 0.578 0.470 0.857 0.429 CB 1.276 15 residues pruned to eliminate duplicates Z: 16 11.953 1.769 0.702 0.453 0.933 0.467 CB 1.153 16 residues pruned to eliminate duplicates Z: 16 13.833 1.853 0.720 0.448 1.000 0.467 CB 1.182 16 residues pruned to eliminate duplicates Z: 13 11.603 1.821 0.518 0.437 0.917 0.583 CB 1.409 13 residues pruned to eliminate duplicates Z: 28 15.817 1.765 0.628 0.577 0.852 0.481 CB 1.155 27 residues pruned to eliminate duplicates Z: 9 6.278 1.697 0.437 0.809 0.875 0.625 CB 0.795 9 residues pruned to eliminate duplicates Z: 7 7.469 1.745 0.299 0.573 1.000 0.500 CB 1.253 7 residues pruned to eliminate duplicates Z: 11 6.752 1.639 0.438 0.644 0.900 0.700 CB 0.880 11 residues pruned to eliminate duplicates Z: 7 3.960 1.551 0.358 0.753 0.667 0.667 CB 0.918 7 residues pruned to eliminate duplicates Z: 11 9.022 1.627 0.580 0.708 0.900 0.700 CB 1.020 11 residues pruned to eliminate duplicates Z: 11 11.677 1.741 0.642 0.807 0.900 0.600 CB 1.098 11 residues pruned to eliminate duplicates Z: 12 11.224 1.678 0.511 0.765 0.909 0.545 CB 1.161 11 residues pruned to eliminate duplicates Z: 11 10.465 1.566 0.872 0.690 0.900 0.600 CB 1.054 11 residues pruned to eliminate duplicates Z: 14 8.935 1.720 0.454 0.457 0.846 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 17 9.862 1.681 0.386 0.475 0.938 0.750 CB 1.157 17 residues pruned to eliminate duplicates Z: 7 4.688 1.466 -0.013 0.756 1.000 0.500 O 1.054 7 residues pruned to eliminate duplicates Z: 19 10.639 1.652 0.559 0.497 0.889 0.722 CB 1.098 19 residues pruned to eliminate duplicates Z: 6 11.980 2.005 0.459 0.801 1.000 0.600 CB 1.408 18 residues pruned to eliminate duplicates Z: 7 14.658 1.859 0.714 0.835 1.000 0.833 CB 1.406 8 residues pruned to eliminate duplicates Z: 7 15.181 1.886 0.834 0.828 1.000 0.833 CB 1.349 6 residues pruned to eliminate duplicates Z: 12 7.614 1.601 0.914 0.666 0.909 0.455 CB 0.706 12 residues pruned to eliminate duplicates Z: 17 13.738 1.875 0.840 0.407 0.938 0.500 CB 1.170 27 residues pruned to eliminate duplicates Z: 8 10.276 1.931 0.288 0.718 1.000 0.714 CB 1.282 8 residues pruned to eliminate duplicates Z: 15 10.561 1.915 0.650 0.423 0.786 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 16 10.294 1.900 0.634 0.406 0.800 0.400 CB 1.181 16 residues pruned to eliminate duplicates Z: 25 13.879 1.779 0.801 0.407 0.750 0.667 CB 1.300 15 residues pruned to eliminate duplicates Z: 6 6.188 1.513 1.012 0.334 1.000 0.400 N 1.090 6 residues pruned to eliminate duplicates Z: 6 7.768 1.565 0.971 0.551 0.800 0.400 CB 1.339 Z: 7 8.152 1.569 0.801 0.803 0.833 0.500 CB 1.085 5 residues pruned to eliminate duplicates Z: 8 8.779 1.475 0.790 0.754 0.857 0.571 O 1.169 7 residues pruned to eliminate duplicates Z: 7 12.185 1.558 1.041 0.737 1.000 0.500 N 1.265 7 residues pruned to eliminate duplicates Z: 9 9.588 1.438 0.649 0.748 1.000 0.625 N 1.145 8 residues pruned to eliminate duplicates Z: 8 10.839 1.554 0.649 0.799 1.000 0.714 N 1.231 8 residues pruned to eliminate duplicates Z: 21 12.989 1.649 0.440 0.707 0.800 0.400 CB 1.267 29 residues pruned to eliminate duplicates Z: 21 11.956 1.652 0.497 0.749 0.800 0.450 CB 1.082 21 residues pruned to eliminate duplicates Z: 13 4.888 1.460 0.336 0.268 0.750 0.500 N 1.256 13 residues pruned to eliminate duplicates Z: 14 7.149 1.533 0.630 0.347 0.769 0.385 N 1.219 14 residues pruned to eliminate duplicates Z: 14 11.234 1.671 0.375 0.741 1.000 0.615 CB 1.093 13 residues pruned to eliminate duplicates Z: 15 7.763 1.466 0.671 0.784 0.929 0.643 CB 0.710 15 residues pruned to eliminate duplicates Z: 20 11.295 1.601 0.442 0.574 0.947 0.579 CB 1.103 20 residues pruned to eliminate duplicates Z: 18 8.780 1.629 0.393 0.549 0.824 0.529 CB 1.086 14 residues pruned to eliminate duplicates Z: 13 11.027 1.674 0.630 0.842 0.917 0.750 CB 0.949 18 residues pruned to eliminate duplicates Z: 19 12.534 1.520 0.816 0.771 0.778 0.667 CB 1.083 19 residues pruned to eliminate duplicates Z: 10 8.654 1.746 0.633 0.673 0.778 0.667 CB 1.109 10 residues pruned to eliminate duplicates Z: 20 5.722 1.617 0.310 0.341 0.684 0.474 CB 1.076 20 residues pruned to eliminate duplicates Z: 10 8.582 1.688 0.703 0.685 0.778 0.667 CB 1.079 Z: 13 8.081 1.593 0.615 0.644 0.833 0.500 CB 0.951 20 residues pruned to eliminate duplicates Z: 15 9.096 1.604 0.734 0.654 0.929 0.714 CB 0.815 12 residues pruned to eliminate duplicates Z: 13 12.376 1.643 0.514 0.815 0.917 0.750 CB 1.192 6 residues pruned to eliminate duplicates Z: 13 11.121 1.690 0.345 0.823 0.917 0.833 CB 1.165 13 residues pruned to eliminate duplicates Z: 6 7.373 1.746 0.545 0.850 1.000 1.000 CB 0.905 6 residues pruned to eliminate duplicates Z: 10 7.801 1.672 0.534 0.469 0.889 0.444 CB 1.177 9 residues pruned to eliminate duplicates Z: 12 14.560 1.586 0.609 0.906 1.000 0.909 CB 1.223 12 residues pruned to eliminate duplicates Z: 13 8.418 1.679 0.481 0.512 0.833 0.333 CB 1.159 13 residues pruned to eliminate duplicates Z: 15 11.263 1.652 0.502 0.686 0.857 0.714 CB 1.193 14 residues pruned to eliminate duplicates Z: 9 9.301 1.598 0.416 0.884 0.875 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 17 11.528 1.577 0.504 0.685 1.000 0.750 CB 1.025 17 residues pruned to eliminate duplicates Z: 11 12.406 1.664 0.644 0.894 1.000 1.000 CB 1.029 11 residues pruned to eliminate duplicates Z: 15 10.428 1.679 0.528 0.676 0.929 0.643 CB 0.995 15 residues pruned to eliminate duplicates Z: 11 12.650 1.584 0.773 0.863 1.000 0.600 CB 1.045 11 residues pruned to eliminate duplicates Z: 10 8.255 1.501 0.461 0.798 1.000 0.778 CB 0.967 9 residues pruned to eliminate duplicates Z: 12 13.289 1.621 0.643 0.894 1.000 1.000 CB 1.079 12 residues pruned to eliminate duplicates Z: 11 7.968 1.811 0.409 0.300 0.900 0.700 N 1.372 10 residues pruned to eliminate duplicates Z: 13 12.577 1.637 0.416 0.644 1.000 0.500 O 1.370 18 residues pruned to eliminate duplicates Z: 11 15.884 1.751 0.717 0.691 1.000 0.800 CB 1.404 11 residues pruned to eliminate duplicates Z: 11 9.576 1.805 0.495 0.423 0.800 0.500 O 1.521 11 residues pruned to eliminate duplicates Z: 13 9.677 1.736 0.476 0.446 0.833 0.500 O 1.382 13 residues pruned to eliminate duplicates Z: 10 11.988 1.872 0.510 0.497 0.889 0.667 CB 1.594 10 residues pruned to eliminate duplicates Z: 16 12.476 1.772 0.560 0.429 0.867 0.467 N 1.447 16 residues pruned to eliminate duplicates Z: 15 11.951 1.773 0.656 0.488 0.786 0.571 CB 1.402 15 residues pruned to eliminate duplicates Z: 15 13.837 1.747 0.582 0.589 0.929 0.714 O 1.323 15 residues pruned to eliminate duplicates Z: 15 16.403 1.759 0.689 0.590 1.000 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 19 13.393 1.702 0.596 0.631 0.944 0.778 CB 1.088 19 residues pruned to eliminate duplicates Z: 18 16.919 1.747 0.691 0.679 0.941 0.706 CB 1.253 18 residues pruned to eliminate duplicates Z: 15 11.594 1.633 0.338 0.907 0.929 0.786 CB 1.085 14 residues pruned to eliminate duplicates Z: 7 6.477 1.634 0.469 0.820 0.833 0.667 CB 1.002 6 residues pruned to eliminate duplicates Z: 15 12.379 1.605 0.669 0.860 0.929 0.643 CB 0.978 15 residues pruned to eliminate duplicates Z: 8 8.070 1.511 0.915 0.911 1.000 1.000 CB 0.747 8 residues pruned to eliminate duplicates Z: 9 4.856 1.641 0.213 0.387 0.750 0.500 N 1.297 9 residues pruned to eliminate duplicates Z: 8 3.932 1.567 0.705 0.775 0.714 0.429 CB 0.611 8 residues pruned to eliminate duplicates Z: 9 3.993 1.448 0.335 0.604 0.875 0.375 CB 0.756 9 residues pruned to eliminate duplicates Z: 11 3.709 1.543 0.093 0.535 0.700 0.200 CB 0.960 11 residues pruned to eliminate duplicates Z: 9 4.981 1.651 0.435 0.640 0.625 0.375 CB 1.043 9 residues pruned to eliminate duplicates Z: 11 11.333 1.790 0.314 0.847 1.000 0.800 CB 1.131 11 residues pruned to eliminate duplicates Z: 14 11.164 1.708 0.419 0.656 0.846 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 9 10.190 1.814 0.404 0.859 0.875 0.625 CB 1.190 9 residues pruned to eliminate duplicates Z: 8 12.972 1.853 0.628 0.768 0.857 0.857 CB 1.495 8 residues pruned to eliminate duplicates Z: 7 13.190 1.806 0.721 0.814 1.000 0.833 CB 1.318 7 residues pruned to eliminate duplicates Z: 8 12.725 1.856 0.602 0.792 0.857 0.571 CB 1.461 8 residues pruned to eliminate duplicates Z: 8 5.887 1.734 0.471 0.704 0.714 0.571 N 1.015 8 residues pruned to eliminate duplicates Z: 9 6.141 1.817 0.428 0.594 0.625 0.500 CB 1.224 9 residues pruned to eliminate duplicates Z: 15 10.434 1.681 0.666 0.623 0.857 0.429 CB 1.035 14 residues pruned to eliminate duplicates Z: 8 11.357 1.856 0.473 0.822 1.000 0.857 CB 1.187 8 residues pruned to eliminate duplicates Z: 9 4.274 1.712 0.921 0.228 0.625 0.125 CB 1.009 Z: 12 10.779 1.541 0.748 0.589 1.000 0.545 CB 1.108 15 residues pruned to eliminate duplicates Z: 10 9.055 1.491 0.750 0.694 0.889 0.556 CB 1.090 10 residues pruned to eliminate duplicates Z: 8 8.250 1.717 1.003 0.429 0.714 0.286 CB 1.366 8 residues pruned to eliminate duplicates Z: 11 6.639 1.645 0.550 0.450 0.700 0.500 CB 1.239 6 residues pruned to eliminate duplicates Z: 11 8.366 1.465 0.352 0.724 1.000 0.600 O 1.091 11 residues pruned to eliminate duplicates Z: 14 12.072 1.600 0.469 0.737 0.923 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 12 10.283 1.625 0.419 0.815 0.909 0.727 CB 1.125 12 residues pruned to eliminate duplicates Z: 14 11.830 1.582 0.534 0.738 0.923 0.615 CB 1.183 13 residues pruned to eliminate duplicates Z: 12 10.918 1.627 0.653 0.792 0.909 0.636 CB 1.042 12 residues pruned to eliminate duplicates Z: 12 12.665 1.651 0.522 0.853 1.000 0.909 CB 1.123 12 residues pruned to eliminate duplicates Z: 12 11.627 1.628 0.506 0.796 0.909 0.727 CB 1.214 12 residues pruned to eliminate duplicates Z: 13 13.540 1.612 0.530 0.778 1.000 0.750 CB 1.240 17 residues pruned to eliminate duplicates Z: 11 12.482 1.694 0.542 0.836 0.900 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 12 13.693 1.650 0.586 0.862 1.000 0.545 CB 1.159 12 residues pruned to eliminate duplicates Z: 11 12.456 1.688 0.698 0.791 0.800 0.600 CB 1.331 11 residues pruned to eliminate duplicates Z: 7 7.623 1.775 0.246 0.622 1.000 0.500 CB 1.254 Z: 14 14.480 1.620 0.595 0.858 1.000 0.769 CB 1.145 7 residues pruned to eliminate duplicates Z: 14 14.548 1.636 0.447 0.874 1.000 0.923 CB 1.240 19 residues pruned to eliminate duplicates Z: 14 15.036 1.621 0.589 0.857 1.000 0.846 CB 1.194 15 residues pruned to eliminate duplicates Z: 14 12.308 1.568 0.466 0.852 1.000 0.692 CB 1.098 14 residues pruned to eliminate duplicates Z: 15 10.931 1.574 0.430 0.717 1.000 0.571 CB 1.067 15 residues pruned to eliminate duplicates Z: 13 6.292 1.549 0.552 0.465 0.750 0.417 CB 1.044 13 residues pruned to eliminate duplicates Z: 9 7.724 1.491 0.675 0.677 0.875 0.750 O 1.062 9 residues pruned to eliminate duplicates Z: 7 11.495 1.455 0.942 0.874 1.000 1.000 CB 1.209 7 residues pruned to eliminate duplicates Z: 6 7.658 1.527 0.831 0.791 0.800 0.800 CB 1.186 6 residues pruned to eliminate duplicates Z: 7 4.535 1.565 0.380 0.670 0.667 0.167 CB 1.099 7 residues pruned to eliminate duplicates Z: 10 4.421 1.585 0.400 0.327 0.667 0.444 CB 1.204 7 residues pruned to eliminate duplicates 6 1.546 1.533 0.484 0.294 0.600 0.400 CB 0.639 ? Z: 11 10.200 1.887 0.266 0.731 1.000 0.700 CB 1.096 12 residues pruned to eliminate duplicates Z: 6 10.047 1.936 0.548 0.820 0.800 0.800 CB 1.420 6 residues pruned to eliminate duplicates Z: 9 9.088 1.898 0.456 0.381 0.875 0.250 CB 1.509 9 residues pruned to eliminate duplicates Z: 10 9.575 1.774 0.573 0.449 0.889 0.556 N 1.356 10 residues pruned to eliminate duplicates Z: 13 9.836 1.859 0.123 0.567 0.917 0.583 CB 1.390 24 residues pruned to eliminate duplicates Z: 11 12.257 1.959 0.441 0.597 0.900 0.600 CB 1.391 11 residues pruned to eliminate duplicates Z: 11 10.152 2.002 0.486 0.544 0.800 0.500 CB 1.291 11 residues pruned to eliminate duplicates Z: 12 10.216 1.964 0.402 0.528 0.818 0.636 CB 1.331 12 residues pruned to eliminate duplicates Z: 15 7.463 1.808 0.327 0.489 0.714 0.571 CB 1.177 Z: 20 16.010 1.733 0.563 0.692 0.895 0.632 CB 1.272 29 residues pruned to eliminate duplicates Z: 13 17.416 1.690 0.670 0.870 1.000 0.833 O 1.301 13 residues pruned to eliminate duplicates Z: 25 10.639 1.760 0.304 0.481 0.792 0.542 CB 1.219 25 residues pruned to eliminate duplicates Z: 17 8.183 1.763 0.298 0.481 0.688 0.375 CB 1.325 17 residues pruned to eliminate duplicates Z: 9 7.795 1.649 0.428 0.611 0.875 0.250 CB 1.205 9 residues pruned to eliminate duplicates Z: 16 7.201 1.773 0.460 0.288 0.800 0.533 CB 1.139 16 residues pruned to eliminate duplicates Z: 8 10.804 1.881 0.801 0.587 0.857 0.571 CB 1.293 Z: 11 8.283 1.616 0.452 0.576 0.800 0.300 N 1.297 19 residues pruned to eliminate duplicates Z: 26 11.973 1.738 0.527 0.412 0.800 0.600 CB 1.237 26 residues pruned to eliminate duplicates Z: 14 8.674 1.757 0.779 0.365 0.769 0.615 CB 1.157 14 residues pruned to eliminate duplicates Z: 22 10.739 1.663 0.603 0.425 0.810 0.476 CB 1.174 22 residues pruned to eliminate duplicates Z: 18 13.562 1.687 0.624 0.427 0.941 0.706 CB 1.377 18 residues pruned to eliminate duplicates Z: 16 11.066 1.720 0.629 0.415 0.867 0.267 N 1.286 16 residues pruned to eliminate duplicates Z: 19 10.845 1.714 0.441 0.430 0.889 0.556 CB 1.251 19 residues pruned to eliminate duplicates Z: 28 11.981 1.713 0.474 0.416 0.815 0.519 CB 1.224 28 residues pruned to eliminate duplicates Z: 19 11.484 1.785 0.354 0.498 0.778 0.444 CB 1.443 19 residues pruned to eliminate duplicates Z: 19 13.792 1.751 0.484 0.530 0.889 0.444 CB 1.366 19 residues pruned to eliminate duplicates Z: 8 7.795 1.739 0.473 0.434 0.857 0.429 CB 1.437 8 residues pruned to eliminate duplicates Z: 23 11.917 1.696 0.539 0.356 0.864 0.273 CB 1.317 23 residues pruned to eliminate duplicates Z: 17 5.761 1.613 0.368 0.382 0.688 0.188 CB 1.077 17 residues pruned to eliminate duplicates Z: 9 4.281 1.672 0.258 0.423 0.750 0.125 CB 1.039 9 residues pruned to eliminate duplicates Z: 10 4.713 1.852 0.031 0.444 0.667 0.333 CB 1.307 10 residues pruned to eliminate duplicates Z: 34 10.096 1.640 0.310 0.310 0.818 0.303 CB 1.234 34 residues pruned to eliminate duplicates Z: 38 18.108 1.748 0.472 0.500 0.892 0.541 CB 1.298 38 residues pruned to eliminate duplicates Z: 6 3.403 1.610 0.195 0.309 0.800 0.600 CB 1.222 6 residues pruned to eliminate duplicates Z: 29 13.848 1.745 0.366 0.437 0.893 0.464 N 1.312 29 residues pruned to eliminate duplicates Z: 10 6.432 1.743 0.087 0.530 0.889 0.778 N 1.237 10 residues pruned to eliminate duplicates Z: 19 6.761 1.638 0.414 0.373 0.722 0.333 CB 1.091 27 residues pruned to eliminate duplicates Z: 13 5.216 1.553 0.349 0.332 0.750 0.500 CB 1.152 13 residues pruned to eliminate duplicates Z: 10 4.709 1.605 0.039 0.460 0.889 0.444 CB 1.104 10 residues pruned to eliminate duplicates Z: 11 10.484 1.674 0.582 0.879 0.900 0.800 CB 1.009 10 residues pruned to eliminate duplicates Z: 12 12.184 1.647 0.590 0.873 1.000 0.909 CB 1.022 11 residues pruned to eliminate duplicates Z: 10 11.585 1.688 0.440 0.836 1.000 0.778 CB 1.189 10 residues pruned to eliminate duplicates Z: 11 9.541 1.670 0.376 0.795 0.900 0.800 CB 1.127 11 residues pruned to eliminate duplicates Z: 10 9.453 1.653 0.549 0.888 1.000 0.889 CB 0.886 10 residues pruned to eliminate duplicates Z: 7 9.072 1.743 0.284 0.689 1.000 0.833 CB 1.391 7 residues pruned to eliminate duplicates Z: 9 9.407 1.721 0.389 0.742 0.875 0.625 CB 1.281 9 residues pruned to eliminate duplicates Z: 12 8.235 1.630 0.324 0.748 0.909 0.818 CB 1.015 12 residues pruned to eliminate duplicates Z: 9 5.447 1.619 0.487 0.622 0.875 0.500 CB 0.815 9 residues pruned to eliminate duplicates Z: 8 7.868 1.663 0.526 0.826 1.000 1.000 CB 0.884 6 residues pruned to eliminate duplicates Z: 10 11.902 1.633 0.572 0.873 1.000 0.889 CB 1.125 11 residues pruned to eliminate duplicates Z: 7 4.075 1.460 0.176 0.670 0.833 0.667 O 0.993 6 residues pruned to eliminate duplicates Z: 6 5.880 1.520 0.306 0.638 1.000 0.600 O 1.164 6 residues pruned to eliminate duplicates Z: 9 5.005 1.377 0.301 0.569 0.875 0.375 N 1.056 9 residues pruned to eliminate duplicates Z: 15 6.499 1.413 0.208 0.472 0.929 0.357 CB 1.127 12 residues pruned to eliminate duplicates Z: 12 5.189 1.314 0.262 0.756 0.727 0.455 CB 1.032 12 residues pruned to eliminate duplicates Z: 10 6.277 1.478 0.409 0.655 0.778 0.556 CB 1.119 14 residues pruned to eliminate duplicates Z: 11 5.855 1.355 0.525 0.693 0.800 0.500 CB 0.939 11 residues pruned to eliminate duplicates Z: 10 3.727 1.331 0.436 0.598 0.556 0.444 O 1.065 10 residues pruned to eliminate duplicates Z: 10 5.577 1.737 0.185 0.530 0.778 0.667 CB 1.127 10 residues pruned to eliminate duplicates Z: 8 8.637 1.967 0.497 0.561 0.857 0.429 CB 1.220 8 residues pruned to eliminate duplicates Z: 9 7.355 1.885 0.436 0.479 0.875 0.625 CB 1.121 21 residues pruned to eliminate duplicates Z: 11 11.092 1.593 0.633 0.734 0.900 0.700 CB 1.213 9 residues pruned to eliminate duplicates Z: 11 13.421 1.730 0.451 0.812 1.000 0.700 CB 1.289 12 residues pruned to eliminate duplicates Z: 9 13.516 1.613 0.641 0.912 1.000 0.750 O 1.278 10 residues pruned to eliminate duplicates Z: 10 13.934 1.684 0.581 0.898 1.000 1.000 CB 1.248 10 residues pruned to eliminate duplicates Z: 9 13.496 1.686 0.701 0.879 1.000 0.625 CB 1.206 9 residues pruned to eliminate duplicates Z: 12 8.541 1.618 0.412 0.651 0.818 0.727 CB 1.197 12 residues pruned to eliminate duplicates Z: 13 11.871 1.629 0.442 0.655 0.917 0.500 CB 1.377 13 residues pruned to eliminate duplicates Z: 9 11.939 1.762 0.601 0.778 0.875 0.875 CB 1.337 9 residues pruned to eliminate duplicates Z: 10 10.603 1.671 0.611 0.710 0.889 0.667 CB 1.220 8 residues pruned to eliminate duplicates Z: 11 11.307 1.609 0.624 0.843 1.000 0.800 CB 1.019 12 residues pruned to eliminate duplicates Z: 14 14.228 1.678 0.643 0.762 0.923 0.769 O 1.229 15 residues pruned to eliminate duplicates Z: 14 15.709 1.727 0.602 0.901 0.923 0.692 CB 1.218 13 residues pruned to eliminate duplicates Z: 11 12.637 1.673 0.634 0.784 1.000 0.500 CB 1.139 11 residues pruned to eliminate duplicates Z: 12 10.379 1.885 0.432 0.591 0.909 0.636 CB 1.169 12 residues pruned to eliminate duplicates Z: 12 10.289 1.855 0.473 0.513 1.000 0.545 CB 1.120 12 residues pruned to eliminate duplicates Z: 13 6.961 1.770 0.202 0.511 0.833 0.417 CB 1.122 13 residues pruned to eliminate duplicates Z: 10 11.856 1.877 0.576 0.535 1.000 0.556 CB 1.291 10 residues pruned to eliminate duplicates Z: 14 11.229 1.853 0.476 0.490 0.769 0.308 CB 1.494 14 residues pruned to eliminate duplicates Z: 11 6.947 1.899 0.515 0.518 0.700 0.300 CB 1.072 11 residues pruned to eliminate duplicates Z: 12 12.706 1.901 0.609 0.537 1.000 0.455 CB 1.208 12 residues pruned to eliminate duplicates Z: 16 11.303 1.783 0.658 0.442 0.867 0.400 CB 1.209 16 residues pruned to eliminate duplicates Z: 21 13.278 1.760 0.499 0.470 0.950 0.600 CB 1.221 21 residues pruned to eliminate duplicates Z: 15 11.824 1.894 0.464 0.502 0.929 0.714 CB 1.225 15 residues pruned to eliminate duplicates Z: 26 11.796 1.732 0.491 0.405 0.840 0.560 CB 1.201 26 residues pruned to eliminate duplicates Z: 30 17.746 1.832 0.482 0.559 0.862 0.690 CB 1.330 30 residues pruned to eliminate duplicates Z: 28 15.886 1.780 0.555 0.423 0.852 0.593 CB 1.404 28 residues pruned to eliminate duplicates Z: 15 18.902 1.909 0.580 0.767 0.929 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 13 19.158 1.976 0.698 0.687 0.917 0.667 CB 1.514 13 residues pruned to eliminate duplicates Z: 12 8.918 1.752 0.554 0.538 0.818 0.455 CB 1.163 12 residues pruned to eliminate duplicates Z: 9 9.401 1.878 0.605 0.637 0.750 0.625 CB 1.293 9 residues pruned to eliminate duplicates Z: 28 20.802 1.865 0.508 0.644 0.963 0.741 CB 1.292 28 residues pruned to eliminate duplicates Z: 16 14.064 1.883 0.724 0.620 0.733 0.667 CB 1.362 16 residues pruned to eliminate duplicates Z: 16 20.373 1.868 0.685 0.849 0.933 0.733 CB 1.328 16 residues pruned to eliminate duplicates Z: 17 23.292 1.937 0.621 0.854 0.938 0.812 CB 1.461 17 residues pruned to eliminate duplicates Z: 15 16.936 1.896 0.602 0.764 0.857 0.571 N 1.376 15 residues pruned to eliminate duplicates Z: 23 18.819 1.861 0.596 0.688 0.818 0.636 CB 1.389 23 residues pruned to eliminate duplicates Z: 31 25.203 1.873 0.763 0.688 0.867 0.700 CB 1.354 31 residues pruned to eliminate duplicates Z: 19 29.038 1.967 0.774 0.874 1.000 0.667 CB 1.427 19 residues pruned to eliminate duplicates Z: 32 26.618 1.893 0.564 0.752 0.903 0.774 CB 1.428 32 residues pruned to eliminate duplicates Z: 32 24.274 1.884 0.560 0.673 0.968 0.710 CB 1.306 32 residues pruned to eliminate duplicates Z: 20 22.972 1.943 0.724 0.764 0.842 0.737 CB 1.478 20 residues pruned to eliminate duplicates Z: 20 16.989 1.875 0.669 0.656 0.737 0.632 N 1.462 20 residues pruned to eliminate duplicates Z: 23 13.626 1.847 0.431 0.412 0.864 0.455 N 1.395 23 residues pruned to eliminate duplicates Z: 21 25.217 1.937 0.843 0.788 0.900 0.550 CB 1.362 21 residues pruned to eliminate duplicates Z: 37 17.597 1.767 0.676 0.492 0.806 0.389 CB 1.239 37 residues pruned to eliminate duplicates Z: 8 8.489 1.663 0.610 0.383 1.000 0.571 N 1.357 8 residues pruned to eliminate duplicates Z: 24 18.327 1.884 0.652 0.574 0.826 0.435 CB 1.384 24 residues pruned to eliminate duplicates Z: 17 14.296 1.828 0.491 0.517 0.938 0.562 CB 1.375 17 residues pruned to eliminate duplicates Z: 27 18.791 1.892 0.753 0.546 0.808 0.385 CB 1.315 27 residues pruned to eliminate duplicates Z: 27 20.908 1.846 0.689 0.673 0.846 0.615 CB 1.326 27 residues pruned to eliminate duplicates Z: 29 12.598 1.773 0.546 0.452 0.714 0.429 CB 1.278 29 residues pruned to eliminate duplicates Z: 24 14.011 1.815 0.629 0.468 0.783 0.609 CB 1.304 24 residues pruned to eliminate duplicates Z: 16 10.127 1.799 0.291 0.489 0.800 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 24 11.356 1.771 0.509 0.408 0.739 0.435 CB 1.319 24 residues pruned to eliminate duplicates Z: 19 11.509 1.836 0.521 0.443 0.778 0.444 CB 1.325 19 residues pruned to eliminate duplicates Z: 20 8.000 1.642 0.252 0.399 0.737 0.474 CB 1.348 12 residues pruned to eliminate duplicates Z: 8 8.279 1.897 0.143 0.840 1.000 0.857 CB 1.076 Z: 7 9.032 1.885 0.428 0.880 1.000 0.833 CB 0.993 7 residues pruned to eliminate duplicates Z: 8 5.295 1.806 0.064 0.801 0.857 0.857 CB 0.934 8 residues pruned to eliminate duplicates Z: 8 8.174 1.913 0.090 0.882 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 6 6.566 1.866 0.346 0.852 1.000 1.000 CB 0.864 6 residues pruned to eliminate duplicates Z: 6 5.119 1.805 0.512 0.875 0.800 0.400 CB 0.762 6 residues pruned to eliminate duplicates Z: 10 3.565 1.712 0.385 0.560 0.667 0.556 CB 0.709 7 residues pruned to eliminate duplicates Z: 13 14.394 1.879 0.323 0.855 1.000 0.833 CB 1.234 12 residues pruned to eliminate duplicates Z: 15 11.892 1.725 0.364 0.873 0.929 0.786 CB 1.059 15 residues pruned to eliminate duplicates Z: 12 13.989 1.818 0.462 0.888 1.000 1.000 CB 1.143 12 residues pruned to eliminate duplicates Z: 8 10.276 1.942 0.452 0.879 1.000 0.857 CB 0.999 8 residues pruned to eliminate duplicates Z: 11 11.689 1.884 0.287 0.828 0.900 0.900 CB 1.275 11 residues pruned to eliminate duplicates Z: 9 11.742 1.880 0.242 0.800 0.875 0.625 CB 1.563 9 residues pruned to eliminate duplicates Z: 12 11.366 1.833 0.368 0.668 0.909 0.545 CB 1.287 12 residues pruned to eliminate duplicates Z: 14 10.320 1.794 0.298 0.636 0.846 0.538 CB 1.279 14 residues pruned to eliminate duplicates Z: 12 12.318 1.822 0.224 0.800 1.000 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 18 8.140 1.651 0.328 0.544 0.765 0.529 CB 1.128 18 residues pruned to eliminate duplicates Z: 10 13.244 1.893 0.226 0.850 1.000 0.889 CB 1.409 10 residues pruned to eliminate duplicates Z: 15 10.474 1.759 0.372 0.451 0.857 0.286 CB 1.423 Z: 7 4.499 1.467 0.136 0.512 1.000 0.167 O 1.089 7 residues pruned to eliminate duplicates Z: 6 2.391 1.410 -0.058 0.394 0.800 0.600 O 1.126 6 residues pruned to eliminate duplicates Z: 12 7.236 1.780 0.269 0.390 0.818 0.273 N 1.326 12 residues pruned to eliminate duplicates Z: 10 7.022 1.764 0.303 0.642 0.778 0.444 CB 1.146 10 residues pruned to eliminate duplicates Z: 13 5.595 1.652 0.429 0.282 0.750 0.167 CB 1.167 13 residues pruned to eliminate duplicates Z: 10 5.415 1.749 0.446 0.358 0.667 0.333 CB 1.248 10 residues pruned to eliminate duplicates Z: 22 10.847 1.701 0.449 0.514 0.810 0.524 CB 1.170 16 residues pruned to eliminate duplicates Z: 15 9.365 1.701 0.346 0.727 0.857 0.643 CB 1.040 15 residues pruned to eliminate duplicates Z: 18 11.855 1.683 0.454 0.607 0.824 0.176 CB 1.289 18 residues pruned to eliminate duplicates Z: 20 11.731 1.735 0.500 0.656 0.789 0.526 CB 1.133 26 residues pruned to eliminate duplicates Z: 15 7.528 1.591 0.621 0.746 0.929 0.714 CB 0.674 15 residues pruned to eliminate duplicates Z: 11 7.542 1.761 0.371 0.703 0.900 0.600 CB 0.912 11 residues pruned to eliminate duplicates Z: 9 4.455 1.652 0.477 0.732 0.750 0.500 CB 0.699 9 residues pruned to eliminate duplicates Z: 21 10.483 1.647 0.346 0.496 0.900 0.500 CB 1.179 20 residues pruned to eliminate duplicates Z: 11 10.893 1.569 0.728 0.878 1.000 0.700 CB 0.923 13 residues pruned to eliminate duplicates Z: 12 10.565 1.681 0.391 0.895 1.000 1.000 CB 0.976 11 residues pruned to eliminate duplicates Z: 17 11.953 1.680 0.521 0.818 0.875 0.625 CB 1.013 17 residues pruned to eliminate duplicates Z: 15 4.931 1.698 0.367 0.258 0.714 0.286 CB 1.049 15 residues pruned to eliminate duplicates Z: 15 7.824 1.749 0.461 0.308 0.857 0.500 CB 1.181 15 residues pruned to eliminate duplicates Z: 15 6.824 1.739 0.467 0.406 0.786 0.500 CB 1.005 15 residues pruned to eliminate duplicates Z: 15 8.580 1.698 0.447 0.351 0.929 0.357 CB 1.182 15 residues pruned to eliminate duplicates Z: 15 7.754 1.656 0.513 0.387 0.786 0.571 CB 1.186 26 residues pruned to eliminate duplicates Z: 8 9.939 1.827 0.632 0.826 0.857 0.714 CB 1.108 11 residues pruned to eliminate duplicates Z: 9 10.270 1.639 0.568 0.879 1.000 0.875 CB 1.024 7 residues pruned to eliminate duplicates Z: 7 8.488 1.829 0.336 0.847 1.000 1.000 CB 1.052 7 residues pruned to eliminate duplicates Z: 19 8.864 1.655 0.575 0.375 0.889 0.611 CB 1.031 18 residues pruned to eliminate duplicates Z: 8 6.965 1.779 0.779 0.685 0.857 0.714 CB 0.819 8 residues pruned to eliminate duplicates Z: 12 6.820 1.637 0.292 0.478 0.727 0.636 CB 1.367 Z: 6 2.394 1.912 -0.087 0.611 0.800 0.800 CB 0.690 4 residues pruned to eliminate duplicates Z: 9 10.151 1.720 0.408 0.558 1.000 0.625 CB 1.400 19 residues pruned to eliminate duplicates Z: 9 5.346 1.618 0.691 0.723 0.625 0.625 CB 0.903 9 residues pruned to eliminate duplicates Z: 9 6.686 1.705 0.741 0.564 0.750 0.500 CB 0.998 9 residues pruned to eliminate duplicates Z: 11 10.516 1.662 0.637 0.665 1.000 0.600 CB 1.049 11 residues pruned to eliminate duplicates Z: 13 9.663 1.534 0.614 0.799 1.000 0.417 CB 0.868 10 residues pruned to eliminate duplicates Z: 13 10.652 1.561 0.679 0.870 1.000 0.833 CB 0.856 13 residues pruned to eliminate duplicates Z: 14 10.510 1.549 0.620 0.825 1.000 0.692 CB 0.877 13 residues pruned to eliminate duplicates Z: 19 10.360 1.511 0.556 0.802 0.889 0.722 CB 0.898 19 residues pruned to eliminate duplicates Z: 8 3.382 1.577 0.461 0.459 0.857 0.429 CB 0.675 7 residues pruned to eliminate duplicates Z: 9 2.782 1.362 0.419 0.809 0.375 0.000 CB 1.037 Z: 9 5.612 1.350 0.674 0.790 0.875 0.375 CB 0.778 Z: 10 7.949 1.324 0.643 0.862 1.000 0.778 CB 0.895 9 residues pruned to eliminate duplicates Z: 11 4.974 1.202 0.693 0.690 0.800 0.600 CB 0.812 11 residues pruned to eliminate duplicates Z: 9 2.974 1.292 0.597 0.491 0.750 0.250 CB 0.686 9 residues pruned to eliminate duplicates Z: 7 4.609 1.297 0.916 0.533 0.833 0.333 CB 0.879 Z: 8 5.025 1.387 0.768 0.636 0.857 0.429 CB 0.795 7 residues pruned to eliminate duplicates Z: 7 2.788 1.475 0.545 0.368 0.667 0.167 O 0.864 Z: 6 2.725 1.583 -0.065 0.303 0.800 0.400 O 1.282 4 residues pruned to eliminate duplicates Z: 6 3.373 1.640 0.408 0.617 1.000 0.600 CB 0.585 Z: 10 5.106 1.576 0.606 0.342 0.667 0.444 O 1.198 9 residues pruned to eliminate duplicates 6 1.983 1.482 0.585 0.103 0.600 0.400 O 1.044 ? Z: 12 8.271 1.784 0.462 0.535 0.818 0.727 CB 1.130 7 residues pruned to eliminate duplicates Z: 9 8.191 1.867 0.265 0.775 1.000 1.000 CB 0.961 9 residues pruned to eliminate duplicates Z: 10 11.674 1.583 0.564 0.886 1.000 0.667 O 1.134 12 residues pruned to eliminate duplicates Z: 9 13.910 1.707 0.647 0.905 1.000 0.875 O 1.246 10 residues pruned to eliminate duplicates Z: 10 11.878 1.576 0.715 0.803 0.889 0.556 O 1.265 10 residues pruned to eliminate duplicates Z: 20 9.294 1.895 0.407 0.394 0.737 0.211 CB 1.213 24 residues pruned to eliminate duplicates Z: 6 10.305 1.880 0.420 0.857 1.000 1.000 CB 1.271 6 residues pruned to eliminate duplicates Z: 18 8.373 1.767 0.336 0.355 0.765 0.471 CB 1.315 11 residues pruned to eliminate duplicates Z: 16 12.846 1.823 0.499 0.647 0.867 0.600 CB 1.222 16 residues pruned to eliminate duplicates Z: 16 8.166 1.706 0.377 0.396 0.800 0.333 CB 1.252 16 residues pruned to eliminate duplicates Z: 18 11.780 1.856 0.278 0.553 0.882 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 12 6.892 1.908 0.409 0.321 0.636 0.273 CB 1.479 12 residues pruned to eliminate duplicates Z: 14 7.592 1.864 0.232 0.557 0.692 0.462 O 1.253 14 residues pruned to eliminate duplicates Z: 17 10.791 1.846 0.240 0.608 0.750 0.375 CB 1.418 17 residues pruned to eliminate duplicates Z: 16 10.951 1.895 0.351 0.489 0.867 0.600 CB 1.289 16 residues pruned to eliminate duplicates Z: 12 11.912 1.893 0.698 0.848 1.000 0.818 CB 0.829 9 residues pruned to eliminate duplicates Z: 10 12.448 1.868 0.705 0.800 1.000 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 8 7.116 1.906 0.962 0.775 0.857 0.571 CB 0.658 8 residues pruned to eliminate duplicates Z: 21 14.007 1.905 0.583 0.570 0.800 0.600 CB 1.213 21 residues pruned to eliminate duplicates Z: 12 10.406 1.860 0.725 0.755 0.909 0.636 CB 0.857 12 residues pruned to eliminate duplicates Z: 20 12.049 1.881 0.594 0.597 0.737 0.684 CB 1.140 20 residues pruned to eliminate duplicates Z: 21 13.800 1.860 0.624 0.661 0.850 0.650 CB 1.035 21 residues pruned to eliminate duplicates Z: 6 4.309 1.744 0.748 0.861 0.800 0.200 CB 0.580 6 residues pruned to eliminate duplicates Z: 11 4.807 1.778 0.288 0.469 0.600 0.100 CB 1.142 Z: 14 8.636 1.786 0.701 0.470 0.846 0.462 CB 0.961 13 residues pruned to eliminate duplicates Z: 10 18.868 1.971 1.135 0.755 0.889 0.667 CB 1.340 10 residues pruned to eliminate duplicates Z: 16 12.124 1.730 0.711 0.559 0.800 0.400 CB 1.248 19 residues pruned to eliminate duplicates Z: 14 18.881 1.698 1.196 0.777 0.923 0.846 O 1.191 14 residues pruned to eliminate duplicates Z: 14 21.627 1.882 0.938 0.652 1.000 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 20 19.757 1.927 0.848 0.652 0.842 0.526 CB 1.313 20 residues pruned to eliminate duplicates Z: 20 15.770 1.835 0.814 0.619 0.789 0.421 CB 1.230 20 residues pruned to eliminate duplicates Z: 18 18.741 1.918 0.729 0.601 0.882 0.588 CB 1.411 18 residues pruned to eliminate duplicates Z: 16 21.394 1.937 0.859 0.716 0.933 0.733 CB 1.352 16 residues pruned to eliminate duplicates Z: 26 14.649 1.901 0.652 0.504 0.800 0.360 CB 1.161 26 residues pruned to eliminate duplicates Z: 16 17.460 2.015 0.899 0.714 0.800 0.533 CB 1.213 16 residues pruned to eliminate duplicates Z: 17 24.041 1.983 0.906 0.719 0.938 0.500 CB 1.391 17 residues pruned to eliminate duplicates Z: 18 18.169 2.008 0.783 0.610 0.882 0.412 CB 1.257 18 residues pruned to eliminate duplicates Z: 16 16.258 1.962 0.857 0.695 0.800 0.400 CB 1.205 16 residues pruned to eliminate duplicates Z: 21 15.630 1.956 0.805 0.605 0.750 0.200 CB 1.194 21 residues pruned to eliminate duplicates Z: 23 18.512 1.968 0.756 0.602 0.818 0.455 CB 1.266 23 residues pruned to eliminate duplicates Z: 8 7.198 1.986 0.585 0.488 0.714 0.429 CB 1.225 Z: 8 6.527 1.450 0.440 0.467 1.000 0.571 CB 1.221 8 residues pruned to eliminate duplicates Z: 7 4.176 1.418 0.542 0.376 0.833 0.667 O 1.068 7 residues pruned to eliminate duplicates Z: 29 17.182 1.964 0.716 0.513 0.750 0.500 CB 1.268 29 residues pruned to eliminate duplicates Z: 11 5.929 1.929 0.672 0.198 0.600 0.300 CB 1.389 7 residues pruned to eliminate duplicates Z: 6 4.445 1.744 0.517 0.327 0.800 0.400 CB 1.136 6 residues pruned to eliminate duplicates Z: 11 7.739 1.978 0.323 0.305 0.800 0.300 CB 1.453 11 residues pruned to eliminate duplicates Z: 10 7.549 1.790 0.358 0.683 0.778 0.556 CB 1.124 10 residues pruned to eliminate duplicates Z: 8 9.282 1.891 0.195 0.856 1.000 0.857 O 1.145 8 residues pruned to eliminate duplicates Z: 13 7.348 1.885 0.307 0.441 0.750 0.500 CB 1.220 13 residues pruned to eliminate duplicates Z: 11 10.754 1.827 0.241 0.909 1.000 1.000 O 1.065 14 residues pruned to eliminate duplicates Z: 10 7.378 1.777 0.620 0.764 0.889 0.556 CB 0.760 10 residues pruned to eliminate duplicates Z: 11 7.907 1.746 0.444 0.663 0.700 0.400 CB 1.218 11 residues pruned to eliminate duplicates Z: 18 9.288 1.769 0.300 0.564 0.706 0.353 CB 1.304 16 residues pruned to eliminate duplicates Z: 14 13.054 1.831 0.344 0.871 1.000 0.692 CB 1.073 14 residues pruned to eliminate duplicates Z: 12 12.428 1.850 0.519 0.885 0.909 0.909 CB 1.060 12 residues pruned to eliminate duplicates Z: 14 12.549 1.809 0.389 0.710 0.923 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 8 5.300 1.636 0.425 0.674 0.714 0.429 N 1.025 8 residues pruned to eliminate duplicates Z: 14 8.970 1.757 0.387 0.686 0.692 0.308 CB 1.244 14 residues pruned to eliminate duplicates Z: 15 7.601 1.773 0.431 0.673 0.786 0.429 CB 0.869 15 residues pruned to eliminate duplicates Z: 6 3.351 1.972 0.437 0.395 0.400 0.400 CB 1.477 6 residues pruned to eliminate duplicates Z: 7 7.966 1.887 0.294 0.701 0.833 0.333 N 1.331 7 residues pruned to eliminate duplicates Z: 21 14.346 1.855 0.353 0.587 0.850 0.750 CB 1.384 21 residues pruned to eliminate duplicates Z: 11 12.951 1.852 0.472 0.636 0.900 0.600 N 1.469 11 residues pruned to eliminate duplicates Z: 27 19.994 1.908 0.601 0.613 0.962 0.577 CB 1.199 25 residues pruned to eliminate duplicates Z: 14 21.256 1.916 0.519 0.873 1.000 0.769 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 19.738 1.935 0.518 0.791 0.929 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 22 15.911 1.899 0.398 0.555 0.857 0.524 CB 1.447 22 residues pruned to eliminate duplicates Z: 14 18.110 1.940 0.516 0.741 0.923 0.615 CB 1.491 14 residues pruned to eliminate duplicates Z: 24 14.175 1.847 0.444 0.527 0.826 0.565 CB 1.307 24 residues pruned to eliminate duplicates Z: 25 13.876 1.824 0.368 0.565 0.875 0.542 CB 1.218 25 residues pruned to eliminate duplicates Z: 18 18.182 1.929 0.390 0.630 0.941 0.588 CB 1.547 18 residues pruned to eliminate duplicates Z: 33 23.330 1.920 0.521 0.588 0.906 0.438 CB 1.432 33 residues pruned to eliminate duplicates Z: 26 19.539 1.837 0.603 0.556 0.960 0.640 CB 1.310 26 residues pruned to eliminate duplicates Z: 23 19.417 1.863 0.699 0.628 0.909 0.545 CB 1.275 23 residues pruned to eliminate duplicates Z: 10 9.764 1.807 1.066 0.394 1.000 0.889 CB 0.975 10 residues pruned to eliminate duplicates Z: 7 6.186 1.819 0.623 0.407 0.833 0.500 CB 1.131 7 residues pruned to eliminate duplicates Z: 14 8.724 1.793 0.389 0.444 0.692 0.385 CB 1.487 14 residues pruned to eliminate duplicates Z: 21 12.849 1.870 0.429 0.497 0.850 0.550 CB 1.269 21 residues pruned to eliminate duplicates Z: 38 22.390 1.925 0.636 0.574 0.838 0.622 CB 1.300 38 residues pruned to eliminate duplicates Z: 22 8.470 1.888 0.394 0.404 0.952 0.762 CB 0.816 22 residues pruned to eliminate duplicates Z: 38 27.624 1.997 0.552 0.641 0.919 0.622 CB 1.397 38 residues pruned to eliminate duplicates Z: 18 10.174 1.910 0.404 0.435 0.882 0.471 CB 1.116 18 residues pruned to eliminate duplicates Z: 25 14.856 1.818 0.558 0.554 0.833 0.542 CB 1.219 25 residues pruned to eliminate duplicates Z: 26 10.680 1.832 0.308 0.439 0.800 0.440 CB 1.187 26 residues pruned to eliminate duplicates Z: 35 18.575 1.887 0.489 0.610 0.794 0.559 CB 1.286 35 residues pruned to eliminate duplicates Z: 23 23.093 2.058 0.521 0.805 0.909 0.727 CB 1.325 23 residues pruned to eliminate duplicates Z: 36 19.846 1.879 0.625 0.536 0.829 0.514 CB 1.280 36 residues pruned to eliminate duplicates Z: 18 27.657 2.022 0.844 0.739 0.882 0.706 CB 1.646 18 residues pruned to eliminate duplicates Z: 19 20.721 1.903 0.978 0.632 0.889 0.500 CB 1.289 19 residues pruned to eliminate duplicates Z: 17 20.190 1.965 0.828 0.722 0.812 0.500 CB 1.415 17 residues pruned to eliminate duplicates Z: 29 21.562 1.923 0.697 0.595 0.857 0.429 CB 1.330 29 residues pruned to eliminate duplicates Z: 28 25.155 1.886 0.880 0.573 0.926 0.481 CB 1.374 28 residues pruned to eliminate duplicates Z: 19 22.219 1.981 0.844 0.675 0.889 0.500 CB 1.373 19 residues pruned to eliminate duplicates Z: 34 29.057 1.979 0.753 0.681 0.939 0.515 CB 1.314 34 residues pruned to eliminate duplicates Z: 30 30.586 1.959 0.979 0.676 0.897 0.379 CB 1.389 30 residues pruned to eliminate duplicates Z: 31 27.608 1.985 0.919 0.640 0.933 0.600 CB 1.243 31 residues pruned to eliminate duplicates Z: 30 30.056 1.983 0.885 0.706 0.897 0.483 CB 1.382 30 residues pruned to eliminate duplicates Z: 40 26.915 1.936 0.886 0.696 0.769 0.462 CB 1.283 40 residues pruned to eliminate duplicates Z: 24 36.592 2.030 1.014 0.772 0.957 0.652 CB 1.533 24 residues pruned to eliminate duplicates Z: 46 34.623 1.963 0.855 0.678 0.933 0.533 CB 1.289 53 residues pruned to eliminate duplicates Z: 25 37.450 1.924 0.953 0.893 1.000 0.542 CB 1.461 25 residues pruned to eliminate duplicates Z: 49 27.063 1.906 0.707 0.558 0.896 0.500 CB 1.267 49 residues pruned to eliminate duplicates Z: 16 15.971 1.860 0.991 0.595 0.800 0.333 CB 1.272 16 residues pruned to eliminate duplicates Z: 49 36.138 1.943 0.789 0.671 0.917 0.479 CB 1.398 49 residues pruned to eliminate duplicates Z: 54 37.009 1.955 0.812 0.691 0.906 0.547 CB 1.331 54 residues pruned to eliminate duplicates Z: 31 21.049 1.901 0.721 0.630 0.767 0.533 CB 1.356 31 residues pruned to eliminate duplicates Z: 10 8.742 1.771 0.859 0.508 0.778 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 48 28.381 1.929 0.729 0.560 0.830 0.596 CB 1.411 48 residues pruned to eliminate duplicates Z: 31 30.544 1.959 1.067 0.690 0.867 0.500 CB 1.335 31 residues pruned to eliminate duplicates Z: 11 6.243 1.806 0.851 0.371 0.500 0.200 CB 1.356 11 residues pruned to eliminate duplicates Z: 28 28.323 1.970 1.008 0.571 0.889 0.444 CB 1.447 28 residues pruned to eliminate duplicates Z: 15 7.329 1.832 0.592 0.376 0.643 0.357 CB 1.193 15 residues pruned to eliminate duplicates Z: 32 12.726 1.901 0.426 0.443 0.839 0.581 CB 1.066 29 residues pruned to eliminate duplicates Z: 6 4.844 1.508 0.623 0.415 1.000 0.400 CB 0.967 6 residues pruned to eliminate duplicates Z: 22 14.319 1.955 0.416 0.590 0.857 0.571 CB 1.209 22 residues pruned to eliminate duplicates Z: 13 19.483 2.066 0.518 0.873 1.000 0.833 CB 1.306 13 residues pruned to eliminate duplicates Z: 14 8.427 1.831 0.322 0.513 0.769 0.538 CB 1.239 14 residues pruned to eliminate duplicates Z: 46 28.039 1.969 0.537 0.658 0.933 0.644 CB 1.278 46 residues pruned to eliminate duplicates Z: 22 10.474 1.766 0.363 0.545 0.857 0.571 CB 1.060 22 residues pruned to eliminate duplicates Z: 26 12.158 1.867 0.320 0.504 0.840 0.640 CB 1.169 26 residues pruned to eliminate duplicates Z: 12 16.002 2.010 0.547 0.769 0.909 0.727 CB 1.345 12 residues pruned to eliminate duplicates Z: 28 19.984 1.883 0.603 0.622 0.889 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 20 15.234 1.943 0.455 0.682 0.895 0.789 CB 1.169 24 residues pruned to eliminate duplicates Z: 12 17.743 2.081 0.595 0.806 0.909 0.727 CB 1.357 12 residues pruned to eliminate duplicates Z: 46 30.322 1.968 0.809 0.703 0.800 0.511 CB 1.319 46 residues pruned to eliminate duplicates Z: 13 17.565 1.837 0.803 0.822 1.000 0.667 CB 1.158 13 residues pruned to eliminate duplicates Z: 73 31.438 1.924 0.667 0.573 0.833 0.431 CB 1.291 66 residues pruned to eliminate duplicates Z: 13 15.379 2.070 0.411 0.770 0.917 0.750 CB 1.305 13 residues pruned to eliminate duplicates Z: 25 18.427 1.962 0.576 0.569 0.875 0.583 CB 1.300 25 residues pruned to eliminate duplicates Z: 34 18.617 1.919 0.567 0.524 0.818 0.515 CB 1.287 34 residues pruned to eliminate duplicates Z: 25 17.483 1.959 0.511 0.581 0.833 0.625 CB 1.338 25 residues pruned to eliminate duplicates Z: 9 9.781 1.968 0.337 0.468 0.875 0.375 CB 1.551 9 residues pruned to eliminate duplicates Z: 8 9.419 1.938 0.368 0.534 0.857 0.429 O 1.516 8 residues pruned to eliminate duplicates Z: 20 11.920 1.985 0.229 0.592 0.789 0.526 CB 1.300 20 residues pruned to eliminate duplicates Z: 8 5.039 1.657 0.297 0.546 0.714 0.429 CB 1.186 8 residues pruned to eliminate duplicates Z: 24 5.860 1.460 0.110 0.345 0.826 0.348 CB 1.080 24 residues pruned to eliminate duplicates Z: 7 6.288 1.480 0.721 0.667 0.833 0.500 CB 1.037 7 residues pruned to eliminate duplicates Z: 9 7.130 1.556 0.477 0.596 1.000 0.375 CB 1.000 9 residues pruned to eliminate duplicates Z: 10 9.293 1.606 0.702 0.803 0.889 0.444 CB 0.979 10 residues pruned to eliminate duplicates Z: 7 3.427 1.569 0.301 0.641 0.833 0.333 N 0.720 7 residues pruned to eliminate duplicates Z: 7 6.737 1.648 0.692 0.608 0.833 0.333 N 1.069 7 residues pruned to eliminate duplicates Z: 7 7.197 1.689 0.747 0.526 0.833 0.333 N 1.164 7 residues pruned to eliminate duplicates Z: 17 8.208 1.477 0.818 0.485 0.812 0.438 CB 0.955 17 residues pruned to eliminate duplicates Z: 11 11.948 1.595 0.594 0.791 1.000 0.600 CB 1.152 11 residues pruned to eliminate duplicates Z: 16 12.782 1.574 0.611 0.819 0.933 0.533 CB 1.057 16 residues pruned to eliminate duplicates Z: 15 11.321 1.604 0.527 0.857 1.000 0.643 CB 0.910 15 residues pruned to eliminate duplicates Z: 15 7.745 1.544 0.613 0.638 0.786 0.571 CB 0.930 15 residues pruned to eliminate duplicates Z: 11 8.090 1.645 0.539 0.822 0.900 0.600 CB 0.850 11 residues pruned to eliminate duplicates Z: 8 3.713 1.300 0.598 0.579 0.857 0.571 CB 0.730 Z: 12 8.774 1.573 0.604 0.721 0.727 0.273 CB 1.181 11 residues pruned to eliminate duplicates Z: 15 9.943 1.422 0.581 0.775 0.929 0.500 CB 0.998 15 residues pruned to eliminate duplicates Z: 15 11.310 1.614 0.649 0.641 0.857 0.571 CB 1.161 15 residues pruned to eliminate duplicates Z: 16 5.678 1.645 0.309 0.443 0.667 0.267 CB 1.083 16 residues pruned to eliminate duplicates Z: 13 5.013 1.541 0.695 0.421 0.500 0.167 CB 1.204 13 residues pruned to eliminate duplicates Z: 16 7.687 1.716 0.155 0.472 0.933 0.400 CB 1.103 16 residues pruned to eliminate duplicates Z: 17 6.957 1.567 0.393 0.499 0.812 0.312 CB 0.982 17 residues pruned to eliminate duplicates Z: 12 4.352 1.746 0.349 0.343 0.727 0.364 CB 0.908 12 residues pruned to eliminate duplicates Z: 13 6.882 1.616 0.302 0.457 0.833 0.500 CB 1.183 13 residues pruned to eliminate duplicates Z: 9 8.099 1.693 0.364 0.686 0.875 0.500 CB 1.194 9 residues pruned to eliminate duplicates Z: 12 6.328 1.807 0.213 0.413 0.909 0.364 CB 1.049 12 residues pruned to eliminate duplicates Z: 12 4.822 1.704 0.086 0.427 0.818 0.273 CB 1.036 12 residues pruned to eliminate duplicates Z: 16 9.027 1.770 0.466 0.323 0.800 0.333 CB 1.364 17 residues pruned to eliminate duplicates Z: 9 7.775 1.605 0.658 0.551 0.875 0.250 CB 1.124 9 residues pruned to eliminate duplicates Z: 12 4.334 1.716 0.501 0.259 0.636 0.182 CB 1.050 12 residues pruned to eliminate duplicates Z: 11 7.851 1.774 0.650 0.372 0.700 0.100 CB 1.390 11 residues pruned to eliminate duplicates Z: 6 5.416 1.543 0.308 0.510 1.000 0.600 CB 1.188 Z: 14 8.658 1.689 0.339 0.671 0.769 0.692 CB 1.179 Z: 6 4.436 1.722 0.201 0.458 0.800 0.600 CB 1.252 Z: 6 4.316 1.402 0.827 0.343 0.800 0.800 CB 1.118 Z: 6 4.266 1.479 0.143 0.440 1.000 0.800 N 1.201 Z: 11 5.629 1.586 0.341 0.429 0.800 0.300 CB 1.126 7 residues pruned to eliminate duplicates Z: 11 9.946 1.713 0.307 0.643 1.000 0.800 CB 1.230 8 residues pruned to eliminate duplicates Z: 8 6.257 1.666 0.382 0.489 0.857 0.571 CB 1.211 10 residues pruned to eliminate duplicates Z: 10 11.040 1.748 0.741 0.885 0.889 0.556 CB 0.982 Z: 8 9.162 1.662 0.453 0.829 1.000 0.714 CB 1.079 8 residues pruned to eliminate duplicates Z: 13 7.062 1.722 0.356 0.320 0.917 0.667 CB 1.161 13 residues pruned to eliminate duplicates Z: 21 6.227 1.686 0.091 0.318 0.900 0.450 CB 1.027 40 residues pruned to eliminate duplicates Z: 8 5.197 1.817 0.216 0.539 0.857 0.571 CB 0.998 8 residues pruned to eliminate duplicates Z: 19 6.641 1.707 0.171 0.411 0.778 0.167 CB 1.105 19 residues pruned to eliminate duplicates Z: 26 10.757 1.759 0.260 0.402 0.880 0.560 CB 1.223 35 residues pruned to eliminate duplicates Z: 12 5.846 1.727 0.305 0.722 0.727 0.364 CB 0.880 12 residues pruned to eliminate duplicates Z: 12 2.961 1.552 0.198 0.384 0.727 0.091 CB 0.746 6 residues pruned to eliminate duplicates Z: 11 11.040 1.697 0.281 0.796 1.000 0.800 CB 1.239 11 residues pruned to eliminate duplicates Z: 11 12.539 1.721 0.381 0.754 1.000 0.800 CB 1.330 11 residues pruned to eliminate duplicates Z: 11 4.798 1.641 0.138 0.511 0.800 0.400 CB 1.005 11 residues pruned to eliminate duplicates Z: 9 8.352 1.703 0.181 0.694 0.875 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 10 7.736 1.696 0.307 0.569 0.889 0.333 CB 1.224 10 residues pruned to eliminate duplicates Z: 7 4.045 1.521 0.419 0.366 0.833 0.333 CB 1.060 7 residues pruned to eliminate duplicates Z: 12 11.507 1.689 0.443 0.670 1.000 0.727 CB 1.217 11 residues pruned to eliminate duplicates Z: 13 10.216 1.667 0.193 0.806 1.000 0.917 CB 1.136 13 residues pruned to eliminate duplicates Z: 7 2.653 1.471 0.818 0.379 0.500 0.500 CB 0.922 7 residues pruned to eliminate duplicates Z: 11 7.572 1.519 0.500 0.694 0.700 0.300 O 1.257 11 residues pruned to eliminate duplicates Z: 15 11.538 1.622 0.570 0.705 0.929 0.357 CB 1.082 17 residues pruned to eliminate duplicates Z: 17 12.687 1.588 0.472 0.850 0.938 0.625 CB 1.072 17 residues pruned to eliminate duplicates Z: 7 3.799 1.413 0.283 0.682 0.667 0.333 N 1.086 Z: 8 5.663 1.355 0.759 0.857 1.000 0.571 CB 0.662 15 residues pruned to eliminate duplicates Z: 10 6.803 1.409 0.426 0.878 1.000 0.667 CB 0.819 9 residues pruned to eliminate duplicates Z: 10 6.544 1.352 0.703 0.849 1.000 0.556 CB 0.702 9 residues pruned to eliminate duplicates Z: 19 7.868 1.476 0.653 0.772 0.722 0.500 CB 0.827 19 residues pruned to eliminate duplicates Z: 13 13.762 1.542 0.664 0.860 1.000 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 11.272 1.587 0.605 0.859 0.909 0.818 CB 1.080 12 residues pruned to eliminate duplicates Z: 10 9.840 1.643 0.486 0.761 0.889 0.667 O 1.199 10 residues pruned to eliminate duplicates Z: 11 8.159 1.601 0.521 0.700 0.900 0.700 CB 0.981 11 residues pruned to eliminate duplicates Z: 10 5.540 1.587 0.457 0.697 0.667 0.556 CB 1.000 10 residues pruned to eliminate duplicates Z: 11 8.836 1.544 0.351 0.639 1.000 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 10 9.085 1.521 0.549 0.686 0.889 0.333 O 1.219 10 residues pruned to eliminate duplicates Z: 8 4.712 1.412 0.544 0.520 0.857 0.429 O 0.934 8 residues pruned to eliminate duplicates Z: 8 6.612 1.568 0.475 0.519 0.857 0.286 O 1.238 8 residues pruned to eliminate duplicates Z: 9 2.063 1.384 0.532 0.335 0.500 0.250 CB 0.824 Z: 7 4.055 1.512 0.446 0.260 0.833 0.500 N 1.196 Z: 8 3.379 1.289 0.397 0.330 0.857 0.571 N 0.998 5 residues pruned to eliminate duplicates Z: 9 2.169 1.230 0.020 0.436 0.625 0.500 CB 1.045 9 residues pruned to eliminate duplicates Z: 6 3.347 1.494 0.107 0.448 1.000 0.800 CB 0.954 6 residues pruned to eliminate duplicates 909 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 16 D: 11 E: 81 F: 21 G: 46 H: 12 I: 11 J: 25 K: 9 L: 18 M: 15 N: 27 O: 16 P: 17 Q: 10 R: 13 S: 14 T: 8 U: 57 V: 13 W: 11 X: 7 Y: 11 Z: 60 Z: 9 Z: 18 Z: 22 Z: 13 Z: 20 Z: 10 Z: 13 Z: 23 Z: 52 Z: 76 Z: 20 Z: 23 Z: 21 Z: 19 Z: 24 CC for partial structure against native data = 34.68 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.542, Connect. = 0.722 for dens.mod. cycle 1 = 0.300, Contrast = 0.626, Connect. = 0.744 for dens.mod. cycle 2 = 0.300, Contrast = 0.735, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.752, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.765, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.772, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.777, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.779, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.780, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.779, Connect. = 0.778 for dens.mod. cycle 10 TimeTaking 138.48