null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:46:35 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-mrncs/1vl6-2.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.ins Phases from ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.phi Native data from ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.hkl Listing output to ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.lst Phases output to ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.phs Poly-Ala trace output to ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 65 Allowed origin shift code: 8 47205 Reflections read from file ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.phi 47205 Reflections read from file ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.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 = 0.514, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.590, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.711, Connect. = 0.750 for dens.mod. cycle 3 = 0.300, Contrast = 0.751, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.775, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.789, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.797, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.801, Connect. = 0.777 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) 3413 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 1076 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 35.054 1.904 0.869 0.875 1.000 0.792 CB 1.463 B: 11 12.057 1.900 0.683 0.580 0.800 0.400 CB 1.380 C: 7 6.740 1.681 0.914 0.408 0.667 0.500 CB 1.413 D: 23 12.843 1.826 0.501 0.412 0.773 0.409 CB 1.417 E: 15 8.045 1.825 0.369 0.324 0.857 0.500 CB 1.218 F: 35 33.723 1.876 1.046 0.679 0.882 0.500 CB 1.448 23 residues pruned to eliminate duplicates G: 18 25.834 1.827 0.782 0.914 1.000 0.941 CB 1.361 H: 17 26.147 1.857 1.034 0.831 1.000 0.750 CB 1.300 17 residues pruned to eliminate duplicates I: 12 10.048 1.692 0.365 0.875 1.000 0.909 CB 0.954 J: 23 9.894 1.725 0.630 0.489 0.636 0.500 CB 1.193 8 residues pruned to eliminate duplicates K: 41 29.236 1.815 1.078 0.617 0.800 0.400 CB 1.373 41 residues pruned to eliminate duplicates L: 10 10.927 1.936 0.291 0.425 1.000 0.667 CB 1.576 M: 10 14.117 1.881 0.628 0.629 1.000 0.444 CB 1.361 11 residues pruned to eliminate duplicates N: 24 36.715 1.922 1.060 0.910 1.000 0.913 CB 1.371 24 residues pruned to eliminate duplicates O: 10 5.048 1.763 0.408 0.477 0.778 0.556 CB 0.892 P: 34 19.137 1.832 0.665 0.395 0.879 0.515 CB 1.389 13 residues pruned to eliminate duplicates Q: 19 8.142 1.878 0.400 0.218 0.833 0.500 CB 1.221 R: 21 27.767 1.818 0.859 0.890 1.000 0.850 CB 1.322 S: 18 23.216 1.836 0.777 0.831 1.000 0.706 CB 1.297 15 residues pruned to eliminate duplicates T: 9 17.972 1.881 0.873 0.876 1.000 1.000 CB 1.311 16 residues pruned to eliminate duplicates U: 11 8.056 1.796 0.336 0.894 1.000 0.900 CB 0.762 V: 16 13.163 1.830 0.836 0.548 0.867 0.733 CB 1.114 W: 15 21.992 1.801 0.832 0.868 1.000 0.643 CB 1.302 X: 17 32.597 1.876 1.018 0.929 1.000 0.938 CB 1.506 18 residues pruned to eliminate duplicates Y: 19 18.778 1.877 0.725 0.811 0.833 0.500 CB 1.251 19 residues pruned to eliminate duplicates Z: 13 9.172 1.763 0.506 0.710 0.833 0.667 CB 0.989 11 residues pruned to eliminate duplicates Z: 20 24.303 1.814 0.925 0.814 0.895 0.737 CB 1.359 20 residues pruned to eliminate duplicates Z: 9 17.787 1.847 0.746 0.873 1.000 0.875 CB 1.420 9 residues pruned to eliminate duplicates Z: 8 6.297 1.880 0.415 0.571 0.571 0.429 O 1.463 8 residues pruned to eliminate duplicates Z: 12 6.510 1.624 0.536 0.362 0.727 0.455 CB 1.255 Z: 13 21.058 1.868 0.737 0.825 0.917 0.750 CB 1.543 13 residues pruned to eliminate duplicates Z: 14 13.453 1.798 0.400 0.867 1.000 0.692 CB 1.084 Z: 11 7.076 1.708 0.551 0.814 0.900 0.800 CB 0.714 11 residues pruned to eliminate duplicates Z: 9 11.317 1.816 0.801 0.787 0.750 0.750 CB 1.267 3 residues pruned to eliminate duplicates Z: 20 27.430 1.912 0.870 0.887 0.895 0.895 CB 1.418 20 residues pruned to eliminate duplicates Z: 18 12.494 1.803 0.830 0.475 0.765 0.471 CB 1.232 18 residues pruned to eliminate duplicates Z: 14 12.124 1.616 0.888 0.742 0.846 0.385 CB 1.048 17 residues pruned to eliminate duplicates Z: 6 2.845 1.646 0.086 0.458 0.600 0.400 N 1.239 Z: 14 24.032 1.759 0.977 0.861 1.000 0.769 O 1.409 14 residues pruned to eliminate duplicates Z: 6 2.230 1.633 0.471 0.292 0.400 0.400 N 1.309 6 residues pruned to eliminate duplicates Z: 16 25.730 1.758 0.940 0.852 1.000 0.800 CB 1.441 16 residues pruned to eliminate duplicates Z: 13 7.341 1.787 0.524 0.285 0.667 0.417 O 1.488 13 residues pruned to eliminate duplicates Z: 10 4.662 1.699 0.320 0.315 0.778 0.333 CB 1.094 Z: 16 31.020 1.901 1.276 0.873 0.867 0.733 CB 1.557 16 residues pruned to eliminate duplicates Z: 10 7.026 1.553 1.014 0.325 0.667 0.556 N 1.361 10 residues pruned to eliminate duplicates Z: 10 10.131 1.687 0.694 0.873 1.000 0.778 CB 0.860 Z: 20 22.917 1.822 0.753 0.914 0.947 0.842 CB 1.229 20 residues pruned to eliminate duplicates Z: 20 14.884 1.600 0.387 0.802 0.895 0.737 CB 1.320 Z: 8 12.644 1.629 0.886 0.841 1.000 0.857 CB 1.160 Z: 14 17.246 1.738 0.620 0.918 1.000 0.923 CB 1.198 Z: 15 19.942 1.841 0.856 0.855 0.929 0.714 CB 1.240 14 residues pruned to eliminate duplicates Z: 14 16.714 1.767 0.484 0.857 1.000 0.769 CB 1.304 Z: 7 5.480 1.615 0.291 0.814 0.833 0.833 CB 0.980 Z: 18 32.706 1.853 1.142 0.929 0.941 0.941 CB 1.486 18 residues pruned to eliminate duplicates Z: 6 12.575 1.916 0.744 0.861 0.800 0.800 CB 1.547 Z: 6 4.391 1.802 0.032 0.416 0.800 0.400 CB 1.440 Z: 15 21.973 1.809 0.912 0.921 1.000 0.929 CB 1.195 15 residues pruned to eliminate duplicates Z: 16 21.410 1.722 0.824 0.832 0.933 0.600 CB 1.417 16 residues pruned to eliminate duplicates Z: 9 18.681 1.780 1.034 0.918 0.875 0.625 CB 1.471 8 residues pruned to eliminate duplicates Z: 16 16.450 1.719 0.621 0.867 1.000 0.800 CB 1.115 14 residues pruned to eliminate duplicates Z: 11 8.139 1.909 0.486 0.359 0.900 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 8 8.950 1.495 0.929 0.803 0.857 0.571 CB 1.050 Z: 24 23.425 1.826 0.959 0.848 0.870 0.304 CB 1.165 24 residues pruned to eliminate duplicates Z: 25 26.386 1.792 0.806 0.880 1.000 0.833 CB 1.205 25 residues pruned to eliminate duplicates Z: 16 19.161 1.727 0.749 0.853 1.000 0.867 CB 1.211 16 residues pruned to eliminate duplicates Z: 24 34.348 1.818 0.893 0.913 1.000 0.913 CB 1.472 24 residues pruned to eliminate duplicates Z: 19 19.958 1.761 0.730 0.751 0.944 0.722 CB 1.307 Z: 26 10.457 1.746 0.501 0.524 0.760 0.320 CB 1.025 26 residues pruned to eliminate duplicates Z: 8 3.744 1.591 0.405 0.421 0.571 0.429 CB 1.202 Z: 11 9.501 1.740 0.923 0.433 0.800 0.800 CB 1.203 Z: 11 12.631 1.781 0.820 0.840 0.800 0.800 CB 1.150 11 residues pruned to eliminate duplicates Z: 20 28.552 1.825 0.841 0.895 1.000 0.737 CB 1.397 20 residues pruned to eliminate duplicates Z: 10 4.042 1.736 0.556 0.261 0.667 0.333 CB 0.983 10 residues pruned to eliminate duplicates Z: 28 17.483 1.705 0.788 0.491 0.852 0.556 CB 1.306 6 residues pruned to eliminate duplicates Z: 18 14.461 1.733 0.525 0.718 0.765 0.471 O 1.424 18 residues pruned to eliminate duplicates Z: 15 21.715 1.919 0.832 0.925 1.000 1.000 CB 1.158 15 residues pruned to eliminate duplicates Z: 15 21.849 1.842 0.715 0.906 1.000 0.714 CB 1.315 15 residues pruned to eliminate duplicates Z: 11 7.955 1.790 0.607 0.844 0.900 0.800 CB 0.723 Z: 10 10.345 1.731 0.716 0.630 0.889 0.778 CB 1.156 Z: 10 9.804 1.617 0.603 0.812 0.889 0.667 O 1.081 Z: 6 7.815 1.643 0.847 0.648 1.000 0.400 CB 1.004 Z: 12 13.213 1.718 0.711 0.869 0.818 0.636 CB 1.210 Z: 9 8.355 1.830 0.435 0.296 0.875 0.500 CB 1.616 9 residues pruned to eliminate duplicates Z: 9 12.318 1.677 0.865 0.822 0.875 0.750 CB 1.204 Z: 11 17.146 1.736 1.050 0.700 0.900 0.700 CB 1.410 11 residues pruned to eliminate duplicates Z: 16 19.676 1.757 0.754 0.924 0.867 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 34 18.497 1.789 0.663 0.626 0.879 0.636 CB 1.094 11 residues pruned to eliminate duplicates Z: 10 13.748 1.719 0.889 0.813 0.889 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 6 2.143 1.417 0.202 0.296 0.800 0.400 CB 0.884 Z: 6 3.465 1.309 0.708 0.515 0.600 0.400 CB 1.139 Z: 17 14.957 1.727 0.605 0.740 0.812 0.562 O 1.338 17 residues pruned to eliminate duplicates Z: 15 13.200 1.829 0.818 0.474 0.857 0.571 CB 1.271 Z: 11 3.312 1.461 0.205 0.310 0.700 0.500 CB 1.050 Z: 12 10.054 1.780 0.666 0.424 0.818 0.545 N 1.352 Z: 12 12.901 1.730 0.710 0.865 0.818 0.727 CB 1.177 12 residues pruned to eliminate duplicates Z: 7 3.802 1.569 0.196 0.432 0.833 0.500 O 1.065 Z: 15 11.354 1.844 1.110 0.470 0.857 0.357 CB 0.937 11 residues pruned to eliminate duplicates Z: 17 23.729 1.817 0.949 0.853 0.812 0.625 CB 1.524 17 residues pruned to eliminate duplicates Z: 14 19.685 1.779 0.573 0.858 1.000 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 15 23.184 1.887 0.741 0.900 1.000 1.000 CB 1.347 15 residues pruned to eliminate duplicates Z: 16 9.852 1.657 0.508 0.502 0.867 0.533 CB 1.172 10 residues pruned to eliminate duplicates Z: 8 7.514 1.486 0.552 0.872 1.000 0.857 CB 0.897 Z: 11 10.101 1.896 0.677 0.394 0.800 0.500 CB 1.404 12 residues pruned to eliminate duplicates Z: 8 14.513 1.898 0.546 0.659 1.000 0.714 O 1.612 Z: 11 7.444 1.862 0.838 0.568 0.800 0.700 CB 0.805 Z: 6 6.571 1.646 0.886 0.432 0.800 0.400 O 1.269 Z: 16 11.907 1.724 0.775 0.464 0.867 0.667 CB 1.203 14 residues pruned to eliminate duplicates Z: 7 3.361 1.480 0.623 0.407 0.667 0.667 CB 0.946 7 residues pruned to eliminate duplicates Z: 6 3.812 1.715 0.644 0.697 0.600 0.400 CB 0.842 6 residues pruned to eliminate duplicates Z: 9 11.076 1.775 0.509 0.832 1.000 0.875 CB 1.097 9 residues pruned to eliminate duplicates Z: 13 16.158 1.843 0.522 0.919 1.000 0.917 CB 1.171 13 residues pruned to eliminate duplicates Z: 15 18.616 1.744 0.778 0.803 0.857 0.786 CB 1.438 15 residues pruned to eliminate duplicates Z: 11 12.557 1.772 0.843 0.846 0.800 0.700 CB 1.129 Z: 6 2.991 1.344 0.489 0.747 1.000 0.800 CB 0.536 Z: 7 5.037 1.669 0.515 0.430 0.667 0.667 CB 1.312 Z: 8 5.368 1.468 0.449 0.886 1.000 0.571 CB 0.688 8 residues pruned to eliminate duplicates Z: 13 16.587 1.762 0.647 0.853 1.000 0.750 CB 1.220 12 residues pruned to eliminate duplicates Z: 15 4.855 1.507 0.091 0.297 0.929 0.500 CB 1.067 Z: 8 9.133 1.814 0.343 0.816 0.857 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 22 16.258 1.897 0.772 0.480 0.952 0.762 CB 1.131 13 residues pruned to eliminate duplicates Z: 6 2.456 1.616 0.992 0.299 0.600 0.400 CB 0.712 Z: 6 8.377 1.715 0.660 0.769 1.000 0.600 CB 1.037 6 residues pruned to eliminate duplicates Z: 8 2.747 1.625 0.422 0.234 0.714 0.429 CB 0.857 Z: 7 3.006 1.590 0.321 0.250 0.667 0.500 CB 1.168 Z: 14 15.091 1.620 0.689 0.806 1.000 0.615 CB 1.171 13 residues pruned to eliminate duplicates Z: 25 29.212 1.829 1.047 0.863 0.958 0.708 CB 1.220 25 residues pruned to eliminate duplicates Z: 8 11.047 1.790 0.822 0.768 0.857 0.857 CB 1.178 8 residues pruned to eliminate duplicates Z: 7 3.733 1.800 0.453 0.298 0.500 0.500 CB 1.460 7 residues pruned to eliminate duplicates Z: 9 10.779 1.675 0.470 0.848 1.000 0.875 O 1.148 9 residues pruned to eliminate duplicates Z: 7 6.233 1.511 0.743 0.592 0.667 0.333 CB 1.327 Z: 16 15.214 1.665 0.674 0.841 0.800 0.600 CB 1.313 10 residues pruned to eliminate duplicates Z: 6 3.884 1.486 0.579 0.628 0.800 0.800 CB 0.820 Z: 8 11.624 1.652 1.061 0.810 0.857 0.857 N 1.150 8 residues pruned to eliminate duplicates Z: 13 7.529 1.453 0.526 0.711 0.750 0.500 CB 1.079 8 residues pruned to eliminate duplicates Z: 11 8.443 1.756 0.878 0.373 0.700 0.400 N 1.324 11 residues pruned to eliminate duplicates Z: 15 16.680 1.746 0.725 0.921 1.000 0.929 CB 1.041 15 residues pruned to eliminate duplicates Z: 11 10.584 1.639 0.814 0.769 0.900 0.600 CB 0.986 11 residues pruned to eliminate duplicates Z: 8 6.491 1.535 0.390 0.540 0.857 0.571 CB 1.290 Z: 19 7.909 1.523 0.708 0.299 0.722 0.389 N 1.242 14 residues pruned to eliminate duplicates Z: 11 4.099 1.618 0.478 0.324 0.700 0.500 CB 0.939 Z: 7 5.035 1.621 0.306 0.853 1.000 1.000 CB 0.718 Z: 20 11.948 1.698 0.352 0.540 0.895 0.684 CB 1.283 12 residues pruned to eliminate duplicates Z: 6 4.801 1.640 0.359 0.492 0.800 0.400 N 1.214 Z: 14 17.389 1.727 0.798 0.884 0.923 0.769 CB 1.216 14 residues pruned to eliminate duplicates Z: 43 19.004 1.757 0.776 0.509 0.738 0.262 CB 1.262 21 residues pruned to eliminate duplicates Z: 10 10.270 1.666 0.508 0.455 1.000 0.667 CB 1.428 10 1.837 1.586 0.089 0.131 0.556 0.444 CB 1.011 ? Z: 16 23.547 1.811 0.907 0.855 0.933 0.733 CB 1.392 16 residues pruned to eliminate duplicates Z: 9 5.161 1.670 0.678 0.451 0.750 0.500 CB 0.913 Z: 16 7.752 1.622 0.604 0.366 0.733 0.400 CB 1.211 9 residues pruned to eliminate duplicates Z: 13 21.868 1.801 0.811 0.855 1.000 0.833 CB 1.429 13 residues pruned to eliminate duplicates Z: 6 3.142 1.615 -0.121 0.646 0.800 0.600 CB 1.080 Z: 12 11.417 1.526 0.665 0.874 0.909 0.727 O 1.085 Z: 19 19.426 1.805 0.747 0.725 0.944 0.611 CB 1.255 17 residues pruned to eliminate duplicates Z: 7 2.360 1.363 -0.068 0.573 0.833 0.500 N 0.848 Z: 13 4.523 1.574 0.437 0.196 0.667 0.333 CB 1.244 9 residues pruned to eliminate duplicates Z: 9 6.086 1.751 0.714 0.429 0.875 0.625 CB 0.881 9 residues pruned to eliminate duplicates Z: 13 12.736 1.706 0.658 0.863 0.917 0.833 CB 1.041 13 residues pruned to eliminate duplicates Z: 19 16.510 1.648 0.620 0.899 1.000 0.833 CB 1.042 Z: 24 30.674 1.870 0.971 0.840 0.957 0.652 CB 1.353 24 residues pruned to eliminate duplicates Z: 12 10.555 1.976 0.620 0.464 0.727 0.545 CB 1.419 12 residues pruned to eliminate duplicates Z: 16 19.098 1.656 0.838 0.926 0.933 0.600 CB 1.218 14 residues pruned to eliminate duplicates Z: 9 8.541 1.650 0.907 0.862 1.000 0.875 CB 0.705 Z: 11 10.873 1.729 0.750 0.847 0.800 0.800 CB 1.055 11 residues pruned to eliminate duplicates Z: 14 11.571 1.556 0.700 0.838 0.923 0.846 CB 0.983 Z: 6 3.810 1.621 0.448 0.303 0.800 0.600 CB 1.130 Z: 9 3.639 1.468 0.362 0.285 0.750 0.500 C 1.093 6 residues pruned to eliminate duplicates Z: 22 19.973 1.753 0.726 0.830 0.905 0.762 CB 1.198 22 residues pruned to eliminate duplicates Z: 7 4.662 1.557 0.284 0.582 0.833 0.667 CB 1.056 Z: 8 3.777 1.500 0.357 0.346 0.857 0.429 CB 0.967 Z: 9 6.400 1.818 0.206 0.282 0.875 0.625 CB 1.509 9 residues pruned to eliminate duplicates Z: 13 9.940 1.633 0.309 0.875 0.917 0.833 CB 1.066 Z: 13 18.878 1.645 1.044 0.883 1.000 1.000 CB 1.172 11 residues pruned to eliminate duplicates Z: 7 3.343 1.620 0.936 0.305 0.667 0.333 N 0.811 Z: 6 4.869 1.811 0.753 0.777 1.000 0.600 CB 0.537 Z: 10 8.222 1.415 0.608 0.799 0.778 0.556 O 1.192 9 residues pruned to eliminate duplicates Z: 7 6.569 1.996 0.862 0.359 0.833 0.500 CB 1.007 7 residues pruned to eliminate duplicates Z: 11 10.080 1.668 0.531 0.653 0.900 0.600 N 1.203 11 residues pruned to eliminate duplicates Z: 7 6.154 1.566 0.790 0.540 0.667 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 44 25.364 1.838 0.837 0.599 0.814 0.442 CB 1.281 43 residues pruned to eliminate duplicates Z: 17 8.939 1.593 0.630 0.536 0.812 0.250 CB 1.022 9 residues pruned to eliminate duplicates Z: 6 9.832 1.760 0.526 0.733 1.000 0.600 CB 1.328 Z: 7 2.906 1.365 0.546 0.282 0.667 0.333 O 1.078 Z: 10 7.013 1.601 0.692 0.266 0.778 0.222 CB 1.449 Z: 10 4.508 1.616 0.469 0.251 0.667 0.556 CB 1.264 Z: 10 6.627 1.791 0.225 0.466 0.778 0.667 CB 1.341 10 residues pruned to eliminate duplicates 8 1.971 1.476 -0.140 0.301 0.714 0.571 CB 1.027 ? Z: 6 6.578 1.705 0.584 0.536 1.000 0.800 CB 1.051 Z: 15 22.477 1.847 0.741 0.927 1.000 0.786 CB 1.309 15 residues pruned to eliminate duplicates Z: 16 21.315 1.875 0.891 0.842 0.867 0.733 CB 1.334 16 residues pruned to eliminate duplicates Z: 7 3.186 1.435 0.002 0.661 1.000 0.500 CB 0.779 Z: 6 3.464 1.451 0.408 0.764 0.800 0.800 CB 0.750 6 residues pruned to eliminate duplicates Z: 9 15.505 1.702 0.843 0.893 1.000 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 14 5.578 1.667 0.718 0.361 0.462 0.231 N 1.359 14 residues pruned to eliminate duplicates Z: 8 3.083 1.544 0.666 0.257 0.571 0.429 O 1.047 Z: 51 26.074 1.803 0.686 0.591 0.980 0.600 CB 1.135 63 residues pruned to eliminate duplicates Z: 8 2.754 1.440 0.461 0.273 0.714 0.286 N 0.897 Z: 8 3.685 1.582 0.231 0.704 0.857 0.714 CB 0.693 8 residues pruned to eliminate duplicates Z: 10 8.044 1.637 0.403 0.633 0.889 0.444 CB 1.160 7 residues pruned to eliminate duplicates Z: 8 5.577 1.486 0.473 0.610 1.000 0.714 CB 0.868 Z: 6 2.960 1.593 0.232 0.295 0.800 0.400 N 1.061 Z: 6 2.899 1.614 0.313 0.610 0.800 0.600 CB 0.689 Z: 21 10.390 1.596 0.647 0.504 0.800 0.400 CB 1.100 21 residues pruned to eliminate duplicates Z: 37 21.614 1.877 0.620 0.420 0.972 0.306 CB 1.323 37 residues pruned to eliminate duplicates Z: 13 11.043 1.510 0.625 0.902 0.917 0.750 CB 1.011 Z: 16 7.363 1.507 0.331 0.396 0.867 0.467 CB 1.221 Z: 20 8.270 1.664 0.382 0.247 0.842 0.316 CB 1.311 15 residues pruned to eliminate duplicates Z: 7 3.261 1.378 0.557 0.437 0.833 0.500 CB 0.794 Z: 12 10.100 1.413 0.860 0.776 0.909 0.273 CB 0.999 Z: 7 7.841 1.402 0.588 0.846 0.833 0.833 CA 1.282 7 residues pruned to eliminate duplicates Z: 10 8.056 1.572 0.349 0.771 0.889 0.889 CB 1.121 Z: 8 4.244 1.487 0.601 0.521 0.857 0.429 CB 0.770 Z: 8 4.432 1.656 0.450 0.344 0.571 0.571 CB 1.446 8 residues pruned to eliminate duplicates Z: 45 28.338 1.802 0.755 0.683 0.932 0.705 CB 1.225 45 residues pruned to eliminate duplicates Z: 7 5.203 1.560 0.448 0.431 0.833 0.667 CB 1.212 Z: 12 8.758 1.617 0.517 0.434 0.818 0.273 N 1.410 10 residues pruned to eliminate duplicates Z: 27 16.278 1.843 0.915 0.485 0.692 0.423 CB 1.327 27 residues pruned to eliminate duplicates Z: 10 4.682 1.594 0.607 0.305 0.667 0.444 CB 1.135 Z: 14 14.896 1.731 0.718 0.892 1.000 0.846 CB 0.999 14 residues pruned to eliminate duplicates Z: 8 9.460 1.665 0.423 0.910 1.000 1.000 CB 1.069 8 residues pruned to eliminate duplicates Z: 10 7.630 1.534 0.925 0.870 0.667 0.333 CB 0.943 10 residues pruned to eliminate duplicates Z: 12 4.551 1.675 0.490 0.198 0.727 0.364 CB 1.083 Z: 8 12.552 1.821 0.579 0.871 1.000 0.857 CB 1.204 8 residues pruned to eliminate duplicates Z: 10 4.038 1.510 0.543 0.367 0.778 0.333 CB 0.857 Z: 11 8.147 1.696 0.341 0.837 1.000 0.900 CB 0.847 11 residues pruned to eliminate duplicates Z: 17 9.563 1.729 0.886 0.477 0.875 0.500 CB 0.858 27 residues pruned to eliminate duplicates Z: 12 4.717 1.514 0.305 0.220 0.818 0.455 C 1.221 Z: 8 6.580 1.411 0.509 0.461 1.000 0.429 O 1.215 8 residues pruned to eliminate duplicates Z: 18 10.763 1.630 0.720 0.878 0.824 0.588 CB 0.820 17 residues pruned to eliminate duplicates Z: 8 4.231 1.662 0.944 0.675 0.857 0.714 CB 0.491 8 residues pruned to eliminate duplicates Z: 10 15.940 1.770 1.006 0.866 1.000 0.778 CB 1.095 11 residues pruned to eliminate duplicates Z: 12 9.229 1.601 0.516 0.556 0.909 0.636 CB 1.193 12 residues pruned to eliminate duplicates Z: 16 15.169 1.676 0.453 0.815 0.933 0.867 CB 1.310 15 residues pruned to eliminate duplicates Z: 6 6.835 1.541 0.275 0.823 1.000 0.800 N 1.176 8 1.902 1.408 0.224 0.223 0.571 0.571 CB 1.010 ? Z: 13 10.743 1.793 0.717 0.467 0.750 0.667 CB 1.389 13 residues pruned to eliminate duplicates Z: 16 26.515 1.819 0.972 0.922 1.000 0.933 CB 1.343 16 residues pruned to eliminate duplicates Z: 8 3.542 1.663 0.628 0.182 0.571 0.429 CB 1.269 Z: 11 3.090 1.611 0.407 0.156 0.600 0.200 CB 1.095 Z: 7 3.054 1.624 0.105 0.369 0.667 0.500 N 1.199 Z: 10 6.597 1.641 0.404 0.547 0.889 0.444 CB 1.026 Z: 20 11.351 1.607 0.524 0.676 0.842 0.737 CB 1.073 10 residues pruned to eliminate duplicates Z: 6 4.626 1.579 0.687 0.485 0.800 0.600 CB 0.986 Z: 7 3.433 1.680 0.198 0.483 0.833 0.667 CB 0.850 Z: 7 3.771 1.437 0.455 0.475 0.667 0.500 O 1.133 Z: 8 7.885 1.711 0.152 0.657 1.000 0.857 N 1.306 Z: 10 7.703 1.554 0.517 0.632 0.889 0.667 CB 1.082 10 residues pruned to eliminate duplicates Z: 13 12.243 1.711 0.619 0.719 0.833 0.417 CB 1.257 13 residues pruned to eliminate duplicates 7 1.512 1.163 0.295 0.193 0.833 0.333 CB 0.710 ? Z: 6 3.199 1.621 0.576 0.412 0.600 0.400 N 1.024 6 residues pruned to eliminate duplicates Z: 13 12.702 1.722 1.121 0.848 0.750 0.583 CB 0.993 12 residues pruned to eliminate duplicates Z: 8 4.433 1.576 0.685 0.236 0.714 0.429 N 1.200 Z: 7 2.244 1.516 0.338 0.291 0.667 0.333 N 0.856 Z: 12 18.285 1.794 0.514 0.875 1.000 0.909 CB 1.477 12 residues pruned to eliminate duplicates Z: 8 4.361 1.559 0.271 0.612 0.571 0.429 N 1.309 Z: 7 4.165 1.580 0.222 0.335 0.833 0.667 CB 1.266 Z: 11 14.592 1.742 1.135 0.886 0.800 0.400 CB 1.119 11 residues pruned to eliminate duplicates Z: 8 8.309 1.686 0.435 0.738 0.857 0.571 O 1.223 8 residues pruned to eliminate duplicates Z: 16 13.642 1.781 0.843 0.829 0.867 0.600 CB 0.932 16 residues pruned to eliminate duplicates Z: 22 9.591 1.628 0.425 0.393 0.714 0.429 CB 1.414 31 residues pruned to eliminate duplicates Z: 9 4.713 1.516 0.649 0.811 0.500 0.375 CB 1.017 9 residues pruned to eliminate duplicates Z: 6 2.198 1.391 0.003 0.463 0.800 0.600 N 0.915 Z: 13 8.138 1.731 0.532 0.436 0.917 0.750 CB 1.032 13 residues pruned to eliminate duplicates Z: 18 18.766 1.809 0.945 0.491 0.824 0.588 CB 1.584 18 residues pruned to eliminate duplicates Z: 12 8.708 1.609 0.424 0.816 0.818 0.818 CB 1.065 13 residues pruned to eliminate duplicates Z: 20 21.830 1.744 0.883 0.900 0.895 0.474 CB 1.217 20 residues pruned to eliminate duplicates Z: 18 12.348 1.556 0.644 0.895 0.941 0.882 CB 0.891 18 residues pruned to eliminate duplicates Z: 12 6.433 1.678 0.520 0.387 0.636 0.273 O 1.348 Z: 11 5.835 1.432 0.154 0.562 1.000 0.600 CB 1.051 Z: 6 8.041 1.691 0.594 0.589 1.000 1.000 CB 1.225 6 residues pruned to eliminate duplicates Z: 17 11.079 1.409 0.495 0.858 0.938 0.750 O 1.033 12 residues pruned to eliminate duplicates Z: 6 2.119 1.311 -0.149 0.494 0.800 0.600 N 1.068 6 1.461 1.589 0.219 0.295 0.600 0.400 CB 0.707 ? Z: 8 4.808 1.639 0.366 0.837 0.714 0.571 CB 0.850 8 residues pruned to eliminate duplicates Z: 7 11.726 1.888 0.463 0.681 1.000 0.833 CB 1.468 7 residues pruned to eliminate duplicates Z: 7 2.203 1.426 -0.021 0.411 0.833 0.500 CB 0.848 Z: 14 18.031 1.776 0.864 0.902 0.846 0.615 CB 1.273 15 residues pruned to eliminate duplicates Z: 10 12.137 1.702 0.875 0.771 0.889 0.889 CB 1.122 10 residues pruned to eliminate duplicates Z: 16 16.697 1.799 0.934 0.879 0.800 0.600 CB 1.123 16 residues pruned to eliminate duplicates Z: 12 7.395 1.724 0.678 0.539 0.818 0.364 CB 0.907 Z: 11 10.848 1.557 0.661 0.850 0.900 0.800 CB 1.092 Z: 10 4.707 1.525 0.279 0.326 0.778 0.444 CB 1.252 Z: 9 11.093 1.633 0.938 0.875 1.000 0.875 CB 0.901 9 residues pruned to eliminate duplicates Z: 6 8.263 1.606 0.688 0.848 0.800 0.600 N 1.264 Z: 16 17.675 1.781 0.941 0.884 1.000 0.667 CB 0.953 18 residues pruned to eliminate duplicates Z: 9 2.392 1.556 0.019 0.131 0.750 0.250 CB 1.128 Z: 15 18.421 1.757 0.592 0.859 1.000 0.786 CB 1.295 15 residues pruned to eliminate duplicates Z: 22 5.721 1.604 0.463 0.326 0.810 0.381 CB 0.796 Z: 17 26.421 1.953 0.707 0.942 1.000 1.000 O 1.374 17 residues pruned to eliminate duplicates Z: 12 4.812 1.596 0.510 0.301 0.636 0.455 CB 1.181 Z: 21 23.572 1.823 0.749 0.820 0.950 0.750 CB 1.319 21 residues pruned to eliminate duplicates Z: 12 14.464 1.541 0.808 0.904 1.000 1.000 CB 1.114 12 residues pruned to eliminate duplicates Z: 9 6.669 1.554 0.405 0.702 1.000 0.625 CB 0.899 Z: 10 3.467 1.663 0.454 0.492 0.889 0.444 CB 0.543 Z: 20 12.413 1.624 0.998 0.494 0.737 0.474 CB 1.198 20 residues pruned to eliminate duplicates Z: 15 4.838 1.501 0.360 0.307 0.714 0.214 CB 1.098 15 residues pruned to eliminate duplicates Z: 7 3.206 1.430 0.363 0.263 0.833 0.500 CB 1.056 Z: 10 3.685 1.446 0.324 0.297 0.778 0.667 N 1.035 Z: 11 9.615 1.354 0.666 0.873 1.000 0.900 CB 0.982 Z: 8 7.886 1.377 0.826 0.810 0.857 0.714 N 1.056 Z: 8 8.073 1.668 0.894 0.456 0.857 0.714 CB 1.178 Z: 17 6.257 1.735 0.559 0.235 0.688 0.500 CB 1.146 17 residues pruned to eliminate duplicates Z: 8 2.912 1.419 0.628 0.390 0.571 0.286 CB 0.937 Z: 19 8.178 1.669 0.306 0.360 0.889 0.722 CB 1.157 8 residues pruned to eliminate duplicates Z: 14 16.366 1.807 0.680 0.814 0.846 0.769 CB 1.345 21 residues pruned to eliminate duplicates Z: 12 14.227 1.551 0.991 0.871 1.000 1.000 CB 1.013 Z: 12 4.868 1.540 0.420 0.644 0.545 0.455 CB 1.076 12 residues pruned to eliminate duplicates Z: 8 11.286 1.656 0.697 0.833 1.000 0.857 CB 1.139 9 residues pruned to eliminate duplicates Z: 7 7.277 1.706 0.032 0.688 1.000 0.667 CB 1.421 Z: 15 10.789 1.610 0.540 0.738 0.857 0.714 O 1.096 15 residues pruned to eliminate duplicates 6 1.066 1.351 0.490 0.297 0.400 0.400 CB 0.743 ? Z: 6 4.209 1.676 0.126 0.543 0.800 0.600 CB 1.195 Z: 23 9.009 1.691 0.474 0.286 0.727 0.455 CB 1.349 23 residues pruned to eliminate duplicates Z: 7 6.645 1.516 0.534 0.795 0.833 0.333 O 1.081 Z: 8 4.932 1.473 0.217 0.507 0.857 0.571 CB 1.205 Z: 6 2.875 1.524 0.473 0.286 0.600 0.400 O 1.214 Z: 12 11.189 1.757 0.862 0.342 0.909 0.636 O 1.347 3 residues pruned to eliminate duplicates Z: 9 3.241 1.377 0.787 0.123 0.625 0.250 N 1.196 8 1.940 1.345 0.391 0.302 0.571 0.286 N 0.855 ? Z: 9 11.675 1.637 0.716 0.877 0.875 0.875 N 1.219 Z: 11 12.085 1.750 0.701 0.779 0.800 0.800 CB 1.254 11 residues pruned to eliminate duplicates Z: 23 13.795 1.826 0.468 0.384 0.909 0.591 CB 1.365 29 residues pruned to eliminate duplicates Z: 9 12.858 1.761 0.778 0.841 1.000 0.750 CB 1.082 9 residues pruned to eliminate duplicates Z: 20 15.573 1.790 0.708 0.549 0.842 0.474 CB 1.322 22 residues pruned to eliminate duplicates Z: 6 7.785 1.553 0.391 0.862 1.000 0.800 CB 1.183 Z: 10 13.603 1.727 0.613 0.755 1.000 0.667 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 3.400 1.750 0.053 0.174 0.889 0.222 CB 1.026 10 residues pruned to eliminate duplicates Z: 15 25.881 1.879 0.855 0.911 1.000 1.000 CB 1.407 15 residues pruned to eliminate duplicates Z: 9 15.839 1.713 0.778 0.887 1.000 0.875 CB 1.326 Z: 7 11.661 1.562 0.863 0.856 1.000 0.667 N 1.207 7 residues pruned to eliminate duplicates Z: 14 5.025 1.597 0.011 0.402 0.846 0.692 CB 1.131 14 residues pruned to eliminate duplicates Z: 9 4.290 1.728 0.588 0.660 0.875 0.625 CB 0.544 Z: 15 5.487 1.563 0.403 0.323 0.786 0.429 CB 1.035 Z: 7 4.148 1.517 0.843 0.761 0.667 0.500 CB 0.721 Z: 9 3.576 1.472 0.311 0.389 0.875 0.500 CB 0.843 Z: 18 15.124 1.649 0.747 0.832 0.941 0.706 CB 1.016 18 residues pruned to eliminate duplicates Z: 6 2.448 1.275 0.258 0.262 0.800 0.600 N 1.120 Z: 17 6.049 1.619 0.714 0.328 0.625 0.375 CB 1.053 20 residues pruned to eliminate duplicates Z: 13 17.094 1.657 0.707 0.862 1.000 0.833 CB 1.280 13 residues pruned to eliminate duplicates Z: 8 8.387 1.535 0.641 0.687 0.857 0.429 N 1.236 Z: 10 12.248 1.660 0.379 0.897 1.000 0.778 O 1.276 13 residues pruned to eliminate duplicates Z: 37 18.230 1.772 0.626 0.477 0.889 0.611 CB 1.214 37 residues pruned to eliminate duplicates Z: 6 2.344 1.607 0.330 0.247 0.600 0.600 N 1.094 Z: 6 6.919 1.347 0.408 0.850 1.000 0.800 CB 1.208 Z: 10 11.146 1.595 0.587 0.747 0.889 0.556 CB 1.324 Z: 8 6.946 1.526 0.380 0.779 0.857 0.143 CB 1.136 Z: 7 4.734 1.472 0.532 0.335 0.833 0.500 CA 1.232 Z: 8 8.276 1.561 0.724 0.779 0.857 0.857 CB 1.060 8 residues pruned to eliminate duplicates Z: 18 12.702 1.773 0.616 0.501 0.882 0.588 CB 1.217 18 residues pruned to eliminate duplicates Z: 14 13.842 1.616 0.897 0.819 0.923 0.769 O 1.029 14 residues pruned to eliminate duplicates 7 1.335 1.271 0.557 0.252 0.500 0.333 CB 0.733 ? Z: 12 4.428 1.606 0.209 0.275 0.818 0.273 CB 1.084 16 residues pruned to eliminate duplicates Z: 6 4.385 1.657 0.369 0.581 0.800 0.600 CB 1.000 Z: 9 9.288 1.628 0.822 0.906 1.000 1.000 CB 0.787 7 residues pruned to eliminate duplicates Z: 10 5.433 1.471 0.765 0.647 0.667 0.556 CB 0.912 10 residues pruned to eliminate duplicates Z: 6 3.760 1.135 1.123 0.624 1.000 0.600 N 0.621 Z: 13 15.531 1.883 0.614 0.688 0.917 0.583 CB 1.355 13 residues pruned to eliminate duplicates Z: 8 3.716 1.469 0.427 0.205 0.857 0.571 CB 1.109 Z: 13 10.490 1.662 0.694 0.541 0.917 0.500 CB 1.127 Z: 14 19.100 1.786 0.597 0.895 1.000 0.923 CB 1.331 15 residues pruned to eliminate duplicates Z: 9 2.398 1.575 0.465 0.234 0.625 0.250 O 0.801 Z: 18 8.297 1.696 0.316 0.348 0.882 0.529 CB 1.205 19 residues pruned to eliminate duplicates Z: 14 9.273 1.504 0.173 0.808 0.923 0.769 O 1.207 14 residues pruned to eliminate duplicates Z: 7 2.287 1.458 0.463 0.272 0.667 0.167 N 0.851 Z: 17 12.846 1.576 0.883 0.849 1.000 0.812 CB 0.802 17 residues pruned to eliminate duplicates Z: 12 11.469 1.529 0.663 0.841 0.909 0.636 CB 1.115 Z: 15 9.219 1.715 0.634 0.465 0.786 0.571 CB 1.160 15 residues pruned to eliminate duplicates Z: 7 2.550 1.487 0.631 0.386 0.500 0.167 CB 0.970 Z: 10 5.810 1.395 0.739 0.568 0.667 0.444 CB 1.122 8 residues pruned to eliminate duplicates Z: 13 6.765 1.411 0.391 0.705 0.750 0.333 CB 1.101 13 residues pruned to eliminate duplicates Z: 13 8.849 1.547 0.623 0.830 0.917 0.750 CB 0.834 Z: 10 12.891 1.573 0.690 0.829 1.000 0.889 O 1.216 9 residues pruned to eliminate duplicates Z: 9 3.023 1.537 0.356 0.322 0.625 0.375 N 0.998 Z: 11 6.437 1.615 0.450 0.295 0.800 0.300 CB 1.366 Z: 6 5.736 1.618 1.167 0.517 0.600 0.400 N 1.199 Z: 8 6.717 1.397 0.582 0.768 1.000 0.714 CB 0.906 Z: 9 9.640 1.358 0.795 0.843 0.875 0.750 CB 1.190 Z: 25 16.122 1.719 0.760 0.392 0.833 0.333 O 1.463 25 residues pruned to eliminate duplicates Z: 15 4.651 1.520 0.359 0.379 0.643 0.500 CB 1.065 15 residues pruned to eliminate duplicates Z: 11 3.742 1.657 0.310 0.335 0.800 0.600 CB 0.815 11 residues pruned to eliminate duplicates Z: 9 4.451 1.491 0.486 0.254 0.750 0.375 CB 1.256 6 residues pruned to eliminate duplicates Z: 9 4.704 1.456 0.909 0.365 0.750 0.125 CB 0.922 8 1.515 1.435 0.341 0.329 0.429 0.286 O 0.837 ? Z: 11 5.029 1.370 0.716 0.239 0.800 0.400 CB 1.144 Z: 12 10.829 1.404 0.580 0.861 1.000 0.636 CB 1.082 9 residues pruned to eliminate duplicates 6 1.143 1.493 -0.118 0.291 0.600 0.400 CB 0.817 ? Z: 8 8.135 1.597 0.398 0.817 0.857 0.429 N 1.220 Z: 16 11.692 1.492 0.721 0.816 0.733 0.333 CB 1.219 16 residues pruned to eliminate duplicates Z: 9 8.500 1.526 0.593 0.843 1.000 0.625 CB 0.920 6 residues pruned to eliminate duplicates Z: 10 2.199 1.451 -0.127 0.221 0.778 0.333 CB 1.032 Z: 22 9.440 1.685 0.546 0.372 0.714 0.524 CB 1.270 22 residues pruned to eliminate duplicates Z: 9 3.497 1.344 0.799 0.506 0.625 0.625 N 0.813 Z: 10 5.899 1.355 0.537 0.729 0.778 0.444 CB 0.988 Z: 9 6.341 1.626 0.244 0.736 1.000 0.875 CB 0.897 Z: 10 9.961 1.507 0.549 0.873 1.000 1.000 O 1.036 7 residues pruned to eliminate duplicates Z: 7 6.641 1.394 0.492 0.639 1.000 0.500 N 1.145 Z: 9 7.314 1.561 0.287 0.726 1.000 0.750 CB 1.050 8 residues pruned to eliminate duplicates Z: 6 2.986 1.793 0.122 0.813 1.000 1.000 CB 0.506 6 1.998 1.322 0.163 0.402 0.800 0.400 CB 0.805 ? Z: 7 4.653 1.541 0.467 0.651 0.667 0.333 CB 1.095 Z: 6 3.145 1.438 -0.132 0.519 1.000 0.600 CB 1.106 Z: 6 3.425 1.595 0.200 0.440 0.800 0.400 CB 1.065 Z: 9 6.974 1.795 0.496 0.516 0.875 0.750 CB 1.033 6 residues pruned to eliminate duplicates Z: 7 4.053 1.500 0.430 0.416 1.000 0.833 N 0.842 Z: 6 4.859 1.369 0.314 0.568 1.000 0.600 CB 1.131 Z: 9 15.338 1.695 0.993 0.913 1.000 1.000 CB 1.137 9 residues pruned to eliminate duplicates Z: 10 2.428 1.500 0.177 0.187 0.667 0.556 CB 1.001 6 1.396 1.464 0.047 0.481 0.800 0.800 CB 0.519 ? Z: 9 3.319 1.512 0.314 0.323 0.625 0.250 CB 1.148 Z: 13 11.512 1.588 0.608 0.864 0.833 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 7 4.617 1.592 0.209 0.436 1.000 0.833 CB 1.046 Z: 6 4.174 1.469 0.694 0.787 0.800 0.800 CB 0.729 Z: 9 4.033 1.343 0.462 0.367 0.750 0.500 N 1.117 Z: 9 3.773 1.268 0.430 0.465 0.750 0.375 N 1.016 9 residues pruned to eliminate duplicates Z: 30 14.691 1.717 0.592 0.533 0.862 0.621 CB 1.120 34 residues pruned to eliminate duplicates Z: 37 23.899 1.781 0.683 0.632 0.833 0.611 CB 1.409 50 residues pruned to eliminate duplicates Z: 7 3.925 1.389 0.289 0.334 1.000 0.500 CB 1.072 Z: 14 9.565 1.681 0.511 0.765 0.769 0.385 CB 1.073 14 residues pruned to eliminate duplicates Z: 10 8.670 1.403 0.686 0.825 0.889 0.778 CB 1.037 10 residues pruned to eliminate duplicates Z: 33 16.895 1.731 0.687 0.654 0.875 0.500 CB 1.013 33 residues pruned to eliminate duplicates Z: 8 5.831 1.375 0.546 0.477 1.000 0.571 O 1.061 Z: 11 6.367 1.743 0.250 0.353 0.800 0.400 CB 1.354 6 residues pruned to eliminate duplicates Z: 12 6.544 1.480 0.349 0.489 1.000 0.636 CB 1.000 19 residues pruned to eliminate duplicates Z: 8 5.113 1.285 0.610 0.552 0.857 0.571 CB 1.036 Z: 18 6.023 1.522 0.231 0.290 0.765 0.412 CB 1.290 10 residues pruned to eliminate duplicates Z: 8 4.652 1.643 0.085 0.317 1.000 0.571 O 1.208 Z: 6 2.765 1.326 0.470 0.643 0.600 0.400 CB 0.925 6 residues pruned to eliminate duplicates Z: 9 7.029 1.546 1.023 0.881 0.875 0.375 CB 0.658 3 residues pruned to eliminate duplicates Z: 6 2.968 1.428 0.508 0.293 0.800 0.600 N 0.972 Z: 12 11.077 1.657 0.693 0.777 0.909 0.545 O 1.025 12 residues pruned to eliminate duplicates Z: 11 3.950 1.394 0.779 0.215 0.700 0.300 CB 1.007 Z: 30 24.734 1.777 0.841 0.658 0.862 0.552 CB 1.406 31 residues pruned to eliminate duplicates Z: 10 10.859 1.871 0.518 0.620 0.778 0.333 O 1.463 10 residues pruned to eliminate duplicates Z: 12 3.665 1.443 0.940 0.290 0.545 0.273 N 0.916 Z: 10 3.169 1.656 0.226 0.278 0.889 0.556 CB 0.752 10 residues pruned to eliminate duplicates Z: 7 9.960 1.633 0.845 0.681 1.000 0.833 CB 1.143 Z: 9 9.153 1.554 0.514 0.845 0.875 0.875 CB 1.169 Z: 6 2.285 1.447 0.537 0.555 0.800 0.600 CB 0.545 Z: 25 10.435 1.726 0.625 0.327 0.750 0.500 CB 1.225 22 residues pruned to eliminate duplicates Z: 8 2.370 1.327 0.476 0.329 0.571 0.571 N 0.965 Z: 9 3.015 1.307 0.509 0.556 0.625 0.625 CB 0.820 Z: 35 15.014 1.788 0.587 0.348 0.853 0.500 CB 1.255 35 residues pruned to eliminate duplicates Z: 8 3.495 1.472 0.667 0.306 0.714 0.571 CB 0.935 Z: 8 14.060 1.625 0.862 0.827 1.000 0.857 N 1.324 8 residues pruned to eliminate duplicates Z: 10 13.967 1.702 1.153 0.713 0.778 0.444 CB 1.347 13 residues pruned to eliminate duplicates Z: 9 10.266 1.664 0.366 0.899 1.000 0.875 CB 1.141 9 residues pruned to eliminate duplicates Z: 16 7.278 1.600 0.485 0.357 0.867 0.400 N 1.065 Z: 8 3.474 1.429 0.499 0.243 0.714 0.286 CB 1.155 Z: 7 4.956 1.472 0.443 0.348 1.000 0.667 CB 1.124 Z: 7 3.357 1.575 0.375 0.285 0.667 0.333 CB 1.209 Z: 9 5.933 1.443 0.520 0.825 1.000 0.750 CB 0.722 8 residues pruned to eliminate duplicates Z: 6 2.672 1.562 0.220 0.279 0.800 0.600 O 1.006 6 residues pruned to eliminate duplicates Z: 6 5.934 1.486 0.685 0.561 1.000 0.400 CB 0.999 Z: 8 4.448 1.410 0.627 0.374 0.714 0.571 CB 1.173 Z: 12 12.382 1.756 0.648 0.696 0.909 0.818 CB 1.187 12 residues pruned to eliminate duplicates Z: 36 19.429 1.650 0.720 0.491 0.829 0.543 CB 1.410 19 residues pruned to eliminate duplicates Z: 6 2.363 1.529 0.286 0.305 0.600 0.600 CB 1.113 Z: 8 2.271 1.336 0.585 0.170 0.571 0.143 CB 1.059 Z: 6 2.764 1.208 0.599 0.526 0.800 0.600 CB 0.779 Z: 7 3.113 1.388 0.372 0.287 0.667 0.333 O 1.271 Z: 37 21.016 1.804 0.754 0.528 0.861 0.611 CB 1.250 40 residues pruned to eliminate duplicates 6 1.488 1.118 0.448 0.479 0.600 0.600 CB 0.700 ? Z: 15 27.152 1.872 1.204 0.832 0.929 0.429 CB 1.422 15 residues pruned to eliminate duplicates Z: 11 11.526 1.534 0.741 0.806 1.000 0.700 CB 1.045 17 residues pruned to eliminate duplicates Z: 9 5.496 1.584 0.827 0.299 0.625 0.375 O 1.345 Z: 14 17.440 1.716 1.002 0.882 0.846 0.615 CB 1.205 14 residues pruned to eliminate duplicates Z: 9 2.328 1.452 0.453 0.303 0.625 0.500 CB 0.777 Z: 9 5.388 1.579 0.553 0.435 0.750 0.625 CB 1.107 Z: 19 10.673 1.789 0.555 0.363 0.778 0.556 CB 1.347 19 residues pruned to eliminate duplicates 7 1.728 1.205 0.418 0.291 0.667 0.333 CB 0.783 ? Z: 18 8.203 1.593 0.683 0.467 0.706 0.588 CB 1.088 18 residues pruned to eliminate duplicates Z: 10 5.269 1.557 0.292 0.320 0.889 0.444 CB 1.197 Z: 9 4.014 1.432 0.251 0.411 0.750 0.500 CB 1.160 Z: 9 12.102 1.544 0.935 0.740 1.000 0.625 CB 1.154 9 residues pruned to eliminate duplicates Z: 8 2.846 1.441 0.223 0.735 1.000 0.429 CB 0.494 8 residues pruned to eliminate duplicates Z: 6 4.592 1.397 0.435 0.804 0.800 0.600 CB 0.982 Z: 11 5.461 1.481 0.423 0.532 0.700 0.600 N 1.135 18 residues pruned to eliminate duplicates Z: 13 6.344 1.496 0.364 0.482 0.833 0.500 O 1.097 13 residues pruned to eliminate duplicates 6 1.320 1.602 -0.105 0.616 0.800 0.800 CB 0.461 ? Z: 10 10.234 1.550 1.225 0.519 0.889 0.556 CB 1.092 Z: 8 4.112 1.517 0.423 0.613 0.714 0.571 N 0.906 8 residues pruned to eliminate duplicates Z: 13 4.292 1.340 0.449 0.206 0.750 0.417 N 1.205 Z: 21 10.413 1.780 0.516 0.367 0.800 0.600 CB 1.244 21 residues pruned to eliminate duplicates Z: 9 5.426 1.532 0.860 0.566 0.750 0.375 CB 0.841 9 residues pruned to eliminate duplicates Z: 22 10.820 1.670 0.653 0.382 0.857 0.619 CB 1.131 22 residues pruned to eliminate duplicates 10 1.877 1.472 0.122 0.195 0.556 0.333 CB 0.982 ? Z: 9 6.207 1.340 0.546 0.838 0.875 0.750 O 0.905 9 residues pruned to eliminate duplicates Z: 7 2.624 1.653 0.154 0.713 0.833 0.500 CB 0.556 7 residues pruned to eliminate duplicates Z: 6 2.175 1.225 0.252 0.429 0.800 0.600 CB 0.854 Z: 6 5.367 1.366 0.865 0.586 0.800 0.800 CB 1.085 Z: 7 4.562 1.485 0.207 0.722 0.833 0.833 CB 1.020 Z: 7 4.787 1.774 0.415 0.407 0.833 0.500 CB 1.029 7 residues pruned to eliminate duplicates Z: 8 9.679 1.552 0.835 0.820 1.000 0.714 CB 0.973 8 residues pruned to eliminate duplicates Z: 9 8.675 1.577 0.618 0.531 1.000 0.500 CB 1.166 11 residues pruned to eliminate duplicates Z: 13 7.594 1.550 0.765 0.342 0.833 0.583 N 1.142 Z: 11 4.493 1.544 0.428 0.324 0.700 0.400 CB 1.117 Z: 18 10.971 1.575 0.621 0.418 0.941 0.647 CB 1.207 19 residues pruned to eliminate duplicates Z: 11 7.903 1.486 0.761 0.856 0.900 0.600 CB 0.783 11 residues pruned to eliminate duplicates 6 1.387 1.219 0.122 0.482 0.600 0.600 CB 0.770 ? Z: 13 6.465 1.432 0.278 0.752 0.750 0.583 O 1.086 13 residues pruned to eliminate duplicates Z: 8 4.015 1.471 0.504 0.535 0.714 0.571 CB 0.927 Z: 8 2.123 1.457 0.007 0.430 0.857 0.571 CB 0.686 Z: 6 2.909 1.573 0.462 0.507 0.800 0.400 CB 0.703 Z: 15 8.098 1.540 0.213 0.430 1.000 0.571 CB 1.246 8 residues pruned to eliminate duplicates Z: 10 2.015 1.359 -0.159 0.188 0.778 0.333 O 1.098 Z: 16 5.812 1.436 0.606 0.265 0.867 0.533 CB 0.981 Z: 7 2.490 1.350 0.183 0.490 0.833 0.500 CB 0.772 Z: 8 9.787 1.781 0.224 0.681 1.000 0.714 CB 1.436 8 residues pruned to eliminate duplicates Z: 8 3.752 1.362 0.494 0.222 1.000 0.714 CB 0.966 Z: 9 2.622 1.388 0.638 0.298 0.625 0.500 CB 0.817 Z: 53 34.652 1.834 0.889 0.613 0.962 0.731 CB 1.296 59 residues pruned to eliminate duplicates Z: 10 9.477 1.617 0.471 0.798 0.889 0.667 O 1.150 10 residues pruned to eliminate duplicates Z: 7 3.698 1.045 0.495 0.882 1.000 0.667 CB 0.700 Z: 13 7.667 1.518 0.426 0.771 0.917 0.833 CB 0.878 13 residues pruned to eliminate duplicates Z: 6 4.282 1.668 0.433 0.328 0.800 0.400 N 1.209 3 residues pruned to eliminate duplicates Z: 15 7.065 1.553 0.688 0.363 0.786 0.714 CB 1.062 13 residues pruned to eliminate duplicates Z: 8 4.488 1.548 0.170 0.769 1.000 0.714 CB 0.738 995 residues left after pruning, divided into chains as follows: A: 57 B: 7 C: 14 D: 13 E: 14 F: 19 G: 45 H: 53 I: 6 J: 21 K: 16 L: 11 M: 6 N: 53 O: 11 P: 6 Q: 6 R: 13 S: 6 T: 13 U: 9 V: 12 W: 8 X: 9 Y: 8 Z: 20 Z: 6 Z: 6 Z: 40 Z: 8 Z: 10 Z: 23 Z: 44 Z: 9 Z: 6 Z: 8 Z: 41 Z: 10 Z: 8 Z: 13 Z: 22 Z: 14 Z: 10 Z: 10 Z: 6 Z: 7 Z: 34 Z: 34 Z: 81 Z: 28 Z: 23 Z: 32 Z: 6 CC for partial structure against native data = 38.13 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.648, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.763, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.781, Connect. = 0.775 for dens.mod. cycle 4 = 0.300, Contrast = 0.795, Connect. = 0.776 for dens.mod. cycle 5 = 0.300, Contrast = 0.801, Connect. = 0.778 for dens.mod. cycle 6 = 0.300, Contrast = 0.805, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.806, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.806, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.805, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3671 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 993 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 11.610 1.940 0.590 0.480 0.778 0.611 CB 1.164 B: 22 22.424 1.932 0.536 0.825 0.905 0.619 CB 1.375 C: 21 28.000 1.917 0.606 0.901 1.000 0.900 CB 1.451 D: 21 30.638 1.917 0.720 0.902 1.000 0.850 CB 1.482 21 residues pruned to eliminate duplicates E: 9 4.844 1.822 0.407 0.316 0.625 0.250 CB 1.309 F: 17 23.828 1.842 0.844 0.825 0.938 0.750 CB 1.411 G: 50 31.517 1.950 0.759 0.605 0.878 0.612 CB 1.354 22 residues pruned to eliminate duplicates H: 21 11.452 1.825 0.514 0.416 0.700 0.400 CB 1.444 I: 23 28.616 2.066 0.550 0.889 1.000 0.818 CB 1.371 23 residues pruned to eliminate duplicates J: 20 34.348 2.013 1.021 0.879 1.000 0.368 CB 1.404 28 residues pruned to eliminate duplicates K: 12 15.760 1.818 0.635 0.854 0.909 0.636 CB 1.298 L: 12 17.394 1.857 0.835 0.869 1.000 0.909 CB 1.124 M: 20 12.507 1.797 0.726 0.360 0.895 0.368 CB 1.202 N: 22 30.075 2.087 0.878 0.868 0.905 0.857 CB 1.353 23 residues pruned to eliminate duplicates O: 22 12.811 1.960 0.626 0.410 0.762 0.571 CB 1.265 18 residues pruned to eliminate duplicates P: 14 17.347 1.800 0.733 0.896 0.923 0.769 CB 1.197 12 residues pruned to eliminate duplicates Q: 7 11.408 1.936 0.561 0.676 0.833 0.667 CB 1.572 7 residues pruned to eliminate duplicates R: 8 4.581 1.649 0.286 0.226 0.857 0.143 CB 1.311 S: 9 8.449 1.654 0.575 0.770 0.875 0.750 CB 1.032 T: 8 9.443 1.800 0.748 0.795 0.857 0.857 O 1.022 U: 14 3.980 1.842 0.123 0.228 0.846 0.385 CB 0.866 V: 10 12.191 1.833 0.696 0.878 1.000 0.778 CB 0.949 W: 16 29.312 2.026 0.894 0.870 1.000 0.733 CB 1.440 16 residues pruned to eliminate duplicates X: 12 18.459 1.832 1.005 0.908 0.909 0.909 CB 1.184 8 residues pruned to eliminate duplicates Y: 18 21.474 1.865 0.646 0.786 0.882 0.647 N 1.494 Z: 15 6.667 1.552 0.672 0.494 0.786 0.429 CB 0.879 15 residues pruned to eliminate duplicates Z: 21 23.840 1.890 0.559 0.886 0.900 0.850 CB 1.451 21 residues pruned to eliminate duplicates Z: 24 26.776 1.989 0.609 0.807 0.957 0.739 CB 1.396 24 residues pruned to eliminate duplicates Z: 20 39.060 2.096 0.949 0.941 1.000 1.000 CB 1.523 20 residues pruned to eliminate duplicates Z: 17 30.016 1.942 1.077 0.912 0.938 0.688 CB 1.406 17 residues pruned to eliminate duplicates Z: 22 22.656 1.902 0.563 0.866 0.952 0.810 CB 1.279 22 residues pruned to eliminate duplicates Z: 8 7.300 1.700 0.602 0.614 0.714 0.429 O 1.274 Z: 10 6.625 1.558 0.802 0.561 0.778 0.444 CB 0.953 Z: 25 28.466 1.953 0.694 0.895 1.000 0.750 CB 1.259 25 residues pruned to eliminate duplicates Z: 10 7.397 1.657 0.621 0.445 0.778 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 6 2.235 1.468 0.536 0.296 0.600 0.400 CB 0.929 Z: 25 32.187 2.049 0.686 0.895 1.000 0.750 CB 1.364 25 residues pruned to eliminate duplicates Z: 9 10.171 1.954 0.834 0.412 1.000 0.750 CB 1.100 Z: 9 4.041 1.623 0.081 0.365 0.750 0.375 CB 1.254 Z: 21 23.179 1.889 0.391 0.916 1.000 1.000 CB 1.393 21 residues pruned to eliminate duplicates Z: 17 30.053 1.940 0.834 0.897 1.000 0.938 CB 1.511 17 residues pruned to eliminate duplicates Z: 9 7.828 1.698 0.443 0.584 0.750 0.500 CB 1.389 Z: 17 9.242 1.816 0.778 0.406 0.688 0.375 CB 1.148 18 residues pruned to eliminate duplicates Z: 7 3.068 1.699 0.362 0.316 0.667 0.333 CB 0.995 Z: 12 8.827 1.890 0.351 0.440 0.727 0.364 CB 1.525 Z: 12 9.959 1.810 0.385 0.856 0.909 0.909 CB 0.972 11 residues pruned to eliminate duplicates Z: 17 18.700 1.845 0.573 0.755 0.938 0.562 CB 1.369 Z: 21 26.206 1.862 0.590 0.917 1.000 1.000 CB 1.397 21 residues pruned to eliminate duplicates Z: 20 34.625 1.933 0.917 0.903 1.000 0.842 CB 1.528 21 residues pruned to eliminate duplicates Z: 8 8.303 1.786 0.504 0.634 0.857 0.286 N 1.202 8 residues pruned to eliminate duplicates Z: 6 3.758 2.039 0.706 0.643 0.800 0.600 CB 0.528 Z: 11 13.834 1.761 0.721 0.674 0.900 0.600 CB 1.366 Z: 23 27.062 2.019 0.691 0.862 1.000 0.773 CB 1.241 23 residues pruned to eliminate duplicates Z: 37 18.422 1.840 0.635 0.559 0.833 0.556 CB 1.157 Z: 16 16.919 1.747 0.968 0.753 0.800 0.667 O 1.268 Z: 17 8.089 1.674 0.543 0.374 0.812 0.438 CB 1.103 Z: 12 9.618 1.807 0.308 0.412 0.909 0.727 CB 1.481 11 residues pruned to eliminate duplicates Z: 22 11.870 1.906 0.590 0.486 0.762 0.429 CB 1.138 14 residues pruned to eliminate duplicates Z: 14 16.110 1.706 0.582 0.886 1.000 0.923 CB 1.195 Z: 7 3.122 1.782 0.340 0.353 0.667 0.333 CB 0.939 Z: 18 21.607 1.836 0.582 0.836 0.941 0.765 CB 1.435 18 residues pruned to eliminate duplicates Z: 16 17.377 1.878 0.865 0.841 0.800 0.733 CB 1.194 16 residues pruned to eliminate duplicates Z: 10 12.167 1.842 0.849 0.696 0.667 0.444 CB 1.492 10 residues pruned to eliminate duplicates Z: 29 10.202 1.755 0.378 0.376 0.714 0.321 CB 1.274 Z: 9 3.788 1.705 0.481 0.279 0.625 0.500 CB 1.090 Z: 6 6.300 1.885 0.638 0.863 1.000 0.800 CB 0.670 6 residues pruned to eliminate duplicates Z: 6 2.817 1.797 1.188 0.816 0.800 0.800 CB 0.304 Z: 21 17.706 1.822 0.583 0.685 0.850 0.650 CB 1.362 21 residues pruned to eliminate duplicates Z: 13 10.296 1.897 0.351 0.371 0.833 0.500 CB 1.597 12 residues pruned to eliminate duplicates Z: 8 10.502 1.930 0.549 0.790 0.857 0.857 CB 1.201 8 residues pruned to eliminate duplicates Z: 9 9.764 1.736 0.391 0.877 0.875 0.625 CB 1.187 Z: 26 14.531 1.934 0.632 0.399 0.880 0.520 CB 1.164 34 residues pruned to eliminate duplicates Z: 11 11.298 1.860 0.262 0.876 0.900 0.900 CB 1.229 11 residues pruned to eliminate duplicates Z: 10 17.773 1.762 0.983 0.774 0.889 0.667 CB 1.498 10 residues pruned to eliminate duplicates Z: 7 4.712 2.049 0.306 0.477 0.833 0.500 CB 0.883 Z: 7 13.526 1.751 0.951 0.849 0.833 0.833 CB 1.438 10 residues pruned to eliminate duplicates Z: 8 5.450 1.625 0.450 0.397 0.857 0.286 CB 1.137 7 residues pruned to eliminate duplicates Z: 10 13.752 1.791 0.725 0.816 0.889 0.667 O 1.268 9 residues pruned to eliminate duplicates Z: 11 15.793 1.687 1.062 0.794 0.800 0.700 O 1.386 11 residues pruned to eliminate duplicates Z: 15 10.063 1.888 0.821 0.357 0.857 0.571 CB 1.065 15 residues pruned to eliminate duplicates Z: 25 7.029 1.873 0.321 0.224 0.667 0.375 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 8.660 1.788 0.618 0.381 0.727 0.545 CB 1.409 7 residues pruned to eliminate duplicates Z: 11 12.249 1.771 0.799 0.786 1.000 0.700 CB 0.945 11 residues pruned to eliminate duplicates Z: 17 18.392 1.831 0.724 0.876 0.938 0.875 CB 1.129 17 residues pruned to eliminate duplicates Z: 13 13.164 1.830 0.591 0.760 0.750 0.500 CB 1.382 13 residues pruned to eliminate duplicates Z: 17 18.772 1.829 0.889 0.837 0.750 0.688 CB 1.355 17 residues pruned to eliminate duplicates Z: 14 5.662 1.842 0.923 0.615 0.846 0.846 CB 0.470 Z: 15 12.182 1.628 0.668 0.847 0.929 0.929 CB 0.958 14 residues pruned to eliminate duplicates Z: 11 7.744 1.940 0.198 0.304 0.900 0.500 CB 1.456 Z: 8 11.597 1.976 0.786 0.479 0.857 0.714 CB 1.481 8 residues pruned to eliminate duplicates Z: 13 5.944 1.454 0.207 0.467 1.000 0.500 CB 1.011 Z: 21 14.748 1.831 0.797 0.574 0.900 0.500 CB 1.036 14 residues pruned to eliminate duplicates Z: 25 19.954 1.834 0.636 0.608 0.917 0.625 CB 1.336 22 residues pruned to eliminate duplicates Z: 9 15.676 1.843 0.848 0.811 1.000 0.375 CB 1.241 Z: 15 13.284 1.820 0.574 0.606 0.929 0.357 CB 1.207 23 residues pruned to eliminate duplicates Z: 13 7.274 1.591 0.734 0.366 0.750 0.583 CB 1.172 13 residues pruned to eliminate duplicates Z: 10 14.738 1.758 0.721 0.877 1.000 0.667 CB 1.179 Z: 15 23.149 1.864 0.795 0.857 1.000 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 7 3.744 1.924 0.690 0.670 0.500 0.333 CB 0.803 7 residues pruned to eliminate duplicates Z: 6 3.482 1.403 0.517 0.535 0.800 0.400 O 0.883 Z: 8 12.121 1.655 0.520 0.806 1.000 0.571 CB 1.394 8 residues pruned to eliminate duplicates Z: 16 33.601 2.056 1.067 0.909 0.933 0.867 CB 1.552 17 residues pruned to eliminate duplicates Z: 8 10.075 1.823 0.555 0.793 1.000 0.429 CB 1.039 8 residues pruned to eliminate duplicates Z: 14 13.514 1.628 0.598 0.803 1.000 0.692 CB 1.106 Z: 12 18.453 1.767 0.713 0.878 1.000 0.818 CB 1.334 10 residues pruned to eliminate duplicates Z: 7 6.820 1.715 0.342 0.801 1.000 1.000 CB 0.930 Z: 14 16.268 1.807 0.940 0.805 0.846 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 13 17.631 1.772 0.595 0.902 1.000 0.917 CB 1.284 13 residues pruned to eliminate duplicates Z: 22 21.204 2.006 0.963 0.553 0.762 0.429 CB 1.465 30 residues pruned to eliminate duplicates Z: 13 3.907 1.577 0.222 0.293 0.750 0.333 CB 0.985 Z: 10 9.090 1.783 0.520 0.874 1.000 1.000 CB 0.814 3 residues pruned to eliminate duplicates Z: 12 13.901 1.738 0.636 0.863 0.909 0.636 CB 1.189 12 residues pruned to eliminate duplicates Z: 8 10.759 1.928 0.461 0.723 0.857 0.714 CB 1.377 8 residues pruned to eliminate duplicates Z: 13 4.221 1.579 0.447 0.590 0.833 0.583 CB 0.587 12 residues pruned to eliminate duplicates Z: 13 12.210 1.516 0.599 0.891 1.000 0.917 CB 1.045 8 residues pruned to eliminate duplicates Z: 6 6.762 1.667 1.053 0.671 0.800 0.600 CB 0.944 6 residues pruned to eliminate duplicates Z: 12 13.924 1.709 0.475 0.892 1.000 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 8 3.016 1.521 0.505 0.234 0.714 0.571 N 0.950 Z: 37 14.776 1.724 0.423 0.514 0.861 0.583 CB 1.150 22 residues pruned to eliminate duplicates Z: 13 11.843 1.702 0.415 0.824 1.000 0.667 CB 1.072 Z: 16 16.903 1.808 0.599 0.817 1.000 0.600 CB 1.147 16 residues pruned to eliminate duplicates Z: 8 8.651 1.827 0.409 0.793 0.857 0.714 CB 1.146 8 residues pruned to eliminate duplicates Z: 15 19.316 1.848 0.754 0.914 0.929 0.786 CB 1.213 12 residues pruned to eliminate duplicates Z: 13 17.351 1.820 0.554 0.932 1.000 0.917 CB 1.237 13 residues pruned to eliminate duplicates Z: 7 7.311 1.970 0.510 0.839 1.000 0.833 CB 0.749 Z: 25 26.407 1.977 0.834 0.776 0.875 0.625 CB 1.331 25 residues pruned to eliminate duplicates Z: 10 5.901 1.682 0.329 0.440 0.667 0.556 O 1.404 Z: 8 8.396 1.597 0.354 0.829 0.857 0.857 CB 1.289 Z: 17 8.913 1.686 0.258 0.542 0.875 0.562 CB 1.153 Z: 16 25.403 1.852 1.196 0.921 0.933 0.600 CB 1.216 24 residues pruned to eliminate duplicates Z: 12 7.696 1.702 0.632 0.802 0.909 0.727 CB 0.705 8 residues pruned to eliminate duplicates Z: 13 14.606 1.802 0.480 0.874 1.000 1.000 CB 1.151 13 residues pruned to eliminate duplicates Z: 9 6.010 1.694 0.116 0.591 0.875 0.625 CB 1.178 Z: 9 10.679 1.745 0.656 0.886 0.875 0.875 CB 1.077 9 residues pruned to eliminate duplicates Z: 14 18.056 1.726 0.830 0.849 1.000 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 7 11.986 1.959 0.625 0.840 0.833 0.667 CB 1.376 Z: 29 15.450 1.749 0.530 0.439 0.893 0.393 CB 1.302 48 residues pruned to eliminate duplicates Z: 13 4.575 1.584 0.200 0.312 0.833 0.333 CB 1.026 Z: 12 16.684 1.905 0.537 0.871 1.000 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 9 4.811 1.750 0.875 0.355 0.625 0.375 CB 0.970 9 residues pruned to eliminate duplicates Z: 6 3.878 1.823 0.250 0.422 0.600 0.600 CB 1.375 Z: 8 2.810 1.586 0.566 0.209 0.571 0.571 CB 1.056 Z: 6 3.709 1.725 0.598 0.300 0.800 0.600 CB 0.941 Z: 12 12.983 1.692 0.403 0.854 0.909 0.909 CB 1.340 Z: 10 4.623 1.898 0.036 0.253 0.778 0.556 CB 1.338 10 residues pruned to eliminate duplicates Z: 10 6.858 1.655 0.147 0.904 1.000 0.778 CB 0.858 Z: 6 4.844 1.643 0.179 0.589 0.800 0.400 CB 1.283 Z: 7 3.903 1.515 0.359 0.563 0.667 0.333 O 1.093 7 residues pruned to eliminate duplicates Z: 21 10.378 1.806 0.469 0.494 0.700 0.400 CB 1.257 7 residues pruned to eliminate duplicates Z: 17 18.038 1.747 0.676 0.876 0.938 0.688 CB 1.194 16 residues pruned to eliminate duplicates Z: 46 19.669 1.885 0.610 0.507 0.867 0.600 CB 1.107 55 residues pruned to eliminate duplicates Z: 14 10.939 1.869 0.295 0.847 1.000 0.692 CB 0.931 14 residues pruned to eliminate duplicates Z: 29 14.739 1.771 0.534 0.493 0.929 0.679 CB 1.112 29 residues pruned to eliminate duplicates Z: 10 4.467 1.742 0.280 0.731 0.889 0.556 CB 0.611 6 residues pruned to eliminate duplicates Z: 14 19.445 1.883 0.797 0.887 1.000 0.692 CB 1.149 14 residues pruned to eliminate duplicates Z: 9 15.349 1.811 0.737 0.855 1.000 0.750 CB 1.273 9 residues pruned to eliminate duplicates Z: 21 26.828 1.863 0.950 0.899 0.950 0.650 CB 1.243 20 residues pruned to eliminate duplicates Z: 15 20.771 1.826 0.686 0.836 1.000 0.643 CB 1.349 15 residues pruned to eliminate duplicates Z: 7 9.487 1.749 0.828 0.902 1.000 1.000 CB 0.864 8 1.865 1.361 0.394 0.476 0.857 0.714 CB 0.444 ? Z: 7 5.486 1.683 1.356 0.250 0.667 0.500 N 1.130 Z: 17 19.246 1.825 0.689 0.849 0.812 0.750 CB 1.424 17 residues pruned to eliminate duplicates Z: 6 9.208 1.832 0.868 0.778 0.800 0.800 CB 1.177 6 residues pruned to eliminate duplicates Z: 21 28.184 1.898 0.863 0.897 0.950 0.850 CB 1.343 21 residues pruned to eliminate duplicates Z: 10 8.172 1.756 0.682 0.822 1.000 0.778 CB 0.698 Z: 9 3.458 1.589 0.263 0.322 0.750 0.750 CB 0.988 Z: 14 10.161 1.789 0.926 0.516 0.846 0.615 CB 0.952 14 residues pruned to eliminate duplicates Z: 6 2.019 1.552 0.606 0.224 0.600 0.200 CB 0.834 Z: 7 2.170 1.446 0.044 0.528 0.833 0.500 CB 0.685 Z: 9 8.758 1.724 0.591 0.838 1.000 0.625 CB 0.844 9 residues pruned to eliminate duplicates Z: 12 11.577 1.741 0.334 0.831 0.909 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 6 5.460 1.802 0.811 0.328 0.600 0.400 O 1.505 6 residues pruned to eliminate duplicates 6 0.858 1.792 -0.573 0.400 0.800 0.400 CB 0.696 ? Z: 11 14.539 1.792 0.555 0.856 0.900 0.500 CB 1.351 13 residues pruned to eliminate duplicates Z: 14 9.067 1.643 0.397 0.573 0.923 0.615 CB 1.106 16 residues pruned to eliminate duplicates Z: 6 2.680 1.510 0.028 0.459 0.600 0.400 O 1.343 Z: 10 8.861 1.658 0.404 0.754 0.889 0.778 CB 1.138 9 residues pruned to eliminate duplicates Z: 9 8.652 1.715 0.509 0.752 0.875 0.750 CB 1.079 Z: 13 13.223 1.698 0.660 0.867 0.917 0.750 CB 1.080 12 residues pruned to eliminate duplicates Z: 11 14.434 1.674 0.836 0.872 1.000 0.900 CB 1.083 Z: 15 7.386 1.759 0.375 0.355 0.714 0.429 CB 1.335 15 residues pruned to eliminate duplicates Z: 7 4.555 1.714 0.755 0.406 0.500 0.333 CB 1.365 Z: 10 9.789 1.690 0.777 0.771 0.667 0.556 CB 1.282 Z: 16 31.998 2.035 1.059 0.917 0.933 0.867 CB 1.491 16 residues pruned to eliminate duplicates Z: 11 7.119 1.562 0.558 0.634 1.000 0.800 CB 0.816 10 residues pruned to eliminate duplicates Z: 9 18.041 1.716 0.864 0.864 1.000 0.875 N 1.462 10 residues pruned to eliminate duplicates Z: 23 16.352 1.896 0.556 0.632 0.864 0.636 CB 1.208 24 residues pruned to eliminate duplicates Z: 10 13.310 1.818 0.486 0.866 1.000 0.889 CB 1.202 10 residues pruned to eliminate duplicates Z: 8 5.396 1.452 0.277 0.816 0.857 0.714 CB 0.975 Z: 10 11.402 1.553 0.888 0.847 0.889 0.778 CB 1.083 10 residues pruned to eliminate duplicates Z: 30 12.583 1.715 0.564 0.455 0.828 0.414 CB 1.102 26 residues pruned to eliminate duplicates Z: 7 3.097 1.715 0.321 0.401 0.667 0.333 CB 0.930 Z: 17 7.093 1.649 0.171 0.434 0.938 0.375 CB 1.049 Z: 7 3.130 1.732 0.477 0.282 0.667 0.333 CB 0.958 Z: 10 9.733 1.442 0.848 0.796 0.889 0.667 N 1.058 8 residues pruned to eliminate duplicates 8 1.944 1.493 0.696 0.463 0.429 0.429 N 0.703 ? Z: 13 13.937 1.618 0.579 0.854 1.000 0.667 CB 1.163 6 1.726 1.460 0.108 0.266 0.800 0.200 N 0.778 ? Z: 11 6.911 1.719 0.495 0.455 0.700 0.300 CB 1.272 11 residues pruned to eliminate duplicates Z: 13 14.846 1.724 0.646 0.872 0.917 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 13 4.758 1.646 0.868 0.141 0.583 0.417 CB 1.195 Z: 6 3.922 1.709 0.148 0.766 0.800 0.400 CB 0.883 Z: 6 5.557 1.594 0.615 0.706 0.800 0.400 CB 1.000 6 residues pruned to eliminate duplicates Z: 6 3.922 1.361 0.716 0.261 0.800 0.400 CB 1.233 Z: 33 14.882 1.888 0.607 0.292 0.812 0.500 CB 1.347 24 residues pruned to eliminate duplicates Z: 8 10.294 1.654 0.443 0.839 1.000 0.857 CB 1.218 8 residues pruned to eliminate duplicates Z: 15 13.832 1.770 0.398 0.870 1.000 0.929 CB 1.090 14 residues pruned to eliminate duplicates Z: 15 12.285 1.646 0.425 0.828 0.929 0.714 CB 1.135 15 residues pruned to eliminate duplicates Z: 9 5.541 1.523 0.346 0.538 0.750 0.500 CB 1.228 6 residues pruned to eliminate duplicates Z: 20 30.496 1.882 0.935 0.937 1.000 0.684 CB 1.337 20 residues pruned to eliminate duplicates Z: 7 7.473 1.555 0.490 0.737 0.833 0.500 O 1.277 7 residues pruned to eliminate duplicates Z: 10 2.714 1.662 0.563 0.388 0.778 0.444 CB 0.504 10 residues pruned to eliminate duplicates Z: 8 10.666 1.655 0.654 0.801 0.857 0.714 N 1.320 Z: 30 20.055 1.831 0.672 0.477 0.862 0.448 CB 1.444 50 residues pruned to eliminate duplicates Z: 8 4.201 1.527 -0.013 0.495 0.857 0.286 CB 1.235 Z: 11 8.201 1.508 0.646 0.797 0.900 0.800 CB 0.895 Z: 19 14.671 1.905 0.664 0.564 0.833 0.556 CB 1.230 18 residues pruned to eliminate duplicates Z: 7 8.469 1.673 0.610 0.711 0.833 0.500 O 1.272 Z: 7 3.552 1.650 0.037 0.280 0.833 0.333 N 1.303 Z: 7 5.086 1.662 0.902 0.686 0.833 0.667 CB 0.665 5 residues pruned to eliminate duplicates Z: 8 6.223 1.944 0.154 0.274 0.857 0.429 O 1.580 8 residues pruned to eliminate duplicates Z: 6 2.674 1.940 0.520 0.843 1.000 1.000 CB 0.302 6 residues pruned to eliminate duplicates Z: 11 10.004 1.537 0.738 0.904 1.000 1.000 CB 0.843 Z: 17 10.779 1.780 0.660 0.375 0.750 0.375 CB 1.390 8 residues pruned to eliminate duplicates 6 1.749 1.476 0.057 0.262 0.800 0.800 CB 0.822 ? Z: 10 7.005 1.444 0.480 0.742 0.889 0.667 CB 0.989 Z: 12 4.792 1.662 0.417 0.350 0.727 0.545 CB 0.992 Z: 7 8.204 1.513 0.384 0.745 1.000 0.833 O 1.285 Z: 7 7.310 1.691 0.333 0.834 0.833 0.833 CB 1.190 Z: 13 11.258 1.624 0.852 0.788 0.750 0.667 CB 1.118 13 residues pruned to eliminate duplicates Z: 8 4.036 1.430 0.369 0.817 0.857 0.714 CB 0.690 8 residues pruned to eliminate duplicates Z: 31 14.457 1.854 0.563 0.345 0.833 0.467 CB 1.294 31 residues pruned to eliminate duplicates Z: 16 13.688 1.801 0.918 0.841 0.867 0.600 CB 0.880 16 residues pruned to eliminate duplicates Z: 33 21.783 1.797 0.791 0.684 0.781 0.594 CB 1.293 33 residues pruned to eliminate duplicates Z: 8 6.148 1.551 0.605 0.749 0.857 0.857 CB 0.872 Z: 9 17.937 1.922 0.675 0.849 1.000 0.875 O 1.460 9 residues pruned to eliminate duplicates Z: 23 16.748 1.836 0.778 0.633 0.818 0.455 CB 1.180 23 residues pruned to eliminate duplicates Z: 6 4.038 1.510 0.716 0.295 1.000 0.400 CB 0.876 Z: 9 3.361 1.578 0.076 0.406 0.750 0.500 CB 1.030 Z: 30 14.622 1.835 0.455 0.409 0.862 0.483 CB 1.297 32 residues pruned to eliminate duplicates Z: 16 12.345 1.830 0.610 0.714 0.800 0.467 CB 1.114 16 residues pruned to eliminate duplicates Z: 16 15.827 1.869 0.588 0.890 0.933 0.933 CB 1.061 16 residues pruned to eliminate duplicates Z: 14 8.429 1.434 0.528 0.800 0.846 0.385 CB 0.970 Z: 10 3.961 1.683 0.116 0.353 0.778 0.556 CB 1.060 Z: 14 16.737 1.785 0.793 0.815 0.846 0.538 CB 1.303 12 residues pruned to eliminate duplicates Z: 9 8.353 1.707 0.587 0.308 1.000 0.625 CB 1.349 Z: 9 5.791 1.635 0.732 0.413 0.750 0.375 N 1.056 9 residues pruned to eliminate duplicates Z: 16 8.013 1.712 0.232 0.520 0.867 0.667 CB 1.111 18 residues pruned to eliminate duplicates Z: 12 6.689 1.637 0.783 0.301 0.636 0.455 CB 1.355 16 residues pruned to eliminate duplicates Z: 25 35.865 2.026 0.858 0.877 1.000 0.875 CB 1.412 25 residues pruned to eliminate duplicates Z: 10 8.387 1.527 0.455 0.831 0.889 0.556 O 1.064 4 residues pruned to eliminate duplicates Z: 6 6.440 1.654 0.309 0.821 1.000 0.800 CB 1.007 Z: 8 5.187 1.559 0.300 0.612 0.857 0.429 CB 1.014 Z: 23 14.381 1.906 0.566 0.371 0.864 0.455 CB 1.365 29 residues pruned to eliminate duplicates Z: 9 2.077 1.451 0.129 0.341 0.500 0.250 CB 1.066 Z: 8 4.934 2.067 -0.047 0.223 0.857 0.429 CB 1.528 8 residues pruned to eliminate duplicates Z: 8 8.014 1.539 0.410 0.871 1.000 0.857 CB 1.018 6 residues pruned to eliminate duplicates Z: 7 4.339 1.531 0.476 0.570 0.667 0.500 CB 1.099 7 residues pruned to eliminate duplicates Z: 8 3.298 1.652 0.578 0.214 0.571 0.429 CB 1.172 8 residues pruned to eliminate duplicates Z: 14 14.422 1.755 0.711 0.823 1.000 0.538 CB 1.007 12 residues pruned to eliminate duplicates Z: 9 9.728 1.819 0.806 0.895 0.875 0.500 CB 0.858 9 residues pruned to eliminate duplicates Z: 9 3.626 1.328 0.591 0.276 0.875 0.375 O 0.894 Z: 8 3.109 1.601 0.320 0.443 0.714 0.429 CB 0.826 Z: 13 23.900 1.911 0.788 0.885 1.000 0.750 O 1.458 14 residues pruned to eliminate duplicates Z: 7 9.151 1.491 0.827 0.726 1.000 0.500 N 1.119 Z: 16 35.281 1.975 1.236 0.915 1.000 0.867 CB 1.458 16 residues pruned to eliminate duplicates Z: 24 24.897 1.970 0.627 0.848 0.957 0.609 CB 1.256 24 residues pruned to eliminate duplicates Z: 7 6.267 1.624 0.280 0.771 1.000 0.833 CB 0.968 Z: 15 11.051 1.810 0.588 0.781 0.929 0.643 CB 0.864 15 residues pruned to eliminate duplicates Z: 7 2.852 1.670 0.182 0.214 0.833 0.500 CB 0.992 7 residues pruned to eliminate duplicates Z: 6 2.103 1.308 0.761 0.469 0.600 0.400 CB 0.703 Z: 11 8.748 1.571 0.815 0.723 0.800 0.600 CB 0.992 11 residues pruned to eliminate duplicates Z: 10 5.929 1.904 0.227 0.399 0.778 0.333 CB 1.210 Z: 16 10.201 1.750 0.443 0.385 0.867 0.600 CB 1.359 12 residues pruned to eliminate duplicates Z: 14 9.471 1.962 0.322 0.411 0.769 0.462 CB 1.445 11 residues pruned to eliminate duplicates Z: 10 8.463 1.713 0.737 0.845 0.667 0.222 CB 1.058 10 residues pruned to eliminate duplicates Z: 14 14.152 1.776 0.515 0.902 0.923 0.538 CB 1.127 14 residues pruned to eliminate duplicates Z: 12 5.846 1.632 0.248 0.429 0.818 0.273 N 1.138 9 residues pruned to eliminate duplicates Z: 12 6.272 1.609 0.302 0.424 0.818 0.545 CB 1.194 Z: 6 2.421 1.518 0.002 0.283 0.800 0.600 CB 1.137 Z: 6 3.400 1.822 0.161 0.849 1.000 0.800 CB 0.533 Z: 8 10.382 1.884 0.471 0.841 1.000 0.714 CB 1.055 Z: 11 11.153 1.762 0.615 0.768 0.800 0.700 O 1.222 11 residues pruned to eliminate duplicates Z: 7 8.761 1.768 0.757 0.858 1.000 0.833 CB 0.848 7 residues pruned to eliminate duplicates Z: 18 14.304 1.747 0.779 0.600 0.824 0.471 N 1.232 18 residues pruned to eliminate duplicates Z: 10 10.355 1.657 0.642 0.824 0.889 0.778 CB 1.077 10 residues pruned to eliminate duplicates Z: 19 22.556 1.765 0.646 0.767 1.000 0.611 O 1.445 24 residues pruned to eliminate duplicates Z: 12 6.787 1.758 0.601 0.246 0.727 0.364 O 1.339 8 residues pruned to eliminate duplicates Z: 27 10.910 1.813 0.474 0.453 0.692 0.308 CB 1.213 27 residues pruned to eliminate duplicates Z: 14 16.273 1.726 0.542 0.859 1.000 0.692 CB 1.248 14 residues pruned to eliminate duplicates Z: 26 18.752 1.821 0.777 0.546 0.880 0.520 CB 1.260 26 residues pruned to eliminate duplicates Z: 42 19.370 1.947 0.624 0.391 0.829 0.439 CB 1.294 36 residues pruned to eliminate duplicates Z: 8 7.674 1.730 0.478 0.529 0.857 0.429 CB 1.286 6 residues pruned to eliminate duplicates Z: 6 2.732 1.388 0.409 0.357 0.800 0.400 CB 0.910 Z: 11 3.450 1.591 0.546 0.184 0.800 0.200 CB 0.811 Z: 10 6.368 1.663 0.377 0.390 0.778 0.556 O 1.338 10 residues pruned to eliminate duplicates Z: 7 4.232 1.396 0.503 0.409 0.833 0.667 C 1.088 Z: 12 4.047 1.543 0.389 0.479 0.545 0.273 CB 1.067 12 residues pruned to eliminate duplicates Z: 8 3.983 1.473 0.333 0.266 0.857 0.571 CB 1.167 Z: 8 8.496 1.758 0.495 0.877 1.000 1.000 CB 0.887 8 residues pruned to eliminate duplicates Z: 9 5.595 1.457 0.872 0.870 1.000 0.750 CB 0.530 7 1.457 1.635 0.349 0.145 0.500 0.500 CB 0.835 ? Z: 11 6.709 1.395 0.999 0.792 0.900 0.800 CB 0.654 Z: 8 4.384 1.575 0.024 0.380 0.857 0.571 CB 1.361 Z: 10 14.092 1.685 0.819 0.842 1.000 0.667 CB 1.141 10 residues pruned to eliminate duplicates Z: 10 6.999 1.574 0.389 0.828 0.778 0.556 CB 1.033 Z: 8 3.862 1.474 0.740 0.489 0.429 0.429 O 1.342 Z: 8 5.733 1.611 0.381 0.750 0.714 0.571 CB 1.091 8 residues pruned to eliminate duplicates Z: 19 11.012 1.611 0.466 0.864 0.889 0.722 CB 0.906 6 residues pruned to eliminate duplicates Z: 11 6.545 1.681 0.475 0.414 0.800 0.300 CB 1.142 Z: 7 8.280 1.664 0.549 0.739 1.000 0.667 CB 1.059 7 residues pruned to eliminate duplicates Z: 17 4.319 1.583 0.308 0.255 0.750 0.375 CB 0.921 11 residues pruned to eliminate duplicates Z: 8 5.972 1.512 0.560 0.651 0.857 0.571 CB 0.970 8 residues pruned to eliminate duplicates Z: 7 6.304 1.699 0.746 0.860 1.000 0.667 CB 0.638 7 residues pruned to eliminate duplicates Z: 7 4.458 1.553 0.595 0.263 0.833 0.500 CB 1.156 Z: 8 4.112 1.765 0.385 0.453 0.714 0.429 CB 0.934 Z: 11 4.190 1.538 0.367 0.251 0.700 0.400 CB 1.199 Z: 7 2.339 1.614 0.437 0.309 0.500 0.167 CB 1.018 Z: 7 5.096 1.546 0.187 0.886 1.000 1.000 CB 0.818 7 residues pruned to eliminate duplicates Z: 10 9.788 1.615 0.459 0.851 1.000 0.778 CB 1.025 8 1.790 1.476 0.329 0.310 0.714 0.429 CB 0.596 ? Z: 14 10.332 1.606 0.452 0.778 0.769 0.538 CB 1.250 14 residues pruned to eliminate duplicates Z: 7 2.777 1.615 0.237 0.216 0.667 0.500 CB 1.189 7 residues pruned to eliminate duplicates Z: 21 12.064 1.685 0.592 0.507 0.750 0.500 CB 1.331 21 residues pruned to eliminate duplicates Z: 9 12.462 1.662 0.765 0.870 1.000 0.875 CB 1.097 8 residues pruned to eliminate duplicates Z: 14 13.822 1.834 0.416 0.757 0.923 0.615 CB 1.271 10 residues pruned to eliminate duplicates Z: 12 8.375 1.518 0.439 0.902 1.000 0.909 O 0.824 12 residues pruned to eliminate duplicates Z: 8 4.136 1.430 0.648 0.400 0.714 0.429 CB 1.032 Z: 6 9.013 1.682 0.288 0.797 1.000 1.000 O 1.434 6 residues pruned to eliminate duplicates Z: 21 8.635 1.753 0.374 0.343 0.850 0.550 CB 1.118 11 residues pruned to eliminate duplicates Z: 12 3.908 1.498 0.698 0.272 0.545 0.273 CB 1.100 Z: 11 8.700 1.886 0.115 0.447 0.900 0.300 CB 1.535 11 residues pruned to eliminate duplicates Z: 7 7.097 1.572 0.526 0.896 1.000 1.000 CB 0.865 Z: 10 4.415 1.580 0.254 0.683 0.778 0.556 CB 0.807 11 residues pruned to eliminate duplicates Z: 6 6.128 1.611 0.656 0.761 0.800 0.600 CB 1.018 Z: 15 5.094 1.531 0.080 0.547 0.714 0.429 CB 1.101 12 residues pruned to eliminate duplicates Z: 14 8.297 1.646 0.212 0.582 0.923 0.692 CB 1.155 19 residues pruned to eliminate duplicates Z: 7 2.008 1.432 0.066 0.252 0.833 0.333 CB 0.857 Z: 8 9.032 1.803 0.314 0.861 1.000 1.000 CB 1.059 8 residues pruned to eliminate duplicates Z: 16 20.503 1.805 0.743 0.883 0.933 0.867 CB 1.303 15 residues pruned to eliminate duplicates Z: 7 6.257 1.480 0.707 0.581 1.000 0.333 CB 0.935 Z: 13 7.072 1.753 0.835 0.259 0.750 0.500 CB 1.116 Z: 6 4.217 1.399 0.553 0.388 0.800 0.400 O 1.223 Z: 6 5.784 1.697 0.741 0.856 0.800 0.600 CB 0.807 6 residues pruned to eliminate duplicates Z: 11 9.153 1.658 0.334 0.838 1.000 0.800 CB 0.978 11 residues pruned to eliminate duplicates Z: 10 5.954 1.792 0.613 0.742 0.889 0.556 CB 0.622 6 residues pruned to eliminate duplicates Z: 12 9.381 1.622 0.739 0.850 0.818 0.636 CB 0.907 Z: 7 6.586 1.718 0.353 0.460 0.833 0.333 N 1.446 8 1.652 1.527 -0.090 0.206 0.571 0.286 CB 1.114 ? 8 1.666 1.592 -0.014 0.085 0.571 0.286 CB 1.199 ? Z: 11 3.157 1.476 0.663 0.288 0.600 0.500 CB 0.861 Z: 11 18.355 1.912 0.902 0.751 0.900 0.700 CB 1.418 11 residues pruned to eliminate duplicates Z: 6 3.854 1.510 0.351 0.603 0.800 0.400 CB 0.957 6 residues pruned to eliminate duplicates Z: 8 6.040 1.471 0.470 0.761 0.857 0.714 CB 0.976 Z: 15 15.543 1.662 0.909 0.843 1.000 0.643 CB 0.975 12 residues pruned to eliminate duplicates Z: 10 7.308 1.701 0.269 0.713 0.889 0.667 CB 1.047 13 residues pruned to eliminate duplicates Z: 7 3.327 1.509 0.093 0.346 0.833 0.500 N 1.168 Z: 11 8.776 1.718 0.542 0.553 1.000 0.800 CB 0.995 9 residues pruned to eliminate duplicates Z: 11 5.268 1.740 0.463 0.475 0.800 0.600 CB 0.839 Z: 8 10.604 1.723 0.704 0.520 1.000 0.571 O 1.338 8 residues pruned to eliminate duplicates Z: 44 14.820 1.765 0.647 0.377 0.767 0.395 CB 1.156 44 residues pruned to eliminate duplicates Z: 11 12.525 1.588 0.578 0.873 1.000 0.800 CB 1.151 11 residues pruned to eliminate duplicates Z: 9 2.635 1.513 0.585 0.259 0.625 0.250 CB 0.819 Z: 15 11.605 1.923 0.718 0.455 0.786 0.357 CB 1.251 15 residues pruned to eliminate duplicates Z: 9 11.999 1.783 0.526 0.888 1.000 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 12 3.621 1.506 0.205 0.301 0.727 0.273 N 1.033 Z: 7 6.857 1.845 0.410 0.399 1.000 0.667 O 1.197 Z: 24 12.916 1.761 0.600 0.530 0.739 0.174 CB 1.255 24 residues pruned to eliminate duplicates Z: 9 8.949 1.641 0.688 0.852 0.750 0.750 CB 1.126 8 residues pruned to eliminate duplicates Z: 7 9.090 1.622 0.759 0.722 0.833 0.500 CB 1.277 Z: 16 8.867 1.765 0.670 0.361 0.800 0.600 CB 1.128 20 residues pruned to eliminate duplicates Z: 7 3.551 1.556 0.709 0.782 0.833 0.667 CB 0.510 Z: 11 5.964 1.503 0.438 0.237 0.900 0.300 CB 1.315 Z: 11 6.846 1.532 0.340 0.912 1.000 0.900 CB 0.747 11 residues pruned to eliminate duplicates Z: 8 6.120 1.624 0.308 0.503 1.000 0.714 CB 1.085 Z: 9 4.019 1.575 0.542 0.854 0.875 0.875 CB 0.494 9 residues pruned to eliminate duplicates Z: 10 9.927 1.639 0.528 0.857 1.000 0.778 CB 0.974 9 residues pruned to eliminate duplicates Z: 6 5.818 1.742 0.501 0.733 0.800 0.600 CB 1.009 Z: 6 3.007 1.378 0.167 0.421 0.800 0.600 C 1.135 Z: 10 4.990 1.673 0.353 0.518 0.889 0.333 CB 0.812 Z: 7 2.046 1.381 0.543 0.241 0.667 0.333 N 0.793 Z: 6 7.237 1.596 0.488 0.733 0.800 0.800 N 1.382 6 residues pruned to eliminate duplicates 9 1.740 1.362 0.306 0.183 0.500 0.500 N 1.014 ? Z: 15 4.414 1.736 0.551 0.340 0.643 0.357 CB 0.812 15 residues pruned to eliminate duplicates Z: 10 6.337 1.711 0.398 0.404 0.778 0.556 O 1.256 10 residues pruned to eliminate duplicates Z: 10 10.143 1.574 0.538 0.807 1.000 0.778 O 1.068 11 residues pruned to eliminate duplicates Z: 7 6.331 1.581 0.410 0.679 0.833 0.667 CB 1.181 7 residues pruned to eliminate duplicates Z: 7 4.821 1.675 0.699 0.787 0.833 0.667 CB 0.645 7 residues pruned to eliminate duplicates Z: 6 3.461 1.598 0.108 0.734 0.800 0.600 CB 0.885 Z: 6 2.979 1.278 0.439 0.533 1.000 0.600 CB 0.701 Z: 8 3.235 1.549 0.229 0.184 0.857 0.429 CB 1.095 Z: 17 10.245 1.768 0.398 0.337 0.938 0.500 CB 1.320 28 residues pruned to eliminate duplicates Z: 15 5.755 1.655 0.319 0.647 0.786 0.286 CB 0.782 15 residues pruned to eliminate duplicates Z: 22 11.078 1.691 0.711 0.342 0.857 0.619 CB 1.158 22 residues pruned to eliminate duplicates Z: 6 4.568 1.640 0.423 0.501 0.800 0.600 CB 1.093 6 residues pruned to eliminate duplicates Z: 28 30.723 1.970 0.857 0.659 1.000 0.704 CB 1.394 28 residues pruned to eliminate duplicates Z: 10 7.367 1.470 0.499 0.632 0.889 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 36 19.375 1.864 0.699 0.495 0.943 0.571 CB 1.102 36 residues pruned to eliminate duplicates Z: 6 2.683 1.599 0.587 0.139 0.800 0.400 N 0.924 Z: 6 2.012 1.265 0.605 0.503 0.800 0.400 N 0.553 Z: 17 17.647 1.605 0.819 0.854 1.000 0.750 CB 1.116 16 residues pruned to eliminate duplicates Z: 8 4.356 1.748 0.061 0.396 0.857 0.571 CB 1.155 Z: 10 4.543 1.564 0.124 0.757 0.889 0.778 CB 0.771 10 residues pruned to eliminate duplicates Z: 6 3.904 1.600 0.330 0.475 0.800 0.400 CB 1.052 Z: 14 12.041 1.929 0.516 0.377 0.923 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 7 3.209 1.536 -0.064 0.540 0.833 0.667 N 1.051 Z: 6 7.059 1.670 0.390 0.561 1.000 1.000 O 1.282 Z: 12 8.844 1.757 0.469 0.540 0.909 0.727 CB 1.092 12 residues pruned to eliminate duplicates Z: 8 5.569 1.596 0.114 0.692 1.000 0.714 CB 0.994 Z: 11 9.023 1.596 0.556 0.820 1.000 0.600 CB 0.871 11 residues pruned to eliminate duplicates Z: 12 5.825 1.430 0.233 0.695 0.818 0.545 O 1.019 12 residues pruned to eliminate duplicates Z: 12 6.295 1.696 0.013 0.487 0.909 0.636 O 1.232 15 residues pruned to eliminate duplicates Z: 6 2.429 1.521 0.260 0.299 0.600 0.400 N 1.182 Z: 7 4.431 1.545 0.183 0.735 0.833 0.667 CB 0.962 Z: 10 6.728 1.659 0.644 0.395 0.778 0.333 CB 1.181 Z: 13 12.210 1.539 0.670 0.873 0.917 0.833 CB 1.090 14 residues pruned to eliminate duplicates Z: 22 6.221 1.550 0.290 0.333 0.810 0.381 CB 1.007 Z: 16 5.233 1.490 0.442 0.379 0.733 0.533 CB 0.975 11 residues pruned to eliminate duplicates Z: 7 4.076 1.491 0.206 0.652 1.000 0.667 CB 0.803 5 residues pruned to eliminate duplicates Z: 42 25.390 1.795 0.740 0.565 0.927 0.683 CB 1.285 42 residues pruned to eliminate duplicates Z: 10 8.181 1.560 0.400 0.850 1.000 0.667 CB 0.925 10 residues pruned to eliminate duplicates Z: 8 2.981 1.427 0.826 0.267 0.714 0.143 N 0.789 Z: 8 9.449 1.491 0.702 0.863 0.857 0.857 CB 1.205 7 residues pruned to eliminate duplicates Z: 6 4.677 1.756 -0.090 0.653 1.000 0.800 CB 1.136 Z: 6 3.201 1.387 0.084 0.567 0.800 0.600 N 1.115 Z: 16 5.215 1.572 0.122 0.427 0.733 0.467 N 1.124 17 residues pruned to eliminate duplicates Z: 14 22.206 1.919 0.607 0.890 1.000 0.923 CB 1.437 14 residues pruned to eliminate duplicates Z: 13 8.689 1.413 0.638 0.803 0.917 0.667 CB 0.907 14 residues pruned to eliminate duplicates Z: 20 10.349 1.610 0.510 0.675 0.895 0.368 CB 0.929 20 residues pruned to eliminate duplicates Z: 6 4.395 1.714 0.821 0.849 1.000 1.000 CB 0.467 Z: 15 15.675 1.790 0.627 0.831 0.929 0.786 CB 1.164 16 residues pruned to eliminate duplicates Z: 32 17.980 1.791 0.644 0.454 0.903 0.677 CB 1.274 32 residues pruned to eliminate duplicates Z: 10 7.551 1.368 0.733 0.853 1.000 0.778 CB 0.785 Z: 6 5.185 1.579 0.401 0.616 0.800 0.800 N 1.174 7 1.941 1.429 0.598 0.557 0.833 0.333 CB 0.394 ? Z: 9 6.048 1.709 0.695 0.728 0.875 0.750 CB 0.687 9 residues pruned to eliminate duplicates Z: 16 11.600 1.842 0.466 0.524 0.867 0.600 CB 1.250 Z: 11 2.477 1.209 0.262 0.227 0.800 0.400 CB 0.883 Z: 13 10.020 1.632 0.133 0.892 1.000 0.750 O 1.124 12 residues pruned to eliminate duplicates 8 1.724 1.414 0.547 0.214 0.571 0.286 CB 0.730 ? Z: 11 5.678 1.784 0.673 0.326 0.500 0.300 CB 1.457 11 residues pruned to eliminate duplicates Z: 11 4.476 1.563 0.495 0.790 0.800 0.600 CB 0.587 Z: 9 13.131 1.788 0.645 0.836 1.000 0.875 CB 1.182 9 residues pruned to eliminate duplicates Z: 14 10.146 1.648 0.146 0.901 1.000 0.923 CB 1.064 12 residues pruned to eliminate duplicates Z: 7 2.997 1.551 0.513 0.309 0.500 0.333 CB 1.289 7 residues pruned to eliminate duplicates Z: 10 4.337 1.458 0.322 0.518 0.778 0.667 CB 0.947 10 residues pruned to eliminate duplicates Z: 7 4.330 1.430 0.474 0.310 1.000 0.500 N 1.035 Z: 12 13.981 1.641 0.700 0.852 0.909 0.545 CB 1.230 11 residues pruned to eliminate duplicates Z: 15 12.200 1.511 0.636 0.873 1.000 0.571 CB 0.960 13 residues pruned to eliminate duplicates Z: 6 2.148 1.611 0.109 0.431 1.000 0.400 CB 0.578 Z: 9 5.465 1.634 0.081 0.439 0.875 0.625 CB 1.332 9 residues pruned to eliminate duplicates Z: 9 5.884 1.637 0.483 0.519 0.875 0.750 CB 0.961 Z: 22 8.896 1.605 0.231 0.545 0.810 0.476 CB 1.162 13 residues pruned to eliminate duplicates Z: 8 7.111 1.603 0.369 0.712 1.000 0.571 CB 1.011 3 residues pruned to eliminate duplicates Z: 8 4.664 1.432 0.666 0.401 0.857 0.286 CB 0.957 Z: 29 15.665 1.879 0.655 0.480 0.821 0.286 CB 1.183 49 residues pruned to eliminate duplicates Z: 7 3.293 1.328 0.659 0.426 0.667 0.500 N 0.988 7 residues pruned to eliminate duplicates Z: 7 3.289 1.296 0.594 0.394 0.833 0.500 CB 0.873 Z: 7 3.070 1.509 0.253 0.818 1.000 0.667 CB 0.503 7 residues pruned to eliminate duplicates Z: 7 2.068 1.614 0.380 0.403 0.500 0.333 CB 0.840 6 residues pruned to eliminate duplicates Z: 9 4.996 1.689 0.321 0.361 0.750 0.625 CB 1.227 Z: 7 4.426 1.166 0.311 0.726 1.000 0.667 CB 0.964 Z: 15 16.634 1.813 0.453 0.851 0.929 0.786 CB 1.346 15 residues pruned to eliminate duplicates Z: 7 3.725 1.446 0.481 0.299 0.833 0.500 N 1.067 Z: 6 2.492 1.525 -0.131 0.435 1.000 0.400 CB 0.900 Z: 36 17.290 1.823 0.646 0.441 0.800 0.457 CB 1.294 36 residues pruned to eliminate duplicates Z: 7 6.193 1.565 0.500 0.870 1.000 0.833 CB 0.786 Z: 12 8.832 1.610 0.269 0.859 0.818 0.818 CB 1.171 12 residues pruned to eliminate duplicates Z: 8 8.219 1.841 0.763 0.516 0.714 0.429 CB 1.319 Z: 10 11.748 1.650 0.573 0.915 1.000 0.889 O 1.067 10 residues pruned to eliminate duplicates Z: 6 3.248 1.212 0.368 0.749 0.800 0.400 CB 0.877 6 residues pruned to eliminate duplicates Z: 7 2.944 1.654 0.111 0.346 0.833 0.500 CB 0.928 7 residues pruned to eliminate duplicates Z: 20 10.398 1.524 0.631 0.512 0.895 0.526 CB 1.059 20 residues pruned to eliminate duplicates Z: 7 3.566 1.168 1.069 0.629 0.833 0.833 CB 0.640 Z: 6 2.380 1.374 0.302 0.437 0.600 0.600 CB 1.058 Z: 15 7.614 1.712 0.544 0.266 0.786 0.429 CB 1.279 15 residues pruned to eliminate duplicates Z: 14 16.281 1.891 0.679 0.575 0.846 0.615 CB 1.564 13 residues pruned to eliminate duplicates Z: 7 4.859 1.633 0.094 0.642 0.833 0.667 CB 1.167 8 residues pruned to eliminate duplicates Z: 7 3.792 1.320 0.451 0.378 0.833 0.833 N 1.105 15 residues pruned to eliminate duplicates Z: 9 3.306 1.562 0.347 0.523 0.750 0.500 CB 0.724 Z: 11 11.207 1.649 0.630 0.931 1.000 1.000 CB 0.921 11 residues pruned to eliminate duplicates 6 1.995 1.648 -0.230 0.425 0.600 0.400 O 1.268 ? Z: 19 5.854 1.636 0.221 0.402 0.667 0.222 CB 1.149 19 residues pruned to eliminate duplicates Z: 10 3.053 1.442 0.273 0.148 0.778 0.444 CB 1.100 Z: 12 6.989 1.514 0.354 0.742 0.818 0.636 CB 1.011 11 residues pruned to eliminate duplicates Z: 8 3.722 1.605 0.186 0.219 1.000 0.286 CB 1.028 8 residues pruned to eliminate duplicates Z: 9 3.126 1.411 0.147 0.381 0.875 0.500 CB 0.886 14 residues pruned to eliminate duplicates 6 1.360 1.522 0.818 0.299 0.600 0.600 CB 0.458 ? Using tripeptides from previous cycle as seeds Z: 15 5.118 1.726 0.514 0.173 0.643 0.429 CB 1.210 15 residues pruned to eliminate duplicates Z: 10 8.424 1.837 0.732 0.228 0.778 0.333 O 1.557 11 residues pruned to eliminate duplicates Z: 12 10.989 1.668 0.565 0.658 0.818 0.727 N 1.340 12 residues pruned to eliminate duplicates Z: 18 8.903 1.730 0.425 0.350 0.706 0.471 CB 1.459 18 residues pruned to eliminate duplicates Z: 14 9.903 1.785 0.670 0.425 0.692 0.231 N 1.439 14 residues pruned to eliminate duplicates Z: 23 9.509 1.824 0.548 0.273 0.636 0.182 CB 1.460 16 residues pruned to eliminate duplicates Z: 6 7.017 1.664 0.769 0.772 0.800 0.600 CB 1.048 6 residues pruned to eliminate duplicates Z: 21 8.669 1.777 0.612 0.385 0.700 0.500 CB 1.093 21 residues pruned to eliminate duplicates Z: 23 11.202 1.823 0.495 0.318 0.727 0.409 CB 1.473 24 residues pruned to eliminate duplicates Z: 8 6.812 1.666 0.396 0.635 1.000 0.857 CB 0.975 8 residues pruned to eliminate duplicates Z: 12 5.761 1.714 0.454 0.447 0.727 0.273 CB 1.012 12 residues pruned to eliminate duplicates Z: 15 6.866 1.721 0.609 0.403 0.571 0.357 CB 1.284 15 residues pruned to eliminate duplicates Z: 21 7.065 1.713 0.408 0.259 0.700 0.350 CB 1.234 21 residues pruned to eliminate duplicates Z: 8 6.415 1.890 0.236 0.470 0.857 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 12 8.176 1.878 0.525 0.328 0.727 0.273 CB 1.429 10 residues pruned to eliminate duplicates Z: 11 5.433 1.446 0.785 0.296 0.800 0.500 N 1.046 Z: 6 5.744 1.683 0.470 0.412 0.800 0.400 CB 1.422 10 residues pruned to eliminate duplicates Z: 6 2.147 1.692 0.215 0.179 0.600 0.600 N 1.146 4 residues pruned to eliminate duplicates Z: 6 5.803 1.958 0.164 0.429 1.000 0.600 O 1.225 2 residues pruned to eliminate duplicates Z: 7 2.280 1.657 -0.208 0.341 0.667 0.500 CB 1.266 18 residues pruned to eliminate duplicates Z: 9 7.641 1.806 0.315 0.763 0.875 0.625 CB 1.029 9 residues pruned to eliminate duplicates Z: 16 4.964 1.769 0.250 0.419 0.733 0.467 CB 0.861 16 residues pruned to eliminate duplicates Z: 19 8.319 1.929 0.204 0.340 0.778 0.389 CB 1.291 19 residues pruned to eliminate duplicates Z: 13 8.870 1.869 0.379 0.466 0.833 0.583 CB 1.234 10 residues pruned to eliminate duplicates Z: 10 10.880 1.550 0.651 0.867 1.000 0.444 CB 1.037 12 residues pruned to eliminate duplicates Z: 11 9.876 1.519 0.757 0.741 0.900 0.500 CB 1.048 11 residues pruned to eliminate duplicates Z: 31 11.245 1.906 0.432 0.278 0.800 0.400 CB 1.209 31 residues pruned to eliminate duplicates Z: 21 11.346 1.892 0.509 0.368 0.800 0.550 CB 1.280 30 residues pruned to eliminate duplicates Z: 11 7.773 1.836 0.565 0.435 0.700 0.400 CB 1.307 11 residues pruned to eliminate duplicates Z: 18 8.978 1.887 0.405 0.373 0.765 0.647 CB 1.230 18 residues pruned to eliminate duplicates Z: 26 12.797 1.860 0.499 0.294 0.880 0.440 CB 1.313 26 residues pruned to eliminate duplicates Z: 41 19.211 1.930 0.476 0.395 0.850 0.525 CB 1.401 41 residues pruned to eliminate duplicates Z: 26 12.246 1.878 0.420 0.357 0.800 0.400 CB 1.339 26 residues pruned to eliminate duplicates Z: 15 6.986 1.930 0.311 0.249 0.786 0.429 CB 1.255 15 residues pruned to eliminate duplicates Z: 17 9.193 1.957 0.413 0.293 0.812 0.500 CB 1.290 17 residues pruned to eliminate duplicates Z: 16 7.271 1.905 0.278 0.213 0.800 0.333 CB 1.351 16 residues pruned to eliminate duplicates Z: 37 15.889 1.874 0.557 0.351 0.778 0.528 CB 1.372 37 residues pruned to eliminate duplicates Z: 40 16.796 1.900 0.490 0.328 0.846 0.513 CB 1.357 40 residues pruned to eliminate duplicates Z: 17 9.948 1.827 0.766 0.262 0.812 0.500 CB 1.245 17 residues pruned to eliminate duplicates Z: 25 11.115 1.799 0.460 0.322 0.750 0.500 CB 1.402 25 residues pruned to eliminate duplicates Z: 39 11.403 1.853 0.435 0.289 0.737 0.421 CB 1.196 39 residues pruned to eliminate duplicates Z: 18 11.687 1.960 0.598 0.274 0.824 0.588 CB 1.420 18 residues pruned to eliminate duplicates Z: 24 8.603 1.833 0.293 0.193 0.826 0.348 CB 1.322 24 residues pruned to eliminate duplicates Z: 44 14.666 1.888 0.400 0.335 0.791 0.442 CB 1.283 44 residues pruned to eliminate duplicates Z: 40 15.814 1.887 0.354 0.369 0.795 0.564 CB 1.434 40 residues pruned to eliminate duplicates Z: 10 6.995 1.733 0.182 0.416 0.889 0.444 O 1.397 10 residues pruned to eliminate duplicates Z: 11 8.630 1.882 0.199 0.472 0.900 0.500 CB 1.383 11 residues pruned to eliminate duplicates Z: 14 14.102 1.731 0.627 0.648 0.923 0.538 CB 1.310 14 residues pruned to eliminate duplicates Z: 24 14.682 1.892 0.510 0.375 0.913 0.478 CB 1.341 24 residues pruned to eliminate duplicates Z: 12 9.691 1.743 0.387 0.887 0.909 0.909 CB 0.959 12 residues pruned to eliminate duplicates Z: 34 16.625 1.833 0.465 0.493 0.848 0.606 CB 1.279 34 residues pruned to eliminate duplicates Z: 9 10.138 1.805 0.717 0.880 1.000 0.875 CB 0.838 9 residues pruned to eliminate duplicates Z: 19 12.416 1.793 0.370 0.669 0.833 0.611 CB 1.223 18 residues pruned to eliminate duplicates Z: 13 14.044 1.771 0.601 0.839 1.000 0.750 CB 1.068 13 residues pruned to eliminate duplicates Z: 7 7.533 1.641 0.744 0.400 1.000 0.500 CB 1.194 7 residues pruned to eliminate duplicates Z: 11 7.471 1.897 0.573 0.249 0.900 0.500 CB 1.175 11 residues pruned to eliminate duplicates Z: 14 14.342 2.068 0.760 0.479 0.923 0.462 CB 1.209 24 residues pruned to eliminate duplicates Z: 13 17.671 1.914 0.828 0.711 0.833 0.667 CB 1.444 7 residues pruned to eliminate duplicates Z: 13 10.639 1.578 0.840 0.571 0.750 0.500 O 1.317 10 residues pruned to eliminate duplicates Z: 10 13.977 1.817 0.777 0.778 0.778 0.778 N 1.452 13 residues pruned to eliminate duplicates Z: 12 10.054 1.715 0.907 0.687 0.727 0.455 CB 1.074 12 residues pruned to eliminate duplicates Z: 18 10.941 1.878 0.748 0.378 0.706 0.294 CB 1.304 18 residues pruned to eliminate duplicates Z: 18 10.536 1.852 0.636 0.325 0.765 0.471 CB 1.336 18 residues pruned to eliminate duplicates Z: 16 18.287 2.008 0.706 0.557 0.933 0.533 CB 1.398 54 residues pruned to eliminate duplicates Z: 11 9.640 1.832 0.695 0.709 0.800 0.700 CB 1.016 Z: 11 12.132 1.788 0.666 0.766 0.900 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 8 5.786 1.529 0.732 0.840 0.714 0.571 CB 0.863 8 residues pruned to eliminate duplicates Z: 10 6.091 1.607 0.298 0.523 1.000 0.667 CB 0.951 8 residues pruned to eliminate duplicates Z: 12 9.611 1.489 0.513 0.891 0.909 0.909 CB 1.017 14 residues pruned to eliminate duplicates Z: 7 7.718 1.626 0.513 0.776 0.833 0.833 CB 1.204 7 residues pruned to eliminate duplicates Z: 8 7.752 1.605 0.240 0.746 1.000 0.714 CB 1.181 8 residues pruned to eliminate duplicates Z: 7 8.980 1.546 0.584 0.840 1.000 0.667 CB 1.117 7 residues pruned to eliminate duplicates Z: 11 6.269 1.484 0.520 0.530 0.800 0.500 CB 1.067 11 residues pruned to eliminate duplicates Z: 7 2.544 1.324 0.279 0.355 0.833 0.333 O 0.861 7 residues pruned to eliminate duplicates Z: 8 2.204 1.394 0.464 0.374 0.429 0.000 O 1.090 8 residues pruned to eliminate duplicates Z: 8 2.498 1.532 0.363 0.386 0.571 0.286 CB 0.893 8 residues pruned to eliminate duplicates Z: 12 11.553 1.494 0.624 0.868 1.000 0.727 CB 1.049 12 residues pruned to eliminate duplicates Z: 11 8.102 1.905 0.246 0.596 0.800 0.700 CB 1.231 11 residues pruned to eliminate duplicates Z: 12 8.723 1.849 0.274 0.593 0.909 0.636 CB 1.124 12 residues pruned to eliminate duplicates Z: 8 9.855 1.944 0.585 0.697 0.857 0.857 CB 1.178 8 residues pruned to eliminate duplicates Z: 9 10.854 1.843 0.264 0.876 0.875 0.875 CB 1.368 9 residues pruned to eliminate duplicates Z: 13 10.118 1.783 0.671 0.631 0.750 0.583 CB 1.155 13 residues pruned to eliminate duplicates Z: 13 10.871 1.865 0.218 0.678 0.917 0.750 CB 1.280 11 residues pruned to eliminate duplicates Z: 12 10.289 1.787 0.406 0.822 0.818 0.818 CB 1.141 12 residues pruned to eliminate duplicates Z: 9 8.516 1.824 0.009 0.755 1.000 0.875 CB 1.304 9 residues pruned to eliminate duplicates Z: 13 8.200 1.715 0.205 0.591 0.833 0.667 CB 1.260 13 residues pruned to eliminate duplicates Z: 11 9.943 1.855 0.358 0.680 0.900 0.800 CB 1.175 11 residues pruned to eliminate duplicates Z: 12 3.963 1.573 0.114 0.318 0.818 0.455 CB 1.018 12 residues pruned to eliminate duplicates Z: 9 2.655 1.598 -0.247 0.332 1.000 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 16 3.447 1.595 -0.137 0.181 0.867 0.200 CB 1.095 16 residues pruned to eliminate duplicates Z: 10 3.957 1.620 -0.101 0.397 1.000 0.444 CB 1.010 10 residues pruned to eliminate duplicates Z: 7 4.538 1.573 0.058 0.614 1.000 0.667 CB 0.999 7 residues pruned to eliminate duplicates Z: 19 6.168 1.686 0.132 0.527 0.889 0.611 CB 0.834 19 residues pruned to eliminate duplicates Z: 13 12.132 1.890 0.427 0.592 0.833 0.667 O 1.426 13 residues pruned to eliminate duplicates Z: 19 8.493 1.676 0.299 0.410 0.833 0.611 CB 1.212 19 residues pruned to eliminate duplicates Z: 10 5.548 1.843 0.028 0.381 0.778 0.444 CB 1.424 10 residues pruned to eliminate duplicates Z: 9 6.259 1.790 0.335 0.449 0.750 0.500 CB 1.301 9 residues pruned to eliminate duplicates Z: 7 7.834 1.986 0.480 0.454 0.667 0.500 O 1.711 7 residues pruned to eliminate duplicates Z: 14 11.335 1.884 0.429 0.539 0.846 0.615 CB 1.329 14 residues pruned to eliminate duplicates Z: 12 13.516 1.935 0.612 0.637 0.818 0.636 CB 1.406 12 residues pruned to eliminate duplicates Z: 13 11.649 1.930 0.535 0.516 0.750 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 10 13.299 2.014 0.814 0.694 0.778 0.667 CB 1.307 10 residues pruned to eliminate duplicates Z: 19 12.385 1.835 0.546 0.429 0.833 0.611 CB 1.328 19 residues pruned to eliminate duplicates Z: 8 4.105 2.007 -0.057 0.180 0.714 0.429 CB 1.689 8 residues pruned to eliminate duplicates Z: 8 6.424 2.051 -0.013 0.237 1.000 0.571 CB 1.627 8 residues pruned to eliminate duplicates Z: 8 6.262 2.040 0.108 0.227 0.857 0.571 CB 1.680 8 residues pruned to eliminate duplicates Z: 26 22.590 1.963 0.776 0.544 0.880 0.560 CB 1.411 23 residues pruned to eliminate duplicates Z: 12 10.602 1.891 0.358 0.642 0.818 0.455 O 1.332 12 residues pruned to eliminate duplicates Z: 10 14.407 1.975 0.845 0.703 0.778 0.444 CB 1.408 10 residues pruned to eliminate duplicates Z: 19 14.368 1.826 0.597 0.654 0.833 0.500 CB 1.208 19 residues pruned to eliminate duplicates Z: 18 10.115 1.797 0.547 0.416 0.765 0.294 CB 1.261 16 residues pruned to eliminate duplicates Z: 15 14.920 1.719 0.671 0.837 0.929 0.714 CB 1.118 14 residues pruned to eliminate duplicates Z: 12 15.290 1.872 0.584 0.845 0.909 0.545 CB 1.271 12 residues pruned to eliminate duplicates Z: 16 11.050 1.838 0.557 0.476 0.867 0.333 CB 1.179 16 residues pruned to eliminate duplicates Z: 19 15.660 1.801 0.593 0.705 0.889 0.500 CB 1.201 19 residues pruned to eliminate duplicates Z: 15 14.954 1.803 0.659 0.891 0.857 0.429 CB 1.120 15 residues pruned to eliminate duplicates Z: 27 15.994 1.900 0.439 0.547 0.846 0.385 CB 1.295 29 residues pruned to eliminate duplicates Z: 14 13.683 1.855 0.680 0.847 0.769 0.462 CB 1.175 14 residues pruned to eliminate duplicates Z: 30 16.732 1.866 0.545 0.564 0.862 0.379 CB 1.175 26 residues pruned to eliminate duplicates Z: 15 15.755 1.800 0.749 0.842 0.929 0.429 CB 1.074 15 residues pruned to eliminate duplicates Z: 26 16.134 1.888 0.660 0.679 0.800 0.520 CB 1.092 26 residues pruned to eliminate duplicates Z: 33 15.459 1.895 0.390 0.513 0.750 0.344 CB 1.366 33 residues pruned to eliminate duplicates Z: 28 24.294 1.930 0.797 0.634 0.926 0.481 CB 1.284 29 residues pruned to eliminate duplicates 6 1.785 1.312 0.219 0.503 0.600 0.200 CB 0.830 ? Z: 13 15.660 1.896 1.001 0.760 0.917 0.833 CB 1.031 13 residues pruned to eliminate duplicates Z: 29 25.898 1.913 0.783 0.638 0.964 0.500 CB 1.308 29 residues pruned to eliminate duplicates Z: 15 12.542 1.941 1.065 0.490 0.714 0.500 CB 1.183 15 residues pruned to eliminate duplicates Z: 12 15.011 1.904 1.097 0.469 0.909 0.545 N 1.286 12 residues pruned to eliminate duplicates Z: 13 19.194 1.888 1.132 0.567 0.917 0.583 CB 1.408 13 residues pruned to eliminate duplicates Z: 18 21.331 1.963 1.095 0.659 0.824 0.588 CB 1.318 18 residues pruned to eliminate duplicates Z: 34 30.647 1.906 0.918 0.686 0.909 0.394 CB 1.353 34 residues pruned to eliminate duplicates Z: 36 26.467 1.873 0.868 0.692 0.886 0.343 CB 1.211 36 residues pruned to eliminate duplicates Z: 20 26.693 1.901 1.074 0.698 0.842 0.579 CB 1.539 20 residues pruned to eliminate duplicates Z: 19 23.917 1.952 0.903 0.723 0.833 0.778 CB 1.489 19 residues pruned to eliminate duplicates Z: 17 27.720 1.990 1.053 0.767 0.875 0.562 N 1.530 17 residues pruned to eliminate duplicates Z: 21 24.061 1.880 1.050 0.625 0.900 0.500 CB 1.379 21 residues pruned to eliminate duplicates Z: 25 25.945 2.013 0.804 0.566 0.917 0.625 CB 1.492 17 residues pruned to eliminate duplicates Z: 16 34.414 2.012 1.163 0.894 0.933 0.667 CB 1.570 24 residues pruned to eliminate duplicates Z: 18 30.660 1.881 1.154 0.920 0.941 0.824 CB 1.374 17 residues pruned to eliminate duplicates Z: 17 36.317 1.958 1.168 0.876 1.000 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 6 2.202 1.513 -0.053 0.458 0.800 0.600 CB 0.897 6 residues pruned to eliminate duplicates Z: 12 10.323 1.715 0.487 0.804 1.000 0.818 CB 0.936 12 residues pruned to eliminate duplicates Z: 13 8.877 1.757 0.623 0.632 0.833 0.250 CB 0.952 13 residues pruned to eliminate duplicates Z: 10 8.161 1.788 0.530 0.771 1.000 0.889 CB 0.783 10 residues pruned to eliminate duplicates Z: 10 10.913 1.717 0.500 0.787 0.889 0.667 CB 1.235 10 residues pruned to eliminate duplicates Z: 12 9.430 1.724 0.503 0.672 0.909 0.545 CB 1.030 12 residues pruned to eliminate duplicates Z: 10 5.707 1.778 0.405 0.500 0.778 0.556 CB 0.979 10 residues pruned to eliminate duplicates Z: 11 12.877 1.824 0.394 0.773 1.000 0.500 CB 1.257 11 residues pruned to eliminate duplicates Z: 13 14.575 1.865 0.583 0.530 1.000 0.500 CB 1.384 13 residues pruned to eliminate duplicates Z: 13 10.194 1.781 0.500 0.586 0.917 0.333 CB 1.107 13 residues pruned to eliminate duplicates Z: 19 10.025 1.784 0.657 0.451 0.833 0.611 CB 1.009 19 residues pruned to eliminate duplicates Z: 30 15.657 1.814 0.577 0.483 0.862 0.448 CB 1.200 47 residues pruned to eliminate duplicates Z: 6 3.796 1.554 0.568 0.348 0.800 0.400 CA 1.026 6 residues pruned to eliminate duplicates Z: 15 10.248 1.839 0.549 0.517 0.857 0.643 CB 1.104 15 residues pruned to eliminate duplicates Z: 16 9.920 1.810 0.389 0.534 0.800 0.667 CB 1.232 16 residues pruned to eliminate duplicates Z: 17 13.823 1.811 0.801 0.553 1.000 0.625 CB 1.006 17 residues pruned to eliminate duplicates Z: 30 20.413 1.878 0.588 0.646 0.897 0.586 CB 1.237 45 residues pruned to eliminate duplicates Z: 20 20.193 1.886 0.464 0.852 0.895 0.895 CB 1.387 20 residues pruned to eliminate duplicates Z: 36 28.187 1.894 0.567 0.764 0.971 0.800 CB 1.308 36 residues pruned to eliminate duplicates Z: 23 25.358 1.928 0.518 0.797 0.955 0.864 CB 1.491 23 residues pruned to eliminate duplicates Z: 12 19.008 2.052 0.376 0.875 0.909 0.818 CB 1.623 12 residues pruned to eliminate duplicates Z: 18 16.160 1.783 0.568 0.646 0.882 0.765 N 1.386 18 residues pruned to eliminate duplicates Z: 17 22.500 1.953 0.593 0.744 0.938 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 29 23.299 1.887 0.594 0.718 0.929 0.821 CB 1.294 29 residues pruned to eliminate duplicates Z: 36 20.577 1.834 0.487 0.662 0.914 0.629 CB 1.200 36 residues pruned to eliminate duplicates Z: 21 20.064 1.886 0.529 0.655 0.900 0.650 CB 1.498 21 residues pruned to eliminate duplicates Z: 36 23.160 1.875 0.553 0.676 0.914 0.714 CB 1.250 36 residues pruned to eliminate duplicates Z: 14 21.211 2.035 0.653 0.786 1.000 0.692 CB 1.360 14 residues pruned to eliminate duplicates Z: 32 28.727 1.853 0.674 0.757 0.968 0.742 CB 1.367 32 residues pruned to eliminate duplicates Z: 37 25.307 1.884 0.713 0.709 0.917 0.694 CB 1.179 37 residues pruned to eliminate duplicates Z: 48 24.891 1.849 0.535 0.662 0.915 0.638 CB 1.204 37 residues pruned to eliminate duplicates Z: 21 31.539 1.925 0.898 0.903 0.950 0.800 CB 1.448 21 residues pruned to eliminate duplicates Z: 21 27.903 1.923 0.809 0.872 0.950 0.500 CB 1.377 21 residues pruned to eliminate duplicates Z: 16 18.277 1.968 0.853 0.676 0.733 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 21 24.010 2.011 0.720 0.800 0.800 0.700 CB 1.492 21 residues pruned to eliminate duplicates Z: 25 22.548 1.929 0.720 0.601 0.833 0.542 CB 1.513 25 residues pruned to eliminate duplicates Z: 50 26.719 1.848 0.574 0.647 0.898 0.592 CB 1.274 50 residues pruned to eliminate duplicates Z: 54 26.132 1.854 0.509 0.612 0.943 0.623 CB 1.223 49 residues pruned to eliminate duplicates Z: 7 3.105 1.382 0.028 0.527 0.833 0.833 N 1.042 7 residues pruned to eliminate duplicates Z: 12 7.632 1.730 0.256 0.495 0.818 0.545 N 1.300 17 residues pruned to eliminate duplicates Z: 14 13.704 1.704 0.777 0.834 0.923 0.692 CB 1.020 Z: 12 14.797 1.828 0.567 0.875 0.909 0.909 CB 1.246 14 residues pruned to eliminate duplicates Z: 11 13.321 1.843 0.455 0.891 1.000 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 11 11.223 1.855 0.623 0.860 0.900 0.800 CB 0.963 11 residues pruned to eliminate duplicates Z: 11 13.542 1.909 0.589 0.778 1.000 0.900 CB 1.105 11 residues pruned to eliminate duplicates Z: 21 12.921 1.750 0.653 0.550 0.800 0.600 CB 1.190 18 residues pruned to eliminate duplicates Z: 13 19.684 1.776 0.794 0.887 1.000 0.833 CB 1.287 12 residues pruned to eliminate duplicates Z: 13 17.809 1.785 0.833 0.846 0.917 0.833 CB 1.274 13 residues pruned to eliminate duplicates Z: 12 5.019 1.716 0.598 0.533 0.455 0.091 CB 1.176 12 residues pruned to eliminate duplicates Z: 10 10.967 1.817 0.982 0.864 0.778 0.444 CB 0.957 10 residues pruned to eliminate duplicates Z: 12 9.450 1.795 0.655 0.657 0.727 0.273 CB 1.140 12 residues pruned to eliminate duplicates Z: 9 4.872 1.765 0.370 0.360 0.625 0.375 O 1.324 Z: 6 4.650 1.523 0.149 0.383 1.000 0.600 N 1.344 14 residues pruned to eliminate duplicates Z: 10 10.865 1.581 0.512 0.884 1.000 0.889 CB 1.095 10 residues pruned to eliminate duplicates Z: 12 15.386 1.691 0.598 0.873 1.000 0.818 O 1.250 13 residues pruned to eliminate duplicates Z: 10 9.168 1.612 1.139 0.624 0.778 0.556 CB 1.013 10 residues pruned to eliminate duplicates Z: 17 11.281 1.651 0.834 0.495 0.812 0.312 CB 1.152 10 residues pruned to eliminate duplicates Z: 14 10.569 1.645 0.629 0.781 0.846 0.538 CB 1.010 14 residues pruned to eliminate duplicates Z: 14 8.277 1.642 0.566 0.540 0.923 0.385 CB 0.930 14 residues pruned to eliminate duplicates Z: 11 9.406 1.660 0.559 0.557 0.800 0.100 CB 1.359 11 residues pruned to eliminate duplicates Z: 8 2.043 1.680 0.376 0.564 0.286 0.143 N 1.098 8 residues pruned to eliminate duplicates Z: 13 5.744 1.669 0.299 0.543 0.667 0.250 CB 1.100 13 residues pruned to eliminate duplicates Z: 15 7.359 1.586 0.408 0.645 0.714 0.357 CB 1.076 12 residues pruned to eliminate duplicates Z: 12 9.422 1.682 0.522 0.775 0.909 0.727 CB 0.957 12 residues pruned to eliminate duplicates Z: 8 2.953 1.523 0.205 0.601 0.571 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 9 3.005 1.366 0.116 0.204 0.875 0.375 N 1.132 9 residues pruned to eliminate duplicates Z: 11 6.977 1.515 0.393 0.688 0.800 0.600 CB 1.100 6 residues pruned to eliminate duplicates Z: 13 10.730 1.556 0.457 0.809 0.917 0.833 CB 1.139 14 residues pruned to eliminate duplicates Z: 10 10.245 1.636 0.394 0.922 1.000 1.000 CB 1.053 10 residues pruned to eliminate duplicates Z: 12 13.804 1.589 0.661 0.849 1.000 0.727 CB 1.169 12 residues pruned to eliminate duplicates Z: 11 9.528 1.544 0.698 0.834 0.900 0.700 CB 0.957 11 residues pruned to eliminate duplicates Z: 12 8.705 1.568 0.418 0.609 0.909 0.727 CB 1.171 12 residues pruned to eliminate duplicates Z: 9 8.598 1.626 0.427 0.733 1.000 0.625 CB 1.062 9 residues pruned to eliminate duplicates Z: 6 3.705 1.530 0.443 0.743 0.800 0.400 CB 0.755 6 residues pruned to eliminate duplicates Z: 12 6.833 1.603 0.529 0.333 0.818 0.182 CB 1.232 Z: 8 7.963 1.641 0.566 0.814 0.714 0.286 CB 1.248 8 residues pruned to eliminate duplicates Z: 7 8.397 1.736 0.823 0.705 0.667 0.500 CB 1.348 25 residues pruned to eliminate duplicates Z: 8 11.816 1.620 0.710 0.855 1.000 0.571 CB 1.190 9 residues pruned to eliminate duplicates Z: 15 17.364 1.764 0.698 0.882 1.000 0.643 CB 1.121 15 residues pruned to eliminate duplicates Z: 43 13.252 1.790 0.693 0.332 0.643 0.452 CB 1.261 43 residues pruned to eliminate duplicates Z: 14 13.795 1.920 0.462 0.673 1.000 0.769 CB 1.162 14 residues pruned to eliminate duplicates Z: 12 8.606 1.808 0.555 0.679 0.727 0.455 CB 1.077 12 residues pruned to eliminate duplicates Z: 17 10.852 1.823 0.564 0.584 0.875 0.500 CB 1.003 17 residues pruned to eliminate duplicates Z: 21 12.514 1.759 0.573 0.474 0.850 0.550 CB 1.222 21 residues pruned to eliminate duplicates Z: 33 20.784 1.810 0.771 0.520 0.875 0.594 CB 1.284 33 residues pruned to eliminate duplicates Z: 22 15.366 1.766 0.657 0.686 0.857 0.667 CB 1.127 22 residues pruned to eliminate duplicates Z: 20 18.150 1.859 0.602 0.770 0.842 0.632 CB 1.308 20 residues pruned to eliminate duplicates Z: 27 18.253 1.848 0.438 0.696 0.923 0.654 CB 1.221 27 residues pruned to eliminate duplicates Z: 20 20.661 1.869 0.521 0.890 0.947 0.789 CB 1.266 20 residues pruned to eliminate duplicates Z: 20 16.251 1.879 0.651 0.724 0.895 0.684 CB 1.098 20 residues pruned to eliminate duplicates Z: 23 16.639 1.835 0.612 0.724 0.864 0.682 CB 1.134 23 residues pruned to eliminate duplicates Z: 41 18.444 1.827 0.633 0.575 0.775 0.500 CB 1.174 43 residues pruned to eliminate duplicates Z: 17 18.577 1.887 0.569 0.890 1.000 0.812 CB 1.129 17 residues pruned to eliminate duplicates Z: 20 10.044 1.768 0.643 0.276 0.842 0.474 CB 1.214 20 residues pruned to eliminate duplicates Z: 44 21.344 1.853 0.597 0.508 0.860 0.605 CB 1.268 57 residues pruned to eliminate duplicates Z: 25 15.800 1.788 0.853 0.500 0.792 0.458 CB 1.229 25 residues pruned to eliminate duplicates Z: 34 20.922 1.850 0.774 0.567 0.818 0.606 CB 1.271 34 residues pruned to eliminate duplicates Z: 34 20.549 1.806 0.703 0.540 0.939 0.606 CB 1.191 34 residues pruned to eliminate duplicates Z: 21 10.959 1.780 0.579 0.276 0.950 0.450 CB 1.182 21 residues pruned to eliminate duplicates Z: 28 14.462 1.860 0.505 0.454 0.889 0.593 CB 1.172 28 residues pruned to eliminate duplicates Z: 14 8.080 1.801 0.524 0.314 0.769 0.231 CB 1.304 14 residues pruned to eliminate duplicates Z: 34 17.877 1.829 0.722 0.437 0.879 0.515 CB 1.200 34 residues pruned to eliminate duplicates Z: 25 9.850 1.758 0.574 0.268 0.875 0.500 CB 1.081 25 residues pruned to eliminate duplicates Z: 17 10.039 1.851 0.660 0.310 0.875 0.438 CB 1.152 17 residues pruned to eliminate duplicates Z: 44 26.465 1.897 0.592 0.624 0.907 0.698 CB 1.311 44 residues pruned to eliminate duplicates Z: 17 16.030 1.889 0.258 0.722 0.938 0.688 O 1.471 17 residues pruned to eliminate duplicates Z: 38 20.478 1.816 0.738 0.460 0.919 0.514 CB 1.210 38 residues pruned to eliminate duplicates Z: 40 24.221 1.901 0.650 0.534 0.897 0.513 CB 1.332 51 residues pruned to eliminate duplicates Z: 17 21.219 1.887 0.732 0.831 0.875 0.438 CB 1.394 17 residues pruned to eliminate duplicates Z: 18 23.639 1.857 0.698 0.810 0.941 0.529 CB 1.475 18 residues pruned to eliminate duplicates Z: 17 20.685 1.840 0.578 0.847 1.000 0.562 CB 1.323 17 residues pruned to eliminate duplicates Z: 29 21.260 1.918 0.558 0.501 0.964 0.571 CB 1.393 29 residues pruned to eliminate duplicates Z: 45 21.558 1.848 0.687 0.527 0.841 0.386 CB 1.207 45 residues pruned to eliminate duplicates Z: 31 17.462 1.800 0.677 0.409 0.833 0.533 CB 1.395 31 residues pruned to eliminate duplicates Z: 27 22.744 1.881 0.703 0.556 0.923 0.692 CB 1.428 27 residues pruned to eliminate duplicates Z: 38 27.050 1.882 0.746 0.614 0.919 0.568 CB 1.321 38 residues pruned to eliminate duplicates Z: 31 21.124 1.951 0.521 0.507 0.967 0.667 CB 1.336 31 residues pruned to eliminate duplicates Z: 30 21.775 1.909 0.622 0.564 0.966 0.655 CB 1.271 30 residues pruned to eliminate duplicates Z: 37 22.114 1.865 0.706 0.449 0.972 0.528 CB 1.256 37 residues pruned to eliminate duplicates Z: 37 18.109 1.876 0.580 0.463 0.889 0.667 CB 1.189 37 residues pruned to eliminate duplicates Z: 40 20.978 1.858 0.716 0.519 0.923 0.667 CB 1.121 40 residues pruned to eliminate duplicates Z: 38 17.419 1.877 0.656 0.375 0.865 0.405 CB 1.217 38 residues pruned to eliminate duplicates Z: 43 28.385 1.927 0.801 0.545 0.952 0.690 CB 1.268 43 residues pruned to eliminate duplicates Z: 36 19.906 1.893 0.587 0.520 0.943 0.629 CB 1.165 36 residues pruned to eliminate duplicates Z: 36 23.908 1.919 0.740 0.549 0.943 0.771 CB 1.223 36 residues pruned to eliminate duplicates Z: 35 22.125 1.926 0.713 0.519 0.912 0.676 CB 1.238 35 residues pruned to eliminate duplicates 7 1.072 1.709 0.389 0.247 0.667 0.333 CB 0.370 ? Z: 7 3.477 1.775 0.440 0.373 0.833 0.167 CB 0.763 Z: 12 9.747 1.535 0.656 0.732 0.818 0.636 CB 1.147 10 residues pruned to eliminate duplicates Z: 8 9.402 1.624 0.521 0.826 1.000 0.714 CB 1.085 8 residues pruned to eliminate duplicates Z: 9 7.328 1.684 0.435 0.623 0.750 0.375 CB 1.272 9 residues pruned to eliminate duplicates Z: 8 9.538 1.707 0.688 0.699 0.857 0.571 CB 1.217 8 residues pruned to eliminate duplicates Z: 7 8.881 1.500 0.833 0.710 0.833 0.667 CB 1.308 7 residues pruned to eliminate duplicates Z: 8 8.315 1.590 0.797 0.801 0.857 0.714 CB 0.987 8 residues pruned to eliminate duplicates Z: 9 10.463 1.546 0.776 0.842 1.000 0.750 CB 1.004 9 residues pruned to eliminate duplicates Z: 10 10.502 1.496 0.734 0.801 1.000 0.778 CB 1.038 10 residues pruned to eliminate duplicates Z: 10 9.922 1.514 0.761 0.823 0.889 0.778 CB 1.055 10 residues pruned to eliminate duplicates Z: 11 7.353 1.430 0.801 0.521 0.800 0.500 CB 1.105 8 residues pruned to eliminate duplicates Z: 8 5.506 1.416 0.483 0.472 1.000 0.143 N 1.019 8 residues pruned to eliminate duplicates Z: 9 6.261 1.482 0.784 0.639 0.750 0.375 CB 0.981 9 residues pruned to eliminate duplicates Z: 12 5.908 1.572 0.354 0.432 0.727 0.182 CB 1.235 7 residues pruned to eliminate duplicates Z: 8 6.417 1.421 0.430 0.541 1.000 0.714 CB 1.147 5 residues pruned to eliminate duplicates Z: 10 15.554 1.739 0.726 0.908 1.000 1.000 CB 1.227 10 residues pruned to eliminate duplicates Z: 9 7.342 1.619 0.664 0.499 0.750 0.500 CB 1.285 9 residues pruned to eliminate duplicates Z: 10 15.166 1.734 0.752 0.703 1.000 0.444 N 1.383 10 residues pruned to eliminate duplicates Z: 8 12.929 1.801 0.862 0.704 0.857 0.714 CB 1.413 8 residues pruned to eliminate duplicates Z: 11 9.422 1.626 0.766 0.485 0.800 0.600 CB 1.316 11 residues pruned to eliminate duplicates Z: 12 13.617 1.697 0.910 0.883 0.909 0.636 CB 1.007 12 residues pruned to eliminate duplicates Z: 13 13.698 1.660 0.891 0.803 1.000 0.750 CB 0.967 13 residues pruned to eliminate duplicates Z: 8 5.793 1.625 0.460 0.703 1.000 0.714 CB 0.767 8 residues pruned to eliminate duplicates Z: 12 6.552 1.455 0.708 0.697 0.909 0.636 CB 0.731 10 residues pruned to eliminate duplicates Z: 12 14.362 1.743 0.773 0.862 0.909 0.909 CB 1.132 12 residues pruned to eliminate duplicates Z: 11 10.999 1.672 0.681 0.869 0.800 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 7 6.340 1.494 0.201 0.704 1.000 0.500 N 1.198 8 residues pruned to eliminate duplicates Z: 7 9.173 1.526 0.449 0.833 1.000 0.833 CB 1.271 7 residues pruned to eliminate duplicates Z: 7 6.522 1.536 0.497 0.762 0.833 0.500 CB 1.102 7 residues pruned to eliminate duplicates Z: 8 5.019 1.447 0.529 0.610 0.857 0.571 CB 0.902 8 residues pruned to eliminate duplicates Z: 10 8.498 1.639 0.570 0.506 0.889 0.444 CB 1.230 10 residues pruned to eliminate duplicates Z: 18 6.793 1.520 0.507 0.520 0.824 0.412 CB 0.856 18 residues pruned to eliminate duplicates Z: 13 9.226 1.588 0.696 0.792 0.833 0.333 CB 0.919 13 residues pruned to eliminate duplicates Z: 23 12.309 1.731 0.334 0.527 0.909 0.591 CB 1.217 28 residues pruned to eliminate duplicates Z: 8 8.906 1.685 0.574 0.828 0.857 0.857 CB 1.115 8 residues pruned to eliminate duplicates Z: 12 9.283 1.581 0.612 0.679 0.818 0.455 O 1.140 12 residues pruned to eliminate duplicates Z: 11 8.145 1.628 0.713 0.782 0.800 0.600 CB 0.900 11 residues pruned to eliminate duplicates Z: 7 6.068 1.670 0.593 0.625 0.833 0.500 CB 0.994 7 residues pruned to eliminate duplicates Z: 26 7.799 1.609 0.257 0.377 0.760 0.280 CB 1.157 15 residues pruned to eliminate duplicates Z: 20 10.084 1.612 0.402 0.716 0.842 0.632 CB 1.000 20 residues pruned to eliminate duplicates Z: 21 10.114 1.653 0.520 0.453 0.850 0.500 CB 1.111 21 residues pruned to eliminate duplicates Z: 15 5.709 1.569 0.402 0.385 0.714 0.500 CB 1.097 11 residues pruned to eliminate duplicates Z: 11 7.231 1.674 0.325 0.835 1.000 0.900 CB 0.773 11 residues pruned to eliminate duplicates Z: 9 5.553 1.711 0.791 0.502 0.625 0.500 CB 1.023 9 residues pruned to eliminate duplicates Z: 11 7.979 1.750 0.473 0.758 0.900 0.800 CB 0.864 11 residues pruned to eliminate duplicates Z: 11 7.353 1.742 0.871 0.580 0.800 0.600 CB 0.825 11 residues pruned to eliminate duplicates Z: 7 6.773 1.736 0.997 0.714 0.833 0.833 CB 0.789 7 residues pruned to eliminate duplicates Z: 14 8.349 1.674 0.779 0.611 0.692 0.538 CB 1.011 14 residues pruned to eliminate duplicates Z: 9 7.684 1.612 0.349 0.741 0.875 0.500 CB 1.151 9 residues pruned to eliminate duplicates Z: 10 10.368 1.582 0.627 0.831 0.889 0.667 CB 1.135 10 residues pruned to eliminate duplicates Z: 8 15.620 1.716 0.767 0.849 1.000 0.714 O 1.443 9 residues pruned to eliminate duplicates Z: 9 10.091 1.662 0.497 0.811 0.875 0.750 CB 1.250 9 residues pruned to eliminate duplicates Z: 8 12.532 1.743 0.632 0.865 1.000 0.857 CB 1.220 7 residues pruned to eliminate duplicates Z: 11 13.923 1.599 0.766 0.885 1.000 0.900 CB 1.125 11 residues pruned to eliminate duplicates Z: 11 10.390 1.588 0.633 0.848 0.900 0.900 CB 1.045 11 residues pruned to eliminate duplicates Z: 13 7.686 1.498 0.615 0.724 0.833 0.500 CB 0.899 13 residues pruned to eliminate duplicates Z: 9 11.011 1.680 0.735 0.784 1.000 0.500 CB 1.040 9 residues pruned to eliminate duplicates Z: 11 9.611 1.585 0.591 0.806 0.900 0.500 CB 1.026 11 residues pruned to eliminate duplicates Z: 7 5.500 1.414 0.533 0.537 1.000 0.833 O 0.999 6 residues pruned to eliminate duplicates Z: 6 6.894 1.594 0.544 0.791 0.800 0.600 CB 1.213 7 residues pruned to eliminate duplicates Z: 7 4.429 1.430 0.646 0.702 0.667 0.500 N 0.958 Z: 7 6.193 1.414 0.425 0.737 0.833 0.667 O 1.217 12 residues pruned to eliminate duplicates Z: 9 6.048 1.511 0.419 0.734 0.750 0.750 CB 1.077 7 residues pruned to eliminate duplicates Z: 13 3.877 1.405 0.348 0.256 0.833 0.167 CB 0.938 12 residues pruned to eliminate duplicates Z: 7 8.883 1.633 0.504 0.691 1.000 0.000 CB 1.240 7 residues pruned to eliminate duplicates Z: 6 6.616 1.605 0.339 0.769 0.800 0.800 CB 1.356 6 residues pruned to eliminate duplicates Z: 9 4.816 1.414 0.451 0.557 0.875 0.875 CB 0.897 9 residues pruned to eliminate duplicates Z: 8 3.674 1.404 0.512 0.457 0.857 0.429 CB 0.797 8 residues pruned to eliminate duplicates Z: 7 4.273 1.561 0.441 0.730 0.667 0.333 CB 0.945 7 residues pruned to eliminate duplicates Z: 9 7.544 1.405 0.739 0.720 0.875 0.750 CB 1.023 8 residues pruned to eliminate duplicates Z: 7 7.190 1.706 0.444 0.691 0.833 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 7 7.531 1.702 0.321 0.698 0.833 0.333 CB 1.370 7 residues pruned to eliminate duplicates Z: 7 6.581 1.658 0.199 0.722 0.833 0.333 CB 1.327 7 residues pruned to eliminate duplicates Z: 7 4.338 1.637 0.170 0.539 0.667 0.667 CB 1.334 7 residues pruned to eliminate duplicates Z: 8 3.844 1.614 0.463 0.525 0.571 0.143 CB 1.050 8 residues pruned to eliminate duplicates Z: 11 9.951 1.581 0.401 0.640 1.000 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 8 8.611 1.610 0.345 0.651 1.000 0.857 CB 1.306 8 residues pruned to eliminate duplicates Z: 8 9.195 1.659 0.639 0.733 0.857 0.857 CB 1.210 8 residues pruned to eliminate duplicates Z: 19 10.342 1.451 0.508 0.612 0.889 0.444 CB 1.128 20 residues pruned to eliminate duplicates Z: 14 11.481 1.576 0.434 0.837 0.923 0.846 O 1.141 14 residues pruned to eliminate duplicates Z: 9 8.033 1.704 0.224 0.759 0.875 0.625 CB 1.236 9 residues pruned to eliminate duplicates Z: 8 6.817 1.645 0.405 0.648 0.857 0.857 CB 1.133 8 residues pruned to eliminate duplicates Z: 6 3.786 1.570 0.738 0.336 0.600 0.400 CB 1.237 6 residues pruned to eliminate duplicates Z: 14 11.194 1.576 0.460 0.714 1.000 0.615 CB 1.112 14 residues pruned to eliminate duplicates Z: 10 3.415 1.397 0.475 0.254 0.778 0.444 CB 0.943 10 residues pruned to eliminate duplicates Z: 6 4.542 1.480 0.489 0.812 0.800 0.800 O 0.879 6 residues pruned to eliminate duplicates Z: 14 5.864 1.522 0.418 0.663 0.692 0.462 CB 0.936 14 residues pruned to eliminate duplicates Z: 18 6.168 1.469 0.507 0.372 0.706 0.353 CB 1.098 13 residues pruned to eliminate duplicates Z: 10 6.495 1.320 0.593 0.731 0.889 0.333 CB 0.941 4 residues pruned to eliminate duplicates Z: 7 2.756 1.296 0.433 0.329 0.833 0.500 CB 0.877 6 1.939 0.995 0.458 0.630 1.000 0.800 CB 0.529 ? Z: 9 7.756 1.494 0.539 0.630 0.875 0.625 O 1.206 17 residues pruned to eliminate duplicates Z: 13 9.195 1.498 0.633 0.838 0.750 0.583 CB 1.081 9 residues pruned to eliminate duplicates Z: 12 8.410 1.511 0.467 0.636 0.909 0.545 O 1.107 20 residues pruned to eliminate duplicates Z: 9 9.461 1.392 0.572 0.838 1.000 0.625 CB 1.143 13 residues pruned to eliminate duplicates Z: 11 9.200 1.775 0.264 0.730 0.900 0.800 O 1.171 11 residues pruned to eliminate duplicates Z: 10 13.614 1.754 0.519 0.700 1.000 0.667 CB 1.419 10 residues pruned to eliminate duplicates Z: 17 7.451 1.687 0.357 0.433 0.688 0.375 O 1.268 17 residues pruned to eliminate duplicates Z: 12 16.872 1.858 0.397 0.896 1.000 0.909 O 1.403 22 residues pruned to eliminate duplicates Z: 13 13.558 1.783 0.474 0.924 1.000 1.000 CB 1.045 13 residues pruned to eliminate duplicates Z: 16 11.644 1.836 0.361 0.762 0.867 0.733 CB 1.100 16 residues pruned to eliminate duplicates Z: 14 11.905 1.886 0.134 0.735 0.923 0.692 CB 1.354 14 residues pruned to eliminate duplicates Z: 15 13.740 1.836 0.342 0.815 0.929 0.714 CB 1.220 15 residues pruned to eliminate duplicates Z: 12 15.495 1.881 0.379 0.850 0.909 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 17 11.869 1.764 0.425 0.704 0.812 0.562 CB 1.206 17 residues pruned to eliminate duplicates Z: 14 13.257 1.850 0.365 0.821 0.923 0.538 CB 1.194 14 residues pruned to eliminate duplicates Z: 11 4.275 1.801 0.569 0.284 0.600 0.300 CB 1.017 14 residues pruned to eliminate duplicates Z: 15 13.927 1.762 0.664 0.770 0.857 0.643 CB 1.166 15 residues pruned to eliminate duplicates Z: 24 18.853 1.844 0.631 0.660 0.826 0.609 CB 1.364 24 residues pruned to eliminate duplicates Z: 10 15.445 1.883 0.934 0.597 0.889 0.778 N 1.450 10 residues pruned to eliminate duplicates Z: 12 10.550 1.813 1.065 0.409 0.727 0.545 N 1.285 12 residues pruned to eliminate duplicates Z: 9 15.927 1.952 1.245 0.587 1.000 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 12 18.148 1.889 0.891 0.722 1.000 0.636 CB 1.254 12 residues pruned to eliminate duplicates Z: 16 16.422 1.846 0.800 0.594 0.867 0.467 CB 1.347 16 residues pruned to eliminate duplicates Z: 20 25.126 1.941 0.819 0.732 0.947 0.684 CB 1.398 39 residues pruned to eliminate duplicates Z: 16 29.324 1.904 1.121 0.896 0.933 0.733 CB 1.439 16 residues pruned to eliminate duplicates Z: 13 16.931 1.816 0.849 0.712 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 33 19.906 1.824 0.605 0.631 0.812 0.562 CB 1.308 21 residues pruned to eliminate duplicates Z: 15 21.805 1.874 0.864 0.907 1.000 0.786 CB 1.186 15 residues pruned to eliminate duplicates Z: 7 4.775 1.757 0.639 0.452 0.667 0.500 N 1.066 7 residues pruned to eliminate duplicates Z: 15 11.187 1.871 0.672 0.441 0.714 0.500 CB 1.422 15 residues pruned to eliminate duplicates Z: 15 7.721 1.817 0.555 0.509 0.643 0.286 CB 1.127 15 residues pruned to eliminate duplicates Z: 17 16.277 1.872 0.950 0.574 0.875 0.375 CB 1.186 17 residues pruned to eliminate duplicates Z: 9 2.175 1.878 0.117 0.143 0.625 0.125 CB 0.911 Z: 7 3.217 1.404 0.193 0.541 1.000 0.667 CB 0.753 5 residues pruned to eliminate duplicates Z: 10 8.446 1.652 0.663 0.896 0.889 0.889 CB 0.826 10 residues pruned to eliminate duplicates Z: 7 9.854 1.711 0.702 0.585 1.000 0.333 N 1.273 7 residues pruned to eliminate duplicates Z: 11 6.950 1.580 0.582 0.802 0.900 0.700 CB 0.751 10 residues pruned to eliminate duplicates Z: 11 7.885 1.600 0.570 0.765 0.900 0.700 CB 0.871 11 residues pruned to eliminate duplicates Z: 14 8.009 1.626 0.365 0.843 0.923 0.692 CB 0.807 14 residues pruned to eliminate duplicates Z: 16 8.699 1.610 0.441 0.555 0.867 0.667 CB 1.058 18 residues pruned to eliminate duplicates Z: 14 6.888 1.600 0.298 0.854 0.923 0.769 CB 0.736 14 residues pruned to eliminate duplicates Z: 12 6.500 1.558 0.461 0.776 0.909 0.727 CB 0.742 12 residues pruned to eliminate duplicates Z: 9 8.096 1.674 0.404 0.690 0.750 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 9 14.429 1.644 0.751 0.803 1.000 1.000 CB 1.360 9 residues pruned to eliminate duplicates Z: 8 5.908 1.616 0.390 0.539 0.714 0.571 O 1.341 8 residues pruned to eliminate duplicates Z: 6 9.807 1.799 0.873 0.677 0.800 0.800 CB 1.383 6 residues pruned to eliminate duplicates Z: 8 5.857 1.681 0.553 0.492 0.714 0.571 O 1.195 8 residues pruned to eliminate duplicates Z: 11 10.673 1.674 1.009 0.564 0.900 0.400 CB 1.048 11 residues pruned to eliminate duplicates Z: 17 11.031 1.698 0.573 0.547 0.875 0.625 CB 1.126 17 residues pruned to eliminate duplicates Z: 14 10.269 1.707 0.630 0.534 0.923 0.615 CB 1.073 14 residues pruned to eliminate duplicates Z: 10 8.454 1.797 0.438 0.462 0.889 0.444 O 1.276 10 residues pruned to eliminate duplicates Z: 25 7.347 1.571 0.343 0.273 0.833 0.292 CB 1.104 25 residues pruned to eliminate duplicates Z: 6 3.448 1.838 -0.069 0.415 1.000 0.600 CB 0.985 Z: 6 4.207 1.817 -0.308 0.598 1.000 0.600 CB 1.362 12 residues pruned to eliminate duplicates Z: 15 5.177 1.651 -0.100 0.425 0.857 0.357 CB 1.174 15 residues pruned to eliminate duplicates Z: 6 4.594 1.658 0.070 0.395 1.000 0.400 N 1.294 Z: 8 3.304 1.503 0.210 0.480 0.571 0.571 N 1.225 7 residues pruned to eliminate duplicates Z: 6 2.943 1.351 0.754 0.346 0.600 0.200 O 1.095 Z: 10 10.350 1.497 0.835 0.814 0.778 0.333 CB 1.228 8 residues pruned to eliminate duplicates Z: 8 8.804 1.616 0.581 0.802 0.857 0.714 N 1.167 8 residues pruned to eliminate duplicates Z: 8 2.583 1.606 0.395 0.186 0.714 0.429 N 0.890 8 residues pruned to eliminate duplicates Z: 10 7.862 1.749 0.708 0.506 0.667 0.333 CB 1.309 11 residues pruned to eliminate duplicates Z: 8 11.351 1.603 1.119 0.798 0.857 0.429 CB 1.135 8 residues pruned to eliminate duplicates Z: 7 11.049 1.587 0.910 0.761 1.000 0.667 O 1.180 8 residues pruned to eliminate duplicates Z: 8 10.098 1.640 1.298 0.737 0.714 0.571 CB 1.146 8 residues pruned to eliminate duplicates Z: 12 3.434 1.687 0.199 0.201 0.636 0.182 CB 1.148 12 residues pruned to eliminate duplicates Z: 11 4.774 1.717 0.396 0.145 0.800 0.400 CB 1.221 Z: 7 7.246 1.896 0.170 0.725 0.833 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 12 8.804 1.773 0.249 0.657 0.909 0.636 CB 1.139 11 residues pruned to eliminate duplicates Z: 12 9.567 1.833 0.279 0.727 0.909 0.636 CB 1.102 11 residues pruned to eliminate duplicates Z: 8 9.795 1.816 0.437 0.837 1.000 0.714 CB 1.061 8 residues pruned to eliminate duplicates Z: 16 5.050 1.707 0.498 0.431 0.600 0.267 CB 0.913 16 residues pruned to eliminate duplicates Z: 9 6.041 1.834 0.412 0.790 0.750 0.375 CB 0.852 9 residues pruned to eliminate duplicates Z: 11 7.432 1.814 0.504 0.539 0.800 0.400 CB 1.037 11 residues pruned to eliminate duplicates Z: 34 14.990 1.724 0.549 0.495 0.879 0.424 CB 1.117 51 residues pruned to eliminate duplicates Z: 27 15.202 1.851 0.828 0.458 0.692 0.308 CB 1.328 12 residues pruned to eliminate duplicates Z: 14 8.952 1.626 0.539 0.730 0.769 0.385 CB 1.048 14 residues pruned to eliminate duplicates Z: 21 13.571 1.810 0.432 0.565 0.900 0.400 CB 1.222 22 residues pruned to eliminate duplicates Z: 23 13.489 1.651 0.718 0.704 0.818 0.455 CB 1.029 21 residues pruned to eliminate duplicates Z: 18 20.403 1.747 0.790 0.767 1.000 0.353 CB 1.248 18 residues pruned to eliminate duplicates Z: 24 19.789 1.779 0.711 0.559 0.913 0.391 CB 1.403 24 residues pruned to eliminate duplicates Z: 21 14.823 1.754 0.668 0.704 0.750 0.500 CB 1.255 23 residues pruned to eliminate duplicates Z: 9 8.351 1.517 0.424 0.802 0.875 0.750 N 1.199 9 residues pruned to eliminate duplicates Z: 29 14.746 1.775 0.541 0.510 0.750 0.393 CB 1.344 29 residues pruned to eliminate duplicates Z: 20 16.995 1.876 0.709 0.547 0.842 0.263 CB 1.378 20 residues pruned to eliminate duplicates Z: 30 19.999 1.866 0.718 0.566 0.793 0.414 CB 1.370 30 residues pruned to eliminate duplicates Z: 27 13.203 1.749 0.641 0.382 0.769 0.346 CB 1.329 27 residues pruned to eliminate duplicates Z: 17 10.381 1.815 0.558 0.402 0.812 0.312 CB 1.252 17 residues pruned to eliminate duplicates Z: 27 18.273 1.863 0.693 0.585 0.769 0.577 CB 1.362 27 residues pruned to eliminate duplicates Z: 13 13.269 1.886 1.001 0.366 0.750 0.417 N 1.563 13 residues pruned to eliminate duplicates Z: 26 22.637 1.884 0.803 0.539 0.920 0.320 CB 1.394 26 residues pruned to eliminate duplicates Z: 28 12.630 1.800 0.693 0.435 0.667 0.370 CB 1.280 28 residues pruned to eliminate duplicates Z: 27 14.550 1.770 0.645 0.516 0.731 0.462 CB 1.320 27 residues pruned to eliminate duplicates Z: 29 21.279 1.828 0.842 0.620 0.821 0.429 CB 1.298 29 residues pruned to eliminate duplicates Z: 13 14.916 1.939 0.820 0.505 0.833 0.500 CB 1.457 13 residues pruned to eliminate duplicates Z: 27 23.619 1.881 0.736 0.632 0.885 0.615 CB 1.417 27 residues pruned to eliminate duplicates Z: 31 23.316 1.870 0.750 0.614 0.867 0.467 CB 1.348 31 residues pruned to eliminate duplicates Z: 10 6.395 1.578 0.498 0.714 1.000 0.889 CB 0.743 9 residues pruned to eliminate duplicates Z: 9 8.119 1.569 0.441 0.910 1.000 1.000 CB 0.900 10 residues pruned to eliminate duplicates Z: 10 8.152 1.582 0.328 0.881 1.000 0.889 CB 0.937 9 residues pruned to eliminate duplicates Z: 9 6.289 1.556 0.309 0.837 0.875 0.875 CB 0.933 9 residues pruned to eliminate duplicates Z: 8 7.144 1.670 0.323 0.867 1.000 1.000 CB 0.894 8 residues pruned to eliminate duplicates Z: 7 7.307 1.648 0.516 0.893 1.000 1.000 CB 0.857 8 residues pruned to eliminate duplicates Z: 9 9.557 1.581 0.518 0.856 1.000 0.875 CB 1.038 9 residues pruned to eliminate duplicates Z: 6 3.282 1.314 0.566 0.477 0.800 0.600 O 0.912 Z: 7 7.233 1.448 1.327 0.389 1.000 0.333 N 0.986 6 residues pruned to eliminate duplicates Z: 6 5.899 1.596 0.865 0.386 0.800 0.200 CB 1.251 6 residues pruned to eliminate duplicates Z: 11 8.713 1.827 0.839 0.455 0.800 0.400 CB 1.074 8 residues pruned to eliminate duplicates Z: 6 3.741 1.418 0.358 0.520 0.800 0.400 CB 1.065 Z: 6 2.397 1.457 0.220 0.346 0.800 0.800 CB 0.890 Z: 10 21.639 1.882 1.189 0.802 0.889 0.556 CB 1.513 10 residues pruned to eliminate duplicates Z: 21 9.303 1.909 0.493 0.334 0.700 0.350 CB 1.250 21 residues pruned to eliminate duplicates Z: 16 10.805 1.805 0.741 0.460 0.800 0.600 CB 1.156 16 residues pruned to eliminate duplicates Z: 17 8.663 1.860 0.778 0.372 0.750 0.375 CB 1.001 17 residues pruned to eliminate duplicates Z: 15 12.613 1.803 0.608 0.520 0.857 0.500 CB 1.329 15 residues pruned to eliminate duplicates Z: 38 17.717 1.946 0.501 0.409 0.865 0.459 CB 1.269 38 residues pruned to eliminate duplicates Z: 21 10.122 1.960 0.494 0.334 0.750 0.400 CB 1.235 21 residues pruned to eliminate duplicates Z: 19 13.436 1.978 0.661 0.426 0.833 0.611 CB 1.250 19 residues pruned to eliminate duplicates Z: 43 19.725 1.899 0.657 0.472 0.786 0.429 CB 1.267 43 residues pruned to eliminate duplicates Z: 18 16.526 1.972 0.669 0.518 0.941 0.706 CB 1.270 18 residues pruned to eliminate duplicates Z: 31 15.633 1.953 0.550 0.357 0.767 0.500 CB 1.436 31 residues pruned to eliminate duplicates Z: 24 16.137 1.948 0.645 0.442 0.870 0.652 CB 1.282 24 residues pruned to eliminate duplicates Z: 16 11.561 1.975 0.545 0.340 0.933 0.733 CB 1.247 16 residues pruned to eliminate duplicates Z: 52 22.281 1.905 0.670 0.361 0.902 0.451 CB 1.262 42 residues pruned to eliminate duplicates Z: 18 16.253 1.936 0.778 0.732 0.882 0.529 CB 1.054 18 residues pruned to eliminate duplicates Z: 31 16.710 1.951 0.546 0.398 0.933 0.533 CB 1.206 31 residues pruned to eliminate duplicates Z: 39 15.469 1.878 0.633 0.349 0.842 0.342 CB 1.145 39 residues pruned to eliminate duplicates Z: 36 19.012 1.962 0.715 0.362 0.771 0.314 CB 1.436 36 residues pruned to eliminate duplicates Z: 38 18.838 1.971 0.651 0.357 0.811 0.459 CB 1.369 38 residues pruned to eliminate duplicates Z: 20 15.250 1.890 0.667 0.553 0.842 0.526 CB 1.252 20 residues pruned to eliminate duplicates Z: 17 13.800 1.951 0.732 0.518 0.750 0.500 CB 1.336 17 residues pruned to eliminate duplicates Z: 15 14.267 1.954 0.658 0.623 0.786 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 19 12.248 1.863 0.362 0.580 0.778 0.389 CB 1.354 19 residues pruned to eliminate duplicates Z: 18 14.817 1.827 0.673 0.590 0.765 0.529 CB 1.411 18 residues pruned to eliminate duplicates Z: 40 19.973 1.907 0.785 0.427 0.821 0.487 CB 1.235 40 residues pruned to eliminate duplicates Z: 20 12.641 1.879 0.630 0.635 0.737 0.579 CB 1.132 29 residues pruned to eliminate duplicates Z: 16 16.138 1.902 0.765 0.776 0.800 0.600 CB 1.217 16 residues pruned to eliminate duplicates Z: 6 4.420 1.643 0.635 0.610 0.600 0.400 CB 1.104 6 residues pruned to eliminate duplicates Z: 6 5.428 1.724 0.439 0.722 0.800 0.600 N 1.001 7 residues pruned to eliminate duplicates Z: 17 17.892 1.795 0.701 0.876 0.938 0.500 CB 1.136 16 residues pruned to eliminate duplicates Z: 11 8.880 1.540 0.306 0.896 1.000 1.000 CB 1.000 11 residues pruned to eliminate duplicates Z: 10 9.831 1.783 0.417 0.776 1.000 0.889 CB 1.017 10 residues pruned to eliminate duplicates Z: 12 8.894 1.664 0.408 0.665 0.909 0.727 CB 1.081 11 residues pruned to eliminate duplicates Z: 7 7.802 1.815 0.295 0.884 1.000 1.000 CB 0.979 7 residues pruned to eliminate duplicates Z: 12 8.398 1.638 0.406 0.624 0.909 0.727 CB 1.075 12 residues pruned to eliminate duplicates Z: 8 9.399 1.845 0.284 0.909 1.000 1.000 CB 1.064 8 residues pruned to eliminate duplicates Z: 10 10.763 1.778 0.423 0.801 1.000 0.778 CB 1.089 9 residues pruned to eliminate duplicates Z: 9 7.090 1.666 0.335 0.732 0.875 0.875 CB 1.046 9 residues pruned to eliminate duplicates Z: 6 3.200 1.360 0.603 0.306 0.800 0.400 CB 1.019 6 1.324 1.124 0.583 0.100 0.600 0.400 N 0.924 ? Z: 6 2.550 1.375 0.271 0.449 0.600 0.600 O 1.145 6 residues pruned to eliminate duplicates Z: 8 2.713 1.391 0.329 0.228 0.857 0.286 CB 0.889 8 residues pruned to eliminate duplicates Z: 8 8.547 1.772 0.178 0.836 1.000 0.857 CB 1.159 20 residues pruned to eliminate duplicates Z: 11 8.190 1.660 0.758 0.858 0.800 0.600 CB 0.817 11 residues pruned to eliminate duplicates Z: 10 8.256 1.686 0.442 0.533 0.889 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 12 5.872 1.554 0.423 0.493 0.818 0.636 CB 0.986 12 residues pruned to eliminate duplicates Z: 12 4.959 1.558 0.415 0.559 0.727 0.364 CB 0.880 10 residues pruned to eliminate duplicates Z: 12 14.459 1.628 0.785 0.915 1.000 1.000 CB 1.060 16 residues pruned to eliminate duplicates Z: 11 12.304 1.657 0.585 0.874 1.000 0.700 CB 1.078 11 residues pruned to eliminate duplicates Z: 19 7.589 1.578 0.381 0.497 0.833 0.444 CB 0.988 19 residues pruned to eliminate duplicates Z: 15 8.984 1.586 0.516 0.701 0.786 0.357 CB 1.058 11 residues pruned to eliminate duplicates Z: 12 12.288 1.644 0.918 0.830 0.909 0.727 CB 0.972 12 residues pruned to eliminate duplicates Z: 11 16.486 1.833 0.733 0.817 0.900 0.600 O 1.385 11 residues pruned to eliminate duplicates Z: 10 11.751 1.850 0.479 0.813 0.889 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 11 9.647 1.743 0.595 0.586 0.800 0.600 CB 1.263 11 residues pruned to eliminate duplicates Z: 10 14.433 1.831 0.776 0.756 0.889 0.556 CB 1.326 10 residues pruned to eliminate duplicates Z: 23 19.147 1.887 0.652 0.605 0.909 0.682 CB 1.304 23 residues pruned to eliminate duplicates Z: 10 9.524 1.811 0.680 0.667 0.667 0.667 CB 1.341 10 residues pruned to eliminate duplicates Z: 12 15.839 1.862 0.776 0.728 0.909 0.727 CB 1.294 12 residues pruned to eliminate duplicates Z: 31 16.161 1.762 0.454 0.498 0.933 0.467 CB 1.236 31 residues pruned to eliminate duplicates Z: 12 11.934 1.816 0.490 0.685 0.818 0.636 CB 1.372 12 residues pruned to eliminate duplicates Z: 20 15.180 1.781 0.668 0.608 0.737 0.474 CB 1.435 28 residues pruned to eliminate duplicates Z: 19 18.443 1.719 0.691 0.731 0.944 0.722 CB 1.286 19 residues pruned to eliminate duplicates Z: 23 17.115 1.719 0.695 0.610 0.864 0.545 CB 1.305 23 residues pruned to eliminate duplicates Z: 18 17.546 1.739 0.724 0.689 0.882 0.588 CB 1.353 18 residues pruned to eliminate duplicates Z: 21 14.354 1.778 0.578 0.682 0.700 0.350 CB 1.383 21 residues pruned to eliminate duplicates Z: 18 10.839 1.621 0.681 0.545 0.706 0.235 O 1.308 Z: 6 9.674 1.573 0.701 0.854 1.000 0.400 N 1.194 6 residues pruned to eliminate duplicates Z: 8 8.890 1.701 0.744 0.522 0.857 0.143 N 1.294 6 residues pruned to eliminate duplicates Z: 9 7.707 1.522 0.838 0.588 0.750 0.500 CB 1.194 8 residues pruned to eliminate duplicates Z: 12 6.617 1.609 0.337 0.429 0.727 0.364 CB 1.372 12 residues pruned to eliminate duplicates Z: 19 8.457 1.691 0.570 0.431 0.611 0.500 N 1.321 40 residues pruned to eliminate duplicates Z: 15 9.198 1.716 0.494 0.400 0.857 0.286 CB 1.244 15 residues pruned to eliminate duplicates Z: 11 8.419 1.809 0.369 0.353 0.900 0.400 N 1.399 11 residues pruned to eliminate duplicates Z: 17 11.766 1.669 0.685 0.524 1.000 0.625 CB 1.021 17 residues pruned to eliminate duplicates Z: 15 6.105 1.632 0.448 0.192 0.786 0.500 CB 1.270 15 residues pruned to eliminate duplicates Z: 21 7.756 1.709 0.375 0.326 0.750 0.500 CB 1.192 21 residues pruned to eliminate duplicates Z: 16 7.390 1.746 0.294 0.250 0.800 0.467 CB 1.407 16 residues pruned to eliminate duplicates Z: 20 10.480 1.723 0.314 0.347 0.895 0.579 CB 1.402 20 residues pruned to eliminate duplicates Z: 22 11.530 1.716 0.389 0.457 0.952 0.714 CB 1.158 22 residues pruned to eliminate duplicates Z: 22 11.896 1.668 0.314 0.484 0.952 0.429 CB 1.264 31 residues pruned to eliminate duplicates Z: 9 12.626 1.781 0.638 0.838 1.000 0.750 CB 1.143 9 residues pruned to eliminate duplicates Z: 8 14.389 1.824 0.691 0.875 1.000 1.000 CB 1.283 8 residues pruned to eliminate duplicates Z: 11 14.793 1.740 0.769 0.733 1.000 0.600 CB 1.232 10 residues pruned to eliminate duplicates Z: 9 14.523 1.784 0.659 0.864 1.000 0.875 CB 1.273 9 residues pruned to eliminate duplicates Z: 13 10.038 1.592 0.412 0.718 0.917 0.750 CB 1.155 13 residues pruned to eliminate duplicates Z: 11 13.338 1.728 0.512 0.760 1.000 0.500 CB 1.281 11 residues pruned to eliminate duplicates Z: 13 11.256 1.670 0.616 0.684 0.833 0.583 CB 1.220 11 residues pruned to eliminate duplicates Z: 9 15.557 1.834 0.634 0.913 1.000 1.000 CB 1.299 12 residues pruned to eliminate duplicates Z: 8 8.392 1.642 0.199 0.850 1.000 1.000 O 1.193 7 residues pruned to eliminate duplicates Z: 8 10.451 1.721 0.318 0.861 1.000 1.000 CB 1.279 8 residues pruned to eliminate duplicates Z: 8 9.006 1.682 0.479 0.753 0.857 0.857 N 1.274 8 residues pruned to eliminate duplicates Z: 11 8.673 1.590 0.840 0.473 0.800 0.400 CB 1.204 9 residues pruned to eliminate duplicates Z: 9 13.366 1.636 0.725 0.805 1.000 0.625 CB 1.282 10 residues pruned to eliminate duplicates Z: 9 13.879 1.653 0.734 0.793 1.000 0.875 CB 1.325 12 residues pruned to eliminate duplicates Z: 10 10.878 1.622 0.644 0.744 0.889 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 8 5.063 1.708 0.318 0.608 0.571 0.429 O 1.343 8 residues pruned to eliminate duplicates Z: 6 3.094 1.478 0.524 0.539 0.600 0.400 CB 0.986 Z: 48 17.844 1.822 0.474 0.498 0.830 0.660 CB 1.169 48 residues pruned to eliminate duplicates Z: 30 13.397 1.786 0.470 0.444 0.828 0.414 CB 1.212 30 residues pruned to eliminate duplicates Z: 6 4.806 1.612 0.150 0.492 1.000 0.800 CB 1.169 11 residues pruned to eliminate duplicates Z: 8 9.979 1.667 0.773 0.778 1.000 0.714 CB 0.999 8 residues pruned to eliminate duplicates Z: 6 4.168 1.441 0.670 0.817 0.800 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 9 4.856 1.542 0.510 0.573 0.750 0.500 CB 0.916 9 residues pruned to eliminate duplicates Z: 10 5.283 1.568 0.481 0.602 0.778 0.556 CB 0.885 10 residues pruned to eliminate duplicates Z: 9 8.630 1.625 0.747 0.652 0.750 0.375 N 1.243 9 residues pruned to eliminate duplicates Z: 7 3.436 1.452 0.898 0.499 0.500 0.333 CB 1.019 Z: 6 4.202 1.406 0.535 0.726 0.800 0.600 CB 0.887 7 residues pruned to eliminate duplicates Z: 6 7.639 1.504 1.089 0.748 1.000 0.800 CB 0.872 6 residues pruned to eliminate duplicates Z: 6 4.815 1.507 1.019 0.766 1.000 1.000 CB 0.559 6 residues pruned to eliminate duplicates Z: 6 3.122 1.522 0.746 0.736 1.000 0.600 CB 0.425 6 residues pruned to eliminate duplicates Z: 20 9.505 1.738 0.313 0.423 0.895 0.684 CB 1.157 23 residues pruned to eliminate duplicates Z: 16 8.878 1.554 0.649 0.517 0.800 0.600 CB 1.099 26 residues pruned to eliminate duplicates Z: 9 8.353 1.639 0.678 0.460 0.875 0.500 CB 1.278 Z: 7 4.538 1.553 0.527 0.277 0.833 0.500 N 1.207 7 residues pruned to eliminate duplicates Z: 9 7.377 1.820 0.601 0.271 1.000 0.750 CB 1.161 18 residues pruned to eliminate duplicates Z: 15 11.017 1.751 0.641 0.477 0.857 0.714 CB 1.224 22 residues pruned to eliminate duplicates Z: 7 9.243 1.804 0.143 0.882 1.000 0.833 O 1.324 7 residues pruned to eliminate duplicates Z: 23 12.785 1.764 0.552 0.438 0.909 0.727 CB 1.167 23 residues pruned to eliminate duplicates Z: 23 11.152 1.711 0.476 0.379 0.909 0.545 CB 1.178 23 residues pruned to eliminate duplicates Z: 16 9.409 1.741 0.530 0.438 0.867 0.467 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 12.881 1.751 0.563 0.549 0.857 0.571 CB 1.398 15 residues pruned to eliminate duplicates Z: 28 15.523 1.727 0.539 0.499 0.963 0.519 CB 1.169 30 residues pruned to eliminate duplicates Z: 12 9.924 1.618 0.410 0.884 0.909 0.727 CB 1.042 11 residues pruned to eliminate duplicates Z: 13 10.990 1.609 0.488 0.896 1.000 0.750 CB 0.950 13 residues pruned to eliminate duplicates Z: 9 5.993 1.550 0.674 0.740 0.750 0.375 CB 0.878 9 residues pruned to eliminate duplicates Z: 29 12.368 1.678 0.451 0.515 0.857 0.393 CB 1.103 29 residues pruned to eliminate duplicates 7 1.488 1.504 0.263 0.238 0.667 0.167 CB 0.650 ? Z: 20 9.205 1.680 0.140 0.495 0.895 0.737 O 1.239 16 residues pruned to eliminate duplicates Z: 14 8.222 1.667 0.094 0.653 0.923 0.769 CB 1.175 14 residues pruned to eliminate duplicates Z: 7 5.141 1.689 0.207 0.508 0.833 0.333 O 1.225 7 residues pruned to eliminate duplicates Z: 11 4.569 1.593 0.274 0.365 0.900 0.600 CB 0.915 11 residues pruned to eliminate duplicates Z: 16 7.618 1.760 0.456 0.401 0.733 0.467 O 1.161 16 residues pruned to eliminate duplicates Z: 13 11.791 1.783 0.670 0.693 0.917 0.667 CB 1.046 13 residues pruned to eliminate duplicates Z: 17 10.899 1.721 0.573 0.570 0.812 0.625 CB 1.158 12 residues pruned to eliminate duplicates Z: 10 14.444 1.683 0.837 0.921 1.000 0.889 CB 1.096 10 residues pruned to eliminate duplicates Z: 11 14.552 1.787 0.957 0.724 0.900 0.600 CB 1.195 11 residues pruned to eliminate duplicates Z: 18 10.197 1.687 0.546 0.492 0.824 0.588 CB 1.161 18 residues pruned to eliminate duplicates Z: 17 11.282 1.723 0.850 0.500 0.750 0.562 CB 1.180 17 residues pruned to eliminate duplicates Z: 9 4.498 1.743 0.617 0.163 0.625 0.125 N 1.361 9 residues pruned to eliminate duplicates Z: 7 2.508 1.265 0.490 0.459 0.833 0.333 N 0.679 7 residues pruned to eliminate duplicates Z: 21 11.543 1.657 0.441 0.464 0.900 0.500 CB 1.245 18 residues pruned to eliminate duplicates Z: 11 11.609 1.864 0.843 0.628 0.800 0.500 CB 1.184 11 residues pruned to eliminate duplicates Z: 15 15.028 1.958 0.778 0.447 1.000 0.643 CB 1.218 15 residues pruned to eliminate duplicates Z: 13 12.861 1.878 0.446 0.496 0.917 0.250 CB 1.497 13 residues pruned to eliminate duplicates Z: 15 7.797 1.739 0.645 0.421 0.643 0.357 CB 1.230 15 residues pruned to eliminate duplicates Z: 9 8.111 1.794 0.911 0.569 0.625 0.375 CB 1.253 9 residues pruned to eliminate duplicates Z: 7 7.760 1.762 0.775 0.594 0.833 0.333 CB 1.111 7 residues pruned to eliminate duplicates Z: 16 8.912 1.882 0.791 0.383 0.667 0.400 CB 1.159 16 residues pruned to eliminate duplicates Z: 10 6.126 1.955 0.612 0.273 0.778 0.556 CB 1.077 10 residues pruned to eliminate duplicates Z: 15 11.445 1.946 0.753 0.415 0.857 0.357 CB 1.143 15 residues pruned to eliminate duplicates Z: 16 15.042 1.938 0.840 0.414 0.867 0.333 CB 1.375 16 residues pruned to eliminate duplicates Z: 8 10.914 1.952 0.993 0.450 1.000 0.714 CB 1.116 8 residues pruned to eliminate duplicates Z: 9 6.934 1.791 0.813 0.181 0.875 0.250 CB 1.267 9 residues pruned to eliminate duplicates Z: 21 18.060 1.842 0.535 0.651 0.950 0.600 CB 1.305 21 residues pruned to eliminate duplicates Z: 20 16.537 1.720 0.655 0.527 0.947 0.474 CB 1.370 20 residues pruned to eliminate duplicates Z: 9 7.464 1.749 0.513 0.405 0.875 0.250 N 1.259 9 residues pruned to eliminate duplicates Z: 18 17.176 1.822 0.710 0.646 0.882 0.647 CB 1.322 18 residues pruned to eliminate duplicates Z: 22 14.454 1.821 0.491 0.619 0.905 0.714 CB 1.147 22 residues pruned to eliminate duplicates Z: 21 18.533 1.840 0.757 0.667 0.950 0.800 CB 1.156 21 residues pruned to eliminate duplicates Z: 14 20.303 1.820 0.698 0.756 1.000 0.308 CB 1.451 13 residues pruned to eliminate duplicates Z: 13 18.598 1.899 0.559 0.828 0.917 0.500 O 1.489 13 residues pruned to eliminate duplicates Z: 37 23.702 1.912 0.346 0.661 1.000 0.694 CB 1.322 37 residues pruned to eliminate duplicates Z: 23 16.582 1.829 0.570 0.583 0.909 0.500 CB 1.250 24 residues pruned to eliminate duplicates Z: 14 16.677 1.851 0.569 0.838 0.846 0.769 CB 1.407 14 residues pruned to eliminate duplicates Z: 16 10.474 1.780 0.239 0.560 0.933 0.800 CB 1.240 16 residues pruned to eliminate duplicates Z: 18 15.469 1.874 0.433 0.617 0.882 0.588 CB 1.418 18 residues pruned to eliminate duplicates Z: 26 18.092 1.910 0.363 0.605 0.920 0.680 CB 1.367 26 residues pruned to eliminate duplicates Z: 23 21.174 1.889 0.620 0.662 0.909 0.591 CB 1.397 23 residues pruned to eliminate duplicates Z: 23 9.672 1.687 0.919 0.323 0.727 0.409 CB 1.065 23 residues pruned to eliminate duplicates Z: 24 21.657 1.877 0.647 0.635 0.913 0.609 CB 1.410 23 residues pruned to eliminate duplicates Z: 18 20.740 1.949 0.476 0.802 1.000 0.824 CB 1.344 18 residues pruned to eliminate duplicates Z: 28 26.000 2.057 0.633 0.707 0.926 0.704 CB 1.333 28 residues pruned to eliminate duplicates Z: 35 24.194 1.994 0.523 0.602 0.941 0.765 CB 1.317 35 residues pruned to eliminate duplicates Z: 38 27.908 1.946 0.749 0.692 0.865 0.595 CB 1.308 38 residues pruned to eliminate duplicates Z: 55 30.824 1.941 0.702 0.650 0.852 0.611 CB 1.296 55 residues pruned to eliminate duplicates Z: 29 19.051 1.958 0.632 0.626 0.786 0.643 CB 1.273 29 residues pruned to eliminate duplicates Z: 38 26.102 1.922 0.692 0.681 0.892 0.649 CB 1.252 38 residues pruned to eliminate duplicates Z: 18 20.002 2.054 0.571 0.745 0.941 0.706 CB 1.283 18 residues pruned to eliminate duplicates Z: 19 16.591 2.069 0.587 0.735 0.833 0.722 CB 1.157 19 residues pruned to eliminate duplicates Z: 31 18.708 1.915 0.456 0.663 0.833 0.533 CB 1.263 31 residues pruned to eliminate duplicates Z: 42 33.797 1.976 0.659 0.717 0.927 0.634 CB 1.428 42 residues pruned to eliminate duplicates Z: 43 27.425 1.881 0.673 0.658 0.905 0.619 CB 1.283 43 residues pruned to eliminate duplicates Z: 41 28.273 1.945 0.628 0.666 0.925 0.675 CB 1.309 41 residues pruned to eliminate duplicates Z: 20 24.461 1.935 0.738 0.874 0.947 0.789 CB 1.282 20 residues pruned to eliminate duplicates Z: 33 32.077 2.008 0.916 0.637 0.969 0.469 CB 1.338 33 residues pruned to eliminate duplicates Z: 19 39.437 2.149 1.092 0.849 0.944 0.722 CB 1.623 19 residues pruned to eliminate duplicates Z: 39 32.190 1.968 0.836 0.682 0.895 0.658 CB 1.366 39 residues pruned to eliminate duplicates Z: 58 38.047 1.965 0.738 0.661 0.912 0.667 CB 1.392 58 residues pruned to eliminate duplicates Z: 43 33.338 1.969 0.793 0.698 0.905 0.429 CB 1.344 43 residues pruned to eliminate duplicates Z: 34 27.340 1.990 0.805 0.655 0.818 0.576 CB 1.402 34 residues pruned to eliminate duplicates Z: 50 34.903 1.944 0.790 0.643 0.939 0.694 CB 1.335 50 residues pruned to eliminate duplicates Z: 56 32.107 1.902 0.788 0.626 0.855 0.618 CB 1.322 56 residues pruned to eliminate duplicates Z: 34 21.867 1.932 0.658 0.542 0.818 0.576 CB 1.393 34 residues pruned to eliminate duplicates Z: 32 30.759 2.004 0.950 0.677 0.839 0.516 CB 1.433 32 residues pruned to eliminate duplicates Z: 17 8.276 1.842 0.739 0.393 0.688 0.375 CB 1.052 17 residues pruned to eliminate duplicates Z: 55 42.574 1.966 0.894 0.719 0.944 0.481 CB 1.351 55 residues pruned to eliminate duplicates Z: 16 14.020 1.854 0.549 0.524 0.933 0.600 CB 1.319 16 residues pruned to eliminate duplicates Z: 40 28.520 1.937 0.805 0.680 0.872 0.410 CB 1.269 40 residues pruned to eliminate duplicates Z: 53 34.546 1.966 0.615 0.636 0.923 0.712 CB 1.440 53 residues pruned to eliminate duplicates Z: 54 29.812 1.899 0.676 0.579 0.906 0.660 CB 1.317 54 residues pruned to eliminate duplicates Z: 7 10.898 1.963 0.795 0.619 0.833 0.667 CB 1.355 7 residues pruned to eliminate duplicates Z: 18 9.200 1.815 0.364 0.399 0.824 0.529 CB 1.217 18 residues pruned to eliminate duplicates Z: 56 38.537 1.961 0.842 0.658 0.891 0.600 CB 1.394 56 residues pruned to eliminate duplicates Z: 10 6.724 1.742 0.957 0.579 0.778 0.667 CB 0.783 10 residues pruned to eliminate duplicates Z: 12 6.301 1.848 0.454 0.403 0.727 0.636 CB 1.077 12 residues pruned to eliminate duplicates Z: 12 7.704 1.845 0.556 0.396 0.818 0.636 CB 1.104 12 residues pruned to eliminate duplicates Z: 7 3.778 1.701 0.246 0.531 0.833 0.500 CB 0.847 7 residues pruned to eliminate duplicates Z: 16 12.831 1.818 0.374 0.740 0.933 0.933 CB 1.146 16 residues pruned to eliminate duplicates Z: 14 7.384 1.659 0.187 0.669 0.923 0.462 CB 0.963 14 residues pruned to eliminate duplicates Z: 16 9.486 1.842 0.223 0.777 0.867 0.867 CB 0.983 16 residues pruned to eliminate duplicates Z: 12 13.492 1.890 0.544 0.744 0.909 0.818 CB 1.234 12 residues pruned to eliminate duplicates Z: 10 9.966 1.893 0.409 0.756 0.778 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 11 12.866 1.908 0.495 0.825 1.000 1.000 CB 1.076 11 residues pruned to eliminate duplicates Z: 14 14.244 1.862 0.736 0.783 0.846 0.846 CB 1.125 14 residues pruned to eliminate duplicates Z: 12 14.707 1.774 0.739 0.699 1.000 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 12 17.426 1.907 0.779 0.884 0.909 0.727 CB 1.231 12 residues pruned to eliminate duplicates Z: 27 15.230 1.824 0.626 0.554 0.846 0.577 CB 1.129 27 residues pruned to eliminate duplicates Z: 36 20.892 1.859 0.777 0.554 0.886 0.600 CB 1.145 36 residues pruned to eliminate duplicates Z: 33 15.435 1.818 0.587 0.482 0.844 0.469 CB 1.141 33 residues pruned to eliminate duplicates Z: 24 18.151 1.925 0.557 0.623 0.870 0.696 CB 1.294 24 residues pruned to eliminate duplicates Z: 24 17.108 1.919 0.648 0.580 0.826 0.609 CB 1.264 24 residues pruned to eliminate duplicates Z: 10 10.253 1.816 1.019 0.387 0.778 0.333 N 1.351 10 residues pruned to eliminate duplicates Z: 11 10.013 1.870 0.511 0.502 0.800 0.600 CB 1.398 11 residues pruned to eliminate duplicates Z: 38 14.654 1.809 0.585 0.439 0.784 0.432 CB 1.142 38 residues pruned to eliminate duplicates Z: 24 14.154 1.879 0.527 0.556 0.783 0.478 CB 1.245 24 residues pruned to eliminate duplicates Z: 54 29.157 1.936 0.717 0.626 0.868 0.660 CB 1.233 54 residues pruned to eliminate duplicates Z: 24 16.184 1.909 0.622 0.583 0.870 0.696 CB 1.158 24 residues pruned to eliminate duplicates Z: 10 2.775 1.691 0.350 0.121 0.556 0.222 CB 1.175 4 residues pruned to eliminate duplicates Z: 8 11.324 1.632 0.573 0.781 1.000 0.714 CB 1.302 8 residues pruned to eliminate duplicates Z: 19 7.727 1.622 0.397 0.392 0.722 0.444 N 1.247 27 residues pruned to eliminate duplicates Z: 14 9.104 1.488 0.601 0.667 0.846 0.308 CB 1.074 14 residues pruned to eliminate duplicates Z: 16 9.336 1.591 0.293 0.442 0.933 0.467 CB 1.333 16 residues pruned to eliminate duplicates Z: 21 11.569 1.608 0.440 0.652 0.850 0.450 CB 1.141 23 residues pruned to eliminate duplicates Z: 10 7.467 1.519 0.309 0.655 0.889 0.889 N 1.220 10 residues pruned to eliminate duplicates Z: 18 8.394 1.598 0.354 0.561 0.765 0.529 CB 1.160 18 residues pruned to eliminate duplicates Z: 10 9.425 1.584 0.376 0.652 1.000 0.556 CB 1.251 10 residues pruned to eliminate duplicates Z: 16 8.254 1.592 0.226 0.535 0.933 0.533 CB 1.131 16 residues pruned to eliminate duplicates Z: 16 6.390 1.542 0.246 0.523 0.800 0.467 CB 1.050 16 residues pruned to eliminate duplicates Z: 10 4.200 1.610 0.427 0.238 0.889 0.222 CB 0.929 11 residues pruned to eliminate duplicates 6 1.588 1.422 0.046 0.453 0.600 0.400 CB 0.835 ? Z: 6 3.229 1.381 0.656 0.521 0.800 0.600 CB 0.774 Z: 7 6.358 1.691 0.790 0.564 0.833 0.167 CB 0.967 5 residues pruned to eliminate duplicates Z: 7 5.513 1.670 1.044 0.764 0.667 0.333 CB 0.783 Z: 9 6.406 1.376 0.744 0.739 0.875 0.500 CB 0.871 6 residues pruned to eliminate duplicates Z: 7 7.399 1.687 0.833 0.785 1.000 0.667 CB 0.761 7 residues pruned to eliminate duplicates Z: 21 13.987 1.885 0.527 0.562 0.800 0.600 CB 1.279 15 residues pruned to eliminate duplicates Z: 6 6.238 1.847 0.426 0.412 1.000 0.600 CB 1.161 6 residues pruned to eliminate duplicates Z: 20 12.612 1.868 0.316 0.531 0.895 0.368 CB 1.275 20 residues pruned to eliminate duplicates Z: 15 10.600 1.884 0.417 0.459 0.929 0.357 CB 1.192 15 residues pruned to eliminate duplicates Z: 10 10.190 1.894 0.284 0.611 1.000 0.667 CB 1.257 10 residues pruned to eliminate duplicates Z: 17 11.535 1.820 0.636 0.403 0.750 0.500 CB 1.430 10 residues pruned to eliminate duplicates Z: 9 10.473 1.648 0.831 0.537 0.875 0.500 CB 1.352 9 residues pruned to eliminate duplicates Z: 26 11.645 1.859 0.416 0.477 0.760 0.400 CB 1.192 26 residues pruned to eliminate duplicates Z: 15 13.790 1.845 0.527 0.610 0.857 0.500 CB 1.375 15 residues pruned to eliminate duplicates Z: 13 4.825 1.729 0.369 0.305 0.833 0.500 CB 0.877 13 residues pruned to eliminate duplicates Z: 16 5.602 1.779 0.333 0.244 0.667 0.267 CB 1.229 16 residues pruned to eliminate duplicates Z: 15 7.668 1.796 0.265 0.407 0.857 0.357 CB 1.161 15 residues pruned to eliminate duplicates Z: 6 3.891 1.535 0.624 0.311 0.800 0.400 CB 1.076 Z: 6 3.984 1.622 0.742 0.662 0.600 0.600 CB 0.905 Z: 7 5.106 1.662 0.488 0.378 1.000 0.833 CB 0.960 5 residues pruned to eliminate duplicates Z: 6 7.254 1.492 0.995 0.367 1.000 0.400 CB 1.257 6 residues pruned to eliminate duplicates Z: 15 6.256 1.585 0.284 0.499 0.786 0.429 CB 1.047 21 residues pruned to eliminate duplicates Z: 10 7.873 1.744 0.632 0.665 1.000 0.778 CB 0.791 15 residues pruned to eliminate duplicates Z: 19 16.437 1.769 0.501 0.678 1.000 0.611 CB 1.239 35 residues pruned to eliminate duplicates Z: 17 20.458 1.789 0.694 0.864 1.000 0.625 CB 1.238 17 residues pruned to eliminate duplicates Z: 17 17.378 1.753 0.734 0.844 0.938 0.875 CB 1.134 17 residues pruned to eliminate duplicates Z: 14 6.614 1.687 0.156 0.362 0.769 0.538 CB 1.419 14 residues pruned to eliminate duplicates Z: 21 11.856 1.737 0.635 0.568 0.850 0.550 CB 1.028 21 residues pruned to eliminate duplicates Z: 14 13.350 1.873 0.743 0.740 0.923 0.615 CB 0.992 14 residues pruned to eliminate duplicates Z: 29 11.401 1.651 0.653 0.385 0.750 0.429 CB 1.190 29 residues pruned to eliminate duplicates Z: 30 14.012 1.712 0.455 0.446 0.931 0.483 CB 1.186 30 residues pruned to eliminate duplicates Z: 26 11.840 1.731 0.428 0.465 0.880 0.600 CB 1.128 49 residues pruned to eliminate duplicates Z: 6 8.232 1.929 0.463 0.663 0.800 0.400 N 1.402 6 residues pruned to eliminate duplicates Z: 15 10.948 1.802 0.557 0.557 0.857 0.571 CB 1.151 15 residues pruned to eliminate duplicates Z: 16 9.361 1.804 0.682 0.436 0.733 0.333 CB 1.160 16 residues pruned to eliminate duplicates Z: 21 15.485 1.859 0.784 0.570 0.750 0.400 CB 1.300 21 residues pruned to eliminate duplicates Z: 20 14.678 1.846 0.544 0.515 0.842 0.526 CB 1.383 20 residues pruned to eliminate duplicates Z: 19 17.367 1.846 0.915 0.553 0.833 0.667 CB 1.320 19 residues pruned to eliminate duplicates Z: 12 6.853 1.783 0.397 0.344 0.727 0.455 CB 1.353 Z: 19 18.193 1.783 0.773 0.804 0.944 0.833 O 1.101 31 residues pruned to eliminate duplicates Z: 11 10.429 1.871 0.505 0.556 0.900 0.700 O 1.233 943 residues left after pruning, divided into chains as follows: A: 27 B: 7 C: 8 D: 66 E: 8 F: 14 G: 13 H: 45 I: 68 J: 13 K: 23 L: 6 M: 78 N: 11 O: 9 P: 18 Q: 16 R: 7 S: 16 T: 10 U: 11 V: 8 W: 24 X: 7 Y: 32 Z: 6 Z: 33 Z: 9 Z: 9 Z: 6 Z: 11 Z: 6 Z: 6 Z: 23 Z: 10 Z: 9 Z: 32 Z: 19 Z: 92 Z: 48 Z: 28 Z: 15 Z: 12 Z: 24 CC for partial structure against native data = 36.00 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.543, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.632, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.745, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.764, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.779, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.785, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.790, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.791, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.792, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.791, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3778 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 992 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 22.473 2.089 0.715 0.917 1.000 0.778 CB 1.475 B: 9 16.180 1.900 1.162 0.699 0.875 0.750 CB 1.327 C: 7 4.199 1.729 0.197 0.254 0.833 0.667 N 1.318 D: 11 13.322 1.836 0.501 0.890 0.900 0.800 CB 1.222 E: 32 15.937 1.837 0.556 0.590 0.774 0.613 CB 1.187 F: 20 9.177 1.828 0.403 0.539 0.632 0.474 CB 1.251 G: 20 33.608 1.955 0.831 0.943 1.000 0.947 CB 1.492 H: 6 14.615 2.065 0.548 0.669 1.000 0.800 N 1.749 I: 20 31.727 1.933 0.808 0.904 1.000 0.895 CB 1.483 20 residues pruned to eliminate duplicates J: 12 9.396 1.945 0.534 0.582 0.818 0.364 CB 1.072 K: 9 6.500 1.693 0.600 0.335 0.750 0.500 N 1.355 9 residues pruned to eliminate duplicates L: 24 30.858 2.008 0.720 0.872 1.000 0.870 CB 1.358 M: 25 27.486 1.955 0.971 0.803 0.917 0.583 CB 1.219 25 residues pruned to eliminate duplicates N: 17 14.458 1.854 0.471 0.788 0.812 0.625 CB 1.266 O: 8 3.593 1.782 0.180 0.377 0.571 0.429 O 1.288 8 residues pruned to eliminate duplicates P: 19 21.873 1.775 0.551 0.900 1.000 0.833 CB 1.338 Q: 15 27.574 1.988 0.833 0.919 1.000 0.714 CB 1.425 10 residues pruned to eliminate duplicates R: 7 6.035 1.725 0.268 0.789 0.833 0.833 CB 1.049 S: 10 10.869 1.919 0.484 0.690 0.889 0.778 CB 1.203 T: 19 7.495 1.769 0.385 0.266 0.778 0.333 CB 1.210 U: 27 12.919 1.643 0.445 0.765 0.923 0.500 CB 0.914 V: 24 32.336 2.026 0.877 0.850 0.913 0.783 CB 1.439 24 residues pruned to eliminate duplicates W: 15 15.540 1.839 0.446 0.836 0.857 0.500 CB 1.364 X: 19 21.662 1.908 0.591 0.863 0.944 0.833 CB 1.306 19 residues pruned to eliminate duplicates Y: 11 16.318 1.962 0.963 0.556 0.900 0.600 CB 1.410 Z: 6 11.733 2.045 0.710 0.831 0.800 0.800 CB 1.409 8 residues pruned to eliminate duplicates Z: 31 30.020 1.972 0.822 0.695 0.867 0.467 CB 1.473 32 residues pruned to eliminate duplicates Z: 20 28.694 1.885 0.773 0.891 1.000 0.684 CB 1.416 20 residues pruned to eliminate duplicates Z: 28 12.892 1.838 0.385 0.505 0.741 0.519 CB 1.310 28 residues pruned to eliminate duplicates Z: 10 8.866 1.755 0.483 0.575 0.889 0.556 CB 1.188 Z: 6 4.298 1.311 0.480 0.758 0.800 0.600 O 0.985 Z: 8 14.211 1.886 0.963 0.800 0.857 0.571 CB 1.303 8 residues pruned to eliminate duplicates Z: 14 17.316 1.821 0.805 0.783 0.846 0.538 CB 1.345 Z: 18 5.360 1.689 0.124 0.308 0.706 0.471 CB 1.202 Z: 19 22.549 1.995 0.817 0.829 0.833 0.389 CB 1.324 19 residues pruned to eliminate duplicates Z: 25 12.302 1.807 0.441 0.633 0.833 0.667 CB 1.021 20 residues pruned to eliminate duplicates Z: 10 23.634 2.154 0.683 0.930 1.000 0.889 CB 1.520 11 residues pruned to eliminate duplicates Z: 8 10.675 1.812 0.665 0.793 0.857 0.714 CB 1.207 7 residues pruned to eliminate duplicates Z: 9 9.278 1.382 1.170 0.898 1.000 1.000 CB 0.783 Z: 11 11.400 1.653 0.747 0.801 0.900 0.700 CB 1.066 Z: 17 25.192 1.891 0.754 0.861 0.938 0.812 N 1.488 18 residues pruned to eliminate duplicates Z: 12 9.941 1.726 0.488 0.845 1.000 0.636 CB 0.868 Z: 13 15.533 1.632 0.874 0.824 1.000 0.750 CB 1.107 9 residues pruned to eliminate duplicates Z: 9 9.165 1.866 0.448 0.842 0.875 0.750 CB 1.021 Z: 14 23.823 1.862 0.983 0.842 1.000 0.769 CB 1.333 Z: 10 15.587 1.652 0.972 0.842 0.889 0.778 O 1.337 Z: 8 6.015 1.648 0.930 0.384 0.571 0.429 CB 1.416 Z: 7 8.378 1.880 0.163 0.687 0.833 0.667 N 1.581 7 residues pruned to eliminate duplicates Z: 16 32.562 2.032 1.014 0.906 1.000 0.733 CB 1.462 14 residues pruned to eliminate duplicates Z: 19 28.955 1.993 0.616 0.906 1.000 0.944 CB 1.507 19 residues pruned to eliminate duplicates Z: 13 10.025 1.826 0.530 0.437 0.750 0.667 O 1.473 13 residues pruned to eliminate duplicates Z: 10 5.363 1.599 0.193 0.460 0.778 0.444 CB 1.255 Z: 12 12.089 1.823 0.595 0.826 0.818 0.818 CB 1.155 12 residues pruned to eliminate duplicates Z: 64 25.546 1.885 0.591 0.528 0.857 0.587 CB 1.218 64 residues pruned to eliminate duplicates Z: 7 9.976 1.809 0.747 0.584 0.833 0.667 CB 1.427 Z: 14 17.509 1.703 0.763 0.908 1.000 0.846 CB 1.149 11 residues pruned to eliminate duplicates Z: 10 10.782 1.651 0.243 0.897 1.000 0.889 CB 1.254 Z: 17 9.093 1.917 0.743 0.284 0.625 0.312 CB 1.389 8 residues pruned to eliminate duplicates Z: 8 7.748 1.745 0.329 0.794 0.857 0.571 CB 1.138 8 residues pruned to eliminate duplicates Z: 12 5.885 1.507 0.321 0.610 0.727 0.364 CB 1.104 Z: 11 18.288 1.957 0.695 0.851 1.000 0.800 CB 1.291 11 residues pruned to eliminate duplicates Z: 21 17.569 1.850 0.687 0.782 0.850 0.700 CB 1.155 21 residues pruned to eliminate duplicates Z: 10 6.626 1.803 -0.106 0.885 1.000 0.667 CB 0.989 10 residues pruned to eliminate duplicates Z: 14 21.478 1.795 1.120 0.836 0.846 0.385 N 1.385 14 residues pruned to eliminate duplicates Z: 11 9.127 1.795 0.522 0.795 0.900 0.800 CB 0.907 Z: 12 6.047 1.865 0.399 0.884 0.909 0.909 CB 0.556 Z: 6 2.684 1.563 0.412 0.416 1.000 0.400 CB 0.594 Z: 16 19.486 1.911 0.841 0.831 0.867 0.667 CB 1.239 16 residues pruned to eliminate duplicates Z: 10 8.403 1.759 0.150 0.790 0.889 0.889 CB 1.208 10 residues pruned to eliminate duplicates Z: 11 17.704 1.857 0.686 0.850 1.000 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 9 5.569 1.901 0.298 0.249 0.750 0.375 CB 1.420 Z: 6 4.368 1.527 0.286 0.545 0.800 0.600 O 1.189 Z: 22 12.601 1.795 0.296 0.531 0.857 0.619 CB 1.338 Z: 16 17.725 1.854 0.516 0.868 1.000 0.733 CB 1.189 Z: 10 6.885 1.482 0.772 0.596 0.778 0.556 CB 1.025 Z: 15 25.800 1.921 0.927 0.856 1.000 0.643 CB 1.373 15 residues pruned to eliminate duplicates Z: 14 11.027 1.870 0.520 0.370 0.923 0.615 CB 1.341 15 residues pruned to eliminate duplicates Z: 16 32.919 2.046 0.895 0.891 1.000 0.733 CB 1.576 16 residues pruned to eliminate duplicates Z: 13 15.092 1.832 0.388 0.905 1.000 1.000 CB 1.219 11 residues pruned to eliminate duplicates Z: 13 14.910 1.794 0.469 0.919 1.000 0.833 CB 1.151 13 residues pruned to eliminate duplicates Z: 14 13.992 1.797 0.453 0.857 0.923 0.846 CB 1.186 Z: 10 4.011 1.671 0.687 0.229 0.667 0.333 CB 0.976 Z: 13 8.173 1.967 0.167 0.309 0.750 0.333 CB 1.693 13 residues pruned to eliminate duplicates Z: 12 10.756 1.672 0.733 0.857 0.727 0.455 CB 1.134 Z: 18 14.874 2.033 0.073 0.868 0.941 0.882 CB 1.285 18 residues pruned to eliminate duplicates Z: 15 19.251 1.760 0.682 0.903 1.000 0.857 CB 1.240 14 residues pruned to eliminate duplicates Z: 14 4.215 1.436 0.407 0.351 0.615 0.385 CB 1.105 Z: 7 3.159 1.630 0.559 0.234 0.667 0.333 N 1.037 7 residues pruned to eliminate duplicates Z: 12 13.834 1.863 0.525 0.773 0.909 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 6 4.183 1.478 1.336 0.281 0.800 0.400 N 0.868 Z: 7 7.333 1.762 0.650 0.570 0.833 0.833 CB 1.155 Z: 15 8.060 1.708 0.738 0.761 0.786 0.571 CB 0.733 16 residues pruned to eliminate duplicates Z: 20 8.771 1.785 0.478 0.455 0.632 0.421 CB 1.265 6 residues pruned to eliminate duplicates Z: 15 22.762 1.796 1.093 0.862 1.000 0.786 CB 1.189 14 residues pruned to eliminate duplicates Z: 15 22.736 1.874 0.830 0.886 0.929 0.714 CB 1.377 14 residues pruned to eliminate duplicates 6 1.516 1.576 0.067 0.292 0.600 0.400 CB 0.848 ? Z: 36 18.834 1.967 0.513 0.472 0.800 0.571 CB 1.376 36 residues pruned to eliminate duplicates Z: 9 3.927 1.437 0.090 0.552 0.750 0.625 N 1.123 Z: 9 3.308 1.522 0.473 0.356 0.750 0.250 CB 0.812 Z: 7 3.047 1.628 0.749 0.240 0.667 0.333 N 0.886 Z: 18 22.308 1.877 0.711 0.822 0.882 0.706 CB 1.445 18 residues pruned to eliminate duplicates Z: 8 13.122 1.817 0.521 0.868 1.000 0.714 CB 1.311 17 residues pruned to eliminate duplicates Z: 9 5.973 1.768 0.693 0.467 0.875 0.625 CB 0.834 Z: 8 14.763 1.807 0.645 0.851 1.000 0.714 CB 1.389 10 residues pruned to eliminate duplicates Z: 9 13.392 1.766 0.683 0.872 1.000 0.750 CB 1.161 Z: 7 6.863 1.766 0.408 0.445 0.833 0.333 O 1.431 Z: 14 12.930 1.768 0.679 0.859 0.923 0.538 CB 0.963 14 residues pruned to eliminate duplicates Z: 8 5.959 1.577 0.570 0.720 0.714 0.571 O 1.044 8 residues pruned to eliminate duplicates Z: 6 4.703 1.768 0.547 0.505 0.600 0.600 N 1.275 Z: 10 8.161 1.759 0.575 0.793 0.889 0.778 CB 0.854 9 residues pruned to eliminate duplicates Z: 16 4.938 1.910 0.304 0.180 0.533 0.333 CB 1.410 16 residues pruned to eliminate duplicates Z: 21 23.390 1.926 0.651 0.813 0.950 0.850 CB 1.319 21 residues pruned to eliminate duplicates Z: 15 10.626 1.601 0.348 0.889 0.929 0.786 CB 1.020 15 residues pruned to eliminate duplicates Z: 18 8.159 1.910 0.433 0.373 0.765 0.529 CB 1.083 12 residues pruned to eliminate duplicates Z: 11 14.586 1.646 0.618 0.864 1.000 0.600 CB 1.269 11 residues pruned to eliminate duplicates Z: 16 4.117 1.603 0.136 0.370 0.600 0.200 CB 1.118 Z: 15 29.854 1.872 1.079 0.933 1.000 0.929 CB 1.430 16 residues pruned to eliminate duplicates Z: 16 14.708 1.701 0.679 0.838 1.000 0.667 CB 0.993 14 residues pruned to eliminate duplicates Z: 7 5.276 1.582 0.427 0.531 0.833 0.667 O 1.110 Z: 10 3.150 1.575 0.078 0.350 0.667 0.444 CB 1.091 Z: 12 8.625 1.847 1.066 0.890 1.000 0.909 CB 0.490 Z: 6 5.200 1.668 0.008 0.745 1.000 1.000 N 1.111 Z: 7 4.617 1.847 0.155 0.868 1.000 1.000 CB 0.646 Z: 12 3.227 1.645 0.206 0.328 0.727 0.455 CB 0.815 Z: 7 2.836 1.790 0.862 0.884 0.833 0.833 CB 0.301 Z: 7 7.560 1.799 0.270 0.881 1.000 1.000 CB 0.978 Z: 9 3.827 1.526 0.451 0.217 0.875 0.375 CB 0.973 Z: 13 17.541 1.810 0.857 0.899 1.000 0.917 CB 1.077 15 residues pruned to eliminate duplicates Z: 15 11.826 1.618 0.594 0.736 0.857 0.786 CB 1.157 Z: 11 4.423 1.681 0.559 0.263 0.900 0.600 CB 0.777 Z: 16 14.938 1.823 0.380 0.887 1.000 0.933 CB 1.106 16 residues pruned to eliminate duplicates Z: 16 22.564 1.779 0.928 0.868 0.933 0.800 CB 1.330 15 residues pruned to eliminate duplicates Z: 9 3.968 1.410 0.483 0.401 0.875 0.375 CB 0.851 Z: 19 21.177 1.975 0.453 0.864 0.944 0.778 CB 1.350 19 residues pruned to eliminate duplicates Z: 14 14.512 1.752 0.478 0.807 0.923 0.615 CB 1.288 14 residues pruned to eliminate duplicates Z: 7 2.066 1.405 0.741 0.251 0.500 0.333 C 0.919 Z: 10 6.867 1.760 0.164 0.694 0.778 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 9 5.822 1.818 0.351 0.282 0.750 0.375 CB 1.428 Z: 8 11.729 1.739 0.925 0.814 0.857 0.714 CB 1.175 8 residues pruned to eliminate duplicates Z: 20 11.621 1.891 0.418 0.381 0.789 0.474 CB 1.430 20 residues pruned to eliminate duplicates 6 1.323 1.687 0.528 0.100 0.400 0.400 CB 0.956 ? Z: 12 12.978 1.708 0.558 0.795 0.909 0.636 CB 1.249 Z: 12 6.054 1.608 0.771 0.740 0.636 0.455 CB 0.812 Z: 12 13.803 1.707 0.554 0.857 1.000 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 12 8.986 1.532 0.298 0.795 1.000 0.636 CB 1.052 Z: 6 14.039 1.937 0.554 0.807 1.000 0.800 CB 1.596 16 residues pruned to eliminate duplicates Z: 6 5.538 1.744 0.347 0.454 0.800 0.600 O 1.382 6 residues pruned to eliminate duplicates 6 1.553 1.773 0.280 0.292 0.400 0.400 CB 0.967 ? Z: 6 4.210 1.667 0.596 0.477 0.800 0.600 CB 0.906 Z: 15 10.335 1.753 0.591 0.729 0.786 0.571 CB 1.026 14 residues pruned to eliminate duplicates Z: 14 26.019 1.805 1.315 0.908 1.000 0.538 CB 1.227 15 residues pruned to eliminate duplicates Z: 10 9.420 1.648 0.713 0.900 1.000 1.000 CB 0.794 6 residues pruned to eliminate duplicates Z: 8 4.393 1.734 0.585 0.628 0.857 0.571 CB 0.625 Z: 17 20.696 1.871 0.655 0.865 0.938 0.750 CB 1.305 16 residues pruned to eliminate duplicates Z: 6 2.634 1.714 0.467 0.656 0.800 0.800 CB 0.507 6 residues pruned to eliminate duplicates Z: 18 21.638 1.910 0.557 0.820 0.941 0.706 CB 1.420 18 residues pruned to eliminate duplicates Z: 8 2.657 1.523 0.040 0.512 0.857 0.429 CB 0.731 Z: 19 18.552 1.851 0.730 0.706 0.833 0.556 CB 1.360 17 residues pruned to eliminate duplicates Z: 7 6.679 1.562 0.550 0.740 0.833 0.500 O 1.090 7 residues pruned to eliminate duplicates Z: 12 4.785 1.677 0.560 0.427 0.818 0.455 CB 0.727 6 residues pruned to eliminate duplicates Z: 9 15.280 1.855 0.765 0.799 1.000 0.750 CB 1.270 9 residues pruned to eliminate duplicates Z: 15 8.177 1.779 0.238 0.456 0.786 0.571 CB 1.321 12 residues pruned to eliminate duplicates Z: 7 2.046 1.556 0.003 0.248 0.667 0.500 CB 1.073 6 1.332 1.517 0.160 0.289 0.400 0.400 CB 1.072 ? Z: 7 2.340 1.765 0.481 0.376 0.500 0.500 CB 0.834 Z: 7 3.960 1.527 0.160 0.262 1.000 0.500 N 1.198 Z: 7 3.866 1.694 0.499 0.820 0.833 0.833 CB 0.565 Z: 8 4.272 1.472 0.073 0.703 0.857 0.714 O 0.992 8 residues pruned to eliminate duplicates Z: 37 16.478 1.966 0.519 0.359 0.861 0.556 CB 1.243 18 residues pruned to eliminate duplicates Z: 9 5.902 1.546 0.312 0.515 1.000 0.750 CB 1.014 Z: 13 10.700 1.720 0.645 0.845 0.833 0.667 CB 0.974 14 residues pruned to eliminate duplicates Z: 16 15.400 1.731 0.755 0.832 0.867 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 15 9.903 1.601 0.347 0.748 0.786 0.429 CB 1.251 Z: 7 7.061 1.704 0.442 0.762 0.833 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 11 11.229 1.620 0.523 0.847 1.000 0.800 CB 1.068 12 residues pruned to eliminate duplicates Z: 29 11.102 1.846 0.614 0.319 0.714 0.393 CB 1.203 8 residues pruned to eliminate duplicates Z: 9 3.901 1.441 0.402 0.274 0.750 0.375 N 1.176 Z: 10 15.930 1.881 0.990 0.869 1.000 0.778 CB 1.036 10 residues pruned to eliminate duplicates Z: 14 7.144 1.804 0.604 0.402 0.769 0.308 CB 0.987 14 residues pruned to eliminate duplicates Z: 14 6.991 1.616 0.562 0.754 0.846 0.385 CB 0.724 11 residues pruned to eliminate duplicates Z: 9 9.934 1.693 0.223 0.863 1.000 0.875 CB 1.245 9 residues pruned to eliminate duplicates Z: 8 8.203 1.620 0.784 0.740 0.714 0.571 CB 1.211 8 residues pruned to eliminate duplicates Z: 6 5.970 1.346 0.529 0.629 1.000 0.800 O 1.149 Z: 21 16.583 1.905 0.819 0.582 0.800 0.650 CB 1.236 14 residues pruned to eliminate duplicates Z: 7 2.894 1.511 0.305 0.448 0.833 0.333 CB 0.759 Z: 6 15.279 1.976 0.500 0.862 1.000 1.000 CB 1.692 6 residues pruned to eliminate duplicates Z: 7 6.184 1.838 0.320 0.560 0.667 0.667 CB 1.471 7 residues pruned to eliminate duplicates Z: 6 7.223 1.894 0.541 0.425 1.000 0.800 CB 1.196 6 residues pruned to eliminate duplicates Z: 9 7.362 1.561 0.608 0.579 0.875 0.500 CB 1.099 Z: 21 25.512 2.036 0.448 0.850 1.000 0.800 CB 1.433 21 residues pruned to eliminate duplicates Z: 7 6.755 1.723 -0.041 0.739 1.000 0.833 CB 1.347 Z: 11 10.037 1.591 0.761 0.837 1.000 0.600 CB 0.847 11 residues pruned to eliminate duplicates Z: 12 12.064 1.840 0.423 0.895 1.000 0.818 CB 0.995 12 residues pruned to eliminate duplicates Z: 6 3.160 1.434 0.117 0.630 0.800 0.600 CB 0.976 Z: 10 14.483 1.785 0.551 0.865 1.000 0.778 O 1.277 10 residues pruned to eliminate duplicates Z: 9 8.343 1.849 0.490 0.857 1.000 1.000 CB 0.789 9 residues pruned to eliminate duplicates Z: 8 11.645 1.782 0.655 0.827 1.000 0.714 CB 1.124 Z: 10 11.530 1.637 0.500 0.885 1.000 0.889 CB 1.130 Z: 14 15.078 1.740 0.496 0.879 1.000 1.000 CB 1.166 14 residues pruned to eliminate duplicates Z: 25 26.877 1.944 0.780 0.826 0.833 0.750 CB 1.435 25 residues pruned to eliminate duplicates Z: 8 6.085 1.918 0.480 0.714 0.857 0.714 CB 0.779 8 residues pruned to eliminate duplicates Z: 6 7.278 1.678 0.385 0.834 1.000 0.600 O 1.050 5 residues pruned to eliminate duplicates Z: 13 10.385 1.567 0.451 0.792 0.917 0.583 CB 1.113 13 residues pruned to eliminate duplicates Z: 8 6.657 1.534 0.189 0.556 1.000 0.571 CB 1.306 Z: 11 10.286 1.682 0.539 0.706 0.800 0.700 O 1.303 11 residues pruned to eliminate duplicates Z: 13 9.991 1.655 0.195 0.839 1.000 0.917 CB 1.089 10 residues pruned to eliminate duplicates Z: 16 9.837 1.819 0.365 0.350 0.867 0.667 CB 1.388 Z: 7 4.638 1.427 0.717 0.335 0.833 0.500 CB 1.111 Z: 8 3.778 1.446 0.796 0.212 0.714 0.429 CB 1.082 Z: 19 10.845 1.708 0.715 0.383 0.833 0.333 CB 1.186 19 residues pruned to eliminate duplicates Z: 8 2.193 1.441 0.632 0.207 0.429 0.429 N 1.163 Z: 14 7.637 1.882 0.566 0.454 0.615 0.308 CB 1.225 14 residues pruned to eliminate duplicates Z: 10 7.354 1.794 0.736 0.575 0.889 0.444 CB 0.824 12 residues pruned to eliminate duplicates Z: 17 5.428 1.569 0.124 0.408 0.812 0.438 CB 1.043 Z: 8 8.212 1.557 0.511 0.877 0.857 0.857 CB 1.118 Z: 12 5.877 1.747 0.502 0.645 0.545 0.455 CB 1.081 11 residues pruned to eliminate duplicates Z: 6 3.788 1.454 0.124 0.811 1.000 0.800 CB 0.791 Z: 6 2.843 1.668 0.151 0.434 0.800 0.600 CB 0.887 Z: 10 9.570 1.692 0.471 0.779 0.889 0.556 CB 1.128 10 residues pruned to eliminate duplicates Z: 8 7.868 1.802 -0.013 0.905 1.000 1.000 CB 1.190 8 residues pruned to eliminate duplicates Z: 9 6.018 1.614 -0.004 0.729 1.000 0.875 N 1.077 6 residues pruned to eliminate duplicates Z: 7 2.520 1.335 0.538 0.409 0.667 0.500 N 0.827 Z: 13 19.928 1.733 0.873 0.899 1.000 0.833 CB 1.267 13 residues pruned to eliminate duplicates Z: 15 26.950 2.048 0.773 0.891 1.000 0.786 CB 1.427 15 residues pruned to eliminate duplicates Z: 7 5.463 1.645 0.759 0.381 0.667 0.333 O 1.312 6 residues pruned to eliminate duplicates Z: 16 5.834 1.499 0.110 0.355 0.867 0.333 N 1.223 7 residues pruned to eliminate duplicates Z: 9 5.149 1.603 0.276 0.558 0.875 0.500 CB 0.961 Z: 7 3.103 1.309 0.408 0.610 0.833 0.667 N 0.743 Z: 7 3.428 1.524 0.584 0.439 0.833 0.500 N 0.741 Z: 6 2.796 1.426 0.323 0.481 0.600 0.600 N 1.126 Z: 9 4.525 1.740 0.152 0.811 0.875 0.500 CB 0.696 9 residues pruned to eliminate duplicates Z: 19 7.459 1.820 0.486 0.283 0.667 0.333 CB 1.245 19 residues pruned to eliminate duplicates Z: 28 11.956 1.843 0.348 0.353 0.815 0.444 CB 1.333 28 residues pruned to eliminate duplicates Z: 10 9.460 1.802 0.877 0.908 0.889 0.889 CB 0.745 10 residues pruned to eliminate duplicates Z: 16 8.012 1.918 0.487 0.487 0.733 0.400 CB 1.002 16 residues pruned to eliminate duplicates Z: 7 4.146 1.613 0.214 0.376 0.833 0.500 N 1.184 Z: 6 2.256 1.671 0.234 0.296 0.600 0.400 CB 1.024 Z: 8 8.876 1.816 0.291 0.819 1.000 0.857 CB 1.085 8 residues pruned to eliminate duplicates Z: 16 15.623 1.811 0.375 0.806 1.000 0.667 CB 1.241 16 residues pruned to eliminate duplicates Z: 13 7.395 1.591 0.354 0.730 1.000 0.667 CB 0.805 13 residues pruned to eliminate duplicates Z: 13 16.396 1.798 0.544 0.894 1.000 0.917 CB 1.224 13 residues pruned to eliminate duplicates Z: 13 3.598 1.468 0.230 0.296 0.833 0.333 CB 0.868 Z: 11 4.750 1.594 0.616 0.394 0.900 0.700 CB 0.725 Z: 15 11.474 1.875 0.522 0.473 0.786 0.500 CB 1.407 12 residues pruned to eliminate duplicates Z: 9 7.408 1.431 0.432 0.802 0.875 0.500 CB 1.122 Z: 32 29.466 1.969 0.869 0.651 0.839 0.484 CB 1.490 32 residues pruned to eliminate duplicates Z: 12 7.921 1.750 0.642 0.344 0.727 0.545 CB 1.354 10 residues pruned to eliminate duplicates Z: 10 3.675 1.686 0.178 0.214 0.667 0.444 CB 1.295 Z: 9 9.189 1.577 0.623 0.813 0.875 0.625 CB 1.105 8 residues pruned to eliminate duplicates Z: 15 9.616 1.596 0.349 0.762 0.857 0.571 CB 1.103 15 residues pruned to eliminate duplicates Z: 9 3.066 1.505 0.409 0.184 0.625 0.250 CB 1.196 Z: 6 3.637 1.604 0.497 0.665 0.800 0.600 CB 0.727 Z: 12 10.168 1.833 1.023 0.460 0.636 0.545 N 1.353 12 residues pruned to eliminate duplicates Z: 21 11.227 1.792 0.478 0.446 0.800 0.450 CB 1.252 16 residues pruned to eliminate duplicates Z: 12 3.555 1.451 0.309 0.348 0.636 0.455 N 1.047 8 residues pruned to eliminate duplicates Z: 8 9.339 1.800 0.373 0.820 1.000 0.857 CB 1.082 8 residues pruned to eliminate duplicates Z: 21 14.775 1.857 0.566 0.654 0.850 0.550 CB 1.158 21 residues pruned to eliminate duplicates Z: 12 3.629 1.673 0.337 0.220 0.636 0.455 CB 1.068 10 residues pruned to eliminate duplicates Z: 8 4.066 1.715 0.535 0.347 0.571 0.429 CB 1.206 Z: 10 12.028 1.764 0.624 0.882 1.000 0.889 CB 1.013 10 residues pruned to eliminate duplicates Z: 9 15.966 1.795 0.674 0.869 1.000 0.500 CB 1.372 9 residues pruned to eliminate duplicates Z: 9 10.791 1.799 0.356 0.865 1.000 0.875 CB 1.146 9 residues pruned to eliminate duplicates Z: 8 14.209 1.921 0.392 0.896 1.000 0.714 CB 1.440 8 residues pruned to eliminate duplicates Z: 6 5.794 1.877 0.696 0.647 0.800 0.400 CB 0.886 Z: 48 13.509 1.714 0.434 0.380 0.787 0.362 CB 1.158 45 residues pruned to eliminate duplicates Z: 13 6.651 1.865 0.445 0.595 0.833 0.500 CB 0.781 10 residues pruned to eliminate duplicates Z: 6 2.046 1.341 0.068 0.321 0.800 0.200 N 0.973 Z: 32 21.735 1.842 0.648 0.687 0.903 0.774 CB 1.200 32 residues pruned to eliminate duplicates Z: 9 4.902 1.494 0.214 0.427 1.000 0.875 O 1.031 Z: 12 5.841 1.466 0.554 0.381 0.818 0.455 CB 1.072 Z: 8 2.786 1.382 0.772 0.503 0.714 0.429 CB 0.600 8 residues pruned to eliminate duplicates Z: 8 6.596 1.662 0.187 0.800 0.857 0.857 CB 1.134 8 residues pruned to eliminate duplicates Z: 8 2.668 1.728 0.149 0.824 1.000 0.571 CB 0.384 Z: 11 4.572 1.749 0.425 0.239 0.600 0.400 CB 1.309 11 residues pruned to eliminate duplicates Z: 10 6.579 1.551 0.152 0.725 0.889 0.556 CB 1.127 Z: 6 6.273 1.699 0.500 0.488 0.800 0.600 CB 1.392 Z: 16 5.575 1.847 0.142 0.343 0.800 0.733 CB 1.011 16 residues pruned to eliminate duplicates Z: 8 5.432 1.752 0.317 0.313 1.000 0.714 CB 1.095 Z: 14 16.800 1.677 0.749 0.793 0.923 0.769 O 1.331 12 residues pruned to eliminate duplicates Z: 6 3.257 1.509 0.460 0.874 1.000 1.000 CB 0.481 Z: 13 9.454 1.595 0.436 0.805 0.833 0.667 CB 1.095 Z: 14 5.180 1.690 0.317 0.423 0.692 0.231 CB 1.011 Z: 14 10.876 1.633 0.351 0.867 0.923 0.846 CB 1.084 14 residues pruned to eliminate duplicates Z: 11 4.439 1.808 0.427 0.368 0.700 0.300 CB 0.896 Z: 14 15.562 1.878 0.359 0.887 1.000 0.846 CB 1.220 14 residues pruned to eliminate duplicates Z: 8 8.040 1.736 0.672 0.791 0.714 0.571 CB 1.135 8 residues pruned to eliminate duplicates Z: 16 16.502 1.849 0.662 0.885 1.000 0.733 CB 1.001 16 residues pruned to eliminate duplicates Z: 19 8.830 1.643 0.484 0.565 0.722 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 22 19.555 1.806 0.622 0.612 0.952 0.524 CB 1.376 13 residues pruned to eliminate duplicates Z: 22 9.288 1.772 0.659 0.399 0.667 0.476 CB 1.150 41 residues pruned to eliminate duplicates Z: 17 8.209 1.715 0.469 0.310 0.688 0.438 CB 1.463 17 residues pruned to eliminate duplicates Z: 8 2.554 1.725 0.135 0.315 0.429 0.429 N 1.412 8 residues pruned to eliminate duplicates Z: 9 5.407 1.589 0.318 0.499 0.875 0.375 CB 1.045 Z: 13 10.484 1.844 0.576 0.380 0.750 0.583 N 1.579 13 residues pruned to eliminate duplicates Z: 13 4.637 1.387 0.672 0.272 0.667 0.417 CB 1.121 Z: 16 11.210 1.540 0.412 0.803 0.867 0.600 CB 1.180 15 residues pruned to eliminate duplicates Z: 12 11.907 1.643 0.672 0.897 0.909 0.818 O 1.028 12 residues pruned to eliminate duplicates Z: 14 11.102 1.687 0.570 0.894 0.923 0.615 CB 0.903 13 residues pruned to eliminate duplicates Z: 14 10.465 1.658 0.401 0.795 0.846 0.615 O 1.139 13 residues pruned to eliminate duplicates Z: 9 3.519 1.593 0.373 0.277 1.000 0.625 CB 0.732 Z: 29 10.270 1.650 0.413 0.417 0.893 0.643 CB 1.016 21 residues pruned to eliminate duplicates 7 1.990 1.680 0.249 0.241 0.500 0.500 N 1.045 ? Z: 13 8.815 1.701 0.387 0.731 0.833 0.583 CB 1.052 13 residues pruned to eliminate duplicates Z: 34 12.292 1.876 0.505 0.323 0.727 0.424 CB 1.266 34 residues pruned to eliminate duplicates Z: 12 4.187 1.607 0.471 0.694 0.636 0.455 CB 0.703 12 residues pruned to eliminate duplicates Z: 7 4.364 1.410 0.838 0.550 0.833 0.667 CB 0.785 Z: 47 15.268 1.883 0.478 0.338 0.761 0.565 CB 1.270 47 residues pruned to eliminate duplicates Z: 7 3.401 1.610 0.290 0.363 0.667 0.500 O 1.162 8 residues pruned to eliminate duplicates Z: 15 22.107 1.834 0.789 0.887 0.929 0.929 CB 1.398 15 residues pruned to eliminate duplicates Z: 8 4.935 1.621 0.448 0.554 0.714 0.571 CB 1.056 8 residues pruned to eliminate duplicates Z: 6 2.890 1.393 0.504 0.297 0.800 0.800 N 0.967 Z: 27 13.930 1.831 0.319 0.498 0.808 0.500 CB 1.403 28 residues pruned to eliminate duplicates 6 1.680 1.614 0.472 0.738 0.800 0.400 CB 0.319 ? Z: 13 5.172 1.569 0.323 0.492 0.750 0.417 CB 0.967 Z: 12 16.713 1.690 0.652 0.763 1.000 0.545 CB 1.429 12 residues pruned to eliminate duplicates Z: 16 11.262 1.763 0.677 0.653 0.800 0.467 CB 1.066 16 residues pruned to eliminate duplicates Z: 7 3.401 1.255 0.400 0.414 0.833 0.333 N 1.037 Z: 12 9.522 1.790 0.611 0.823 1.000 0.636 CB 0.752 12 residues pruned to eliminate duplicates Z: 8 8.909 1.485 0.680 0.839 1.000 0.857 CB 1.008 Z: 9 5.502 1.572 0.609 0.469 0.875 0.500 N 0.907 6 residues pruned to eliminate duplicates Z: 6 2.670 1.567 0.090 0.560 0.600 0.600 CB 1.100 6 residues pruned to eliminate duplicates Z: 6 3.296 1.604 0.511 0.133 0.800 0.000 N 1.201 Z: 10 8.736 1.902 0.501 0.805 0.667 0.222 CB 1.172 10 residues pruned to eliminate duplicates Z: 28 16.489 1.809 0.535 0.547 0.815 0.519 CB 1.340 23 residues pruned to eliminate duplicates Z: 9 4.318 1.527 0.161 0.408 0.750 0.375 O 1.265 Z: 6 4.119 1.419 0.032 0.780 1.000 0.400 O 0.982 Z: 10 6.488 1.836 0.475 0.676 0.889 0.778 CB 0.764 10 residues pruned to eliminate duplicates Z: 24 14.667 1.681 0.576 0.714 0.826 0.478 CB 1.152 24 residues pruned to eliminate duplicates Z: 11 12.185 1.766 0.985 0.816 0.700 0.600 CB 1.193 11 residues pruned to eliminate duplicates Z: 6 3.385 1.452 0.165 0.474 1.000 0.400 N 0.918 Z: 10 11.200 1.781 0.881 0.700 0.667 0.444 O 1.394 10 residues pruned to eliminate duplicates Z: 7 4.042 1.397 0.516 0.712 0.833 0.667 CB 0.771 Z: 7 5.522 1.794 0.243 0.849 1.000 0.667 CB 0.749 6 residues pruned to eliminate duplicates Z: 9 6.374 1.776 0.709 0.554 0.875 0.875 CB 0.805 Z: 9 12.605 1.672 0.701 0.794 1.000 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 12 6.570 1.717 0.668 0.388 0.636 0.455 CB 1.224 12 residues pruned to eliminate duplicates Z: 28 10.388 1.727 0.529 0.447 0.741 0.519 CB 1.079 28 residues pruned to eliminate duplicates Z: 6 6.497 1.591 0.942 0.729 0.600 0.600 CA 1.276 6 residues pruned to eliminate duplicates Z: 21 13.401 1.789 0.469 0.603 0.850 0.650 CB 1.217 21 residues pruned to eliminate duplicates Z: 10 3.939 1.576 1.011 0.316 0.556 0.333 CB 0.914 Z: 9 4.437 1.874 0.600 0.550 0.750 0.500 CB 0.664 8 residues pruned to eliminate duplicates Z: 12 11.772 1.705 0.684 0.662 0.818 0.455 CB 1.301 12 residues pruned to eliminate duplicates Z: 19 8.868 1.874 0.299 0.295 0.889 0.556 CB 1.215 19 residues pruned to eliminate duplicates Z: 8 7.443 1.619 0.438 0.741 0.857 0.714 CB 1.136 8 residues pruned to eliminate duplicates Z: 16 13.429 1.555 0.910 0.829 0.867 0.600 CB 1.014 16 residues pruned to eliminate duplicates Z: 7 2.530 1.249 0.595 0.616 1.000 0.500 CB 0.464 Z: 11 5.173 1.781 0.278 0.330 0.800 0.400 CB 1.082 Z: 6 5.295 1.681 0.781 0.746 0.800 0.600 CB 0.793 Z: 7 3.778 1.930 -0.018 0.443 0.667 0.333 CB 1.294 Z: 11 7.781 1.561 0.583 0.640 0.900 0.400 CB 0.971 Z: 13 9.208 1.735 0.516 0.774 0.833 0.583 CB 0.952 Z: 10 4.780 1.685 0.321 0.437 0.778 0.444 CB 0.982 8 residues pruned to eliminate duplicates Z: 6 2.830 1.808 -0.123 0.462 0.800 0.600 CB 1.036 Z: 9 7.004 1.622 0.423 0.551 0.750 0.500 CB 1.362 6 residues pruned to eliminate duplicates Z: 7 3.519 1.578 0.300 0.402 0.667 0.500 N 1.165 Z: 14 6.059 1.612 0.466 0.418 0.769 0.538 CB 1.007 Z: 40 12.754 1.855 0.346 0.348 0.846 0.615 CB 1.139 40 residues pruned to eliminate duplicates Z: 8 7.525 1.641 0.658 0.801 0.857 0.857 CB 0.937 8 residues pruned to eliminate duplicates Z: 7 4.168 1.414 0.287 0.375 1.000 0.500 CB 1.068 Z: 15 16.519 1.814 0.470 0.812 0.929 0.786 CB 1.359 15 residues pruned to eliminate duplicates Z: 12 8.512 1.493 0.701 0.915 1.000 0.455 CB 0.714 Z: 6 3.508 1.432 0.500 0.629 0.800 0.600 O 0.809 Z: 11 17.121 2.008 0.568 0.616 1.000 0.700 CB 1.541 11 residues pruned to eliminate duplicates Z: 9 5.392 1.425 0.401 0.789 0.875 0.375 CB 0.846 9 residues pruned to eliminate duplicates Z: 6 2.151 1.282 0.175 0.294 0.800 0.400 N 1.006 Z: 10 5.740 1.554 0.643 0.363 0.778 0.333 O 1.116 Z: 25 10.081 1.712 0.443 0.470 0.875 0.458 CB 0.982 25 residues pruned to eliminate duplicates Z: 12 6.315 1.610 0.607 0.737 0.636 0.455 CB 0.935 16 residues pruned to eliminate duplicates Z: 7 3.354 1.508 0.198 0.267 0.833 0.333 CB 1.186 Z: 14 12.039 1.673 0.244 0.897 1.000 1.000 CB 1.149 14 residues pruned to eliminate duplicates Z: 13 13.636 1.782 0.376 0.861 1.000 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 6 2.154 1.338 0.542 0.244 0.600 0.200 O 1.046 Z: 9 5.785 1.448 0.794 0.515 0.750 0.250 N 1.035 Z: 10 10.219 1.556 0.529 0.876 1.000 0.889 CB 1.040 Z: 13 9.134 1.474 0.547 0.769 0.833 0.583 CB 1.093 11 residues pruned to eliminate duplicates Z: 8 2.681 1.413 0.197 0.468 0.571 0.571 CB 1.083 Z: 6 3.073 1.429 0.495 0.712 0.800 0.600 CB 0.664 Z: 7 3.698 1.587 0.359 0.561 0.833 0.500 CB 0.792 Z: 20 30.824 1.929 0.934 0.905 0.947 0.789 CB 1.424 20 residues pruned to eliminate duplicates Z: 8 4.344 1.492 0.122 0.878 0.857 0.857 CB 0.830 Z: 9 9.309 1.666 0.413 0.863 1.000 0.875 CB 1.026 9 residues pruned to eliminate duplicates 6 1.674 1.568 -0.034 0.312 0.600 0.400 CB 1.015 ? Z: 9 8.753 1.697 0.374 0.800 1.000 0.750 CB 1.021 9 residues pruned to eliminate duplicates Z: 16 18.714 1.870 0.634 0.832 0.933 0.733 CB 1.272 16 residues pruned to eliminate duplicates Z: 10 11.441 1.656 0.315 0.859 1.000 1.000 O 1.289 10 residues pruned to eliminate duplicates Z: 17 7.479 1.694 0.664 0.323 0.625 0.250 N 1.290 Z: 8 6.793 1.661 0.742 0.822 1.000 0.857 CB 0.671 8 residues pruned to eliminate duplicates Z: 9 2.331 1.458 0.299 0.528 0.500 0.375 CB 0.847 Z: 6 6.919 1.798 0.560 0.873 1.000 1.000 CB 0.803 Z: 10 8.121 1.561 0.619 0.913 1.000 1.000 O 0.758 10 residues pruned to eliminate duplicates Z: 10 9.756 1.772 0.594 0.898 0.889 0.778 CB 0.926 22 residues pruned to eliminate duplicates Z: 10 2.682 1.350 0.411 0.214 0.778 0.444 CB 0.846 Z: 7 3.072 1.459 0.258 0.382 0.833 0.500 CB 0.930 Z: 8 4.502 1.390 0.651 0.767 1.000 0.571 CB 0.585 Z: 6 2.043 1.543 0.209 0.134 0.800 0.600 CB 0.966 Z: 11 11.108 1.566 0.263 0.916 1.000 1.000 CB 1.254 10 residues pruned to eliminate duplicates Z: 8 6.688 1.974 0.257 0.836 1.000 0.857 CB 0.763 Z: 16 7.054 1.538 0.538 0.458 0.867 0.467 CB 0.927 15 residues pruned to eliminate duplicates Z: 21 8.847 1.748 0.250 0.425 0.900 0.550 CB 1.088 21 residues pruned to eliminate duplicates Z: 8 5.755 1.763 0.313 0.451 0.857 0.429 O 1.153 Z: 8 4.519 1.407 0.615 0.390 0.714 0.429 CB 1.183 Z: 13 11.194 1.479 0.730 0.828 0.917 0.833 CB 1.037 13 residues pruned to eliminate duplicates Z: 6 4.912 1.677 0.612 0.801 0.800 0.400 CB 0.781 6 residues pruned to eliminate duplicates Z: 6 2.805 1.451 0.541 0.256 0.800 0.400 CB 0.928 Z: 6 2.053 1.563 -0.073 0.480 0.600 0.400 CB 1.079 6 residues pruned to eliminate duplicates Z: 6 3.963 1.421 0.231 0.463 1.000 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 9 7.168 1.425 0.464 0.791 0.875 0.625 O 1.075 Z: 14 9.026 1.698 0.662 0.518 0.769 0.538 CB 1.132 13 residues pruned to eliminate duplicates Z: 7 6.728 1.617 0.663 0.414 0.833 0.333 O 1.342 7 residues pruned to eliminate duplicates Z: 12 5.073 1.595 0.581 0.287 0.636 0.455 N 1.211 11 residues pruned to eliminate duplicates Z: 7 2.197 1.657 0.476 0.333 0.500 0.500 CB 0.880 Z: 12 6.553 1.631 0.749 0.419 0.636 0.182 N 1.185 16 residues pruned to eliminate duplicates Z: 8 13.735 1.625 0.804 0.838 1.000 0.714 CB 1.324 6 residues pruned to eliminate duplicates 6 1.941 1.520 0.402 0.466 0.600 0.600 CB 0.702 ? Z: 12 8.523 1.453 0.542 0.867 0.818 0.727 CB 1.026 12 residues pruned to eliminate duplicates Z: 23 18.957 1.873 0.876 0.630 0.773 0.636 CB 1.318 28 residues pruned to eliminate duplicates Z: 13 13.136 2.027 0.385 0.501 0.917 0.500 CB 1.473 13 residues pruned to eliminate duplicates Z: 33 19.705 1.892 0.584 0.647 0.781 0.531 CB 1.297 33 residues pruned to eliminate duplicates Z: 6 3.649 1.578 0.824 0.808 1.000 0.400 CB 0.433 Z: 15 5.264 1.741 0.232 0.333 0.786 0.286 CB 1.003 15 residues pruned to eliminate duplicates Z: 6 2.228 1.482 0.379 0.725 0.600 0.600 CB 0.663 Z: 28 19.067 1.805 0.734 0.710 0.741 0.407 CB 1.308 28 residues pruned to eliminate duplicates Z: 11 8.838 1.491 0.681 0.804 0.800 0.600 CB 1.069 10 residues pruned to eliminate duplicates Z: 8 4.685 1.526 0.268 0.764 1.000 0.429 CB 0.724 Z: 8 4.860 1.392 0.983 0.383 0.857 0.571 CB 0.879 6 1.326 1.259 -0.142 0.175 0.800 0.200 CB 1.017 ? Z: 6 8.156 2.002 0.900 0.276 1.000 0.400 CB 1.236 Z: 6 8.857 1.449 0.670 0.819 1.000 0.800 N 1.241 Z: 10 2.717 1.474 0.030 0.232 0.778 0.444 CB 1.048 Z: 25 11.217 1.642 0.719 0.461 0.792 0.417 CB 1.066 25 residues pruned to eliminate duplicates Z: 8 4.715 1.297 0.170 0.829 1.000 0.571 CB 0.883 Z: 8 6.074 1.457 0.261 0.859 0.857 0.571 CB 1.073 8 residues pruned to eliminate duplicates 6 1.595 1.350 0.853 0.582 0.400 0.400 CB 0.659 ? Z: 12 10.339 1.708 0.899 0.836 0.727 0.364 CB 0.989 12 residues pruned to eliminate duplicates Z: 16 23.383 1.844 1.003 0.861 1.000 0.733 CB 1.201 16 residues pruned to eliminate duplicates Z: 10 7.820 1.575 0.455 0.826 1.000 0.778 CB 0.858 10 residues pruned to eliminate duplicates Z: 6 5.107 1.444 0.867 0.469 0.800 0.400 O 1.093 6 residues pruned to eliminate duplicates Z: 13 6.739 1.839 0.355 0.350 0.833 0.417 CB 1.103 Z: 6 4.820 1.573 0.694 0.824 1.000 0.800 CB 0.611 Z: 14 6.138 1.801 0.607 0.209 0.692 0.231 CB 1.199 6 residues pruned to eliminate duplicates Z: 11 6.938 1.810 0.206 0.402 0.900 0.400 CB 1.238 9 residues pruned to eliminate duplicates Z: 6 2.874 1.276 0.574 0.766 0.800 0.400 CB 0.632 Z: 6 2.755 1.459 -0.123 0.283 1.000 0.400 O 1.230 Z: 9 4.912 1.599 0.202 0.870 0.875 0.750 CB 0.754 4 residues pruned to eliminate duplicates Z: 11 7.576 1.492 0.340 0.818 0.900 0.700 O 1.010 11 residues pruned to eliminate duplicates Z: 14 4.353 1.626 0.136 0.265 0.769 0.385 CB 1.111 6 1.557 1.397 0.561 0.374 0.800 0.600 CB 0.456 ? Z: 6 2.652 1.818 0.287 0.816 1.000 0.800 CB 0.385 Z: 8 6.667 1.699 0.137 0.605 1.000 0.571 O 1.180 8 residues pruned to eliminate duplicates 6 1.025 1.216 0.175 0.724 0.800 0.600 CB 0.328 ? Z: 11 7.781 1.508 0.635 0.798 0.800 0.500 CB 0.961 11 residues pruned to eliminate duplicates Z: 10 2.418 1.531 0.171 0.235 0.556 0.222 CB 1.101 Z: 13 8.903 1.353 0.623 0.901 1.000 0.833 CB 0.836 5 residues pruned to eliminate duplicates Z: 7 10.143 1.863 0.241 0.868 1.000 1.000 CB 1.309 8 residues pruned to eliminate duplicates Z: 17 13.495 1.698 0.759 0.666 1.000 0.500 CB 0.969 18 residues pruned to eliminate duplicates Z: 14 8.180 1.756 0.425 0.584 0.923 0.462 CB 0.906 14 residues pruned to eliminate duplicates Z: 12 7.735 1.680 0.464 0.500 0.818 0.636 CB 1.159 15 residues pruned to eliminate duplicates Z: 9 3.442 1.539 0.802 0.114 0.625 0.125 CB 1.143 Z: 7 2.705 1.206 0.588 0.320 0.833 0.333 CB 0.844 Z: 6 4.847 1.387 0.385 0.469 1.000 0.800 N 1.165 Z: 7 2.636 1.264 1.045 0.411 0.833 0.333 N 0.549 Z: 9 4.305 1.709 0.435 0.330 0.875 0.625 CB 0.854 9 residues pruned to eliminate duplicates Z: 15 4.598 1.522 0.667 0.250 0.714 0.286 CB 0.905 Using tripeptides from previous cycle as seeds Z: 8 3.518 1.526 0.298 0.587 0.714 0.571 CB 0.865 8 residues pruned to eliminate duplicates Z: 9 12.655 1.737 0.524 0.785 0.875 0.500 O 1.504 9 residues pruned to eliminate duplicates Z: 8 7.304 1.771 0.585 0.663 0.571 0.571 N 1.480 8 residues pruned to eliminate duplicates Z: 10 6.827 1.566 0.648 0.451 0.778 0.444 N 1.192 10 residues pruned to eliminate duplicates Z: 12 15.219 1.741 0.534 0.763 0.909 0.727 CB 1.497 12 residues pruned to eliminate duplicates Z: 14 13.283 1.608 0.541 0.786 0.923 0.846 CB 1.252 14 residues pruned to eliminate duplicates Z: 14 13.180 1.673 0.569 0.681 0.923 0.846 CB 1.277 14 residues pruned to eliminate duplicates Z: 11 8.384 1.634 0.390 0.770 0.700 0.400 CB 1.313 11 residues pruned to eliminate duplicates Z: 13 11.713 1.694 0.422 0.641 0.833 0.583 N 1.476 13 residues pruned to eliminate duplicates Z: 10 10.064 1.603 0.807 0.717 0.778 0.222 CB 1.223 10 residues pruned to eliminate duplicates Z: 9 7.925 1.705 0.746 0.586 0.875 0.250 O 0.991 9 residues pruned to eliminate duplicates Z: 17 11.053 1.774 0.409 0.523 0.875 0.500 CB 1.236 23 residues pruned to eliminate duplicates Z: 18 9.223 1.716 0.445 0.442 0.824 0.294 CB 1.163 18 residues pruned to eliminate duplicates Z: 6 2.774 1.862 0.057 0.480 0.800 0.600 CB 0.804 6 1.876 1.379 0.102 0.287 1.000 0.200 CB 0.701 ? Z: 7 2.407 1.391 0.175 0.396 0.667 0.500 N 1.006 Z: 8 6.155 1.705 0.463 0.862 1.000 0.714 CB 0.684 8 residues pruned to eliminate duplicates Z: 9 8.281 1.682 0.595 0.638 0.875 0.750 CB 1.095 23 residues pruned to eliminate duplicates Z: 9 8.089 1.721 0.383 0.766 1.000 0.750 CB 0.949 6 residues pruned to eliminate duplicates Z: 8 10.208 1.684 0.628 0.875 1.000 1.000 CB 1.024 8 residues pruned to eliminate duplicates Z: 8 9.175 1.732 0.510 0.709 1.000 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 7 5.170 1.729 -0.090 0.661 0.833 0.500 CB 1.387 7 residues pruned to eliminate duplicates Z: 8 5.782 1.667 0.148 0.624 0.714 0.429 O 1.423 8 residues pruned to eliminate duplicates Z: 12 5.176 1.446 0.242 0.461 0.727 0.364 N 1.244 12 residues pruned to eliminate duplicates Z: 8 6.298 1.703 0.167 0.510 0.857 0.429 N 1.384 8 residues pruned to eliminate duplicates Z: 9 4.787 1.507 0.133 0.551 0.750 0.375 CB 1.257 9 residues pruned to eliminate duplicates Z: 6 2.401 1.450 0.274 0.100 0.800 0.000 CB 1.211 Z: 11 12.036 1.801 0.490 0.618 0.900 0.400 CB 1.409 11 residues pruned to eliminate duplicates Z: 10 8.884 1.691 1.001 0.546 0.667 0.444 CB 1.256 10 residues pruned to eliminate duplicates Z: 17 8.098 1.812 0.488 0.370 0.688 0.438 CB 1.256 17 residues pruned to eliminate duplicates Z: 15 7.662 1.818 0.504 0.337 0.643 0.500 CB 1.392 15 residues pruned to eliminate duplicates Z: 7 5.772 1.861 0.764 0.575 0.500 0.500 CB 1.335 7 residues pruned to eliminate duplicates Z: 14 7.781 1.745 0.671 0.359 0.692 0.385 CB 1.245 14 residues pruned to eliminate duplicates Z: 14 9.755 1.790 0.702 0.399 0.769 0.462 CB 1.284 14 residues pruned to eliminate duplicates Z: 14 8.894 1.753 0.688 0.339 0.692 0.385 N 1.435 14 residues pruned to eliminate duplicates Z: 32 9.079 1.788 0.343 0.324 0.710 0.387 CB 1.160 13 residues pruned to eliminate duplicates Z: 6 3.317 1.469 0.023 0.368 1.000 0.600 O 1.138 6 residues pruned to eliminate duplicates Z: 7 7.036 2.007 0.145 0.417 1.000 0.500 CB 1.364 9 residues pruned to eliminate duplicates Z: 10 13.115 1.915 0.447 0.682 1.000 0.778 CB 1.335 32 residues pruned to eliminate duplicates Z: 8 11.757 1.890 0.432 0.892 1.000 0.857 CB 1.180 8 residues pruned to eliminate duplicates Z: 24 10.081 1.886 0.469 0.275 0.870 0.478 CB 1.126 8 residues pruned to eliminate duplicates Z: 9 14.836 1.845 0.473 0.840 1.000 0.625 CB 1.441 35 residues pruned to eliminate duplicates Z: 24 9.702 1.761 0.667 0.316 0.696 0.435 CB 1.214 24 residues pruned to eliminate duplicates Z: 24 10.842 1.945 0.455 0.339 0.696 0.391 CB 1.369 39 residues pruned to eliminate duplicates Z: 27 12.539 1.890 0.391 0.405 0.846 0.462 CB 1.222 27 residues pruned to eliminate duplicates Z: 16 8.068 1.936 0.279 0.327 0.800 0.400 CB 1.271 16 residues pruned to eliminate duplicates Z: 23 8.448 1.886 0.376 0.340 0.727 0.455 CB 1.136 23 residues pruned to eliminate duplicates Z: 33 15.639 1.949 0.507 0.359 0.844 0.406 CB 1.298 33 residues pruned to eliminate duplicates Z: 22 10.763 1.915 0.438 0.362 0.762 0.476 CB 1.299 22 residues pruned to eliminate duplicates Z: 26 9.581 1.916 0.483 0.265 0.720 0.400 CB 1.224 26 residues pruned to eliminate duplicates Z: 40 12.688 1.841 0.467 0.358 0.744 0.462 CB 1.179 40 residues pruned to eliminate duplicates Z: 33 11.517 1.826 0.406 0.359 0.750 0.500 CB 1.231 33 residues pruned to eliminate duplicates Z: 18 8.188 1.880 0.432 0.390 0.706 0.647 CB 1.173 18 residues pruned to eliminate duplicates Z: 31 12.638 1.963 0.373 0.375 0.767 0.433 CB 1.277 31 residues pruned to eliminate duplicates Z: 35 16.043 1.960 0.443 0.353 0.853 0.471 CB 1.336 35 residues pruned to eliminate duplicates Z: 25 9.503 1.870 0.254 0.349 0.833 0.500 CB 1.170 25 residues pruned to eliminate duplicates Z: 13 6.837 1.919 0.266 0.320 0.917 0.583 CB 1.080 13 residues pruned to eliminate duplicates Z: 41 15.621 1.944 0.404 0.355 0.825 0.550 CB 1.283 41 residues pruned to eliminate duplicates Z: 47 15.667 1.917 0.440 0.320 0.826 0.413 CB 1.235 47 residues pruned to eliminate duplicates Z: 45 19.370 1.913 0.581 0.349 0.841 0.409 CB 1.354 45 residues pruned to eliminate duplicates Z: 10 8.923 1.818 0.352 0.541 0.889 0.556 O 1.308 10 residues pruned to eliminate duplicates Z: 10 5.679 1.817 0.438 0.426 0.667 0.444 CB 1.174 10 residues pruned to eliminate duplicates Z: 10 6.382 1.695 0.292 0.436 0.778 0.444 CB 1.333 10 residues pruned to eliminate duplicates Z: 41 15.196 1.864 0.417 0.353 0.800 0.475 CB 1.332 41 residues pruned to eliminate duplicates Z: 37 11.396 1.887 0.337 0.257 0.778 0.444 CB 1.277 37 residues pruned to eliminate duplicates Z: 19 10.700 1.753 0.393 0.524 0.833 0.500 CB 1.211 20 residues pruned to eliminate duplicates Z: 29 11.726 1.786 0.399 0.360 0.857 0.393 CB 1.202 29 residues pruned to eliminate duplicates Z: 16 13.762 1.902 0.529 0.483 0.867 0.600 CB 1.434 18 residues pruned to eliminate duplicates Z: 15 11.947 1.805 0.529 0.850 0.786 0.643 CB 1.090 12 residues pruned to eliminate duplicates Z: 16 15.917 1.850 0.577 0.838 0.933 0.733 CB 1.128 16 residues pruned to eliminate duplicates Z: 11 9.000 1.747 0.564 0.773 0.800 0.500 CB 1.023 11 residues pruned to eliminate duplicates Z: 18 13.724 1.823 0.562 0.604 0.824 0.471 CB 1.286 18 residues pruned to eliminate duplicates Z: 19 11.580 1.766 0.526 0.562 0.889 0.444 CB 1.073 19 residues pruned to eliminate duplicates Z: 12 8.262 1.759 0.541 0.697 0.818 0.636 CB 0.938 12 residues pruned to eliminate duplicates Z: 50 18.509 1.904 0.573 0.408 0.796 0.571 CB 1.222 50 residues pruned to eliminate duplicates Z: 20 11.333 1.831 0.423 0.597 0.789 0.632 CB 1.152 20 residues pruned to eliminate duplicates Z: 30 14.091 1.850 0.500 0.412 0.897 0.517 CB 1.153 30 residues pruned to eliminate duplicates Z: 19 10.273 1.962 0.519 0.439 0.833 0.444 CB 1.039 38 residues pruned to eliminate duplicates Z: 14 12.686 2.043 0.651 0.467 0.846 0.462 CB 1.275 6 residues pruned to eliminate duplicates Z: 9 10.322 1.790 0.474 0.816 0.875 0.875 CB 1.201 9 residues pruned to eliminate duplicates Z: 8 8.049 1.973 0.389 0.690 0.714 0.714 CB 1.306 8 residues pruned to eliminate duplicates Z: 16 11.594 1.897 0.585 0.476 0.867 0.667 CB 1.177 16 residues pruned to eliminate duplicates Z: 15 13.240 2.001 0.747 0.550 0.786 0.643 CB 1.227 15 residues pruned to eliminate duplicates Z: 8 6.224 1.647 0.590 0.491 0.857 0.429 CB 1.058 11 residues pruned to eliminate duplicates Z: 7 2.923 1.486 0.018 0.746 0.833 0.667 CB 0.759 7 residues pruned to eliminate duplicates Z: 11 7.735 1.624 0.353 0.625 0.800 0.500 CB 1.236 10 residues pruned to eliminate duplicates Z: 8 6.029 1.562 0.208 0.754 0.857 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 6 7.009 1.539 0.397 0.689 1.000 0.800 CB 1.225 6 residues pruned to eliminate duplicates Z: 15 7.645 1.488 0.533 0.586 0.857 0.357 CB 0.962 15 residues pruned to eliminate duplicates Z: 11 8.269 1.484 0.661 0.506 0.900 0.400 CB 1.171 11 residues pruned to eliminate duplicates Z: 17 10.101 1.504 0.552 0.600 0.875 0.438 CB 1.124 16 residues pruned to eliminate duplicates Z: 7 4.914 1.396 0.334 0.796 0.833 0.667 O 0.998 7 residues pruned to eliminate duplicates Z: 9 4.923 1.543 0.313 0.537 0.875 0.250 CB 0.947 9 residues pruned to eliminate duplicates Z: 13 6.366 1.596 0.212 0.486 0.917 0.417 CB 1.051 13 residues pruned to eliminate duplicates Z: 11 9.946 1.960 0.336 0.753 0.900 0.700 CB 1.065 8 residues pruned to eliminate duplicates Z: 13 6.725 1.719 0.202 0.744 0.917 0.917 CB 0.824 11 residues pruned to eliminate duplicates Z: 11 9.639 1.740 0.319 0.897 1.000 0.800 CB 0.951 11 residues pruned to eliminate duplicates Z: 14 10.957 1.775 0.421 0.685 0.846 0.615 CB 1.202 15 residues pruned to eliminate duplicates Z: 11 9.458 1.810 0.205 0.856 1.000 0.700 CB 1.011 11 residues pruned to eliminate duplicates Z: 12 13.242 1.949 0.435 0.703 0.909 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 11 14.023 1.870 0.471 0.915 1.000 0.900 CB 1.139 14 residues pruned to eliminate duplicates Z: 10 7.838 1.795 0.531 0.821 0.889 0.556 CB 0.810 10 residues pruned to eliminate duplicates Z: 10 12.983 1.934 0.374 0.843 1.000 0.889 CB 1.213 10 residues pruned to eliminate duplicates Z: 16 9.599 1.766 0.348 0.697 0.933 0.667 CB 0.932 13 residues pruned to eliminate duplicates Z: 10 6.736 1.785 0.084 0.800 0.889 0.778 CB 1.004 10 residues pruned to eliminate duplicates Z: 25 18.619 2.022 0.566 0.539 0.875 0.542 CB 1.321 25 residues pruned to eliminate duplicates Z: 7 7.207 2.242 0.069 0.236 1.000 0.500 CB 1.668 Z: 6 8.708 1.941 0.355 0.395 1.000 0.000 O 1.654 Z: 7 6.993 1.865 0.422 0.482 1.000 0.833 CB 1.096 29 residues pruned to eliminate duplicates Z: 8 8.231 2.164 0.203 0.188 1.000 0.143 CB 1.737 8 residues pruned to eliminate duplicates Z: 26 23.733 2.030 0.710 0.549 0.920 0.520 CB 1.416 29 residues pruned to eliminate duplicates Z: 6 4.404 1.818 0.139 0.535 0.800 0.200 CB 1.149 Z: 17 15.989 1.825 0.556 0.782 0.938 0.750 CB 1.171 15 residues pruned to eliminate duplicates Z: 17 15.529 1.764 0.501 0.774 0.938 0.688 CB 1.227 17 residues pruned to eliminate duplicates Z: 13 11.876 1.763 0.515 0.557 1.000 0.417 CB 1.214 13 residues pruned to eliminate duplicates Z: 29 14.046 1.857 0.277 0.539 0.821 0.464 CB 1.312 40 residues pruned to eliminate duplicates Z: 6 11.672 1.891 0.717 0.864 1.000 0.800 CB 1.179 6 residues pruned to eliminate duplicates Z: 13 14.096 1.851 0.557 0.537 1.000 0.417 CB 1.362 13 residues pruned to eliminate duplicates Z: 45 27.909 1.957 0.566 0.612 0.909 0.568 CB 1.358 45 residues pruned to eliminate duplicates Z: 36 12.241 1.877 0.336 0.406 0.657 0.400 CB 1.386 36 residues pruned to eliminate duplicates Z: 17 18.409 1.812 0.760 0.723 0.875 0.562 CB 1.349 17 residues pruned to eliminate duplicates Z: 26 10.740 1.750 0.491 0.495 0.720 0.360 CB 1.149 26 residues pruned to eliminate duplicates Z: 35 16.152 1.866 0.379 0.466 0.882 0.353 CB 1.263 35 residues pruned to eliminate duplicates Z: 27 17.696 1.899 0.322 0.648 0.885 0.385 CB 1.361 27 residues pruned to eliminate duplicates Z: 18 13.376 1.745 0.671 0.716 0.882 0.118 CB 1.037 18 residues pruned to eliminate duplicates Z: 19 17.362 1.832 0.563 0.708 1.000 0.722 CB 1.183 19 residues pruned to eliminate duplicates Z: 40 18.647 1.869 0.476 0.520 0.846 0.462 CB 1.254 29 residues pruned to eliminate duplicates Z: 16 11.208 1.651 0.742 0.692 0.733 0.267 CB 1.151 16 residues pruned to eliminate duplicates Z: 32 13.925 1.787 0.555 0.470 0.839 0.387 CB 1.106 35 residues pruned to eliminate duplicates Z: 13 15.483 1.881 0.658 0.694 0.917 0.500 CB 1.309 13 residues pruned to eliminate duplicates Z: 18 25.991 1.927 0.801 0.819 0.941 0.824 CB 1.463 18 residues pruned to eliminate duplicates Z: 12 19.581 2.044 0.880 0.618 0.909 0.818 CB 1.512 12 residues pruned to eliminate duplicates Z: 28 22.194 1.885 0.692 0.624 0.926 0.556 CB 1.287 28 residues pruned to eliminate duplicates Z: 18 21.402 1.866 0.944 0.644 0.882 0.471 CB 1.418 18 residues pruned to eliminate duplicates Z: 23 20.354 1.902 0.999 0.643 0.818 0.591 CB 1.221 23 residues pruned to eliminate duplicates Z: 17 16.919 1.911 0.968 0.641 0.812 0.625 CB 1.214 17 residues pruned to eliminate duplicates Z: 18 24.293 2.003 0.806 0.749 0.941 0.824 CB 1.385 18 residues pruned to eliminate duplicates Z: 40 27.352 1.909 0.793 0.582 0.821 0.513 CB 1.441 77 residues pruned to eliminate duplicates Z: 15 31.406 1.988 1.015 0.891 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates Z: 24 20.156 1.902 0.714 0.598 0.826 0.565 CB 1.421 24 residues pruned to eliminate duplicates Z: 25 21.359 1.914 0.621 0.668 0.875 0.625 CB 1.375 43 residues pruned to eliminate duplicates Z: 16 29.682 2.038 0.941 0.906 0.933 0.733 CB 1.476 16 residues pruned to eliminate duplicates Z: 18 27.683 2.022 0.934 0.727 1.000 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 23 7.437 1.637 0.503 0.280 0.727 0.318 CB 1.136 23 residues pruned to eliminate duplicates Z: 17 9.104 1.617 0.482 0.380 0.875 0.375 CB 1.234 16 residues pruned to eliminate duplicates Z: 14 15.388 1.678 0.566 0.886 1.000 0.846 O 1.172 14 residues pruned to eliminate duplicates Z: 23 7.335 1.564 0.433 0.326 0.864 0.409 CB 0.978 23 residues pruned to eliminate duplicates Z: 12 7.350 1.733 0.256 0.615 0.818 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 13 8.341 1.775 0.248 0.652 0.917 0.583 CB 1.029 13 residues pruned to eliminate duplicates Z: 12 9.027 1.852 0.370 0.560 0.909 0.545 CB 1.113 12 residues pruned to eliminate duplicates Z: 11 7.762 1.918 0.344 0.520 0.900 0.700 CB 1.038 11 residues pruned to eliminate duplicates Z: 10 8.332 1.818 0.470 0.490 0.778 0.222 N 1.350 10 residues pruned to eliminate duplicates Z: 10 9.099 1.767 0.561 0.632 1.000 0.556 CB 0.971 10 residues pruned to eliminate duplicates Z: 11 5.643 1.915 0.292 0.379 0.700 0.300 CB 1.172 11 residues pruned to eliminate duplicates Z: 18 10.135 1.678 0.592 0.415 0.882 0.412 CB 1.140 18 residues pruned to eliminate duplicates Z: 26 14.750 1.857 0.412 0.554 0.880 0.640 CB 1.213 20 residues pruned to eliminate duplicates Z: 6 4.526 1.741 0.558 0.225 0.800 0.400 CB 1.286 6 residues pruned to eliminate duplicates Z: 22 12.359 1.836 0.562 0.508 0.810 0.476 CB 1.153 22 residues pruned to eliminate duplicates Z: 30 15.268 1.820 0.430 0.574 0.862 0.724 CB 1.177 42 residues pruned to eliminate duplicates Z: 6 3.744 1.495 0.670 0.365 0.800 0.400 N 0.969 Z: 22 28.866 1.899 0.764 0.919 1.000 0.810 CB 1.325 28 residues pruned to eliminate duplicates Z: 27 14.090 1.804 0.486 0.613 0.885 0.577 CB 1.047 27 residues pruned to eliminate duplicates Z: 16 11.496 1.637 0.708 0.559 0.867 0.600 CB 1.156 16 residues pruned to eliminate duplicates Z: 22 21.668 1.929 0.455 0.783 0.905 0.762 O 1.451 22 residues pruned to eliminate duplicates Z: 34 21.468 1.881 0.468 0.726 0.939 0.697 CB 1.175 34 residues pruned to eliminate duplicates Z: 9 11.185 1.736 0.492 0.636 1.000 0.625 N 1.344 Z: 19 27.118 1.953 0.618 0.884 1.000 0.778 CB 1.462 28 residues pruned to eliminate duplicates Z: 17 16.532 1.876 0.880 0.646 0.812 0.688 CB 1.258 17 residues pruned to eliminate duplicates Z: 28 19.931 1.815 0.512 0.612 0.926 0.593 CB 1.358 28 residues pruned to eliminate duplicates Z: 16 19.195 1.911 0.638 0.794 0.933 0.733 CB 1.311 16 residues pruned to eliminate duplicates Z: 32 27.614 1.857 0.740 0.733 0.903 0.806 CB 1.378 21 residues pruned to eliminate duplicates Z: 16 17.547 1.914 0.687 0.825 0.867 0.600 CB 1.222 Z: 20 30.568 1.973 0.830 0.874 1.000 0.632 CB 1.413 36 residues pruned to eliminate duplicates Z: 31 16.266 1.814 0.671 0.574 0.733 0.400 CB 1.244 31 residues pruned to eliminate duplicates Z: 37 26.309 1.887 0.777 0.643 0.917 0.639 CB 1.248 37 residues pruned to eliminate duplicates Z: 23 29.370 1.950 0.778 0.792 1.000 0.636 CB 1.397 23 residues pruned to eliminate duplicates Z: 36 19.591 1.812 0.591 0.615 0.829 0.457 CB 1.243 36 residues pruned to eliminate duplicates Z: 31 21.546 1.888 0.647 0.625 0.833 0.500 CB 1.349 31 residues pruned to eliminate duplicates Z: 20 23.951 1.960 0.884 0.801 0.842 0.579 CB 1.358 20 residues pruned to eliminate duplicates Z: 25 25.138 1.878 0.852 0.677 0.917 0.542 CB 1.367 25 residues pruned to eliminate duplicates Z: 33 23.143 1.888 0.505 0.683 0.906 0.688 CB 1.343 32 residues pruned to eliminate duplicates Z: 22 29.068 1.982 0.794 0.806 0.952 0.619 CB 1.435 22 residues pruned to eliminate duplicates Z: 22 26.781 1.990 0.694 0.807 0.905 0.476 CB 1.466 22 residues pruned to eliminate duplicates Z: 11 6.572 1.753 0.198 0.527 0.800 0.400 CB 1.204 12 residues pruned to eliminate duplicates Z: 6 5.506 1.344 0.953 0.453 1.000 0.800 N 0.984 6 residues pruned to eliminate duplicates Z: 30 20.850 1.834 0.580 0.590 0.931 0.586 CB 1.316 30 residues pruned to eliminate duplicates Z: 6 3.872 1.422 0.346 0.455 0.800 0.600 N 1.185 6 residues pruned to eliminate duplicates Z: 11 2.862 1.611 0.314 0.416 0.800 0.300 CB 0.583 6 residues pruned to eliminate duplicates Z: 17 6.743 1.673 0.224 0.669 0.875 0.500 CB 0.806 17 residues pruned to eliminate duplicates Z: 14 3.652 1.723 0.288 0.138 0.692 0.385 CB 1.032 14 residues pruned to eliminate duplicates Z: 12 6.122 1.772 0.471 0.506 0.818 0.364 CB 0.860 12 residues pruned to eliminate duplicates Z: 10 5.905 1.752 0.440 0.810 1.000 0.889 CB 0.596 10 residues pruned to eliminate duplicates Z: 8 5.862 1.795 0.246 0.784 0.857 0.571 CB 0.900 8 residues pruned to eliminate duplicates Z: 8 6.476 1.593 0.590 0.615 0.857 0.286 CB 1.011 8 residues pruned to eliminate duplicates Z: 9 10.871 1.806 0.663 0.768 0.875 0.500 CB 1.154 9 residues pruned to eliminate duplicates Z: 14 14.130 1.746 0.477 0.832 1.000 0.846 CB 1.140 14 residues pruned to eliminate duplicates Z: 14 14.648 1.758 0.579 0.802 1.000 0.692 CB 1.124 14 residues pruned to eliminate duplicates Z: 15 12.435 1.659 0.595 0.816 1.000 0.571 CB 0.954 15 residues pruned to eliminate duplicates Z: 14 10.344 1.691 0.533 0.727 0.923 0.615 CB 0.977 14 residues pruned to eliminate duplicates Z: 13 15.186 1.659 0.741 0.818 1.000 0.667 CB 1.152 13 residues pruned to eliminate duplicates Z: 14 10.561 1.801 0.452 0.676 0.923 0.538 CB 1.032 14 residues pruned to eliminate duplicates Z: 20 16.954 1.841 0.639 0.631 0.947 0.632 CB 1.203 21 residues pruned to eliminate duplicates Z: 15 12.419 1.676 0.698 0.797 0.929 0.500 CB 0.968 15 residues pruned to eliminate duplicates Z: 12 5.086 1.706 0.273 0.383 0.727 0.455 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 6.159 1.841 0.415 0.460 0.714 0.571 O 1.303 8 residues pruned to eliminate duplicates Z: 12 7.124 1.744 0.328 0.474 0.818 0.545 CB 1.164 10 residues pruned to eliminate duplicates Z: 6 2.322 1.544 0.409 0.349 0.600 0.600 CB 0.937 6 residues pruned to eliminate duplicates Z: 23 12.635 1.770 0.547 0.540 0.818 0.455 CB 1.156 23 residues pruned to eliminate duplicates Z: 21 12.161 1.807 0.455 0.571 0.800 0.500 CB 1.206 21 residues pruned to eliminate duplicates Z: 9 3.136 1.351 0.331 0.127 1.000 0.625 O 0.984 Z: 14 9.513 1.744 0.713 0.687 0.769 0.692 CB 0.967 Z: 14 9.802 1.632 0.526 0.753 0.846 0.769 CB 1.030 14 residues pruned to eliminate duplicates Z: 20 13.896 1.747 0.596 0.528 0.895 0.368 CB 1.243 31 residues pruned to eliminate duplicates Z: 15 14.324 1.712 0.660 0.850 1.000 0.643 CB 0.998 15 residues pruned to eliminate duplicates Z: 16 7.441 1.569 0.434 0.409 0.800 0.267 CB 1.173 16 residues pruned to eliminate duplicates Z: 17 8.363 1.682 0.548 0.458 0.750 0.375 CB 1.118 35 residues pruned to eliminate duplicates Z: 9 10.732 1.804 0.462 0.761 0.875 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 39 17.727 1.761 0.715 0.551 0.816 0.553 CB 1.111 46 residues pruned to eliminate duplicates Z: 10 9.431 1.767 0.519 0.538 0.889 0.111 N 1.269 10 residues pruned to eliminate duplicates Z: 15 6.740 1.690 0.587 0.417 0.571 0.214 CB 1.282 10 residues pruned to eliminate duplicates Z: 16 13.423 1.620 0.848 0.855 0.933 0.600 CB 0.916 19 residues pruned to eliminate duplicates Z: 14 11.781 1.484 0.983 0.734 0.923 0.308 CB 0.975 14 residues pruned to eliminate duplicates Z: 11 8.481 1.623 0.699 0.751 0.700 0.300 CB 1.112 11 residues pruned to eliminate duplicates Z: 14 8.293 1.645 0.448 0.461 0.846 0.385 N 1.188 11 residues pruned to eliminate duplicates Z: 8 7.692 1.607 0.415 0.590 1.000 0.429 CB 1.173 8 residues pruned to eliminate duplicates Z: 7 10.634 1.778 0.408 0.815 1.000 0.833 O 1.319 7 residues pruned to eliminate duplicates Z: 9 12.499 1.631 0.574 0.794 1.000 0.750 O 1.330 7 residues pruned to eliminate duplicates Z: 8 8.467 1.587 0.736 0.602 0.857 0.571 O 1.230 9 residues pruned to eliminate duplicates Z: 8 13.451 1.571 0.862 0.818 1.000 0.714 O 1.319 8 residues pruned to eliminate duplicates Z: 8 4.776 1.393 0.124 0.561 1.000 0.571 CB 1.086 Z: 12 12.201 1.734 0.535 0.642 0.909 0.545 O 1.331 12 residues pruned to eliminate duplicates Z: 8 11.508 1.832 0.524 0.577 1.000 0.714 CB 1.447 8 residues pruned to eliminate duplicates Z: 12 15.154 1.883 0.651 0.667 0.909 0.455 CB 1.384 12 residues pruned to eliminate duplicates Z: 34 20.341 1.825 0.677 0.494 0.848 0.606 CB 1.372 38 residues pruned to eliminate duplicates Z: 9 10.069 1.801 0.381 0.823 1.000 0.750 CB 1.082 9 residues pruned to eliminate duplicates Z: 13 12.702 1.863 0.508 0.529 0.833 0.667 N 1.522 13 residues pruned to eliminate duplicates Z: 16 10.902 1.856 0.365 0.543 0.800 0.467 CB 1.332 16 residues pruned to eliminate duplicates Z: 12 13.515 1.833 0.660 0.507 1.000 0.182 CB 1.330 12 residues pruned to eliminate duplicates Z: 14 4.074 1.675 0.172 0.338 0.692 0.538 CB 0.993 Z: 22 12.192 1.712 0.465 0.679 0.762 0.619 CB 1.181 36 residues pruned to eliminate duplicates Z: 16 5.275 1.697 0.177 0.258 0.800 0.333 CB 1.124 16 residues pruned to eliminate duplicates Z: 13 7.797 1.814 0.209 0.451 0.833 0.500 CB 1.295 13 residues pruned to eliminate duplicates Z: 39 22.307 1.886 0.559 0.630 0.868 0.632 CB 1.254 33 residues pruned to eliminate duplicates Z: 14 11.587 1.648 0.483 0.777 0.846 0.385 O 1.217 14 residues pruned to eliminate duplicates Z: 21 8.314 1.842 0.312 0.476 0.650 0.400 CB 1.213 21 residues pruned to eliminate duplicates Z: 17 14.604 1.859 0.506 0.706 0.875 0.750 CB 1.236 17 residues pruned to eliminate duplicates Z: 7 5.436 1.916 0.341 0.702 0.667 0.167 CB 1.078 7 residues pruned to eliminate duplicates Z: 12 5.973 1.791 0.332 0.500 0.636 0.182 CB 1.187 12 residues pruned to eliminate duplicates Z: 20 10.145 1.854 0.436 0.446 0.737 0.316 CB 1.255 20 residues pruned to eliminate duplicates Z: 17 12.971 1.856 0.712 0.558 0.750 0.375 CB 1.285 17 residues pruned to eliminate duplicates Z: 33 13.350 1.760 0.558 0.350 0.812 0.469 CB 1.246 29 residues pruned to eliminate duplicates Z: 11 7.039 1.774 0.357 0.572 0.800 0.300 CB 1.078 11 residues pruned to eliminate duplicates Z: 37 14.988 1.774 0.496 0.497 0.806 0.472 CB 1.173 37 residues pruned to eliminate duplicates Z: 14 9.439 1.767 0.604 0.594 0.769 0.462 CB 1.098 14 residues pruned to eliminate duplicates Z: 11 10.986 1.745 0.765 0.677 0.800 0.700 N 1.197 11 residues pruned to eliminate duplicates Z: 15 9.078 1.717 0.808 0.446 0.714 0.500 CB 1.156 15 residues pruned to eliminate duplicates Z: 62 19.858 1.803 0.451 0.530 0.836 0.508 CB 1.128 97 residues pruned to eliminate duplicates Z: 17 18.251 1.876 0.467 0.895 1.000 0.812 CB 1.189 18 residues pruned to eliminate duplicates Z: 16 19.901 1.927 0.719 0.894 1.000 0.933 CB 1.113 16 residues pruned to eliminate duplicates Z: 15 14.475 1.899 0.522 0.799 0.857 0.714 CB 1.202 15 residues pruned to eliminate duplicates Z: 17 14.242 1.812 0.486 0.773 0.875 0.688 CB 1.187 17 residues pruned to eliminate duplicates Z: 18 16.663 1.783 0.590 0.807 0.941 0.647 CB 1.159 18 residues pruned to eliminate duplicates Z: 28 13.621 1.761 0.610 0.519 0.852 0.630 CB 1.065 22 residues pruned to eliminate duplicates Z: 16 17.262 1.910 0.611 0.899 0.933 0.867 CB 1.109 16 residues pruned to eliminate duplicates Z: 20 20.595 1.857 0.946 0.765 0.895 0.789 CB 1.155 23 residues pruned to eliminate duplicates Z: 18 16.269 1.840 0.501 0.912 0.941 0.706 CB 1.075 18 residues pruned to eliminate duplicates Z: 29 19.386 1.873 0.672 0.638 0.821 0.607 CB 1.252 27 residues pruned to eliminate duplicates Z: 10 7.185 1.762 0.911 0.617 0.667 0.444 CB 0.956 10 residues pruned to eliminate duplicates Z: 23 4.792 1.775 0.300 0.125 0.636 0.318 CB 1.114 10 residues pruned to eliminate duplicates Z: 6 2.485 1.414 0.481 0.275 0.600 0.200 O 1.141 Z: 26 18.225 1.842 0.519 0.526 0.920 0.440 CB 1.380 23 residues pruned to eliminate duplicates Z: 6 3.159 1.213 0.693 0.390 0.800 0.400 C 0.966 6 residues pruned to eliminate duplicates Z: 37 10.381 1.739 0.386 0.351 0.694 0.250 CB 1.214 37 residues pruned to eliminate duplicates Z: 9 7.771 1.820 0.668 0.229 0.875 0.625 N 1.419 9 residues pruned to eliminate duplicates Z: 22 15.209 1.792 0.720 0.400 0.905 0.571 CB 1.322 22 residues pruned to eliminate duplicates Z: 61 23.762 1.836 0.569 0.447 0.883 0.600 CB 1.273 61 residues pruned to eliminate duplicates Z: 28 20.120 1.906 0.780 0.480 0.815 0.556 CB 1.429 28 residues pruned to eliminate duplicates Z: 16 20.435 1.885 0.777 0.860 0.933 0.733 CB 1.240 13 residues pruned to eliminate duplicates Z: 20 19.954 1.712 0.722 0.815 0.947 0.579 CB 1.246 20 residues pruned to eliminate duplicates Z: 32 17.853 1.869 0.543 0.555 0.839 0.548 CB 1.256 32 residues pruned to eliminate duplicates Z: 32 16.839 1.825 0.606 0.451 0.806 0.387 CB 1.345 32 residues pruned to eliminate duplicates Z: 25 22.813 1.859 0.693 0.672 0.875 0.583 CB 1.444 25 residues pruned to eliminate duplicates Z: 41 27.762 1.878 0.687 0.624 0.925 0.575 CB 1.333 41 residues pruned to eliminate duplicates Z: 28 23.727 1.911 0.754 0.531 0.963 0.741 CB 1.372 28 residues pruned to eliminate duplicates Z: 25 18.570 1.880 0.658 0.534 0.875 0.542 CB 1.343 25 residues pruned to eliminate duplicates Z: 23 22.377 1.939 0.584 0.616 0.955 0.682 CB 1.458 23 residues pruned to eliminate duplicates Z: 31 24.659 1.887 0.707 0.585 0.967 0.733 CB 1.333 30 residues pruned to eliminate duplicates Z: 17 20.449 1.871 0.397 0.829 1.000 0.875 CB 1.471 17 residues pruned to eliminate duplicates Z: 10 6.210 1.826 0.345 0.492 0.778 0.667 CB 1.093 10 residues pruned to eliminate duplicates Z: 29 22.225 1.856 0.597 0.557 0.929 0.571 CB 1.443 29 residues pruned to eliminate duplicates Z: 31 21.706 1.857 0.628 0.581 0.900 0.500 CB 1.348 31 residues pruned to eliminate duplicates Z: 8 8.482 1.631 0.619 0.732 0.857 0.714 CB 1.150 8 residues pruned to eliminate duplicates Z: 8 7.212 1.735 0.456 0.772 0.714 0.571 CB 1.188 8 residues pruned to eliminate duplicates Z: 8 4.536 1.628 0.323 0.520 0.714 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 10 6.994 1.616 0.371 0.595 0.778 0.667 N 1.234 10 residues pruned to eliminate duplicates Z: 7 10.291 1.452 0.958 0.721 1.000 0.500 N 1.211 7 residues pruned to eliminate duplicates Z: 11 8.842 1.574 0.380 0.855 0.900 0.900 CB 1.055 11 residues pruned to eliminate duplicates Z: 11 7.208 1.486 0.652 0.726 0.800 0.100 CB 0.946 11 residues pruned to eliminate duplicates Z: 8 9.297 1.634 0.749 0.775 1.000 0.714 CB 0.965 8 residues pruned to eliminate duplicates Z: 8 7.246 1.553 0.680 0.563 0.857 0.714 CB 1.153 7 residues pruned to eliminate duplicates Z: 8 4.369 1.508 0.603 0.264 0.857 0.143 O 1.043 8 residues pruned to eliminate duplicates Z: 11 6.191 1.525 0.625 0.397 0.800 0.200 CB 1.100 15 residues pruned to eliminate duplicates Z: 8 8.837 1.664 0.676 0.662 0.857 0.714 CB 1.202 8 residues pruned to eliminate duplicates Z: 11 5.879 1.502 0.562 0.606 0.800 0.400 CB 0.896 11 residues pruned to eliminate duplicates Z: 10 11.102 1.666 0.896 0.575 0.889 0.222 CB 1.226 10 residues pruned to eliminate duplicates Z: 11 9.952 1.591 0.727 0.653 0.900 0.700 CB 1.104 11 residues pruned to eliminate duplicates Z: 10 3.774 1.608 0.338 0.251 0.667 0.222 N 1.168 Z: 14 8.051 1.563 0.612 0.617 0.846 0.538 CB 0.938 10 residues pruned to eliminate duplicates Z: 18 8.929 1.467 0.600 0.677 0.706 0.529 CB 1.110 18 residues pruned to eliminate duplicates Z: 10 4.866 1.450 0.504 0.420 0.667 0.333 N 1.213 10 residues pruned to eliminate duplicates Z: 14 6.166 1.573 0.305 0.525 0.769 0.308 CB 1.057 14 residues pruned to eliminate duplicates Z: 15 5.865 1.571 0.144 0.499 0.714 0.286 N 1.223 15 residues pruned to eliminate duplicates Z: 9 8.102 1.546 0.578 0.603 1.000 0.750 N 1.064 9 residues pruned to eliminate duplicates Z: 10 4.755 1.582 0.084 0.682 0.778 0.444 CB 1.005 10 residues pruned to eliminate duplicates Z: 13 9.363 1.594 0.543 0.663 0.833 0.583 CB 1.133 13 residues pruned to eliminate duplicates Z: 18 13.374 1.584 0.666 0.696 0.882 0.588 CB 1.164 31 residues pruned to eliminate duplicates Z: 13 12.337 1.625 0.439 0.831 1.000 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 17 12.651 1.618 0.595 0.703 0.875 0.625 CB 1.165 17 residues pruned to eliminate duplicates Z: 6 3.524 1.618 0.248 0.666 0.600 0.600 N 1.116 6 residues pruned to eliminate duplicates Z: 13 8.545 1.675 0.279 0.636 0.833 0.417 CB 1.216 13 residues pruned to eliminate duplicates Z: 11 10.740 1.653 0.619 0.572 0.900 0.600 CB 1.315 11 residues pruned to eliminate duplicates Z: 10 14.384 1.666 0.726 0.873 1.000 0.667 CB 1.215 10 residues pruned to eliminate duplicates Z: 13 14.524 1.692 0.519 0.834 1.000 0.750 CB 1.224 12 residues pruned to eliminate duplicates Z: 12 14.875 1.711 0.537 0.900 1.000 0.909 CB 1.218 12 residues pruned to eliminate duplicates Z: 9 10.365 1.746 0.528 0.638 0.875 0.750 CB 1.380 9 residues pruned to eliminate duplicates Z: 10 11.431 1.770 0.517 0.754 0.778 0.667 O 1.454 10 residues pruned to eliminate duplicates Z: 10 11.633 1.751 0.465 0.779 0.889 0.889 CB 1.329 10 residues pruned to eliminate duplicates Z: 14 11.363 1.681 0.644 0.714 0.846 0.769 CB 1.111 13 residues pruned to eliminate duplicates Z: 14 11.038 1.651 0.554 0.815 0.846 0.538 CB 1.072 14 residues pruned to eliminate duplicates Z: 9 7.294 1.631 0.480 0.633 1.000 0.750 CB 0.943 9 residues pruned to eliminate duplicates Z: 13 13.845 1.698 0.921 0.761 0.917 0.750 CB 1.060 13 residues pruned to eliminate duplicates Z: 14 12.474 1.665 0.602 0.814 1.000 0.769 CB 0.987 14 residues pruned to eliminate duplicates Z: 15 12.930 1.667 0.474 0.788 1.000 0.571 CB 1.092 15 residues pruned to eliminate duplicates Z: 15 16.583 1.677 0.789 0.839 1.000 0.786 CB 1.103 14 residues pruned to eliminate duplicates Z: 7 5.906 1.613 0.067 0.805 0.833 0.833 O 1.288 7 residues pruned to eliminate duplicates Z: 7 6.873 1.592 0.292 0.702 0.833 0.667 O 1.362 Z: 9 7.549 1.373 0.300 0.819 1.000 0.750 CB 1.134 16 residues pruned to eliminate duplicates Z: 8 8.324 1.517 0.376 0.764 0.857 0.429 N 1.390 8 residues pruned to eliminate duplicates Z: 7 7.001 1.557 0.414 0.675 0.833 0.500 N 1.326 7 residues pruned to eliminate duplicates 7 1.959 1.505 0.217 0.083 0.667 0.000 CB 1.123 ? Z: 9 3.083 1.656 0.329 0.340 0.500 0.000 N 1.179 Z: 14 8.319 1.664 0.467 0.637 0.846 0.615 CB 0.982 19 residues pruned to eliminate duplicates Z: 11 7.099 1.764 0.578 0.697 0.700 0.400 CB 0.963 11 residues pruned to eliminate duplicates Z: 16 8.866 1.731 0.420 0.628 0.800 0.467 CB 1.032 16 residues pruned to eliminate duplicates Z: 11 5.037 1.566 0.472 0.326 0.700 0.100 N 1.195 11 residues pruned to eliminate duplicates Z: 10 5.908 1.818 0.210 0.750 0.889 0.667 CB 0.806 10 residues pruned to eliminate duplicates Z: 15 8.829 1.723 0.484 0.620 0.857 0.643 CB 0.961 15 residues pruned to eliminate duplicates Z: 17 10.041 1.705 0.533 0.603 0.812 0.500 CB 1.072 17 residues pruned to eliminate duplicates Z: 8 4.117 1.659 0.313 0.712 0.857 0.429 CB 0.688 8 residues pruned to eliminate duplicates Z: 19 8.543 1.640 0.316 0.566 0.833 0.444 CB 1.050 19 residues pruned to eliminate duplicates Z: 16 8.463 1.669 0.547 0.555 0.800 0.467 CB 1.003 16 residues pruned to eliminate duplicates Z: 9 5.183 1.653 0.583 0.736 0.750 0.625 CB 0.755 9 residues pruned to eliminate duplicates Z: 9 3.547 1.617 0.537 0.777 0.750 0.750 CB 0.527 Z: 9 11.087 1.657 0.380 0.844 1.000 0.625 O 1.276 9 residues pruned to eliminate duplicates Z: 9 12.380 1.644 0.658 0.828 0.875 0.625 CB 1.382 10 residues pruned to eliminate duplicates Z: 9 14.991 1.645 0.783 0.884 1.000 0.875 CB 1.305 9 residues pruned to eliminate duplicates Z: 9 13.995 1.621 0.985 0.843 1.000 0.750 CB 1.145 8 residues pruned to eliminate duplicates Z: 10 11.625 1.551 0.858 0.749 0.889 0.556 CB 1.212 10 residues pruned to eliminate duplicates Z: 11 4.781 1.450 0.571 0.414 0.700 0.500 CB 1.038 11 residues pruned to eliminate duplicates Z: 10 11.432 1.625 0.752 0.802 1.000 0.778 CB 1.029 10 residues pruned to eliminate duplicates Z: 11 8.617 1.514 0.635 0.666 0.900 0.700 CB 1.049 11 residues pruned to eliminate duplicates Z: 13 10.810 1.507 0.442 0.754 0.917 0.667 CB 1.249 10 residues pruned to eliminate duplicates Z: 7 7.411 1.701 0.190 0.731 1.000 0.333 CB 1.214 7 residues pruned to eliminate duplicates Z: 10 9.462 1.581 0.415 0.699 0.889 0.556 N 1.322 10 residues pruned to eliminate duplicates Z: 10 7.769 1.531 0.545 0.631 0.778 0.556 CB 1.245 10 residues pruned to eliminate duplicates Z: 10 8.773 1.561 0.778 0.535 0.889 0.444 CB 1.145 10 residues pruned to eliminate duplicates Z: 9 5.948 1.528 0.503 0.603 0.750 0.500 CB 1.107 9 residues pruned to eliminate duplicates Z: 11 9.151 1.541 0.507 0.666 0.800 0.500 CB 1.336 11 residues pruned to eliminate duplicates Z: 10 8.315 1.519 0.525 0.722 0.778 0.667 N 1.259 10 residues pruned to eliminate duplicates Z: 8 3.790 1.402 0.398 0.459 0.714 0.429 CB 1.066 8 residues pruned to eliminate duplicates Z: 6 2.960 1.693 0.279 0.575 0.600 0.400 CB 0.948 Z: 9 5.095 1.614 0.388 0.751 0.625 0.500 CB 1.028 6 residues pruned to eliminate duplicates Z: 9 8.329 1.614 0.668 0.777 0.875 0.500 CB 0.980 9 residues pruned to eliminate duplicates Z: 8 8.578 1.621 0.645 0.784 1.000 0.714 CB 0.947 8 residues pruned to eliminate duplicates Z: 16 12.144 1.498 0.578 0.700 0.933 0.600 O 1.185 14 residues pruned to eliminate duplicates Z: 12 9.980 1.620 0.734 0.679 0.727 0.545 CB 1.250 15 residues pruned to eliminate duplicates Z: 8 6.740 1.642 0.664 0.758 0.714 0.429 N 1.038 8 residues pruned to eliminate duplicates Z: 14 6.673 1.690 0.274 0.425 0.692 0.385 CB 1.342 10 residues pruned to eliminate duplicates Z: 11 13.476 1.605 0.580 0.858 1.000 0.700 O 1.238 11 residues pruned to eliminate duplicates Z: 7 8.898 1.748 0.281 0.561 1.000 0.667 N 1.528 7 residues pruned to eliminate duplicates Z: 10 9.120 1.730 0.228 0.640 0.889 0.333 CB 1.411 10 residues pruned to eliminate duplicates Z: 11 9.849 1.664 0.425 0.663 0.900 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 9 5.896 1.690 0.652 0.411 0.625 0.375 CB 1.311 9 residues pruned to eliminate duplicates Z: 20 11.528 1.563 0.527 0.497 0.895 0.474 CB 1.242 19 residues pruned to eliminate duplicates Z: 13 13.857 1.616 0.637 0.817 1.000 0.583 O 1.148 13 residues pruned to eliminate duplicates Z: 7 4.035 1.462 0.256 0.544 0.833 0.000 CB 1.031 5 residues pruned to eliminate duplicates Z: 9 4.637 1.408 0.734 0.776 0.750 0.500 CB 0.702 8 residues pruned to eliminate duplicates Z: 8 4.153 1.365 0.452 0.695 0.857 0.714 CB 0.773 7 residues pruned to eliminate duplicates Z: 9 3.113 1.316 0.350 0.587 0.875 0.625 CB 0.651 9 residues pruned to eliminate duplicates Z: 10 2.246 1.497 0.038 0.202 0.667 0.222 CB 1.029 Z: 15 14.424 1.840 0.532 0.792 0.929 0.714 CB 1.140 13 residues pruned to eliminate duplicates Z: 13 14.199 1.882 0.408 0.819 0.917 0.833 O 1.280 13 residues pruned to eliminate duplicates Z: 10 6.147 1.850 0.298 0.534 0.667 0.444 CB 1.238 10 residues pruned to eliminate duplicates Z: 17 7.745 1.740 0.165 0.569 0.812 0.625 O 1.099 17 residues pruned to eliminate duplicates Z: 13 13.694 1.915 0.364 0.805 0.917 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 15 14.580 1.784 0.458 0.705 1.000 0.714 CB 1.244 13 residues pruned to eliminate duplicates Z: 14 14.629 1.867 0.433 0.903 0.923 0.846 CB 1.171 14 residues pruned to eliminate duplicates Z: 15 15.488 1.842 0.460 0.873 1.000 0.643 CB 1.122 15 residues pruned to eliminate duplicates Z: 17 14.543 1.868 0.396 0.708 0.875 0.562 CB 1.319 18 residues pruned to eliminate duplicates Z: 14 13.684 1.890 0.347 0.884 0.923 0.615 CB 1.167 14 residues pruned to eliminate duplicates Z: 26 12.634 1.799 0.384 0.545 0.880 0.440 CB 1.103 36 residues pruned to eliminate duplicates Z: 15 11.755 1.770 0.277 0.876 0.857 0.786 CB 1.178 15 residues pruned to eliminate duplicates Z: 7 5.575 1.656 0.781 0.231 0.833 0.167 N 1.267 7 residues pruned to eliminate duplicates Z: 23 12.824 1.812 0.715 0.506 0.773 0.455 CB 1.132 42 residues pruned to eliminate duplicates Z: 15 11.540 1.808 0.609 0.730 0.786 0.500 CB 1.096 15 residues pruned to eliminate duplicates Z: 14 11.695 1.746 0.744 0.515 0.769 0.385 CB 1.364 14 residues pruned to eliminate duplicates Z: 12 12.064 1.924 0.637 0.527 0.727 0.636 N 1.546 12 residues pruned to eliminate duplicates Z: 10 17.339 1.816 1.129 0.693 0.889 0.667 CB 1.410 10 residues pruned to eliminate duplicates Z: 14 11.545 1.771 0.575 0.586 0.846 0.308 N 1.250 14 residues pruned to eliminate duplicates Z: 10 14.251 1.809 0.982 0.624 1.000 0.444 N 1.179 10 residues pruned to eliminate duplicates Z: 18 19.508 1.831 0.981 0.576 0.882 0.529 CB 1.374 18 residues pruned to eliminate duplicates Z: 14 26.473 1.937 0.952 0.769 1.000 0.846 CB 1.531 14 residues pruned to eliminate duplicates Z: 14 25.547 1.971 0.878 0.760 1.000 0.769 CB 1.519 14 residues pruned to eliminate duplicates Z: 18 12.155 1.747 0.633 0.634 0.824 0.765 CB 1.106 18 residues pruned to eliminate duplicates Z: 16 20.479 1.822 0.976 0.722 0.867 0.733 CB 1.387 16 residues pruned to eliminate duplicates Z: 7 4.964 1.703 0.456 0.541 0.667 0.667 CB 1.178 7 residues pruned to eliminate duplicates Z: 18 10.107 1.744 0.909 0.580 0.588 0.353 N 1.159 18 residues pruned to eliminate duplicates Z: 7 6.393 1.747 0.579 0.560 0.833 0.500 N 1.071 7 residues pruned to eliminate duplicates Z: 15 21.187 1.803 1.303 0.736 0.929 0.429 CB 1.188 15 residues pruned to eliminate duplicates Z: 11 5.795 1.571 0.680 0.306 0.800 0.400 CB 1.077 20 residues pruned to eliminate duplicates Z: 8 4.189 1.349 0.176 0.872 1.000 0.857 CB 0.727 Z: 7 4.451 1.494 0.523 0.868 1.000 0.833 CB 0.584 7 residues pruned to eliminate duplicates Z: 6 2.919 1.743 0.197 0.350 0.600 0.200 CB 1.227 6 residues pruned to eliminate duplicates Z: 10 9.637 1.852 0.450 0.853 0.778 0.667 CB 1.137 10 residues pruned to eliminate duplicates Z: 8 6.677 1.782 0.391 0.675 0.714 0.143 CB 1.214 8 residues pruned to eliminate duplicates Z: 12 9.803 1.709 0.577 0.807 0.818 0.636 CB 1.026 12 residues pruned to eliminate duplicates Z: 12 7.825 1.679 0.519 0.536 0.727 0.364 N 1.228 12 residues pruned to eliminate duplicates Z: 14 7.614 1.682 0.422 0.356 0.769 0.462 O 1.341 14 residues pruned to eliminate duplicates Z: 15 10.347 1.717 0.581 0.581 0.786 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 14 11.187 1.766 0.347 0.734 0.923 0.538 CB 1.145 14 residues pruned to eliminate duplicates Z: 17 9.764 1.783 0.438 0.575 0.750 0.562 CB 1.181 17 residues pruned to eliminate duplicates Z: 17 11.745 1.784 0.574 0.634 0.875 0.562 CB 1.054 17 residues pruned to eliminate duplicates Z: 26 12.024 1.831 0.479 0.505 0.760 0.560 CB 1.162 26 residues pruned to eliminate duplicates Z: 24 14.869 1.799 0.564 0.622 0.826 0.478 CB 1.189 24 residues pruned to eliminate duplicates Z: 21 10.917 1.839 0.610 0.529 0.700 0.400 CB 1.145 21 residues pruned to eliminate duplicates Z: 16 4.987 1.777 0.586 0.575 0.400 0.267 CB 1.063 16 residues pruned to eliminate duplicates Z: 24 12.106 1.868 0.519 0.463 0.696 0.565 CB 1.328 24 residues pruned to eliminate duplicates Z: 23 11.717 1.725 0.528 0.642 0.727 0.455 CB 1.141 23 residues pruned to eliminate duplicates Z: 34 15.720 1.827 0.618 0.526 0.758 0.515 CB 1.192 34 residues pruned to eliminate duplicates Z: 30 15.972 1.856 0.658 0.504 0.828 0.483 CB 1.161 30 residues pruned to eliminate duplicates Z: 32 14.799 1.830 0.617 0.564 0.806 0.581 CB 1.047 32 residues pruned to eliminate duplicates Z: 20 17.326 1.929 0.575 0.546 0.842 0.474 CB 1.486 20 residues pruned to eliminate duplicates Z: 28 17.366 1.918 0.531 0.530 0.815 0.444 CB 1.356 28 residues pruned to eliminate duplicates Z: 6 3.424 1.886 0.575 0.100 0.600 0.400 CB 1.432 6 residues pruned to eliminate duplicates Z: 15 13.230 1.910 0.485 0.511 0.857 0.571 CB 1.439 13 residues pruned to eliminate duplicates Z: 8 4.514 1.556 0.645 0.520 0.571 0.429 N 1.144 8 residues pruned to eliminate duplicates Z: 18 13.503 1.848 0.697 0.474 0.824 0.412 CB 1.302 18 residues pruned to eliminate duplicates Z: 22 19.193 1.922 0.655 0.597 0.857 0.429 CB 1.401 22 residues pruned to eliminate duplicates Z: 34 24.834 1.888 0.692 0.669 0.909 0.485 CB 1.274 35 residues pruned to eliminate duplicates Z: 6 4.945 1.393 1.124 0.477 1.000 1.000 N 0.765 6 residues pruned to eliminate duplicates Z: 28 17.159 1.872 0.543 0.611 0.778 0.556 CB 1.324 28 residues pruned to eliminate duplicates Z: 33 22.924 1.899 0.640 0.682 0.844 0.562 CB 1.305 33 residues pruned to eliminate duplicates Z: 10 6.293 1.480 0.203 0.880 1.000 0.889 CB 0.854 8 residues pruned to eliminate duplicates Z: 9 7.380 1.629 0.308 0.710 1.000 0.375 CB 1.012 8 residues pruned to eliminate duplicates Z: 8 7.714 1.632 0.726 0.723 0.857 0.714 CB 0.988 9 residues pruned to eliminate duplicates Z: 9 9.518 1.704 0.375 0.856 1.000 0.500 CB 1.060 8 residues pruned to eliminate duplicates Z: 9 9.257 1.627 0.322 0.801 1.000 0.375 CB 1.170 10 residues pruned to eliminate duplicates Z: 8 8.401 1.615 0.562 0.853 1.000 0.571 CB 0.931 8 residues pruned to eliminate duplicates Z: 8 8.753 1.697 0.447 0.819 1.000 0.429 CB 1.021 8 residues pruned to eliminate duplicates Z: 11 9.109 1.781 0.874 0.530 0.800 0.400 CB 1.048 11 residues pruned to eliminate duplicates Z: 7 13.170 1.941 1.053 0.579 0.833 0.667 CB 1.501 9 residues pruned to eliminate duplicates 7 1.725 1.303 0.746 0.374 0.667 0.333 CB 0.531 ? Z: 10 8.257 1.792 0.293 0.665 0.889 0.667 CB 1.147 10 residues pruned to eliminate duplicates Z: 7 3.687 1.820 0.138 0.381 0.667 0.500 CB 1.237 7 residues pruned to eliminate duplicates Z: 10 7.229 1.744 0.191 0.736 0.889 0.667 CB 1.056 10 residues pruned to eliminate duplicates Z: 10 9.929 1.795 0.295 0.718 1.000 0.667 CB 1.169 10 residues pruned to eliminate duplicates Z: 12 7.964 1.633 0.294 0.613 0.909 0.636 CB 1.123 12 residues pruned to eliminate duplicates Z: 11 9.322 1.731 0.229 0.710 1.000 0.700 CB 1.145 11 residues pruned to eliminate duplicates Z: 10 10.272 1.801 0.280 0.733 1.000 0.778 CB 1.204 10 residues pruned to eliminate duplicates Z: 9 12.696 1.877 0.328 0.897 1.000 1.000 CB 1.289 10 residues pruned to eliminate duplicates Z: 9 11.831 1.853 0.279 0.893 1.000 1.000 CB 1.267 9 residues pruned to eliminate duplicates Z: 7 2.896 1.383 0.166 0.410 0.667 0.500 N 1.208 Z: 12 7.775 1.556 0.644 0.893 0.909 0.818 CB 0.724 18 residues pruned to eliminate duplicates Z: 6 3.144 1.523 0.910 0.655 0.600 0.600 CB 0.698 6 residues pruned to eliminate duplicates Z: 7 3.675 1.513 0.895 0.594 0.833 0.500 CB 0.574 7 residues pruned to eliminate duplicates Z: 12 7.361 1.566 0.406 0.550 0.818 0.455 CB 1.174 12 residues pruned to eliminate duplicates Z: 30 15.577 1.680 0.495 0.509 0.897 0.621 CB 1.273 35 residues pruned to eliminate duplicates Z: 14 7.737 1.598 0.605 0.687 0.692 0.462 CB 1.019 14 residues pruned to eliminate duplicates Z: 26 12.068 1.687 0.410 0.598 0.840 0.600 CB 1.100 12 residues pruned to eliminate duplicates Z: 13 7.109 1.589 0.595 0.833 0.750 0.583 CB 0.810 13 residues pruned to eliminate duplicates Z: 8 5.712 1.556 0.681 0.591 0.714 0.429 CB 1.059 8 residues pruned to eliminate duplicates Z: 11 7.877 1.582 0.522 0.683 0.700 0.500 CB 1.249 11 residues pruned to eliminate duplicates Z: 10 5.370 1.436 0.754 0.467 0.667 0.333 CB 1.102 10 residues pruned to eliminate duplicates Z: 9 9.181 1.447 0.673 0.795 1.000 0.500 CB 1.036 9 residues pruned to eliminate duplicates Z: 7 5.720 1.600 0.634 0.849 0.833 0.500 CB 0.795 Z: 11 9.514 1.572 0.842 0.860 0.900 0.800 CB 0.849 18 residues pruned to eliminate duplicates Z: 13 6.633 1.599 0.751 0.697 0.583 0.417 CB 0.979 9 residues pruned to eliminate duplicates Z: 10 8.380 1.692 0.552 0.777 0.889 0.444 CB 0.938 9 residues pruned to eliminate duplicates Z: 12 8.208 1.696 0.473 0.628 0.818 0.636 CB 1.073 10 residues pruned to eliminate duplicates Z: 9 12.530 1.751 0.619 0.878 1.000 0.625 CB 1.134 11 residues pruned to eliminate duplicates Z: 8 12.101 1.799 0.721 0.882 1.000 0.857 CB 1.069 8 residues pruned to eliminate duplicates Z: 12 7.193 1.657 0.525 0.519 0.727 0.545 CB 1.159 16 residues pruned to eliminate duplicates Z: 10 13.016 1.771 0.493 0.882 1.000 0.889 CB 1.187 12 residues pruned to eliminate duplicates Z: 10 13.402 1.766 0.621 0.911 1.000 0.889 CB 1.106 10 residues pruned to eliminate duplicates Z: 10 10.058 1.625 0.578 0.821 1.000 0.444 CB 0.989 9 residues pruned to eliminate duplicates Z: 10 13.874 1.772 0.668 0.875 1.000 0.667 CB 1.138 10 residues pruned to eliminate duplicates Z: 13 8.223 1.621 0.533 0.651 0.833 0.417 CB 0.996 13 residues pruned to eliminate duplicates Z: 9 11.755 1.657 0.550 0.809 1.000 0.750 CB 1.236 8 residues pruned to eliminate duplicates Z: 10 11.745 1.689 0.685 0.759 0.889 0.778 CB 1.229 10 residues pruned to eliminate duplicates Z: 10 14.429 1.511 0.950 0.886 1.000 0.667 N 1.178 8 residues pruned to eliminate duplicates Z: 7 11.609 1.682 0.981 0.732 0.833 0.667 O 1.385 7 residues pruned to eliminate duplicates Z: 8 6.772 1.672 0.596 0.432 0.857 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 7 11.501 1.664 0.944 0.785 0.833 0.500 N 1.356 7 residues pruned to eliminate duplicates Z: 8 7.148 1.572 0.476 0.504 0.857 0.571 CA 1.354 8 residues pruned to eliminate duplicates Z: 6 4.428 1.512 0.752 0.718 1.000 0.600 CB 0.614 8 residues pruned to eliminate duplicates Z: 7 6.368 1.410 0.844 0.767 1.000 0.667 CB 0.789 6 residues pruned to eliminate duplicates Z: 6 5.640 1.602 0.819 0.640 1.000 0.400 CB 0.759 6 residues pruned to eliminate duplicates Z: 7 7.145 1.643 0.427 0.846 0.833 0.667 CB 1.109 8 residues pruned to eliminate duplicates Z: 8 5.001 1.521 0.400 0.665 0.857 0.429 CB 0.889 8 residues pruned to eliminate duplicates Z: 10 6.386 1.682 0.326 0.508 0.889 0.444 CB 1.065 10 residues pruned to eliminate duplicates Z: 12 6.514 1.679 0.091 0.564 0.909 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 24 12.801 1.774 0.455 0.405 0.957 0.522 CB 1.195 23 residues pruned to eliminate duplicates Z: 17 12.673 1.668 0.518 0.728 0.938 0.688 CB 1.087 14 residues pruned to eliminate duplicates Z: 8 3.924 1.341 0.915 0.547 1.000 0.714 CB 0.551 8 residues pruned to eliminate duplicates Z: 20 8.464 1.786 0.380 0.315 0.842 0.474 CB 1.147 20 residues pruned to eliminate duplicates Z: 22 8.425 1.718 0.460 0.325 0.762 0.524 CB 1.165 22 residues pruned to eliminate duplicates Z: 8 6.754 1.886 0.558 0.142 1.000 0.714 CB 1.353 2 residues pruned to eliminate duplicates Z: 10 9.495 1.825 0.331 0.653 1.000 0.556 CB 1.130 10 residues pruned to eliminate duplicates Z: 16 8.166 1.784 0.534 0.297 0.867 0.733 CB 1.115 31 residues pruned to eliminate duplicates Z: 12 12.685 1.633 0.586 0.849 1.000 0.909 CB 1.095 13 residues pruned to eliminate duplicates Z: 11 8.553 1.686 0.381 0.877 1.000 0.900 CB 0.844 10 residues pruned to eliminate duplicates Z: 11 9.224 1.682 0.430 0.913 1.000 0.700 CB 0.858 11 residues pruned to eliminate duplicates Z: 18 12.584 1.778 0.451 0.575 0.941 0.706 CB 1.169 18 residues pruned to eliminate duplicates Z: 13 12.074 1.699 0.385 0.902 1.000 1.000 CB 1.056 12 residues pruned to eliminate duplicates Z: 12 10.041 1.728 0.560 0.859 0.909 0.818 CB 0.909 12 residues pruned to eliminate duplicates Z: 18 12.706 1.758 0.474 0.603 0.941 0.941 CB 1.146 18 residues pruned to eliminate duplicates Z: 19 8.157 1.788 0.343 0.431 0.722 0.667 CB 1.191 19 residues pruned to eliminate duplicates Z: 9 4.872 1.596 0.626 0.516 0.875 0.625 CB 0.746 9 residues pruned to eliminate duplicates Z: 28 13.519 1.700 0.429 0.490 1.000 0.704 CB 1.081 28 residues pruned to eliminate duplicates 6 1.437 1.478 0.204 0.199 0.600 0.000 N 0.861 ? Z: 7 4.601 1.567 0.595 0.401 0.833 0.667 CB 1.001 Z: 10 12.800 1.718 0.576 0.758 1.000 0.667 O 1.252 16 residues pruned to eliminate duplicates Z: 12 11.571 1.720 0.539 0.785 0.909 0.909 CB 1.128 12 residues pruned to eliminate duplicates Z: 11 9.756 1.750 0.576 0.473 0.800 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 19 13.647 1.717 0.475 0.488 0.944 0.556 O 1.361 18 residues pruned to eliminate duplicates Z: 12 10.922 1.722 0.544 0.758 0.909 0.727 CB 1.083 12 residues pruned to eliminate duplicates Z: 17 10.007 1.688 0.444 0.520 0.750 0.562 CB 1.342 17 residues pruned to eliminate duplicates Z: 13 12.144 1.788 0.484 0.603 0.833 0.750 CB 1.437 13 residues pruned to eliminate duplicates Z: 19 15.213 1.731 0.562 0.506 0.944 0.833 CB 1.395 16 residues pruned to eliminate duplicates Z: 11 11.990 1.703 0.693 0.642 0.900 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 15 14.167 1.841 0.540 0.549 0.857 0.643 CB 1.486 16 residues pruned to eliminate duplicates Z: 14 16.351 1.814 0.568 0.691 0.923 0.769 CB 1.450 14 residues pruned to eliminate duplicates Z: 14 10.785 1.762 0.583 0.535 0.769 0.692 CB 1.347 14 residues pruned to eliminate duplicates Z: 15 13.409 1.788 0.729 0.545 0.786 0.429 N 1.412 15 residues pruned to eliminate duplicates Z: 6 3.579 1.622 0.494 0.235 0.800 0.000 O 1.123 5 residues pruned to eliminate duplicates Z: 7 4.327 1.391 0.513 0.531 1.000 0.500 N 0.814 7 residues pruned to eliminate duplicates Z: 17 11.830 1.683 0.404 0.506 0.875 0.438 CB 1.422 Z: 14 21.492 1.870 0.769 0.780 0.923 0.615 O 1.526 17 residues pruned to eliminate duplicates Z: 15 18.014 1.835 0.654 0.857 0.857 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 15 22.341 1.794 0.858 0.856 0.929 0.714 CB 1.423 14 residues pruned to eliminate duplicates Z: 12 14.199 1.701 0.864 0.641 0.909 0.364 O 1.302 12 residues pruned to eliminate duplicates Z: 23 15.829 1.792 0.689 0.565 0.909 0.636 CB 1.152 23 residues pruned to eliminate duplicates Z: 20 17.429 1.812 0.660 0.617 0.947 0.737 CB 1.256 17 residues pruned to eliminate duplicates Z: 14 22.928 1.910 0.718 0.867 1.000 0.923 CB 1.418 14 residues pruned to eliminate duplicates Z: 19 10.511 1.829 0.487 0.544 0.778 0.500 CB 1.121 15 residues pruned to eliminate duplicates Z: 14 21.141 1.953 0.671 0.839 0.846 0.769 CB 1.586 14 residues pruned to eliminate duplicates Z: 23 17.597 1.797 0.689 0.593 0.955 0.591 CB 1.185 23 residues pruned to eliminate duplicates Z: 15 17.525 1.852 0.457 0.769 0.929 0.571 CB 1.472 15 residues pruned to eliminate duplicates Z: 22 15.868 1.817 0.594 0.540 0.857 0.476 CB 1.341 22 residues pruned to eliminate duplicates Z: 17 8.643 1.781 0.226 0.479 0.812 0.500 CB 1.244 17 residues pruned to eliminate duplicates Z: 17 18.611 1.847 0.662 0.699 1.000 0.562 CB 1.265 17 residues pruned to eliminate duplicates Z: 15 9.682 1.812 0.863 0.366 0.643 0.286 CB 1.376 17 residues pruned to eliminate duplicates Z: 9 6.794 1.466 0.811 0.405 0.875 0.500 N 1.143 Z: 19 21.128 1.875 0.667 0.726 0.889 0.611 CB 1.462 6 residues pruned to eliminate duplicates Z: 20 21.173 1.988 0.576 0.812 0.895 0.789 CB 1.321 19 residues pruned to eliminate duplicates Z: 18 23.639 2.071 0.540 0.847 0.941 0.765 CB 1.419 18 residues pruned to eliminate duplicates Z: 25 23.621 1.960 0.425 0.822 0.958 0.708 CB 1.363 20 residues pruned to eliminate duplicates Z: 24 29.312 2.028 0.663 0.817 0.957 0.783 CB 1.438 24 residues pruned to eliminate duplicates Z: 24 30.015 2.025 0.730 0.883 1.000 0.783 CB 1.292 28 residues pruned to eliminate duplicates Z: 21 22.523 2.004 0.620 0.890 0.950 0.850 CB 1.175 21 residues pruned to eliminate duplicates Z: 49 21.959 1.889 0.484 0.516 0.854 0.458 CB 1.303 49 residues pruned to eliminate duplicates Z: 20 23.025 2.001 0.597 0.836 0.947 0.789 CB 1.306 20 residues pruned to eliminate duplicates Z: 21 21.404 2.034 0.565 0.663 0.900 0.750 CB 1.436 21 residues pruned to eliminate duplicates Z: 17 21.011 2.151 0.552 0.803 0.875 0.812 CB 1.380 17 residues pruned to eliminate duplicates Z: 42 24.205 1.981 0.718 0.553 0.805 0.512 CB 1.311 42 residues pruned to eliminate duplicates Z: 30 20.441 1.922 0.816 0.581 0.828 0.517 CB 1.215 30 residues pruned to eliminate duplicates Z: 33 18.242 1.907 0.699 0.520 0.812 0.375 CB 1.201 33 residues pruned to eliminate duplicates Z: 27 25.017 1.986 0.854 0.653 0.923 0.731 CB 1.252 27 residues pruned to eliminate duplicates Z: 22 18.949 1.901 1.013 0.570 0.762 0.381 CB 1.325 22 residues pruned to eliminate duplicates Z: 40 26.134 1.957 0.748 0.632 0.846 0.436 CB 1.278 40 residues pruned to eliminate duplicates Z: 41 22.220 1.890 0.733 0.578 0.850 0.475 CB 1.171 41 residues pruned to eliminate duplicates Z: 25 25.489 2.036 0.849 0.708 0.875 0.417 CB 1.308 25 residues pruned to eliminate duplicates Z: 40 25.955 1.930 0.758 0.602 0.872 0.436 CB 1.275 40 residues pruned to eliminate duplicates Z: 44 27.324 1.929 0.841 0.581 0.837 0.465 CB 1.296 44 residues pruned to eliminate duplicates Z: 42 29.458 1.958 0.819 0.605 0.878 0.585 CB 1.331 37 residues pruned to eliminate duplicates Z: 21 28.693 2.035 0.888 0.759 0.900 0.800 CB 1.474 21 residues pruned to eliminate duplicates Z: 7 5.094 1.786 0.674 0.241 0.667 0.333 CB 1.408 Z: 6 5.231 1.541 0.970 0.268 0.800 0.400 CB 1.255 13 residues pruned to eliminate duplicates Z: 31 24.778 1.997 0.937 0.682 0.733 0.367 CB 1.349 31 residues pruned to eliminate duplicates Z: 52 28.971 1.896 0.782 0.616 0.863 0.451 CB 1.247 52 residues pruned to eliminate duplicates Z: 43 27.618 1.929 0.918 0.617 0.857 0.500 CB 1.202 43 residues pruned to eliminate duplicates Z: 36 34.357 1.959 0.832 0.690 0.971 0.629 CB 1.400 36 residues pruned to eliminate duplicates Z: 13 14.737 1.899 0.593 0.588 1.000 0.500 CB 1.292 13 residues pruned to eliminate duplicates Z: 8 10.029 1.892 0.574 0.502 0.857 0.714 N 1.482 8 residues pruned to eliminate duplicates Z: 43 30.507 1.950 0.827 0.601 0.881 0.500 CB 1.362 43 residues pruned to eliminate duplicates Z: 11 8.673 1.831 0.491 0.516 0.800 0.600 CB 1.236 11 residues pruned to eliminate duplicates Z: 18 6.535 1.779 0.480 0.369 0.706 0.353 CB 0.981 18 residues pruned to eliminate duplicates Z: 7 2.659 1.600 0.252 0.356 0.667 0.333 CB 0.950 Z: 18 9.969 1.746 0.488 0.620 0.765 0.529 CB 1.087 25 residues pruned to eliminate duplicates Z: 17 15.194 1.937 0.589 0.612 0.875 0.625 CB 1.268 17 residues pruned to eliminate duplicates Z: 19 15.928 1.792 0.777 0.654 0.833 0.667 CB 1.226 19 residues pruned to eliminate duplicates Z: 28 16.085 1.872 0.566 0.577 0.815 0.630 CB 1.204 28 residues pruned to eliminate duplicates Z: 54 29.191 1.908 0.796 0.607 0.868 0.453 CB 1.219 54 residues pruned to eliminate duplicates Z: 14 11.437 1.878 0.550 0.783 0.846 0.538 CB 1.004 14 residues pruned to eliminate duplicates Z: 11 12.168 1.849 1.020 0.720 0.900 0.600 CB 0.938 11 residues pruned to eliminate duplicates Z: 28 21.308 1.879 0.811 0.578 0.852 0.444 CB 1.312 37 residues pruned to eliminate duplicates Z: 13 14.007 1.814 0.768 0.852 0.917 0.417 CB 1.018 13 residues pruned to eliminate duplicates Z: 16 13.745 1.876 0.826 0.681 0.800 0.267 CB 1.097 16 residues pruned to eliminate duplicates Z: 17 11.461 1.895 0.619 0.634 0.750 0.500 CB 1.097 17 residues pruned to eliminate duplicates Z: 15 13.274 1.955 0.704 0.588 0.786 0.571 CB 1.246 15 residues pruned to eliminate duplicates Z: 55 26.780 1.887 0.771 0.602 0.852 0.537 CB 1.162 45 residues pruned to eliminate duplicates Z: 15 14.974 1.838 0.754 0.677 0.786 0.143 CB 1.343 15 residues pruned to eliminate duplicates Z: 22 15.149 1.868 0.680 0.552 0.810 0.381 CB 1.237 22 residues pruned to eliminate duplicates Z: 12 10.330 1.809 0.752 0.441 0.818 0.455 CB 1.276 12 residues pruned to eliminate duplicates Z: 8 11.666 1.969 0.624 0.696 0.857 0.571 CB 1.346 8 residues pruned to eliminate duplicates Z: 7 7.518 1.855 0.614 0.535 0.833 0.500 CB 1.189 7 residues pruned to eliminate duplicates Z: 16 9.980 1.848 0.671 0.468 0.867 0.733 CB 0.995 26 residues pruned to eliminate duplicates Z: 9 8.681 1.781 0.699 0.747 1.000 1.000 CB 0.814 9 residues pruned to eliminate duplicates Z: 10 7.896 1.830 0.578 0.457 0.667 0.444 CB 1.428 10 residues pruned to eliminate duplicates Z: 10 10.661 1.885 1.088 0.453 0.667 0.333 CB 1.421 10 residues pruned to eliminate duplicates Z: 16 10.899 1.912 0.731 0.369 0.800 0.333 CB 1.223 16 residues pruned to eliminate duplicates Z: 15 8.982 1.903 0.499 0.368 0.786 0.357 CB 1.234 15 residues pruned to eliminate duplicates Z: 10 6.035 1.822 0.645 0.316 0.778 0.667 CB 1.058 11 residues pruned to eliminate duplicates Z: 6 3.576 1.651 0.638 0.100 0.800 0.600 N 1.232 6 residues pruned to eliminate duplicates Z: 30 9.479 1.788 0.680 0.251 0.724 0.379 CB 1.077 32 residues pruned to eliminate duplicates Z: 6 7.376 1.625 1.024 0.429 1.000 0.800 CA 1.079 7 residues pruned to eliminate duplicates Z: 11 6.608 1.481 1.157 0.674 0.800 0.400 N 0.697 12 residues pruned to eliminate duplicates Z: 10 14.129 1.937 0.771 0.626 1.000 0.778 CB 1.219 10 residues pruned to eliminate duplicates Z: 15 10.602 1.985 0.735 0.308 0.714 0.357 CB 1.426 15 residues pruned to eliminate duplicates Z: 24 11.312 1.914 0.484 0.386 0.783 0.304 CB 1.197 24 residues pruned to eliminate duplicates Z: 19 12.522 1.936 0.559 0.324 0.833 0.500 CB 1.424 19 residues pruned to eliminate duplicates Z: 8 17.832 2.027 1.028 0.792 1.000 0.571 CB 1.269 8 residues pruned to eliminate duplicates Z: 21 11.478 1.936 0.699 0.329 0.750 0.500 CB 1.255 21 residues pruned to eliminate duplicates Z: 19 11.181 2.000 0.837 0.301 0.722 0.500 CB 1.239 19 residues pruned to eliminate duplicates Z: 19 11.616 1.952 0.507 0.358 0.833 0.389 CB 1.301 19 residues pruned to eliminate duplicates Z: 17 9.806 1.993 0.628 0.371 0.688 0.500 CB 1.261 17 residues pruned to eliminate duplicates Z: 35 20.123 1.960 0.658 0.366 0.912 0.441 CB 1.346 35 residues pruned to eliminate duplicates Z: 27 14.583 1.914 0.580 0.317 0.846 0.538 CB 1.367 27 residues pruned to eliminate duplicates Z: 26 15.330 1.949 0.566 0.304 0.880 0.400 CB 1.419 26 residues pruned to eliminate duplicates Z: 23 11.020 1.860 0.557 0.211 0.773 0.500 CB 1.477 23 residues pruned to eliminate duplicates Z: 26 18.458 1.926 0.692 0.400 1.000 0.520 CB 1.259 26 residues pruned to eliminate duplicates Z: 33 17.809 1.944 0.458 0.342 0.906 0.438 CB 1.456 33 residues pruned to eliminate duplicates Z: 32 14.429 1.866 0.510 0.298 0.839 0.581 CB 1.375 32 residues pruned to eliminate duplicates Z: 36 14.143 1.924 0.667 0.283 0.800 0.400 CB 1.191 34 residues pruned to eliminate duplicates Z: 6 7.217 1.778 0.240 0.428 1.000 0.400 CA 1.577 6 residues pruned to eliminate duplicates Z: 8 4.223 1.865 0.147 0.318 0.857 0.429 CB 1.065 8 residues pruned to eliminate duplicates Z: 35 17.074 1.904 0.684 0.384 0.794 0.412 CB 1.300 35 residues pruned to eliminate duplicates Z: 34 19.676 1.969 0.589 0.448 0.818 0.606 CB 1.412 34 residues pruned to eliminate duplicates Z: 42 18.035 1.937 0.664 0.323 0.780 0.488 CB 1.362 42 residues pruned to eliminate duplicates Z: 9 11.843 1.973 0.307 0.619 1.000 0.625 CB 1.451 9 residues pruned to eliminate duplicates Z: 13 14.085 1.925 0.578 0.654 0.833 0.333 CB 1.393 13 residues pruned to eliminate duplicates Z: 21 13.369 1.905 0.495 0.416 0.850 0.500 CB 1.349 21 residues pruned to eliminate duplicates Z: 33 18.403 1.944 0.572 0.455 0.875 0.438 CB 1.274 33 residues pruned to eliminate duplicates Z: 10 12.597 1.850 0.584 0.481 1.000 0.333 O 1.461 10 residues pruned to eliminate duplicates Z: 12 12.082 2.010 0.634 0.387 0.818 0.636 CB 1.528 12 residues pruned to eliminate duplicates Z: 13 17.337 2.036 0.827 0.578 0.917 0.417 CB 1.361 13 residues pruned to eliminate duplicates Z: 13 12.535 1.995 0.693 0.618 0.750 0.333 CB 1.278 13 residues pruned to eliminate duplicates Z: 16 11.946 1.919 0.775 0.545 0.667 0.267 CB 1.300 16 residues pruned to eliminate duplicates Z: 10 3.657 1.710 0.397 0.571 0.667 0.556 CB 0.715 10 residues pruned to eliminate duplicates Z: 18 11.068 1.902 0.203 0.627 0.765 0.471 CB 1.362 18 residues pruned to eliminate duplicates Z: 17 15.930 1.937 0.508 0.720 0.875 0.625 CB 1.277 17 residues pruned to eliminate duplicates Z: 33 20.916 1.868 0.570 0.635 0.906 0.500 CB 1.226 33 residues pruned to eliminate duplicates Z: 6 5.019 1.737 0.402 0.737 0.600 0.200 CB 1.242 6 residues pruned to eliminate duplicates Z: 28 14.679 1.859 0.561 0.455 0.815 0.444 CB 1.251 28 residues pruned to eliminate duplicates Z: 18 11.450 1.809 0.367 0.532 0.824 0.235 CB 1.322 18 residues pruned to eliminate duplicates Z: 11 9.970 1.645 0.549 0.609 0.900 0.400 CB 1.239 8 residues pruned to eliminate duplicates Z: 9 5.643 1.615 0.652 0.685 0.750 0.500 CB 0.842 9 residues pruned to eliminate duplicates Z: 12 10.577 1.591 0.560 0.673 0.909 0.636 N 1.204 10 residues pruned to eliminate duplicates Z: 8 9.039 1.644 0.840 0.672 0.857 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 11 8.514 1.695 0.378 0.634 0.900 0.600 CB 1.129 11 residues pruned to eliminate duplicates Z: 24 9.293 1.591 0.435 0.451 0.826 0.304 CB 1.080 12 residues pruned to eliminate duplicates Z: 14 8.029 1.678 0.631 0.711 0.769 0.615 CB 0.874 14 residues pruned to eliminate duplicates Z: 8 2.746 1.594 0.263 0.543 0.571 0.286 CB 0.865 8 residues pruned to eliminate duplicates Z: 23 12.087 1.690 0.459 0.546 0.818 0.455 CB 1.222 39 residues pruned to eliminate duplicates Z: 10 5.128 1.571 0.629 0.756 0.667 0.556 CB 0.798 10 residues pruned to eliminate duplicates Z: 17 11.822 1.607 0.721 0.703 0.812 0.438 CB 1.094 17 residues pruned to eliminate duplicates Z: 10 7.178 1.620 0.719 0.439 0.667 0.556 CB 1.372 10 residues pruned to eliminate duplicates Z: 17 7.717 1.715 0.186 0.533 0.688 0.312 CB 1.335 17 residues pruned to eliminate duplicates Z: 18 8.025 1.703 0.400 0.437 0.647 0.353 CB 1.346 18 residues pruned to eliminate duplicates Z: 24 9.083 1.677 0.428 0.382 0.739 0.348 CB 1.214 20 residues pruned to eliminate duplicates Z: 13 9.834 1.611 0.788 0.693 0.833 0.333 CB 0.991 13 residues pruned to eliminate duplicates Z: 12 4.077 1.706 0.221 0.448 0.636 0.273 CB 0.979 12 residues pruned to eliminate duplicates Z: 12 5.683 1.726 0.299 0.334 0.727 0.091 CB 1.261 12 residues pruned to eliminate duplicates Z: 16 5.082 1.635 0.176 0.328 0.733 0.333 N 1.124 16 residues pruned to eliminate duplicates Z: 13 2.758 1.681 0.228 0.296 0.417 0.167 CB 1.163 13 residues pruned to eliminate duplicates Z: 13 4.285 1.628 0.219 0.363 0.583 0.167 CB 1.238 13 residues pruned to eliminate duplicates Z: 19 6.067 1.673 0.208 0.306 0.778 0.222 N 1.128 19 residues pruned to eliminate duplicates 6 1.722 1.443 0.116 0.221 0.600 0.400 CB 1.105 ? Z: 20 10.552 1.707 0.552 0.552 0.842 0.421 CB 1.031 20 residues pruned to eliminate duplicates Z: 6 2.807 1.534 0.256 0.577 0.600 0.200 N 1.008 6 residues pruned to eliminate duplicates Z: 7 4.806 1.600 0.525 0.727 0.667 0.500 CB 0.983 7 residues pruned to eliminate duplicates Z: 6 2.406 1.784 0.531 0.561 0.400 0.000 CB 0.928 6 residues pruned to eliminate duplicates Z: 8 4.373 1.825 0.273 0.471 0.714 0.429 CB 1.026 8 residues pruned to eliminate duplicates Z: 6 4.638 1.879 0.403 0.448 0.600 0.400 CB 1.383 6 residues pruned to eliminate duplicates Z: 15 5.706 1.739 0.386 0.422 0.643 0.286 CB 1.067 15 residues pruned to eliminate duplicates Z: 18 5.930 1.691 0.414 0.425 0.706 0.235 CB 0.921 18 residues pruned to eliminate duplicates Z: 7 4.452 1.589 0.532 0.587 0.833 0.333 CB 0.824 7 residues pruned to eliminate duplicates Z: 18 5.420 1.711 0.368 0.386 0.706 0.353 CB 0.898 18 residues pruned to eliminate duplicates Z: 17 6.761 1.699 0.537 0.399 0.688 0.250 CB 1.048 17 residues pruned to eliminate duplicates Z: 20 6.598 1.610 0.432 0.380 0.737 0.421 CB 1.012 19 residues pruned to eliminate duplicates Z: 10 5.600 1.705 0.357 0.507 0.778 0.333 CB 1.030 10 residues pruned to eliminate duplicates Z: 29 11.539 1.779 0.386 0.425 0.821 0.357 CB 1.165 29 residues pruned to eliminate duplicates Z: 19 9.992 1.768 0.457 0.433 0.778 0.500 CB 1.260 19 residues pruned to eliminate duplicates Z: 17 8.275 1.811 0.424 0.400 0.750 0.375 CB 1.188 Z: 7 3.892 1.407 0.264 0.426 1.000 0.833 N 0.965 7 residues pruned to eliminate duplicates Z: 11 8.642 1.852 0.238 0.478 0.800 0.600 O 1.524 10 residues pruned to eliminate duplicates Z: 6 4.178 1.365 0.792 0.443 0.800 0.600 N 1.013 Z: 17 11.068 1.791 0.637 0.674 0.688 0.562 CB 1.169 17 residues pruned to eliminate duplicates Z: 14 7.230 1.752 0.440 0.325 0.769 0.692 CB 1.253 10 residues pruned to eliminate duplicates Z: 18 22.554 1.840 0.869 0.859 0.941 0.824 CB 1.243 19 residues pruned to eliminate duplicates Z: 16 22.066 1.890 0.904 0.814 0.933 0.667 CB 1.291 16 residues pruned to eliminate duplicates Z: 16 4.860 1.689 0.305 0.358 0.600 0.267 CB 1.106 16 residues pruned to eliminate duplicates Z: 11 13.623 1.862 0.652 0.668 1.000 0.700 CB 1.198 14 residues pruned to eliminate duplicates Z: 17 15.302 1.851 0.821 0.829 0.812 0.562 CB 1.051 17 residues pruned to eliminate duplicates Z: 12 10.705 1.787 0.543 0.512 0.818 0.364 CB 1.414 12 residues pruned to eliminate duplicates Z: 12 10.955 1.837 0.649 0.532 0.818 0.455 CB 1.292 12 residues pruned to eliminate duplicates Z: 13 13.512 1.789 0.523 0.605 1.000 0.417 CB 1.295 13 residues pruned to eliminate duplicates Z: 20 10.741 1.838 0.477 0.525 0.789 0.632 CB 1.122 14 residues pruned to eliminate duplicates Z: 16 12.575 1.876 0.660 0.831 0.733 0.667 CB 1.069 16 residues pruned to eliminate duplicates Z: 19 12.401 1.861 0.436 0.646 0.778 0.389 CB 1.227 19 residues pruned to eliminate duplicates Z: 18 9.829 1.746 0.641 0.480 0.765 0.412 CB 1.111 18 residues pruned to eliminate duplicates Z: 21 9.642 1.814 0.453 0.458 0.750 0.500 CB 1.139 46 residues pruned to eliminate duplicates Z: 24 17.217 1.831 0.774 0.651 0.870 0.609 CB 1.105 25 residues pruned to eliminate duplicates 957 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 6 D: 8 E: 6 F: 13 G: 16 H: 65 I: 9 J: 18 K: 10 L: 51 M: 26 N: 21 O: 8 P: 11 Q: 11 R: 20 S: 16 T: 9 U: 10 V: 13 W: 9 X: 24 Y: 10 Z: 40 Z: 17 Z: 8 Z: 10 Z: 9 Z: 10 Z: 7 Z: 11 Z: 11 Z: 32 Z: 19 Z: 92 Z: 92 Z: 30 Z: 115 Z: 15 Z: 34 CC for partial structure against native data = 36.57 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.558, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.642, Connect. = 0.747 for dens.mod. cycle 2 = 0.300, Contrast = 0.745, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.760, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.772, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.777, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.781, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.782, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.782, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.781, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3853 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 991 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 19.884 1.904 0.662 0.907 1.000 1.000 CB 1.412 B: 20 9.116 1.779 0.521 0.383 0.684 0.474 CB 1.278 C: 17 7.369 1.783 0.695 0.422 0.750 0.375 CB 0.882 D: 8 17.862 2.189 0.502 0.837 1.000 0.857 CB 1.536 8 residues pruned to eliminate duplicates E: 12 14.000 2.012 0.670 0.610 0.909 0.727 CB 1.246 F: 10 8.792 1.753 0.486 0.555 0.778 0.444 CB 1.372 10 residues pruned to eliminate duplicates G: 22 10.027 1.746 0.483 0.435 0.810 0.429 CB 1.116 H: 24 31.219 2.001 0.689 0.878 1.000 0.870 CB 1.398 I: 16 28.993 1.981 0.894 0.885 1.000 0.733 CB 1.440 11 residues pruned to eliminate duplicates J: 12 4.845 1.766 0.153 0.450 0.636 0.455 CB 1.186 12 residues pruned to eliminate duplicates K: 8 5.916 1.961 0.128 0.459 0.857 0.429 CB 1.229 L: 30 17.313 1.854 0.572 0.499 0.828 0.345 CB 1.334 M: 19 27.214 2.070 0.667 0.842 0.944 0.778 CB 1.467 19 residues pruned to eliminate duplicates N: 11 7.927 1.735 0.363 0.516 0.900 0.600 CB 1.159 O: 20 16.585 1.785 0.636 0.822 0.895 0.632 CB 1.102 P: 13 17.421 1.916 0.461 0.869 0.917 0.667 O 1.432 Q: 20 10.262 1.853 0.356 0.534 0.684 0.421 CB 1.325 12 residues pruned to eliminate duplicates R: 24 26.764 2.010 0.720 0.830 0.913 0.783 CB 1.330 24 residues pruned to eliminate duplicates S: 6 10.237 1.954 0.354 0.620 1.000 0.600 CB 1.546 T: 10 11.614 1.566 0.759 0.723 1.000 0.556 CB 1.149 U: 24 33.029 2.006 0.871 0.904 0.957 0.826 CB 1.367 24 residues pruned to eliminate duplicates V: 6 7.730 1.663 0.387 0.755 1.000 0.600 CB 1.194 6 residues pruned to eliminate duplicates W: 16 17.750 1.855 0.571 0.809 0.933 0.600 CB 1.288 X: 21 24.400 2.026 0.436 0.923 1.000 0.900 O 1.318 21 residues pruned to eliminate duplicates Y: 20 32.451 1.972 1.060 0.894 0.947 0.421 CB 1.387 20 residues pruned to eliminate duplicates Z: 15 13.654 1.480 0.587 0.861 0.929 0.786 CB 1.229 Z: 13 12.561 1.802 0.564 0.759 0.917 0.583 CB 1.115 Z: 6 5.230 1.836 0.188 0.473 0.800 0.800 O 1.376 Z: 31 18.399 1.860 0.521 0.656 0.933 0.467 CB 1.100 30 residues pruned to eliminate duplicates Z: 9 5.243 1.784 0.169 0.766 1.000 0.875 CB 0.702 Z: 10 5.242 1.727 0.052 0.456 0.889 0.444 CB 1.132 Z: 32 12.873 1.779 0.477 0.468 0.806 0.387 CB 1.128 38 residues pruned to eliminate duplicates Z: 21 18.197 1.793 0.545 0.848 1.000 0.900 CB 1.090 21 residues pruned to eliminate duplicates Z: 25 27.732 1.997 0.822 0.669 0.958 0.583 CB 1.388 13 residues pruned to eliminate duplicates Z: 8 7.404 1.694 0.536 0.893 1.000 0.571 CB 0.772 Z: 16 10.839 1.559 0.568 0.814 0.933 0.600 CB 0.934 Z: 9 8.734 1.899 0.348 0.730 0.750 0.625 CB 1.308 10 residues pruned to eliminate duplicates Z: 15 10.908 1.777 0.284 0.526 0.857 0.643 CB 1.452 Z: 25 25.453 1.976 0.856 0.808 0.917 0.500 CB 1.181 24 residues pruned to eliminate duplicates Z: 15 28.937 1.985 0.908 0.913 1.000 1.000 CB 1.445 15 residues pruned to eliminate duplicates Z: 39 28.502 1.955 0.858 0.581 0.842 0.553 CB 1.398 63 residues pruned to eliminate duplicates Z: 14 17.136 1.776 0.617 0.886 1.000 0.769 CB 1.194 Z: 8 8.321 1.860 0.399 0.511 1.000 0.571 CB 1.196 Z: 19 23.016 1.896 0.513 0.877 1.000 0.889 CB 1.373 20 residues pruned to eliminate duplicates Z: 8 13.342 1.629 0.942 0.660 1.000 0.571 CB 1.375 8 residues pruned to eliminate duplicates Z: 11 10.548 1.844 0.288 0.909 1.000 0.700 CB 0.997 Z: 8 14.177 1.627 0.992 0.780 1.000 0.714 CB 1.291 Z: 13 9.367 1.658 0.465 0.733 0.833 0.833 CB 1.084 Z: 15 19.211 1.803 0.680 0.885 1.000 0.929 CB 1.224 Z: 18 13.053 2.042 0.183 0.422 0.882 0.529 CB 1.611 6 residues pruned to eliminate duplicates Z: 14 7.136 1.840 0.150 0.411 0.769 0.615 CB 1.334 Z: 6 7.588 1.548 0.400 0.781 1.000 0.800 CB 1.223 Z: 6 8.066 1.961 0.313 0.638 0.800 0.600 CB 1.538 Z: 7 2.828 1.644 0.568 0.246 0.500 0.333 O 1.201 Z: 6 11.622 1.778 0.814 0.761 0.800 0.600 CB 1.597 6 residues pruned to eliminate duplicates Z: 12 20.425 1.936 0.840 0.846 0.909 0.818 CB 1.414 12 residues pruned to eliminate duplicates Z: 10 8.448 1.812 0.997 0.885 0.889 0.778 CB 0.632 Z: 26 22.798 1.924 0.618 0.673 0.960 0.480 CB 1.300 30 residues pruned to eliminate duplicates Z: 20 22.657 1.832 0.675 0.912 1.000 0.947 CB 1.200 20 residues pruned to eliminate duplicates Z: 11 5.366 1.848 0.379 0.283 0.900 0.600 CB 0.945 Z: 12 7.728 1.655 0.206 0.736 0.818 0.636 CB 1.155 11 residues pruned to eliminate duplicates Z: 8 7.899 1.896 0.633 0.699 0.714 0.714 CB 1.126 Z: 13 16.460 1.810 0.523 0.860 1.000 0.750 O 1.268 16 residues pruned to eliminate duplicates Z: 6 6.900 1.690 0.403 0.708 1.000 0.600 CB 1.077 Z: 10 6.355 1.926 0.247 0.452 0.667 0.444 CB 1.389 10 residues pruned to eliminate duplicates Z: 24 10.529 1.809 0.472 0.374 0.783 0.478 CB 1.206 24 residues pruned to eliminate duplicates Z: 7 3.578 1.725 0.148 0.767 0.667 0.667 CB 0.873 7 residues pruned to eliminate duplicates Z: 7 10.566 1.883 0.500 0.656 0.833 0.667 N 1.586 Z: 9 11.455 1.877 0.408 0.798 0.875 0.750 CB 1.349 Z: 20 24.214 1.856 0.750 0.911 1.000 0.947 CB 1.212 19 residues pruned to eliminate duplicates Z: 19 24.331 1.869 0.780 0.878 1.000 0.778 CB 1.252 20 residues pruned to eliminate duplicates Z: 8 5.282 1.578 0.621 0.653 0.714 0.714 CB 0.948 Z: 11 7.165 1.815 0.411 0.235 0.900 0.600 CB 1.338 Z: 50 28.693 1.920 0.783 0.641 0.878 0.429 CB 1.196 50 residues pruned to eliminate duplicates Z: 8 9.020 1.677 0.575 0.724 1.000 0.571 CB 1.054 Z: 9 8.209 1.900 0.450 0.567 0.875 0.875 CB 1.128 Z: 6 5.956 1.693 0.430 0.611 0.800 0.400 O 1.238 Z: 21 29.751 2.068 0.765 0.904 0.950 0.750 CB 1.367 21 residues pruned to eliminate duplicates Z: 7 3.813 1.709 0.875 0.262 0.667 0.333 N 0.957 Z: 12 12.563 1.825 0.491 0.848 0.818 0.545 CB 1.262 12 residues pruned to eliminate duplicates Z: 8 9.294 1.863 0.438 0.897 1.000 0.857 CB 0.938 8 residues pruned to eliminate duplicates Z: 7 3.983 1.644 0.304 0.433 0.667 0.500 CB 1.220 Z: 7 6.096 1.597 0.669 0.528 0.667 0.667 CB 1.362 Z: 8 4.914 1.692 0.481 0.660 0.714 0.571 CB 0.895 8 residues pruned to eliminate duplicates Z: 10 4.861 1.782 0.191 0.430 0.667 0.444 CB 1.232 Z: 19 23.943 1.864 0.683 0.879 1.000 0.889 CB 1.305 19 residues pruned to eliminate duplicates Z: 12 4.358 1.789 0.247 0.300 0.636 0.455 CB 1.157 12 residues pruned to eliminate duplicates Z: 12 11.431 1.695 0.846 0.536 0.818 0.636 O 1.299 9 residues pruned to eliminate duplicates Z: 6 2.262 1.908 0.057 0.460 0.800 0.400 CB 0.653 Z: 20 8.038 1.856 0.228 0.366 0.789 0.368 CB 1.184 22 residues pruned to eliminate duplicates Z: 6 3.844 1.422 0.299 0.739 0.800 0.800 CB 0.939 Z: 37 16.442 1.758 0.538 0.470 0.833 0.444 CB 1.254 23 residues pruned to eliminate duplicates Z: 6 3.151 1.719 0.031 0.425 0.800 0.600 CB 1.075 6 residues pruned to eliminate duplicates Z: 12 5.253 1.488 0.104 0.533 0.818 0.364 CB 1.141 Z: 25 30.588 1.943 0.827 0.901 0.958 0.667 CB 1.310 25 residues pruned to eliminate duplicates Z: 8 4.683 1.608 0.836 0.304 0.714 0.286 CB 1.044 Z: 14 12.226 1.765 0.259 0.906 1.000 1.000 CB 1.085 Z: 14 21.533 1.906 0.708 0.849 1.000 0.769 CB 1.360 13 residues pruned to eliminate duplicates Z: 11 7.331 1.749 0.240 0.836 1.000 0.800 CB 0.800 11 residues pruned to eliminate duplicates Z: 8 8.881 1.530 0.546 0.823 1.000 0.571 CB 1.072 6 residues pruned to eliminate duplicates Z: 35 17.821 1.860 0.508 0.586 0.824 0.618 CB 1.219 23 residues pruned to eliminate duplicates Z: 8 8.110 1.942 0.574 0.826 0.857 0.857 CB 0.882 8 residues pruned to eliminate duplicates Z: 31 35.579 2.081 0.829 0.759 0.900 0.533 CB 1.507 33 residues pruned to eliminate duplicates Z: 11 5.643 1.720 0.409 0.822 0.900 0.800 CB 0.619 7 residues pruned to eliminate duplicates Z: 6 5.410 1.781 -0.220 0.575 1.000 0.400 CA 1.620 6 residues pruned to eliminate duplicates Z: 9 16.177 1.866 0.679 0.865 1.000 1.000 CB 1.338 9 residues pruned to eliminate duplicates Z: 12 7.816 1.720 0.206 0.836 0.909 0.818 CB 0.936 Z: 15 10.660 1.790 0.458 0.584 0.929 0.857 CB 1.084 Z: 11 15.454 1.925 0.647 0.829 0.900 0.700 CB 1.288 11 residues pruned to eliminate duplicates 10 1.430 1.578 0.843 0.271 0.333 0.222 CB 0.638 ? Z: 6 2.856 1.519 0.319 0.643 0.800 0.600 CB 0.697 Z: 6 3.448 1.761 0.440 0.235 0.800 0.200 CB 1.034 6 residues pruned to eliminate duplicates Z: 13 8.533 1.525 0.269 0.564 1.000 0.667 N 1.196 Z: 7 3.595 1.636 0.297 0.279 0.667 0.333 CB 1.332 Z: 14 10.883 1.673 0.595 0.570 0.846 0.692 O 1.249 14 residues pruned to eliminate duplicates Z: 6 8.569 1.687 1.021 0.847 0.800 0.400 CB 1.042 7 residues pruned to eliminate duplicates Z: 11 8.619 1.651 0.114 0.835 1.000 0.800 O 1.110 8 residues pruned to eliminate duplicates Z: 13 9.833 1.742 0.298 0.544 0.917 0.667 CB 1.312 13 residues pruned to eliminate duplicates Z: 9 2.726 1.404 0.773 0.173 0.625 0.375 CB 0.920 7 1.888 1.831 0.064 0.289 0.667 0.500 CB 0.752 ? Z: 40 19.927 1.893 0.578 0.516 0.897 0.641 CB 1.171 50 residues pruned to eliminate duplicates Z: 9 11.258 1.756 0.580 0.800 0.875 0.750 CB 1.261 8 residues pruned to eliminate duplicates Z: 14 12.436 1.855 0.234 0.888 1.000 0.769 CB 1.085 14 residues pruned to eliminate duplicates Z: 9 2.078 1.618 0.044 0.187 0.750 0.500 CB 0.845 Z: 7 10.628 1.856 0.774 0.682 1.000 0.833 CB 1.115 Z: 18 23.028 2.076 0.374 0.849 1.000 0.765 CB 1.451 18 residues pruned to eliminate duplicates Z: 8 3.877 1.592 0.203 0.214 0.857 0.571 C 1.251 8 residues pruned to eliminate duplicates Z: 10 8.135 1.627 0.422 0.813 0.778 0.667 N 1.147 10 residues pruned to eliminate duplicates Z: 12 7.140 1.791 0.739 0.244 0.818 0.273 CB 1.136 Z: 15 20.241 1.864 0.989 0.773 0.857 0.643 CB 1.338 15 residues pruned to eliminate duplicates Z: 45 22.656 1.879 0.616 0.519 0.841 0.523 CB 1.313 45 residues pruned to eliminate duplicates Z: 7 7.340 1.634 0.122 0.793 1.000 0.500 N 1.264 7 residues pruned to eliminate duplicates 7 1.460 1.911 0.489 0.826 1.000 0.833 CB 0.158 ? Z: 20 17.625 1.811 0.495 0.825 1.000 0.737 CB 1.127 20 residues pruned to eliminate duplicates Z: 12 5.721 1.622 0.399 0.364 0.727 0.364 CB 1.209 8 residues pruned to eliminate duplicates Z: 14 11.439 1.776 0.326 0.823 1.000 0.846 CB 1.019 14 residues pruned to eliminate duplicates Z: 15 18.798 1.872 0.644 0.766 0.929 0.714 CB 1.389 15 residues pruned to eliminate duplicates Z: 10 8.167 1.609 0.326 0.887 1.000 0.889 CB 0.920 Z: 24 24.788 1.937 0.713 0.872 0.913 0.783 CB 1.244 24 residues pruned to eliminate duplicates Z: 7 5.102 1.559 0.801 0.333 0.833 0.667 O 1.068 Z: 8 6.698 1.843 0.255 0.570 0.714 0.571 N 1.432 8 residues pruned to eliminate duplicates Z: 11 2.356 1.514 0.181 0.206 0.600 0.300 CB 0.983 Z: 12 15.779 1.954 0.527 0.872 0.909 0.909 CB 1.279 11 residues pruned to eliminate duplicates Z: 6 4.378 1.526 0.021 0.835 1.000 0.800 CB 0.941 Z: 14 11.210 1.689 0.574 0.853 1.000 0.769 CB 0.864 11 residues pruned to eliminate duplicates Z: 17 11.239 1.784 0.807 0.776 0.938 0.625 CB 0.728 10 residues pruned to eliminate duplicates Z: 7 3.875 1.495 0.532 0.405 0.667 0.333 CB 1.145 Z: 12 5.772 1.538 0.621 0.671 0.727 0.545 CB 0.820 Z: 36 25.530 1.979 0.694 0.557 0.857 0.629 CB 1.420 36 residues pruned to eliminate duplicates Z: 9 10.126 1.728 0.613 0.874 1.000 0.875 CB 0.935 10 residues pruned to eliminate duplicates Z: 13 6.319 1.695 0.206 0.694 0.833 0.500 CB 0.897 12 residues pruned to eliminate duplicates Z: 8 5.071 1.697 0.074 0.538 0.857 0.571 CB 1.182 8 residues pruned to eliminate duplicates Z: 9 4.091 1.563 0.271 0.647 0.750 0.500 CB 0.846 Z: 13 12.402 1.828 0.380 0.867 0.917 0.833 CB 1.133 17 residues pruned to eliminate duplicates Z: 14 11.240 1.589 0.511 0.791 0.923 0.615 O 1.090 14 residues pruned to eliminate duplicates Z: 9 13.236 1.908 0.555 0.773 0.875 0.625 CB 1.416 8 residues pruned to eliminate duplicates Z: 11 4.342 1.584 0.283 0.299 0.800 0.500 CB 1.056 11 residues pruned to eliminate duplicates Z: 9 7.109 1.830 0.086 0.585 0.875 0.625 CB 1.333 9 residues pruned to eliminate duplicates Z: 17 11.513 1.740 0.348 0.673 0.875 0.625 CB 1.195 17 residues pruned to eliminate duplicates Z: 8 10.781 1.690 0.610 0.768 0.857 0.714 O 1.378 8 residues pruned to eliminate duplicates Z: 16 17.033 1.833 0.789 0.798 0.867 0.867 CB 1.192 16 residues pruned to eliminate duplicates Z: 9 9.002 1.629 0.483 0.871 0.875 0.625 CB 1.098 Z: 10 5.614 1.667 -0.030 0.422 0.889 0.333 CB 1.413 Z: 16 16.978 1.788 0.982 0.766 0.800 0.600 CB 1.222 16 residues pruned to eliminate duplicates Z: 7 2.598 1.310 1.111 0.250 0.667 0.500 N 0.767 Z: 6 2.284 1.466 0.379 0.295 0.600 0.600 N 1.060 Z: 21 21.564 1.668 0.940 0.887 0.950 0.550 CB 1.131 21 residues pruned to eliminate duplicates Z: 7 9.036 1.893 0.374 0.482 1.000 0.500 CB 1.445 Z: 14 19.557 2.038 0.922 0.798 0.923 0.692 CB 1.156 14 residues pruned to eliminate duplicates Z: 9 9.856 1.772 0.402 0.765 0.875 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 27 8.680 1.760 0.294 0.460 0.731 0.385 CB 1.065 6 residues pruned to eliminate duplicates Z: 14 10.816 1.626 0.629 0.819 0.923 0.769 CB 0.930 9 residues pruned to eliminate duplicates Z: 12 5.467 1.589 0.719 0.332 0.727 0.455 CB 0.997 Z: 8 7.561 1.806 0.784 0.460 1.000 0.714 CB 0.924 8 residues pruned to eliminate duplicates Z: 6 4.619 1.619 0.555 0.391 0.800 0.600 CB 1.151 Z: 6 11.956 1.778 0.818 0.865 1.000 0.800 CB 1.211 6 residues pruned to eliminate duplicates Z: 8 3.478 1.473 0.572 0.283 0.714 0.286 CB 1.014 Z: 8 5.164 1.919 0.506 0.768 1.000 0.571 CB 0.533 8 residues pruned to eliminate duplicates Z: 20 11.791 1.778 0.605 0.390 0.789 0.421 CB 1.349 20 residues pruned to eliminate duplicates Z: 9 4.208 1.497 0.251 0.419 1.000 0.500 CB 0.864 Z: 7 4.636 1.650 0.744 0.803 0.833 0.667 CB 0.606 7 residues pruned to eliminate duplicates Z: 6 3.135 1.652 -0.070 0.434 0.800 0.400 CB 1.221 Z: 7 5.378 1.684 0.709 0.618 0.667 0.500 O 1.023 7 residues pruned to eliminate duplicates Z: 11 6.473 1.767 0.131 0.741 0.900 0.800 CB 0.917 11 residues pruned to eliminate duplicates Z: 6 4.143 1.691 0.754 0.836 0.800 0.600 CB 0.584 Z: 7 5.948 1.739 0.412 0.479 0.833 0.667 CB 1.212 Z: 12 6.005 1.648 -0.041 0.568 1.000 0.727 CB 1.073 Z: 32 13.474 1.923 0.453 0.315 0.806 0.484 CB 1.318 20 residues pruned to eliminate duplicates Z: 7 5.429 1.651 0.483 0.274 0.833 0.667 CB 1.403 Z: 14 8.949 1.736 0.806 0.726 0.769 0.615 CB 0.840 14 residues pruned to eliminate duplicates Z: 16 17.160 1.832 0.607 0.802 0.867 0.800 CB 1.334 16 residues pruned to eliminate duplicates Z: 20 9.580 1.851 0.491 0.392 0.684 0.526 CB 1.304 20 residues pruned to eliminate duplicates Z: 10 8.376 1.580 0.360 0.851 1.000 0.778 CB 0.962 Z: 9 5.319 1.478 0.310 0.736 0.875 0.625 CB 0.898 Z: 35 15.182 1.944 0.467 0.308 0.794 0.353 CB 1.423 32 residues pruned to eliminate duplicates Z: 9 5.647 1.642 -0.079 0.552 1.000 0.250 N 1.255 Z: 19 24.582 1.880 0.742 0.901 0.944 0.611 CB 1.337 19 residues pruned to eliminate duplicates Z: 12 10.828 1.774 0.301 0.814 1.000 0.818 CB 1.077 12 residues pruned to eliminate duplicates Z: 8 9.027 1.742 0.487 0.748 0.857 0.714 CB 1.231 Z: 8 3.768 1.416 0.330 0.349 0.857 0.429 CB 1.039 Z: 14 7.776 1.495 0.294 0.751 0.923 0.692 CB 0.965 Z: 18 5.993 1.599 0.380 0.367 0.706 0.471 CB 1.077 10 residues pruned to eliminate duplicates Z: 7 5.930 1.822 0.476 0.840 0.833 0.833 CB 0.806 Z: 17 12.135 1.837 0.291 0.522 0.812 0.500 N 1.541 17 residues pruned to eliminate duplicates Z: 11 13.618 1.692 0.605 0.913 1.000 0.900 CB 1.123 11 residues pruned to eliminate duplicates Z: 10 9.103 1.655 0.266 0.889 0.889 0.778 CB 1.173 8 residues pruned to eliminate duplicates Z: 11 8.138 1.737 0.393 0.853 1.000 0.700 CB 0.786 Z: 11 11.457 1.792 0.634 0.759 0.900 0.800 CB 1.092 11 residues pruned to eliminate duplicates Z: 7 4.319 1.601 0.563 0.730 0.500 0.500 N 1.146 7 residues pruned to eliminate duplicates Z: 17 10.235 1.490 0.492 0.801 0.938 0.500 CB 0.944 Z: 11 4.473 1.668 0.492 0.356 0.700 0.500 CB 0.949 Z: 6 5.885 1.805 0.768 0.731 1.000 0.800 CB 0.670 Z: 7 2.965 1.590 0.073 0.361 0.667 0.333 CB 1.237 Z: 21 9.766 1.949 0.408 0.315 0.750 0.300 CB 1.302 21 residues pruned to eliminate duplicates Z: 10 9.337 1.704 0.736 0.866 0.889 0.778 CB 0.866 9 residues pruned to eliminate duplicates Z: 16 16.397 1.767 0.643 0.819 0.867 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 8 12.156 1.859 0.439 0.869 1.000 0.857 CB 1.255 9 residues pruned to eliminate duplicates Z: 13 10.159 1.755 0.725 0.478 0.833 0.500 CB 1.189 13 residues pruned to eliminate duplicates Z: 9 8.399 1.744 0.238 0.752 0.875 0.750 CB 1.255 9 residues pruned to eliminate duplicates Z: 8 4.219 1.729 -0.026 0.465 0.714 0.429 CB 1.375 8 residues pruned to eliminate duplicates Z: 6 7.175 1.766 0.568 0.572 0.800 0.800 CB 1.350 Z: 18 8.089 1.647 0.399 0.378 0.706 0.471 CB 1.374 18 residues pruned to eliminate duplicates Z: 8 11.030 1.620 0.947 0.807 1.000 0.429 CB 1.011 8 residues pruned to eliminate duplicates Z: 13 4.639 1.678 0.281 0.343 0.583 0.250 CB 1.268 13 residues pruned to eliminate duplicates Z: 14 14.760 1.857 0.459 0.900 1.000 0.846 CB 1.079 14 residues pruned to eliminate duplicates Z: 11 14.677 1.719 0.716 0.849 1.000 0.800 CB 1.167 9 residues pruned to eliminate duplicates Z: 9 4.103 1.476 0.093 0.367 0.875 0.500 CB 1.185 Z: 6 2.736 1.761 0.837 0.842 1.000 0.800 CB 0.282 Z: 7 3.674 1.328 0.774 0.458 0.833 0.667 O 0.797 Z: 9 6.931 1.652 0.270 0.548 0.875 0.500 CB 1.274 Z: 9 7.185 1.477 0.766 0.753 0.875 0.875 CB 0.888 Z: 8 9.708 1.720 0.544 0.816 0.857 0.571 CB 1.224 7 residues pruned to eliminate duplicates Z: 12 12.767 1.832 0.531 0.869 0.909 0.636 CB 1.103 12 residues pruned to eliminate duplicates Z: 6 3.375 1.482 0.402 0.551 0.800 0.400 CB 0.864 Z: 9 5.122 1.488 0.448 0.496 0.750 0.250 CB 1.125 Z: 7 11.167 1.783 0.540 0.667 1.000 0.667 CB 1.422 Z: 13 16.666 1.849 0.559 0.854 0.917 0.583 CB 1.344 13 residues pruned to eliminate duplicates Z: 7 2.970 1.395 0.647 0.310 0.833 0.667 N 0.782 Z: 12 5.622 1.711 0.422 0.274 0.727 0.545 N 1.238 Z: 9 10.101 1.749 0.413 0.904 1.000 1.000 CB 1.030 10 residues pruned to eliminate duplicates Z: 7 3.802 1.635 0.325 0.388 0.833 0.500 CB 0.968 Z: 11 10.567 1.600 0.484 0.854 1.000 0.800 O 1.040 11 residues pruned to eliminate duplicates Z: 17 21.015 1.833 0.893 0.820 1.000 0.750 CB 1.147 17 residues pruned to eliminate duplicates Z: 8 2.721 1.420 0.246 0.383 0.714 0.429 CB 0.921 Z: 6 4.169 1.493 0.601 0.358 0.800 0.600 N 1.136 Z: 13 2.592 1.400 0.025 0.176 0.750 0.250 CB 1.029 Z: 8 4.517 1.793 0.432 0.727 1.000 0.429 CB 0.542 Z: 21 10.198 1.594 0.404 0.497 0.950 0.650 CB 1.076 11 residues pruned to eliminate duplicates Z: 8 3.433 1.535 0.167 0.383 0.714 0.429 CB 1.148 8 residues pruned to eliminate duplicates Z: 29 17.281 1.781 0.618 0.541 0.893 0.500 CB 1.219 32 residues pruned to eliminate duplicates Z: 6 2.246 1.324 0.645 0.663 0.600 0.400 CB 0.661 Z: 9 3.909 1.549 0.396 0.476 0.625 0.250 CB 1.048 Z: 9 5.567 1.691 0.168 0.691 0.875 0.750 CB 0.956 9 residues pruned to eliminate duplicates Z: 9 4.729 1.813 0.425 0.455 0.750 0.500 CB 0.904 Z: 9 5.065 1.393 0.291 0.414 1.000 0.500 CB 1.089 Z: 7 5.029 1.422 0.364 0.728 1.000 0.333 CB 0.862 Z: 12 16.900 1.816 0.562 0.875 0.909 0.909 CB 1.436 18 residues pruned to eliminate duplicates Z: 14 17.811 1.830 0.462 0.904 1.000 0.923 CB 1.315 25 residues pruned to eliminate duplicates Z: 11 9.418 1.725 0.486 0.806 0.800 0.500 CB 1.112 11 residues pruned to eliminate duplicates Z: 16 11.323 1.631 0.593 0.759 0.800 0.733 CB 1.117 16 residues pruned to eliminate duplicates Z: 13 12.901 1.712 0.355 0.864 1.000 0.917 CB 1.177 13 residues pruned to eliminate duplicates Z: 10 9.427 1.796 0.679 0.756 0.889 0.556 CB 0.933 10 residues pruned to eliminate duplicates Z: 7 15.170 1.802 0.646 0.879 1.000 0.833 O 1.514 7 residues pruned to eliminate duplicates Z: 7 2.922 1.358 0.420 0.387 0.833 0.333 O 0.836 Z: 7 3.452 1.487 0.716 0.768 0.833 0.667 CB 0.523 Z: 6 3.674 1.745 0.225 0.781 0.800 0.800 CB 0.750 Z: 17 27.624 1.938 0.888 0.906 0.938 0.750 CB 1.432 17 residues pruned to eliminate duplicates Z: 8 3.492 1.504 0.270 0.575 1.000 0.714 CB 0.643 Z: 7 4.812 1.762 -0.139 0.791 1.000 0.667 CB 1.003 6 residues pruned to eliminate duplicates Z: 13 9.425 1.541 0.520 0.696 0.833 0.583 CB 1.166 13 residues pruned to eliminate duplicates Z: 11 6.937 1.727 0.247 0.698 1.000 0.500 CB 0.850 15 residues pruned to eliminate duplicates Z: 23 29.399 2.085 0.610 0.906 1.000 0.818 CB 1.328 23 residues pruned to eliminate duplicates Z: 14 11.120 1.525 0.525 0.791 1.000 0.846 CB 1.027 Z: 12 8.043 1.845 0.542 0.842 0.909 0.909 CB 0.699 12 residues pruned to eliminate duplicates Z: 6 5.704 1.230 0.758 0.687 1.000 0.800 O 0.994 Z: 23 10.929 1.896 0.430 0.396 0.773 0.409 CB 1.241 24 residues pruned to eliminate duplicates 7 1.786 1.115 0.448 0.515 0.833 0.500 CB 0.534 ? 7 1.167 1.429 -0.183 0.466 0.667 0.667 CB 0.633 ? Z: 9 3.424 1.457 0.753 0.325 0.625 0.250 CB 0.920 Z: 10 6.593 1.494 0.339 0.770 1.000 0.667 CB 0.865 10 residues pruned to eliminate duplicates Z: 7 5.677 1.562 0.851 0.281 0.833 0.167 CA 1.232 Z: 20 18.242 1.821 0.761 0.824 0.842 0.526 CB 1.170 20 residues pruned to eliminate duplicates Z: 8 7.020 1.296 0.691 0.840 1.000 0.857 O 0.904 8 residues pruned to eliminate duplicates Z: 6 4.142 1.567 0.281 0.738 1.000 0.800 CB 0.745 Z: 9 4.172 1.634 0.331 0.408 0.875 0.500 CB 0.854 Z: 11 7.754 1.478 0.590 0.773 0.800 0.700 O 1.025 Z: 10 5.674 1.643 0.348 0.466 0.889 0.444 CB 0.996 Z: 9 3.609 1.724 0.441 0.366 0.750 0.250 CB 0.791 9 residues pruned to eliminate duplicates Z: 13 12.040 1.585 0.998 0.614 0.917 0.750 CB 1.075 13 residues pruned to eliminate duplicates Z: 15 16.311 1.805 0.355 0.866 1.000 0.857 CB 1.304 14 residues pruned to eliminate duplicates Z: 6 2.227 1.401 0.374 0.307 0.600 0.400 O 1.069 Z: 11 12.682 1.887 0.330 0.893 1.000 0.800 CB 1.147 11 residues pruned to eliminate duplicates Z: 8 8.270 1.733 0.165 0.768 1.000 0.857 CB 1.221 7 residues pruned to eliminate duplicates Z: 10 3.458 1.501 0.835 0.715 0.778 0.556 CB 0.443 Z: 8 6.345 1.623 0.636 0.749 0.857 0.714 O 0.844 19 residues pruned to eliminate duplicates Z: 10 12.218 1.935 0.193 0.885 1.000 1.000 CB 1.275 10 residues pruned to eliminate duplicates Z: 18 6.542 1.887 0.421 0.256 0.706 0.588 CB 1.109 18 residues pruned to eliminate duplicates Z: 6 3.253 1.555 0.265 0.480 0.600 0.600 N 1.259 Z: 12 5.926 1.565 0.641 0.386 0.818 0.636 CB 0.960 12 residues pruned to eliminate duplicates Z: 8 9.076 1.873 0.663 0.684 0.857 0.429 CB 1.085 8 residues pruned to eliminate duplicates Z: 8 12.999 1.870 0.404 0.858 1.000 0.857 CB 1.378 8 residues pruned to eliminate duplicates Z: 13 10.484 1.776 0.698 0.657 0.750 0.417 CB 1.156 13 residues pruned to eliminate duplicates Z: 13 13.049 1.789 0.263 0.880 1.000 0.667 CB 1.208 13 residues pruned to eliminate duplicates Z: 13 9.216 1.673 0.659 0.777 0.750 0.583 CB 1.001 13 residues pruned to eliminate duplicates Z: 7 2.185 1.458 0.246 0.262 0.667 0.167 O 0.967 Z: 17 17.405 1.783 0.588 0.861 0.938 0.812 CB 1.204 17 residues pruned to eliminate duplicates Z: 7 5.063 1.344 0.645 0.697 0.833 0.833 CB 0.937 Z: 15 14.605 1.669 0.525 0.885 0.929 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 9 7.763 1.704 0.305 0.703 0.875 0.625 CB 1.172 9 residues pruned to eliminate duplicates Z: 10 4.387 1.506 0.687 0.283 0.667 0.556 O 1.103 10 residues pruned to eliminate duplicates Z: 12 12.502 1.766 0.827 0.768 0.818 0.727 CB 1.126 12 residues pruned to eliminate duplicates Z: 18 9.246 1.673 0.557 0.370 0.824 0.588 CB 1.201 16 residues pruned to eliminate duplicates Z: 15 8.767 1.687 0.450 0.561 0.714 0.500 CB 1.264 15 residues pruned to eliminate duplicates Z: 16 10.225 1.590 0.405 0.590 0.867 0.733 N 1.251 11 residues pruned to eliminate duplicates Z: 9 6.652 1.523 0.550 0.777 1.000 0.625 CB 0.780 Z: 8 4.437 1.744 0.471 0.409 0.714 0.571 CB 1.006 10 residues pruned to eliminate duplicates Z: 7 2.463 1.406 0.703 0.262 0.667 0.667 N 0.827 Z: 7 4.871 1.638 0.431 0.409 0.667 0.500 O 1.401 Z: 8 5.193 1.523 0.336 0.633 0.857 0.571 CB 0.994 Z: 9 9.873 1.871 0.964 0.796 1.000 0.750 CB 0.733 9 residues pruned to eliminate duplicates Z: 11 3.869 1.551 0.666 0.309 0.500 0.300 CB 1.170 11 residues pruned to eliminate duplicates Z: 10 6.661 1.532 0.221 0.830 1.000 0.778 CB 0.892 10 residues pruned to eliminate duplicates Z: 12 6.751 1.700 0.159 0.405 0.909 0.455 CB 1.256 Z: 15 30.566 2.015 1.047 0.901 1.000 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 6 4.689 1.880 0.035 0.478 0.800 0.800 CB 1.378 5 residues pruned to eliminate duplicates Z: 9 11.381 1.625 0.536 0.811 1.000 0.750 CB 1.230 8 residues pruned to eliminate duplicates Z: 10 7.842 1.673 0.399 0.576 0.889 0.667 CB 1.167 10 residues pruned to eliminate duplicates Z: 6 4.859 1.648 0.337 0.663 0.800 0.800 CB 1.060 6 residues pruned to eliminate duplicates Z: 8 5.216 1.534 0.227 0.509 0.857 0.714 CB 1.212 8 residues pruned to eliminate duplicates Z: 32 13.754 1.737 0.593 0.614 0.710 0.355 CB 1.130 32 residues pruned to eliminate duplicates Z: 7 3.089 1.451 0.130 0.694 0.833 0.667 CB 0.773 Z: 8 8.181 1.618 0.717 0.898 0.857 0.857 CB 0.929 Z: 17 11.638 1.693 0.739 0.816 0.875 0.250 CB 0.858 17 residues pruned to eliminate duplicates Z: 8 8.079 1.655 0.417 0.845 0.857 0.571 O 1.129 8 residues pruned to eliminate duplicates Z: 9 8.381 1.635 0.320 0.827 0.875 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 13 5.137 1.747 0.614 0.189 0.833 0.250 CB 0.916 Z: 9 4.799 1.557 1.246 0.184 0.625 0.250 CB 1.135 6 residues pruned to eliminate duplicates Z: 11 6.623 1.756 0.600 0.370 0.800 0.400 CB 1.072 7 residues pruned to eliminate duplicates Z: 14 5.191 1.619 0.276 0.281 0.769 0.615 O 1.160 Z: 9 3.900 1.443 0.413 0.312 0.750 0.250 CB 1.111 Z: 6 9.664 1.656 0.979 0.687 0.800 0.400 CB 1.389 Z: 23 29.357 2.071 0.911 0.823 0.864 0.727 CB 1.385 23 residues pruned to eliminate duplicates Z: 11 6.289 1.580 0.426 0.609 0.800 0.400 N 0.994 11 residues pruned to eliminate duplicates Z: 6 3.925 1.485 0.700 0.459 1.000 0.600 CB 0.725 Z: 21 10.987 1.746 0.562 0.499 0.750 0.450 CB 1.203 26 residues pruned to eliminate duplicates 6 1.949 1.219 0.206 0.480 0.800 0.600 CB 0.757 ? Z: 7 4.124 1.450 0.458 0.832 0.833 0.667 CB 0.717 7 residues pruned to eliminate duplicates Z: 11 17.302 1.852 0.689 0.876 1.000 0.800 O 1.272 11 residues pruned to eliminate duplicates Z: 6 2.590 1.477 0.629 0.287 0.600 0.400 N 1.020 Z: 7 2.999 1.300 0.485 0.462 1.000 0.500 CB 0.659 Z: 6 2.250 1.448 0.134 0.164 1.000 0.400 N 0.922 Z: 12 4.367 1.449 0.235 0.407 0.818 0.545 CB 0.991 12 residues pruned to eliminate duplicates Z: 8 9.717 1.971 0.243 0.802 0.857 0.857 CB 1.344 8 residues pruned to eliminate duplicates Z: 18 9.138 1.762 0.587 0.480 0.647 0.235 CB 1.250 15 residues pruned to eliminate duplicates Z: 10 10.668 1.634 0.574 0.839 1.000 0.778 CB 1.033 10 residues pruned to eliminate duplicates Z: 29 20.323 1.999 0.677 0.533 0.786 0.429 CB 1.411 26 residues pruned to eliminate duplicates Z: 8 5.559 1.502 0.105 0.775 1.000 0.857 O 0.992 8 residues pruned to eliminate duplicates Z: 9 7.101 1.568 0.623 0.636 0.750 0.750 CB 1.157 Z: 15 26.443 1.938 0.901 0.906 1.000 0.857 CB 1.365 15 residues pruned to eliminate duplicates Z: 13 6.837 1.671 0.218 0.473 0.750 0.500 N 1.328 Z: 12 14.128 1.753 0.777 0.879 0.818 0.545 CB 1.212 12 residues pruned to eliminate duplicates Z: 6 4.292 1.657 0.362 0.671 1.000 0.600 CB 0.726 6 residues pruned to eliminate duplicates Z: 21 21.857 1.925 0.619 0.834 0.900 0.750 CB 1.307 21 residues pruned to eliminate duplicates Z: 7 4.351 1.490 0.932 0.592 0.500 0.500 N 1.130 Z: 6 2.276 1.574 -0.341 0.265 1.000 0.200 CB 1.282 6 residues pruned to eliminate duplicates Z: 13 11.819 1.695 0.678 0.810 0.917 0.917 CB 0.999 14 residues pruned to eliminate duplicates 8 1.643 1.553 0.316 0.124 0.429 0.286 N 1.137 ? Z: 10 3.182 1.359 0.731 0.271 0.667 0.556 CB 0.877 Z: 7 3.205 1.537 0.788 0.250 0.500 0.333 O 1.270 Z: 19 8.905 1.891 0.214 0.352 0.889 0.556 CB 1.208 19 residues pruned to eliminate duplicates Z: 8 5.439 1.667 0.121 0.639 1.000 0.714 CB 0.966 8 residues pruned to eliminate duplicates Z: 6 2.916 1.404 0.479 0.459 0.600 0.400 N 1.093 Z: 25 27.864 1.969 1.001 0.761 0.917 0.500 CB 1.249 25 residues pruned to eliminate duplicates Z: 11 12.022 1.722 0.553 0.857 0.900 0.800 CB 1.164 11 residues pruned to eliminate duplicates Z: 8 6.467 1.808 0.199 0.881 1.000 1.000 CB 0.817 Z: 13 6.156 1.473 0.688 0.822 0.833 0.750 CB 0.649 Z: 14 15.017 1.608 0.600 0.873 1.000 0.846 CB 1.179 13 residues pruned to eliminate duplicates Z: 8 3.087 1.465 0.316 0.532 0.714 0.429 CB 0.821 Z: 16 26.888 1.927 0.985 0.878 0.933 0.467 CB 1.410 18 residues pruned to eliminate duplicates Z: 10 8.120 1.928 0.936 0.493 0.889 0.778 CB 0.822 10 residues pruned to eliminate duplicates Z: 12 10.014 1.674 0.392 0.880 0.909 0.818 CB 1.033 10 residues pruned to eliminate duplicates Z: 17 18.472 1.846 0.628 0.903 1.000 0.875 CB 1.095 17 residues pruned to eliminate duplicates Z: 6 7.834 1.655 0.408 0.775 1.000 0.800 O 1.180 6 residues pruned to eliminate duplicates Z: 12 9.502 1.615 0.233 0.859 1.000 0.909 O 1.058 20 residues pruned to eliminate duplicates Z: 22 12.600 1.851 0.506 0.685 0.762 0.476 CB 1.092 22 residues pruned to eliminate duplicates Z: 8 7.234 1.430 0.811 0.470 1.000 0.571 CB 1.088 5 residues pruned to eliminate duplicates Z: 24 23.120 1.860 0.676 0.552 1.000 0.783 CB 1.470 24 residues pruned to eliminate duplicates Z: 19 9.748 1.734 0.558 0.498 0.944 0.500 CB 0.902 13 residues pruned to eliminate duplicates Z: 21 14.387 1.800 0.653 0.580 0.750 0.250 CB 1.334 21 residues pruned to eliminate duplicates Z: 8 5.384 1.622 0.409 0.678 0.857 0.857 CB 0.881 7 residues pruned to eliminate duplicates Z: 10 4.560 1.642 0.486 0.457 0.556 0.556 CB 1.172 Z: 8 6.745 1.823 0.362 0.825 1.000 0.857 CB 0.775 12 residues pruned to eliminate duplicates Z: 7 8.272 1.562 0.686 0.857 1.000 1.000 CB 0.945 7 residues pruned to eliminate duplicates Z: 6 6.586 1.718 0.147 0.497 1.000 0.400 O 1.498 Z: 6 2.418 1.235 0.542 0.722 0.800 0.600 CB 0.581 Z: 12 11.629 1.747 0.420 0.847 1.000 0.909 CB 1.049 12 residues pruned to eliminate duplicates Z: 9 2.964 1.709 0.888 0.169 0.375 0.375 N 1.294 Z: 6 5.775 1.716 0.176 0.435 1.000 0.800 O 1.369 Z: 9 3.551 1.669 0.321 0.182 0.625 0.500 CB 1.335 Z: 8 10.193 1.886 0.446 0.605 1.000 0.714 CB 1.279 Z: 6 3.308 1.439 0.466 0.257 0.800 0.600 N 1.158 Z: 9 12.143 1.672 0.832 0.855 1.000 0.750 CB 1.034 13 residues pruned to eliminate duplicates Z: 17 5.664 1.538 0.737 0.329 0.562 0.438 CB 1.137 17 residues pruned to eliminate duplicates Z: 9 4.795 1.282 0.501 0.667 1.000 0.625 CB 0.755 9 residues pruned to eliminate duplicates Z: 6 5.155 1.818 0.073 0.694 0.800 0.600 CB 1.238 6 residues pruned to eliminate duplicates Z: 11 9.355 1.525 0.546 0.879 1.000 1.000 CB 0.909 9 residues pruned to eliminate duplicates Z: 7 5.116 1.827 0.481 0.337 0.667 0.333 CB 1.383 7 residues pruned to eliminate duplicates Z: 9 9.033 1.613 0.580 0.857 0.875 0.875 CB 1.055 8 residues pruned to eliminate duplicates Z: 10 5.784 1.607 0.911 0.512 0.667 0.667 CB 0.931 10 residues pruned to eliminate duplicates Z: 17 11.493 1.475 0.399 0.833 1.000 0.750 O 1.045 17 residues pruned to eliminate duplicates Z: 10 3.829 1.509 0.426 0.301 0.778 0.444 CB 0.953 Z: 6 5.731 1.477 0.423 0.704 0.800 0.800 N 1.265 Z: 6 2.817 1.391 1.153 0.566 0.800 0.600 CB 0.493 Z: 6 5.745 1.827 0.280 0.761 1.000 1.000 CB 0.872 Z: 6 3.982 1.808 0.311 0.813 0.800 0.600 CB 0.716 6 residues pruned to eliminate duplicates Z: 11 13.587 1.481 0.628 0.872 1.000 1.000 N 1.299 Z: 9 11.785 1.750 0.657 0.861 1.000 0.750 CB 1.056 Z: 6 4.618 1.584 0.422 0.364 0.800 0.600 O 1.327 5 residues pruned to eliminate duplicates Z: 12 10.661 1.620 0.750 0.913 0.909 0.727 CB 0.883 Z: 13 8.865 1.621 0.274 0.585 0.917 0.833 CB 1.246 13 residues pruned to eliminate duplicates Z: 12 6.163 1.742 0.144 0.407 0.727 0.273 CB 1.415 Z: 6 3.005 1.562 -0.100 0.434 0.800 0.600 N 1.279 Z: 7 5.991 1.717 0.310 0.614 0.833 0.500 CB 1.172 Z: 7 6.379 1.308 0.724 0.809 1.000 1.000 N 0.882 Z: 6 4.317 1.608 0.777 0.295 0.600 0.600 CB 1.416 Z: 6 4.437 1.597 0.854 0.852 1.000 0.800 CB 0.496 Z: 15 8.291 1.675 0.534 0.415 0.786 0.429 CB 1.200 Z: 16 5.527 1.707 0.354 0.288 0.667 0.400 CB 1.175 Z: 8 2.137 1.480 0.079 0.440 0.714 0.571 CB 0.753 Z: 13 12.343 1.665 0.320 0.833 1.000 0.750 CB 1.217 11 residues pruned to eliminate duplicates Z: 8 6.080 1.684 0.296 0.527 0.857 0.571 CB 1.196 8 residues pruned to eliminate duplicates Z: 11 13.605 1.669 0.464 0.825 1.000 0.800 CB 1.330 11 residues pruned to eliminate duplicates Z: 8 2.805 1.677 -0.024 0.465 0.714 0.286 CB 0.939 Z: 8 12.536 1.887 0.358 0.910 1.000 1.000 CB 1.311 8 residues pruned to eliminate duplicates Z: 10 3.602 1.526 0.470 0.311 0.778 0.333 CB 0.848 Z: 15 9.157 1.751 0.569 0.636 0.714 0.643 CB 1.098 15 residues pruned to eliminate duplicates Z: 14 13.030 1.793 0.515 0.891 1.000 0.692 CB 0.957 14 residues pruned to eliminate duplicates Z: 6 3.261 1.624 0.713 0.534 0.800 0.400 CB 0.634 Z: 6 7.893 1.572 0.813 0.680 1.000 1.000 CB 1.049 Z: 18 11.275 1.632 0.589 0.338 0.941 0.588 CB 1.337 35 residues pruned to eliminate duplicates Z: 6 8.306 1.745 0.810 0.629 0.800 0.400 CB 1.303 6 residues pruned to eliminate duplicates Z: 6 3.716 1.358 0.231 0.596 1.000 0.600 O 0.908 Z: 9 2.904 1.476 0.784 0.321 0.625 0.375 CB 0.760 Z: 6 5.608 1.623 0.540 0.425 0.800 0.600 O 1.356 7 residues pruned to eliminate duplicates Z: 6 3.780 1.292 0.610 0.599 0.800 0.400 CB 0.925 Z: 49 25.914 1.953 0.545 0.548 0.833 0.542 CB 1.419 49 residues pruned to eliminate duplicates Z: 11 6.025 1.550 0.318 0.533 0.800 0.600 CB 1.128 9 residues pruned to eliminate duplicates Z: 7 5.592 1.711 0.561 0.840 0.833 0.833 CB 0.766 6 residues pruned to eliminate duplicates 6 1.601 1.193 0.484 0.100 0.800 0.400 CB 0.843 ? Z: 10 4.155 1.299 0.450 0.293 0.889 0.667 N 1.043 Z: 9 5.419 1.402 0.502 0.653 1.000 0.625 CB 0.789 9 residues pruned to eliminate duplicates Z: 10 4.596 1.800 -0.040 0.426 0.889 0.444 CB 1.076 10 residues pruned to eliminate duplicates Z: 9 7.811 1.694 0.928 0.869 0.750 0.750 CB 0.823 9 residues pruned to eliminate duplicates Z: 9 6.408 1.404 0.686 0.699 0.750 0.500 CB 1.064 Z: 8 3.599 1.602 0.485 0.301 0.571 0.286 N 1.248 Z: 6 2.523 1.581 0.133 0.439 0.800 0.400 N 0.838 Z: 11 2.764 1.337 -0.055 0.727 0.700 0.300 CB 0.805 11 residues pruned to eliminate duplicates Z: 7 3.167 1.276 0.466 0.350 0.833 0.333 O 0.977 Z: 9 6.494 1.631 0.469 0.576 0.875 0.500 CB 1.017 8 residues pruned to eliminate duplicates Z: 17 10.763 1.575 0.344 0.836 0.875 0.812 CB 1.087 17 residues pruned to eliminate duplicates Z: 6 2.184 1.386 0.498 0.390 0.600 0.600 CB 0.881 Z: 8 5.988 1.455 0.300 0.842 1.000 0.571 CB 0.892 8 residues pruned to eliminate duplicates Z: 12 13.819 1.887 0.796 0.696 0.818 0.455 CB 1.256 23 residues pruned to eliminate duplicates Z: 11 11.569 1.894 0.053 0.876 1.000 0.800 CB 1.333 11 residues pruned to eliminate duplicates Z: 8 2.034 1.476 0.097 0.307 0.571 0.429 CB 1.029 Z: 11 9.359 1.529 0.889 0.859 0.900 0.600 CB 0.838 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 6.306 1.459 0.307 0.532 0.929 0.429 CB 0.923 21 residues pruned to eliminate duplicates Z: 6 3.646 1.241 0.483 0.393 1.000 0.600 CB 0.993 Z: 12 6.644 1.687 0.682 0.699 0.818 0.727 CB 0.720 10 residues pruned to eliminate duplicates Z: 13 8.547 1.655 0.533 0.819 0.917 0.583 CB 0.804 12 residues pruned to eliminate duplicates Z: 6 9.681 1.822 0.635 0.883 1.000 1.000 CB 1.051 6 residues pruned to eliminate duplicates Z: 8 5.775 1.782 0.704 0.804 0.857 0.714 CB 0.643 22 residues pruned to eliminate duplicates Z: 6 6.440 1.350 1.445 0.437 1.000 0.600 CB 0.931 Z: 7 4.144 1.452 0.750 0.890 0.833 0.833 CB 0.575 8 residues pruned to eliminate duplicates Z: 9 4.476 1.586 0.451 0.468 0.875 0.625 CB 0.812 9 residues pruned to eliminate duplicates Z: 6 3.151 1.468 0.754 0.802 1.000 0.600 CB 0.420 6 residues pruned to eliminate duplicates Z: 10 6.488 1.629 0.297 0.617 0.778 0.444 CB 1.179 10 residues pruned to eliminate duplicates Z: 9 6.572 1.682 0.334 0.638 0.750 0.500 CB 1.214 11 residues pruned to eliminate duplicates Z: 11 16.420 1.731 0.626 0.823 1.000 0.900 CB 1.395 11 residues pruned to eliminate duplicates Z: 22 12.366 1.637 0.452 0.625 0.857 0.571 CB 1.177 20 residues pruned to eliminate duplicates Z: 10 17.731 1.771 0.565 0.916 1.000 1.000 CB 1.507 10 residues pruned to eliminate duplicates Z: 13 10.814 1.666 0.402 0.686 0.833 0.750 N 1.353 13 residues pruned to eliminate duplicates Z: 7 9.701 1.842 0.603 0.707 0.833 0.500 CB 1.333 Z: 12 12.895 1.579 0.824 0.881 0.909 0.727 CB 1.075 19 residues pruned to eliminate duplicates Z: 12 13.065 1.690 0.499 0.780 0.909 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 10 12.519 1.682 0.709 0.792 0.889 0.556 CB 1.264 10 residues pruned to eliminate duplicates Z: 18 5.438 1.525 0.102 0.454 0.765 0.353 N 1.076 27 residues pruned to eliminate duplicates Z: 8 4.342 1.415 0.373 0.793 0.714 0.429 CB 0.915 8 residues pruned to eliminate duplicates Z: 14 6.577 1.395 0.653 0.606 0.769 0.385 CB 0.929 14 residues pruned to eliminate duplicates Z: 8 4.114 1.454 0.386 0.760 0.714 0.714 CB 0.858 8 residues pruned to eliminate duplicates Z: 13 7.817 1.579 0.294 0.746 0.833 0.583 CB 1.063 13 residues pruned to eliminate duplicates Z: 13 7.658 1.497 0.532 0.615 0.833 0.417 N 1.038 13 residues pruned to eliminate duplicates Z: 13 10.173 1.635 0.353 0.773 0.917 0.333 CB 1.138 13 residues pruned to eliminate duplicates Z: 9 7.636 1.640 0.240 0.580 1.000 0.625 O 1.230 6 residues pruned to eliminate duplicates Z: 16 8.141 1.534 0.420 0.853 0.800 0.533 CB 0.892 16 residues pruned to eliminate duplicates Z: 6 9.976 1.812 0.459 0.852 1.000 0.800 CB 1.248 6 residues pruned to eliminate duplicates Z: 8 7.542 1.754 0.304 0.644 0.857 0.714 O 1.272 8 residues pruned to eliminate duplicates Z: 10 6.695 1.604 0.544 0.694 0.889 0.444 CB 0.849 10 residues pruned to eliminate duplicates Z: 10 9.729 1.636 0.811 0.668 0.889 0.778 CB 1.054 11 residues pruned to eliminate duplicates Z: 6 2.098 1.296 0.035 0.428 1.000 0.800 CB 0.754 4 residues pruned to eliminate duplicates Z: 11 8.383 1.574 0.484 0.581 0.900 0.600 N 1.166 7 residues pruned to eliminate duplicates Z: 6 2.554 1.597 0.556 0.449 0.400 0.000 CB 1.211 6 residues pruned to eliminate duplicates Z: 7 5.934 1.699 0.388 0.625 0.833 0.333 CB 1.096 7 residues pruned to eliminate duplicates Z: 7 9.644 1.753 0.659 0.694 0.833 0.167 N 1.360 7 residues pruned to eliminate duplicates Z: 15 8.715 1.761 0.385 0.571 0.714 0.429 CB 1.248 9 residues pruned to eliminate duplicates Z: 9 9.887 1.550 0.613 0.673 1.000 0.500 N 1.191 9 residues pruned to eliminate duplicates Z: 12 7.793 1.704 0.638 0.464 0.727 0.545 CB 1.201 12 residues pruned to eliminate duplicates Z: 8 3.616 1.769 0.604 0.506 0.429 0.429 CB 1.117 8 residues pruned to eliminate duplicates Z: 10 6.451 1.707 0.412 0.530 0.667 0.444 CB 1.300 10 residues pruned to eliminate duplicates Z: 16 12.234 1.814 0.807 0.543 0.800 0.600 CB 1.155 13 residues pruned to eliminate duplicates Z: 8 7.685 1.887 0.142 0.564 0.857 0.429 CB 1.478 14 residues pruned to eliminate duplicates Z: 6 3.887 1.638 1.036 0.271 0.600 0.200 O 1.126 6 residues pruned to eliminate duplicates Z: 14 10.138 1.950 0.369 0.449 0.923 0.462 CB 1.202 8 residues pruned to eliminate duplicates Z: 6 7.026 1.551 1.095 0.541 0.800 0.400 N 1.162 Z: 7 6.326 1.638 0.415 0.828 0.833 0.667 O 1.007 7 residues pruned to eliminate duplicates Z: 18 7.500 1.902 0.184 0.346 0.706 0.412 CB 1.353 20 residues pruned to eliminate duplicates Z: 6 8.418 1.583 0.531 0.863 1.000 1.000 O 1.140 6 residues pruned to eliminate duplicates Z: 28 7.557 1.783 0.260 0.241 0.815 0.333 CB 1.072 22 residues pruned to eliminate duplicates Z: 6 5.713 1.736 0.652 0.820 0.600 0.600 CB 1.124 12 residues pruned to eliminate duplicates Z: 9 4.530 1.530 0.657 0.472 0.625 0.375 N 1.041 9 residues pruned to eliminate duplicates Z: 22 6.714 1.865 0.221 0.237 0.810 0.429 CB 1.079 22 residues pruned to eliminate duplicates Z: 13 7.244 1.881 0.265 0.370 1.000 0.750 CB 1.010 13 residues pruned to eliminate duplicates Z: 20 10.641 1.954 0.262 0.393 0.895 0.579 CB 1.239 20 residues pruned to eliminate duplicates Z: 45 12.647 1.823 0.333 0.313 0.750 0.477 CB 1.287 51 residues pruned to eliminate duplicates Z: 33 10.700 1.842 0.356 0.305 0.750 0.469 CB 1.254 33 residues pruned to eliminate duplicates Z: 11 6.023 1.923 -0.044 0.391 0.900 0.600 CB 1.291 11 residues pruned to eliminate duplicates Z: 20 8.503 1.813 0.208 0.367 0.895 0.579 CB 1.148 20 residues pruned to eliminate duplicates Z: 27 10.916 1.896 0.345 0.361 0.769 0.385 CB 1.268 27 residues pruned to eliminate duplicates Z: 25 12.614 1.846 0.547 0.333 0.875 0.500 CB 1.238 25 residues pruned to eliminate duplicates Z: 21 9.866 1.836 0.452 0.368 0.850 0.550 CB 1.122 21 residues pruned to eliminate duplicates Z: 22 11.882 1.906 0.320 0.332 0.905 0.524 CB 1.370 22 residues pruned to eliminate duplicates Z: 17 8.806 1.947 0.164 0.327 0.875 0.500 CB 1.344 17 residues pruned to eliminate duplicates Z: 19 9.636 1.949 0.224 0.396 0.778 0.444 CB 1.367 19 residues pruned to eliminate duplicates Z: 35 8.793 1.789 0.403 0.233 0.735 0.412 CB 1.114 35 residues pruned to eliminate duplicates Z: 21 9.346 1.909 0.244 0.395 0.800 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 12 7.177 1.759 0.101 0.427 0.909 0.636 N 1.326 12 residues pruned to eliminate duplicates Z: 13 6.971 1.815 0.245 0.288 0.750 0.500 CB 1.506 13 residues pruned to eliminate duplicates Z: 16 13.001 1.806 0.440 0.567 0.867 0.400 N 1.395 16 residues pruned to eliminate duplicates Z: 11 6.764 1.673 0.274 0.403 0.900 0.400 O 1.235 11 residues pruned to eliminate duplicates Z: 12 6.860 1.655 0.116 0.607 0.909 0.545 O 1.113 12 residues pruned to eliminate duplicates Z: 37 16.101 1.893 0.425 0.482 0.833 0.500 CB 1.216 37 residues pruned to eliminate duplicates Z: 30 15.520 1.874 0.526 0.475 0.862 0.586 CB 1.200 30 residues pruned to eliminate duplicates Z: 23 10.292 1.765 0.432 0.406 0.773 0.455 CB 1.240 23 residues pruned to eliminate duplicates Z: 17 12.884 1.851 0.352 0.490 0.875 0.500 CB 1.486 17 residues pruned to eliminate duplicates Z: 20 15.204 1.847 0.520 0.582 0.895 0.579 CB 1.283 20 residues pruned to eliminate duplicates Z: 28 14.846 1.846 0.366 0.528 0.963 0.630 CB 1.144 28 residues pruned to eliminate duplicates Z: 12 16.717 1.871 0.620 0.916 1.000 0.727 CB 1.175 11 residues pruned to eliminate duplicates Z: 12 16.160 1.816 0.793 0.852 1.000 0.909 CB 1.107 12 residues pruned to eliminate duplicates Z: 18 15.103 1.845 0.468 0.730 0.882 0.706 CB 1.246 18 residues pruned to eliminate duplicates Z: 12 12.736 1.881 0.615 0.799 0.909 0.818 CB 1.071 12 residues pruned to eliminate duplicates Z: 21 13.633 1.777 0.413 0.646 0.900 0.700 CB 1.177 19 residues pruned to eliminate duplicates Z: 10 13.408 1.767 0.644 0.783 0.889 0.444 CB 1.349 11 residues pruned to eliminate duplicates Z: 9 13.896 1.925 0.709 0.692 0.875 0.750 CB 1.431 9 residues pruned to eliminate duplicates Z: 14 13.081 2.068 0.547 0.460 0.846 0.538 CB 1.395 13 residues pruned to eliminate duplicates Z: 9 12.472 1.939 0.414 0.762 1.000 0.750 CB 1.274 9 residues pruned to eliminate duplicates Z: 14 16.958 1.999 0.761 0.548 0.923 0.615 CB 1.381 12 residues pruned to eliminate duplicates Z: 8 12.196 2.052 0.403 0.816 0.857 0.857 CB 1.419 9 residues pruned to eliminate duplicates Z: 8 11.158 2.023 0.532 0.756 0.857 0.714 CB 1.264 8 residues pruned to eliminate duplicates Z: 11 4.245 1.544 0.473 0.343 0.600 0.400 CB 1.167 Z: 6 3.736 1.675 0.494 0.471 0.800 0.400 CB 0.859 6 residues pruned to eliminate duplicates Z: 14 5.048 1.546 0.301 0.421 0.846 0.231 CB 0.894 15 residues pruned to eliminate duplicates Z: 6 4.623 1.587 0.454 0.558 1.000 0.600 CB 0.847 6 residues pruned to eliminate duplicates Z: 11 7.185 1.529 0.446 0.510 0.900 0.500 CB 1.131 11 residues pruned to eliminate duplicates Z: 12 5.685 1.600 0.483 0.505 0.727 0.455 CB 0.988 12 residues pruned to eliminate duplicates Z: 12 5.633 1.606 0.462 0.431 0.727 0.364 CB 1.068 12 residues pruned to eliminate duplicates Z: 13 5.980 1.592 0.508 0.529 0.667 0.333 CB 1.048 13 residues pruned to eliminate duplicates Z: 14 7.531 1.527 0.587 0.484 0.846 0.385 CB 1.035 14 residues pruned to eliminate duplicates Z: 14 8.366 1.515 0.797 0.517 0.769 0.462 CB 1.090 14 residues pruned to eliminate duplicates Z: 9 4.484 1.411 0.460 0.514 0.750 0.250 CB 1.011 9 residues pruned to eliminate duplicates Z: 12 6.739 1.486 0.523 0.419 0.818 0.273 CB 1.194 12 residues pruned to eliminate duplicates Z: 13 5.800 1.486 0.819 0.367 0.667 0.333 CB 1.072 13 residues pruned to eliminate duplicates Z: 12 10.838 1.482 0.584 0.827 0.909 0.727 CB 1.154 12 residues pruned to eliminate duplicates Z: 14 9.508 1.818 0.210 0.687 0.846 0.692 CB 1.194 14 residues pruned to eliminate duplicates Z: 13 8.605 1.858 0.139 0.672 0.833 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 9 10.225 1.895 0.417 0.735 1.000 0.625 CB 1.090 9 residues pruned to eliminate duplicates Z: 10 10.068 1.760 0.483 0.867 1.000 0.778 CB 0.940 10 residues pruned to eliminate duplicates Z: 9 10.986 1.891 0.583 0.789 1.000 0.750 CB 1.007 9 residues pruned to eliminate duplicates Z: 11 10.862 1.817 0.437 0.789 0.900 0.700 CB 1.133 12 residues pruned to eliminate duplicates Z: 9 11.029 1.928 0.482 0.867 1.000 1.000 CB 0.998 8 residues pruned to eliminate duplicates Z: 10 13.322 1.862 0.432 0.906 1.000 0.889 CB 1.184 10 residues pruned to eliminate duplicates Z: 6 5.952 1.649 0.608 0.819 0.800 0.600 O 0.952 6 residues pruned to eliminate duplicates Z: 7 8.639 1.663 0.488 0.694 0.833 0.500 N 1.432 6 residues pruned to eliminate duplicates Z: 6 10.179 1.658 0.700 0.802 1.000 0.800 N 1.241 6 residues pruned to eliminate duplicates Z: 9 8.950 1.581 0.400 0.647 1.000 0.750 N 1.247 9 residues pruned to eliminate duplicates Z: 15 15.321 1.705 0.524 0.847 1.000 0.714 CB 1.169 15 residues pruned to eliminate duplicates Z: 10 15.239 1.633 0.719 0.831 1.000 0.778 O 1.359 11 residues pruned to eliminate duplicates Z: 14 13.602 1.709 0.448 0.878 1.000 0.923 CB 1.106 14 residues pruned to eliminate duplicates Z: 11 8.506 1.849 0.395 0.503 0.900 0.700 CB 1.155 11 residues pruned to eliminate duplicates Z: 17 12.919 1.755 0.402 0.578 0.938 0.500 CB 1.299 16 residues pruned to eliminate duplicates Z: 9 12.961 1.802 0.385 0.859 1.000 0.625 CB 1.351 13 residues pruned to eliminate duplicates Z: 8 10.562 1.817 0.302 0.851 1.000 0.714 CB 1.249 8 residues pruned to eliminate duplicates Z: 11 10.097 1.928 0.351 0.532 0.900 0.600 CB 1.320 9 residues pruned to eliminate duplicates Z: 16 7.584 1.800 0.180 0.444 0.800 0.600 CB 1.222 16 residues pruned to eliminate duplicates Z: 17 8.165 1.856 0.278 0.551 0.812 0.625 CB 1.008 13 residues pruned to eliminate duplicates Z: 19 8.146 1.809 0.213 0.532 0.889 0.722 CB 0.954 19 residues pruned to eliminate duplicates Z: 20 8.948 1.691 0.310 0.519 0.895 0.789 CB 1.015 20 residues pruned to eliminate duplicates Z: 33 14.895 1.835 0.417 0.541 0.844 0.656 CB 1.153 33 residues pruned to eliminate duplicates Z: 16 13.248 1.910 0.430 0.699 0.867 0.733 CB 1.205 16 residues pruned to eliminate duplicates Z: 28 13.842 1.828 0.483 0.528 0.889 0.556 CB 1.075 28 residues pruned to eliminate duplicates Z: 51 15.196 1.700 0.340 0.440 0.880 0.560 CB 1.140 51 residues pruned to eliminate duplicates Z: 29 11.273 1.788 0.479 0.386 0.786 0.571 CB 1.158 29 residues pruned to eliminate duplicates Z: 10 6.872 1.668 0.271 0.406 0.889 0.667 O 1.342 10 residues pruned to eliminate duplicates Z: 27 14.763 1.847 0.314 0.604 0.923 0.731 CB 1.171 27 residues pruned to eliminate duplicates Z: 11 10.134 1.857 0.566 0.610 0.900 0.700 CB 1.103 11 residues pruned to eliminate duplicates Z: 18 11.473 1.936 0.483 0.571 0.824 0.765 CB 1.100 18 residues pruned to eliminate duplicates Z: 33 14.830 1.795 0.449 0.499 0.812 0.688 CB 1.241 33 residues pruned to eliminate duplicates Z: 12 12.600 1.930 0.495 0.590 0.909 0.727 CB 1.329 12 residues pruned to eliminate duplicates Z: 51 24.245 1.824 0.498 0.628 0.900 0.720 CB 1.236 51 residues pruned to eliminate duplicates Z: 33 13.826 1.775 0.492 0.456 0.750 0.469 CB 1.288 33 residues pruned to eliminate duplicates Z: 23 13.848 1.826 0.495 0.599 0.727 0.409 CB 1.354 23 residues pruned to eliminate duplicates Z: 29 19.754 1.770 0.634 0.597 0.821 0.714 CB 1.432 29 residues pruned to eliminate duplicates Z: 34 19.877 1.878 0.543 0.653 0.848 0.697 CB 1.221 34 residues pruned to eliminate duplicates Z: 23 22.579 1.938 0.671 0.686 0.955 0.682 CB 1.312 23 residues pruned to eliminate duplicates Z: 32 24.363 1.799 0.766 0.652 0.903 0.742 CB 1.324 32 residues pruned to eliminate duplicates Z: 32 21.150 1.825 0.603 0.656 0.871 0.677 CB 1.290 32 residues pruned to eliminate duplicates Z: 25 18.082 1.799 0.649 0.608 0.792 0.625 CB 1.418 25 residues pruned to eliminate duplicates Z: 34 26.403 1.808 0.685 0.649 0.939 0.727 CB 1.399 35 residues pruned to eliminate duplicates Z: 6 4.121 1.514 0.742 0.436 0.600 0.400 CB 1.243 6 residues pruned to eliminate duplicates Z: 20 9.248 1.680 0.352 0.344 0.842 0.474 CB 1.314 20 residues pruned to eliminate duplicates Z: 7 3.026 1.482 0.207 0.234 0.833 0.333 N 1.129 7 residues pruned to eliminate duplicates Z: 25 14.103 1.787 0.648 0.521 0.875 0.333 CB 1.094 25 residues pruned to eliminate duplicates Z: 14 9.658 1.719 0.304 0.534 0.846 0.538 CB 1.367 14 residues pruned to eliminate duplicates Z: 34 23.345 1.852 0.518 0.646 0.970 0.636 CB 1.301 34 residues pruned to eliminate duplicates Z: 45 19.676 1.767 0.539 0.505 0.818 0.545 CB 1.327 45 residues pruned to eliminate duplicates Z: 15 8.544 1.637 0.566 0.719 0.857 0.571 CB 0.852 15 residues pruned to eliminate duplicates Z: 26 9.063 1.745 0.233 0.465 0.800 0.600 CB 1.091 23 residues pruned to eliminate duplicates Z: 12 6.843 1.584 0.471 0.708 0.818 0.455 CB 0.896 12 residues pruned to eliminate duplicates Z: 6 5.139 1.838 0.630 0.317 0.800 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 10 9.267 1.773 0.705 0.800 0.778 0.556 CB 1.011 10 residues pruned to eliminate duplicates Z: 22 10.503 1.716 0.519 0.596 0.810 0.429 CB 0.992 23 residues pruned to eliminate duplicates Z: 15 9.403 1.596 0.557 0.731 0.929 0.571 CB 0.884 15 residues pruned to eliminate duplicates Z: 10 15.305 1.873 0.845 0.816 1.000 0.667 CB 1.122 26 residues pruned to eliminate duplicates Z: 13 12.180 1.681 0.717 0.791 1.000 0.667 CB 0.944 11 residues pruned to eliminate duplicates Z: 14 16.341 1.626 0.923 0.851 1.000 0.615 CB 1.072 13 residues pruned to eliminate duplicates Z: 15 14.366 1.577 0.737 0.818 1.000 0.714 CB 1.064 15 residues pruned to eliminate duplicates Z: 7 4.993 1.551 0.722 0.562 0.667 0.333 CB 1.077 7 residues pruned to eliminate duplicates Z: 22 12.532 1.827 0.528 0.590 0.810 0.429 CB 1.110 14 residues pruned to eliminate duplicates Z: 7 6.280 1.437 1.229 0.269 1.000 0.333 CB 1.041 7 residues pruned to eliminate duplicates Z: 10 8.531 1.889 0.410 0.514 0.778 0.444 CB 1.353 9 residues pruned to eliminate duplicates Z: 6 2.784 1.241 0.532 0.347 1.000 0.800 O 0.773 6 residues pruned to eliminate duplicates Z: 10 4.735 1.812 0.092 0.345 0.667 0.333 O 1.416 8 residues pruned to eliminate duplicates Z: 16 11.756 1.725 0.419 0.686 0.933 0.600 CB 1.120 16 residues pruned to eliminate duplicates Z: 15 9.222 1.678 0.466 0.478 0.929 0.286 CB 1.103 15 residues pruned to eliminate duplicates Z: 14 10.155 1.670 0.614 0.624 0.846 0.385 CB 1.099 14 residues pruned to eliminate duplicates Z: 21 11.225 1.718 0.554 0.438 0.800 0.400 CB 1.253 21 residues pruned to eliminate duplicates Z: 16 10.802 1.567 0.661 0.468 0.867 0.467 CB 1.277 9 residues pruned to eliminate duplicates Z: 13 12.647 1.684 0.630 0.786 0.917 0.667 O 1.128 13 residues pruned to eliminate duplicates Z: 11 13.245 1.855 0.390 0.758 1.000 0.600 CB 1.291 11 residues pruned to eliminate duplicates Z: 9 12.260 1.805 0.545 0.820 1.000 0.750 CB 1.178 9 residues pruned to eliminate duplicates Z: 11 13.435 1.746 0.846 0.789 0.800 0.600 CB 1.278 11 residues pruned to eliminate duplicates Z: 12 12.676 1.769 0.545 0.596 0.909 0.545 CB 1.404 12 residues pruned to eliminate duplicates Z: 56 25.452 1.798 0.685 0.531 0.836 0.455 CB 1.313 66 residues pruned to eliminate duplicates Z: 17 15.691 1.680 0.849 0.874 0.938 0.688 CB 0.981 17 residues pruned to eliminate duplicates Z: 19 13.384 1.665 0.485 0.747 0.944 0.611 CB 1.083 19 residues pruned to eliminate duplicates Z: 13 10.252 1.606 0.621 0.668 0.833 0.333 CB 1.167 13 residues pruned to eliminate duplicates Z: 6 3.530 1.522 0.695 0.602 0.600 0.400 N 0.925 Z: 17 11.689 1.644 0.499 0.765 0.875 0.625 CB 1.071 23 residues pruned to eliminate duplicates Z: 19 10.922 1.695 0.372 0.586 0.889 0.333 CB 1.146 19 residues pruned to eliminate duplicates Z: 20 7.592 1.615 0.399 0.455 0.684 0.316 CB 1.179 20 residues pruned to eliminate duplicates Z: 12 4.842 1.409 0.398 0.477 0.818 0.364 N 0.927 12 residues pruned to eliminate duplicates Z: 8 9.473 1.676 0.564 0.697 0.857 0.429 N 1.331 7 residues pruned to eliminate duplicates Z: 7 7.841 1.764 0.479 0.772 0.667 0.500 O 1.447 7 residues pruned to eliminate duplicates Z: 13 9.396 1.677 0.595 0.463 0.833 0.500 CB 1.263 13 residues pruned to eliminate duplicates Z: 9 8.524 1.681 0.642 0.507 0.750 0.375 CB 1.446 9 residues pruned to eliminate duplicates Z: 8 9.965 1.810 0.724 0.585 0.714 0.286 CB 1.558 8 residues pruned to eliminate duplicates Z: 9 11.604 1.688 0.596 0.626 1.000 0.375 N 1.352 9 residues pruned to eliminate duplicates Z: 7 7.055 1.633 0.225 0.816 1.000 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 8 5.864 1.663 0.446 0.673 0.714 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 8 7.307 1.695 0.344 0.694 0.857 0.429 CB 1.185 8 residues pruned to eliminate duplicates Z: 10 8.446 1.708 0.518 0.597 0.778 0.556 CB 1.273 10 residues pruned to eliminate duplicates Z: 17 6.846 1.516 0.465 0.445 0.688 0.375 CB 1.186 17 residues pruned to eliminate duplicates Z: 10 8.243 1.646 0.514 0.735 0.889 0.333 CB 1.005 10 residues pruned to eliminate duplicates Z: 12 9.301 1.575 0.603 0.668 0.818 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 13 9.290 1.517 0.446 0.689 0.917 0.583 CB 1.122 13 residues pruned to eliminate duplicates Z: 10 9.336 1.540 0.522 0.705 1.000 0.556 CB 1.101 9 residues pruned to eliminate duplicates Z: 11 10.838 1.550 0.626 0.727 1.000 0.900 CB 1.108 10 residues pruned to eliminate duplicates Z: 6 5.559 1.559 0.621 0.737 0.800 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 10 7.615 1.486 0.623 0.566 0.889 0.444 CB 1.111 10 residues pruned to eliminate duplicates Z: 7 10.520 1.676 0.684 0.741 1.000 0.667 CB 1.226 7 residues pruned to eliminate duplicates Z: 9 9.946 1.643 0.748 0.525 1.000 0.625 CB 1.194 9 residues pruned to eliminate duplicates Z: 13 9.167 1.554 0.809 0.512 0.833 0.500 CB 1.116 13 residues pruned to eliminate duplicates Z: 6 6.663 1.585 0.848 0.548 0.800 0.600 N 1.214 6 residues pruned to eliminate duplicates Z: 8 2.702 1.677 0.346 0.177 0.571 0.000 N 1.170 Z: 20 10.198 1.495 0.424 0.595 0.947 0.526 CB 1.059 29 residues pruned to eliminate duplicates Z: 10 8.484 1.523 0.554 0.683 0.889 0.667 N 1.136 10 residues pruned to eliminate duplicates Z: 8 6.462 1.613 0.749 0.328 0.714 0.429 N 1.464 8 residues pruned to eliminate duplicates Z: 10 7.975 1.553 0.403 0.669 0.889 0.444 N 1.174 10 residues pruned to eliminate duplicates Z: 8 5.699 1.627 0.402 0.672 0.714 0.143 N 1.128 8 residues pruned to eliminate duplicates Z: 10 5.859 1.535 0.500 0.579 0.667 0.222 CB 1.180 10 residues pruned to eliminate duplicates Z: 11 7.269 1.493 0.561 0.638 0.800 0.300 CB 1.084 11 residues pruned to eliminate duplicates Z: 9 4.438 1.464 0.487 0.618 0.625 0.125 CB 1.032 9 residues pruned to eliminate duplicates Z: 10 4.092 1.271 0.695 0.398 0.889 0.556 CB 0.793 10 residues pruned to eliminate duplicates Z: 9 3.402 1.389 0.630 0.549 0.750 0.250 CB 0.675 9 residues pruned to eliminate duplicates Z: 12 8.432 1.598 0.427 0.567 0.909 0.455 CB 1.149 11 residues pruned to eliminate duplicates Z: 17 9.358 1.374 0.711 0.783 0.812 0.625 CB 0.954 17 residues pruned to eliminate duplicates Z: 10 10.824 1.596 0.431 0.832 1.000 0.889 CB 1.187 10 residues pruned to eliminate duplicates Z: 13 4.381 1.476 0.728 0.391 0.583 0.333 CB 0.954 7 residues pruned to eliminate duplicates Z: 18 11.690 1.488 0.609 0.812 0.941 0.588 CB 0.959 18 residues pruned to eliminate duplicates Z: 11 6.367 1.600 0.407 0.413 0.700 0.500 O 1.399 11 residues pruned to eliminate duplicates Z: 9 11.145 1.761 0.611 0.611 0.875 0.625 CB 1.429 9 residues pruned to eliminate duplicates Z: 10 10.598 1.644 0.504 0.604 1.000 0.778 O 1.294 12 residues pruned to eliminate duplicates Z: 9 9.575 1.675 0.633 0.844 0.875 0.875 CB 1.052 9 residues pruned to eliminate duplicates Z: 10 10.222 1.724 0.655 0.592 0.778 0.778 CB 1.406 10 residues pruned to eliminate duplicates Z: 11 5.005 1.495 0.400 0.275 0.800 0.500 O 1.220 11 residues pruned to eliminate duplicates Z: 13 8.725 1.692 0.210 0.769 0.917 0.667 CB 1.058 13 residues pruned to eliminate duplicates Z: 13 10.182 1.709 0.328 0.795 0.917 0.667 CB 1.091 13 residues pruned to eliminate duplicates Z: 13 13.766 1.731 0.545 0.811 0.917 0.750 CB 1.236 13 residues pruned to eliminate duplicates Z: 17 4.514 1.610 0.286 0.521 0.812 0.688 CB 0.657 10 residues pruned to eliminate duplicates Z: 14 14.227 1.698 0.615 0.846 0.923 0.846 CB 1.158 14 residues pruned to eliminate duplicates Z: 16 13.095 1.670 0.642 0.724 0.933 0.667 CB 1.079 16 residues pruned to eliminate duplicates Z: 15 11.927 1.686 0.458 0.769 0.929 0.714 CB 1.100 15 residues pruned to eliminate duplicates Z: 10 8.844 1.698 0.337 0.758 1.000 0.778 CB 1.032 15 residues pruned to eliminate duplicates Z: 10 4.725 1.462 0.210 0.630 0.778 0.667 O 1.013 6 residues pruned to eliminate duplicates Z: 8 5.987 1.523 0.109 0.725 0.857 0.714 O 1.275 8 residues pruned to eliminate duplicates Z: 6 5.284 1.531 0.373 0.761 0.800 0.600 N 1.115 6 residues pruned to eliminate duplicates Z: 7 4.216 1.504 0.396 0.617 0.833 0.333 CB 0.881 Z: 7 3.602 1.562 -0.070 0.589 0.833 0.500 CB 1.115 14 residues pruned to eliminate duplicates Z: 7 4.412 1.482 0.412 0.782 0.667 0.333 N 1.007 7 residues pruned to eliminate duplicates Z: 11 10.345 1.646 0.512 0.565 0.900 0.500 CB 1.371 11 residues pruned to eliminate duplicates Z: 9 10.672 1.639 0.500 0.805 1.000 0.500 O 1.176 9 residues pruned to eliminate duplicates Z: 11 10.371 1.592 0.630 0.507 0.900 0.700 N 1.395 11 residues pruned to eliminate duplicates Z: 9 13.274 1.646 0.678 0.861 1.000 0.875 CB 1.249 11 residues pruned to eliminate duplicates Z: 11 13.966 1.620 0.609 0.793 1.000 0.700 CB 1.311 9 residues pruned to eliminate duplicates Z: 11 8.917 1.562 0.324 0.824 0.900 0.700 CB 1.144 11 residues pruned to eliminate duplicates Z: 13 10.260 1.493 0.459 0.578 1.000 0.750 CB 1.262 13 residues pruned to eliminate duplicates Z: 10 11.068 1.597 0.557 0.759 1.000 0.778 CB 1.178 10 residues pruned to eliminate duplicates Z: 9 9.213 1.675 0.561 0.529 0.875 0.625 CB 1.383 10 residues pruned to eliminate duplicates Z: 9 8.297 1.687 0.290 0.753 1.000 0.500 CB 1.076 9 residues pruned to eliminate duplicates Z: 7 12.816 1.776 0.738 0.637 1.000 0.500 N 1.492 7 residues pruned to eliminate duplicates Z: 10 8.255 1.628 0.283 0.705 1.000 0.889 CB 1.093 10 residues pruned to eliminate duplicates Z: 9 8.741 1.683 0.261 0.736 0.875 0.625 CB 1.346 9 residues pruned to eliminate duplicates Z: 8 6.679 1.717 0.285 0.660 0.857 0.857 CB 1.151 8 residues pruned to eliminate duplicates Z: 11 8.705 1.599 0.364 0.714 0.900 0.600 CB 1.156 11 residues pruned to eliminate duplicates Z: 11 7.358 1.561 0.272 0.631 0.800 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 12 8.719 1.578 0.470 0.711 0.818 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 7 4.280 1.531 0.663 0.464 0.667 0.333 CB 1.067 Z: 6 5.002 1.544 0.803 0.845 1.000 0.800 CB 0.597 7 residues pruned to eliminate duplicates Z: 8 5.982 1.583 0.210 0.757 1.000 0.571 CB 0.939 6 residues pruned to eliminate duplicates Z: 7 5.523 1.731 0.503 0.622 0.833 0.500 CB 0.927 6 residues pruned to eliminate duplicates Z: 7 5.573 1.598 0.721 0.785 1.000 0.667 CB 0.644 7 residues pruned to eliminate duplicates Z: 7 3.352 1.712 0.369 0.238 0.667 0.667 N 1.187 7 residues pruned to eliminate duplicates Z: 6 4.115 1.593 0.742 0.278 0.800 0.400 N 1.066 6 residues pruned to eliminate duplicates Z: 9 3.463 1.667 0.437 0.196 0.750 0.250 CB 0.980 9 residues pruned to eliminate duplicates Z: 15 8.352 1.697 0.529 0.338 0.786 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 15 6.350 1.617 0.481 0.421 0.571 0.214 CB 1.346 15 residues pruned to eliminate duplicates Z: 9 13.118 1.767 0.561 0.621 1.000 0.625 N 1.500 9 residues pruned to eliminate duplicates Z: 15 9.113 1.689 0.568 0.361 0.786 0.429 CB 1.359 15 residues pruned to eliminate duplicates Z: 19 7.846 1.662 0.251 0.451 0.722 0.500 N 1.295 15 residues pruned to eliminate duplicates Z: 16 14.824 1.603 0.544 0.867 0.933 0.667 CB 1.212 15 residues pruned to eliminate duplicates Z: 14 13.764 1.623 0.577 0.800 0.923 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 9 11.661 1.670 0.576 0.769 0.875 0.875 N 1.411 9 residues pruned to eliminate duplicates Z: 16 11.257 1.663 0.478 0.573 0.867 0.667 CB 1.271 16 residues pruned to eliminate duplicates Z: 20 13.267 1.643 0.601 0.620 0.789 0.368 CB 1.309 20 residues pruned to eliminate duplicates Z: 18 6.936 1.502 0.376 0.548 0.706 0.353 O 1.101 18 residues pruned to eliminate duplicates Z: 24 9.226 1.630 0.468 0.539 0.696 0.391 CB 1.113 24 residues pruned to eliminate duplicates Z: 11 3.823 1.528 0.434 0.511 0.600 0.100 CB 0.910 11 residues pruned to eliminate duplicates Z: 9 3.444 1.446 0.236 0.480 0.750 0.250 CB 0.927 Z: 10 5.431 1.430 0.793 0.814 0.667 0.444 CB 0.806 16 residues pruned to eliminate duplicates Z: 9 5.730 1.358 0.447 0.760 0.875 0.625 CB 0.935 8 residues pruned to eliminate duplicates Z: 10 4.915 1.352 0.601 0.849 0.889 0.778 CB 0.631 10 residues pruned to eliminate duplicates Z: 9 2.074 1.534 0.147 0.149 0.625 0.375 CB 1.027 6 1.557 1.359 0.440 0.250 0.600 0.600 CB 0.790 ? Z: 8 3.901 1.515 0.054 0.413 1.000 0.286 CB 1.011 8 residues pruned to eliminate duplicates Z: 10 4.646 1.870 -0.085 0.460 0.889 0.333 CB 1.060 10 residues pruned to eliminate duplicates Z: 11 6.002 1.877 -0.018 0.441 1.000 0.600 CB 1.094 10 residues pruned to eliminate duplicates Z: 16 13.637 1.806 0.508 0.736 0.933 0.733 CB 1.120 14 residues pruned to eliminate duplicates Z: 9 8.480 1.922 0.456 0.680 0.875 0.625 CB 1.038 9 residues pruned to eliminate duplicates Z: 34 12.871 1.751 0.498 0.494 0.758 0.485 CB 1.134 37 residues pruned to eliminate duplicates Z: 14 13.563 1.859 0.339 0.912 1.000 0.923 CB 1.070 14 residues pruned to eliminate duplicates Z: 14 12.993 1.874 0.262 0.741 0.923 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 21 9.018 1.689 0.336 0.607 0.800 0.700 CB 1.009 21 residues pruned to eliminate duplicates Z: 18 11.872 1.807 0.345 0.645 0.824 0.588 CB 1.257 18 residues pruned to eliminate duplicates Z: 14 8.766 1.805 0.390 0.644 0.769 0.462 CB 1.101 14 residues pruned to eliminate duplicates Z: 20 11.981 1.795 0.519 0.511 0.842 0.316 CB 1.184 20 residues pruned to eliminate duplicates Z: 11 10.380 1.906 0.443 0.819 0.800 0.600 CB 1.131 11 residues pruned to eliminate duplicates Z: 11 12.352 1.951 0.395 0.867 0.900 0.700 CB 1.166 11 residues pruned to eliminate duplicates Z: 16 10.927 1.827 0.521 0.771 0.867 0.667 CB 0.922 16 residues pruned to eliminate duplicates Z: 18 11.239 1.769 0.288 0.625 0.941 0.588 CB 1.130 18 residues pruned to eliminate duplicates Z: 14 12.064 1.855 0.508 0.784 0.846 0.769 CB 1.101 14 residues pruned to eliminate duplicates Z: 13 7.740 1.770 0.800 0.310 0.667 0.500 CB 1.299 13 residues pruned to eliminate duplicates Z: 9 8.510 1.884 0.916 0.555 0.625 0.625 N 1.264 Z: 8 10.202 1.918 0.769 0.566 0.857 0.429 O 1.243 17 residues pruned to eliminate duplicates Z: 12 10.081 1.817 0.890 0.377 0.818 0.545 CB 1.233 12 residues pruned to eliminate duplicates Z: 15 19.415 1.752 0.790 0.837 1.000 0.500 CB 1.238 13 residues pruned to eliminate duplicates Z: 16 25.673 1.831 1.016 0.893 1.000 0.600 CB 1.289 15 residues pruned to eliminate duplicates Z: 16 23.916 1.878 0.987 0.866 0.933 0.733 CB 1.299 16 residues pruned to eliminate duplicates Z: 15 17.286 1.870 0.921 0.682 0.786 0.571 CB 1.385 15 residues pruned to eliminate duplicates Z: 21 13.497 1.769 0.651 0.477 0.850 0.500 CB 1.244 21 residues pruned to eliminate duplicates Z: 14 18.454 1.872 0.803 0.667 0.923 0.615 CB 1.407 14 residues pruned to eliminate duplicates Z: 18 19.913 1.798 0.847 0.590 0.941 0.765 CB 1.417 18 residues pruned to eliminate duplicates Z: 20 14.752 1.827 0.750 0.511 0.789 0.579 CB 1.326 20 residues pruned to eliminate duplicates Z: 13 14.413 1.891 0.797 0.691 0.750 0.667 CB 1.371 13 residues pruned to eliminate duplicates Z: 12 8.844 1.783 0.543 0.408 0.818 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 16 16.118 1.740 0.948 0.710 0.867 0.667 CB 1.170 16 residues pruned to eliminate duplicates Z: 7 3.059 1.471 0.464 0.363 0.667 0.500 N 1.007 Z: 12 6.312 1.756 0.274 0.720 0.818 0.636 CB 0.852 12 residues pruned to eliminate duplicates Z: 8 4.330 1.669 0.189 0.416 0.714 0.000 CB 1.261 Z: 10 7.279 1.834 0.371 0.679 0.889 0.778 CB 0.920 4 residues pruned to eliminate duplicates Z: 9 6.983 1.779 0.210 0.755 1.000 0.750 CB 0.914 16 residues pruned to eliminate duplicates Z: 9 6.891 1.778 0.333 0.597 0.875 0.500 CB 1.071 9 residues pruned to eliminate duplicates Z: 15 8.328 1.549 0.515 0.459 0.929 0.357 CB 1.065 15 residues pruned to eliminate duplicates Z: 12 7.055 1.716 0.649 0.718 0.818 0.636 CB 0.754 12 residues pruned to eliminate duplicates Z: 7 5.304 1.832 0.661 0.688 0.833 0.667 CB 0.718 7 residues pruned to eliminate duplicates Z: 9 7.516 1.738 0.804 0.525 0.750 0.625 CB 1.103 9 residues pruned to eliminate duplicates Z: 13 8.377 1.755 0.456 0.614 0.917 0.500 CB 0.927 14 residues pruned to eliminate duplicates Z: 10 9.232 1.768 0.448 0.793 1.000 0.889 CB 0.930 9 residues pruned to eliminate duplicates Z: 7 8.068 1.761 0.618 0.781 1.000 1.000 CB 0.903 7 residues pruned to eliminate duplicates Z: 8 5.479 1.522 0.634 0.843 1.000 0.714 CB 0.620 Z: 8 6.468 1.521 0.595 0.735 0.857 0.571 CB 0.952 7 residues pruned to eliminate duplicates Z: 7 4.624 1.505 0.381 0.857 1.000 1.000 CB 0.670 7 residues pruned to eliminate duplicates Z: 8 5.877 1.536 0.221 0.697 1.000 0.429 CB 0.990 Z: 7 6.167 1.587 0.520 0.858 1.000 0.667 CB 0.769 6 residues pruned to eliminate duplicates Z: 8 8.865 1.658 0.524 0.858 1.000 0.714 CB 0.976 7 residues pruned to eliminate duplicates Z: 8 4.474 1.585 0.369 0.769 0.714 0.286 CB 0.860 8 residues pruned to eliminate duplicates Z: 9 5.291 1.559 0.309 0.751 0.875 0.875 CB 0.837 9 residues pruned to eliminate duplicates Z: 7 6.317 1.673 0.381 0.841 0.833 0.500 CB 0.999 7 residues pruned to eliminate duplicates Z: 7 7.081 1.585 0.542 0.840 0.833 0.833 CB 1.059 7 residues pruned to eliminate duplicates Z: 7 10.445 1.818 0.806 0.605 0.833 0.667 O 1.411 7 residues pruned to eliminate duplicates Z: 6 5.151 1.710 1.052 0.330 0.600 0.400 CB 1.318 6 residues pruned to eliminate duplicates Z: 9 10.607 1.906 0.736 0.404 0.875 0.750 CB 1.432 7 residues pruned to eliminate duplicates Z: 10 8.905 1.696 0.218 0.672 1.000 1.000 CB 1.226 8 residues pruned to eliminate duplicates Z: 9 11.773 1.779 0.394 0.880 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 10 10.475 1.663 0.375 0.885 0.889 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 11 10.377 1.809 0.171 0.693 1.000 0.600 CB 1.299 11 residues pruned to eliminate duplicates Z: 8 9.856 1.701 0.593 0.765 1.000 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 10 8.085 1.840 0.086 0.730 0.889 0.667 CB 1.234 10 residues pruned to eliminate duplicates Z: 10 7.691 1.761 0.161 0.686 0.889 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 7 11.146 1.856 0.492 0.856 1.000 0.833 CB 1.212 7 residues pruned to eliminate duplicates Z: 8 9.518 1.800 0.589 0.818 1.000 0.571 CB 0.955 9 residues pruned to eliminate duplicates Z: 8 9.289 1.793 0.766 0.864 1.000 0.857 CB 0.813 8 residues pruned to eliminate duplicates Z: 9 6.306 1.583 0.549 0.549 0.750 0.500 CB 1.155 7 residues pruned to eliminate duplicates Z: 8 11.205 1.791 0.619 0.829 1.000 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 11 8.641 1.520 0.857 0.652 0.800 0.300 CB 1.050 9 residues pruned to eliminate duplicates Z: 7 6.752 1.663 0.816 0.795 0.833 0.500 CB 0.846 7 residues pruned to eliminate duplicates Z: 8 6.690 1.791 0.790 0.763 0.714 0.714 CB 0.874 8 residues pruned to eliminate duplicates Z: 12 10.483 1.667 0.636 0.695 0.909 0.455 CB 1.067 12 residues pruned to eliminate duplicates Z: 13 10.854 1.600 0.484 0.720 1.000 0.583 CB 1.081 14 residues pruned to eliminate duplicates Z: 8 15.719 1.708 0.791 0.910 1.000 0.857 O 1.378 10 residues pruned to eliminate duplicates Z: 9 14.509 1.694 0.589 0.826 1.000 0.875 CB 1.436 8 residues pruned to eliminate duplicates Z: 8 15.606 1.768 0.677 0.863 1.000 0.857 O 1.460 8 residues pruned to eliminate duplicates Z: 21 12.622 1.736 0.485 0.495 0.800 0.500 CB 1.376 21 residues pruned to eliminate duplicates Z: 7 10.605 1.716 0.755 0.567 1.000 0.500 O 1.347 6 residues pruned to eliminate duplicates Z: 7 12.891 1.712 0.848 0.844 0.833 0.833 O 1.484 7 residues pruned to eliminate duplicates Z: 7 7.813 1.669 1.114 0.575 0.667 0.667 O 1.261 7 residues pruned to eliminate duplicates Z: 11 7.947 1.710 0.719 0.620 0.800 0.500 N 0.955 13 residues pruned to eliminate duplicates Z: 10 11.566 1.520 0.676 0.761 1.000 0.556 CB 1.200 10 residues pruned to eliminate duplicates 7 1.423 1.346 0.416 0.386 0.500 0.333 CB 0.687 ? Z: 8 2.701 1.352 0.360 0.372 1.000 0.286 CB 0.637 Z: 7 5.487 1.518 0.648 0.797 0.833 0.500 CB 0.828 8 residues pruned to eliminate duplicates Z: 8 3.900 1.380 0.857 0.553 0.857 0.143 CB 0.637 6 residues pruned to eliminate duplicates Z: 6 2.630 1.451 0.735 0.347 0.800 0.600 CB 0.689 10 residues pruned to eliminate duplicates Z: 7 7.473 1.290 1.233 0.519 1.000 0.167 N 1.039 7 residues pruned to eliminate duplicates Z: 17 9.604 1.813 0.414 0.400 0.875 0.688 CB 1.190 17 residues pruned to eliminate duplicates Z: 10 4.787 1.783 0.425 0.193 0.778 0.444 N 1.165 10 residues pruned to eliminate duplicates Z: 21 9.808 1.706 0.373 0.373 0.900 0.450 CB 1.192 21 residues pruned to eliminate duplicates Z: 10 8.423 1.893 0.475 0.197 1.000 0.667 CB 1.444 10 residues pruned to eliminate duplicates Z: 14 9.754 1.828 0.694 0.424 0.923 0.769 CB 1.025 14 residues pruned to eliminate duplicates Z: 14 7.381 1.762 0.380 0.323 0.846 0.462 CB 1.209 14 residues pruned to eliminate duplicates Z: 21 14.204 1.802 0.359 0.504 1.000 0.650 CB 1.292 21 residues pruned to eliminate duplicates Z: 18 11.766 1.800 0.512 0.491 0.882 0.765 CB 1.199 18 residues pruned to eliminate duplicates Z: 11 9.918 1.728 0.537 0.855 1.000 0.900 CB 0.872 11 residues pruned to eliminate duplicates Z: 11 10.327 1.713 0.401 0.869 1.000 0.800 CB 0.994 11 residues pruned to eliminate duplicates Z: 11 10.632 1.739 0.513 0.911 1.000 0.900 CB 0.906 11 residues pruned to eliminate duplicates Z: 27 16.315 1.751 0.464 0.524 0.923 0.654 CB 1.321 27 residues pruned to eliminate duplicates Z: 26 12.686 1.761 0.472 0.462 0.840 0.520 CB 1.212 26 residues pruned to eliminate duplicates Z: 19 12.807 1.794 0.477 0.569 0.944 0.611 CB 1.127 19 residues pruned to eliminate duplicates Z: 26 9.984 1.717 0.272 0.379 0.840 0.680 CB 1.239 26 residues pruned to eliminate duplicates Z: 6 7.331 1.520 0.820 0.828 1.000 0.600 CB 0.893 5 residues pruned to eliminate duplicates Z: 6 2.882 1.580 -0.114 0.729 0.800 0.600 CB 0.936 5 residues pruned to eliminate duplicates Z: 13 11.183 1.751 0.379 0.751 0.917 0.750 CB 1.166 12 residues pruned to eliminate duplicates Z: 14 10.761 1.686 0.427 0.681 0.923 0.615 CB 1.138 14 residues pruned to eliminate duplicates Z: 10 10.888 1.709 0.415 0.859 1.000 0.889 CB 1.104 10 residues pruned to eliminate duplicates Z: 15 13.357 1.750 0.470 0.562 1.000 0.571 CB 1.306 18 residues pruned to eliminate duplicates Z: 11 12.762 1.764 0.573 0.826 1.000 0.700 CB 1.096 11 residues pruned to eliminate duplicates Z: 14 10.043 1.803 0.242 0.590 0.923 0.615 CB 1.236 14 residues pruned to eliminate duplicates Z: 16 8.635 1.741 0.321 0.483 0.800 0.667 CB 1.233 16 residues pruned to eliminate duplicates Z: 12 9.517 1.741 0.436 0.724 0.909 0.818 CB 1.031 12 residues pruned to eliminate duplicates Z: 17 9.565 1.712 0.447 0.418 0.812 0.688 CB 1.293 17 residues pruned to eliminate duplicates Z: 11 9.601 1.754 0.650 0.761 0.900 0.700 CB 0.924 11 residues pruned to eliminate duplicates Z: 14 7.580 1.718 0.637 0.427 0.615 0.462 CB 1.310 14 residues pruned to eliminate duplicates Z: 19 10.464 1.647 0.768 0.411 0.722 0.500 CB 1.287 17 residues pruned to eliminate duplicates Z: 7 4.491 1.456 0.429 0.429 1.000 0.333 N 0.949 6 residues pruned to eliminate duplicates Z: 14 19.344 1.914 0.678 0.797 0.846 0.769 CB 1.522 14 residues pruned to eliminate duplicates Z: 13 22.597 1.936 0.721 0.861 0.917 0.667 CB 1.569 13 residues pruned to eliminate duplicates Z: 32 17.475 1.713 0.753 0.499 0.871 0.581 CB 1.202 32 residues pruned to eliminate duplicates Z: 14 22.222 1.919 0.569 0.896 1.000 0.846 CB 1.466 14 residues pruned to eliminate duplicates Z: 14 22.340 1.929 0.606 0.773 1.000 0.692 CB 1.571 14 residues pruned to eliminate duplicates Z: 26 21.201 1.903 0.740 0.618 0.920 0.800 CB 1.245 26 residues pruned to eliminate duplicates Z: 25 18.167 1.902 0.543 0.585 0.917 0.750 CB 1.270 25 residues pruned to eliminate duplicates Z: 33 14.215 1.842 0.530 0.462 0.812 0.562 CB 1.140 33 residues pruned to eliminate duplicates Z: 22 13.367 1.834 0.544 0.511 0.905 0.619 CB 1.126 21 residues pruned to eliminate duplicates Z: 13 20.291 1.966 0.643 0.799 1.000 0.833 CB 1.396 13 residues pruned to eliminate duplicates Z: 56 32.107 1.917 0.490 0.689 1.000 0.745 CB 1.275 56 residues pruned to eliminate duplicates Z: 21 21.048 1.910 0.624 0.670 0.950 0.700 CB 1.364 23 residues pruned to eliminate duplicates Z: 15 16.923 1.846 0.608 0.830 0.857 0.786 CB 1.337 15 residues pruned to eliminate duplicates Z: 24 11.230 1.869 0.597 0.410 0.783 0.565 CB 1.102 24 residues pruned to eliminate duplicates Z: 23 22.363 1.864 0.801 0.644 1.000 0.636 CB 1.241 23 residues pruned to eliminate duplicates Z: 24 14.257 1.865 0.615 0.425 0.870 0.478 CB 1.226 24 residues pruned to eliminate duplicates Z: 8 6.812 1.810 0.587 0.454 1.000 0.286 CB 0.939 8 residues pruned to eliminate duplicates Z: 23 12.672 1.925 0.489 0.428 0.864 0.545 CB 1.177 23 residues pruned to eliminate duplicates Z: 21 9.489 1.859 0.513 0.409 0.800 0.400 CB 1.037 21 residues pruned to eliminate duplicates Z: 19 6.558 1.802 0.561 0.335 0.667 0.389 CB 0.987 19 residues pruned to eliminate duplicates Z: 36 16.910 1.934 0.329 0.601 0.829 0.686 CB 1.218 36 residues pruned to eliminate duplicates Z: 28 11.286 1.748 0.576 0.361 0.815 0.333 CB 1.124 28 residues pruned to eliminate duplicates Z: 34 19.835 1.996 0.347 0.586 0.909 0.667 CB 1.300 34 residues pruned to eliminate duplicates Z: 35 22.257 1.989 0.577 0.535 0.853 0.559 CB 1.378 35 residues pruned to eliminate duplicates Z: 33 21.448 1.986 0.424 0.600 0.812 0.625 CB 1.499 33 residues pruned to eliminate duplicates Z: 27 15.028 1.966 0.500 0.553 0.731 0.500 CB 1.299 27 residues pruned to eliminate duplicates Z: 38 21.676 1.927 0.399 0.610 0.919 0.595 CB 1.296 38 residues pruned to eliminate duplicates Z: 16 21.781 2.159 0.523 0.752 0.867 0.800 CB 1.575 16 residues pruned to eliminate duplicates Z: 37 25.376 1.991 0.652 0.670 0.833 0.611 CB 1.319 37 residues pruned to eliminate duplicates Z: 41 21.357 1.941 0.639 0.526 0.825 0.525 CB 1.254 41 residues pruned to eliminate duplicates Z: 48 23.851 1.946 0.588 0.528 0.830 0.426 CB 1.319 48 residues pruned to eliminate duplicates Z: 29 23.451 2.049 0.855 0.621 0.893 0.536 CB 1.165 29 residues pruned to eliminate duplicates Z: 26 21.432 2.031 0.689 0.590 0.880 0.640 CB 1.303 26 residues pruned to eliminate duplicates Z: 41 25.444 1.935 0.618 0.689 0.850 0.475 CB 1.272 41 residues pruned to eliminate duplicates Z: 36 19.871 1.895 0.771 0.591 0.800 0.286 CB 1.147 36 residues pruned to eliminate duplicates Z: 43 30.252 1.958 0.715 0.725 0.857 0.381 CB 1.324 43 residues pruned to eliminate duplicates Z: 26 28.430 1.948 0.996 0.808 0.960 0.280 CB 1.165 26 residues pruned to eliminate duplicates Z: 38 24.066 1.990 0.881 0.633 0.784 0.324 CB 1.190 38 residues pruned to eliminate duplicates Z: 13 16.131 1.954 1.230 0.711 0.667 0.250 CB 1.323 13 residues pruned to eliminate duplicates Z: 53 30.158 1.949 0.750 0.573 0.846 0.365 CB 1.350 53 residues pruned to eliminate duplicates Z: 27 33.906 2.022 0.935 0.692 0.923 0.269 CB 1.545 27 residues pruned to eliminate duplicates Z: 41 27.660 1.971 0.798 0.645 0.800 0.350 CB 1.347 41 residues pruned to eliminate duplicates Z: 44 29.387 1.997 0.743 0.588 0.860 0.419 CB 1.375 44 residues pruned to eliminate duplicates Z: 29 27.125 1.926 0.840 0.616 0.893 0.607 CB 1.452 29 residues pruned to eliminate duplicates Z: 39 34.803 1.985 0.852 0.733 0.921 0.316 CB 1.352 39 residues pruned to eliminate duplicates Z: 31 22.007 1.982 0.821 0.747 0.733 0.400 CB 1.218 31 residues pruned to eliminate duplicates Z: 28 16.686 1.936 0.707 0.559 0.741 0.407 CB 1.240 28 residues pruned to eliminate duplicates Z: 13 18.344 1.896 0.830 0.616 0.917 0.583 CB 1.492 13 residues pruned to eliminate duplicates Z: 49 36.524 1.991 0.820 0.665 0.896 0.604 CB 1.394 49 residues pruned to eliminate duplicates Z: 13 10.589 1.879 0.597 0.459 0.750 0.583 CB 1.417 13 residues pruned to eliminate duplicates Z: 10 7.108 1.829 0.608 0.479 0.667 0.444 CB 1.235 10 residues pruned to eliminate duplicates Z: 64 31.742 1.915 0.688 0.576 0.905 0.508 CB 1.271 62 residues pruned to eliminate duplicates Z: 15 13.132 1.860 0.337 0.826 0.929 0.571 CB 1.146 14 residues pruned to eliminate duplicates Z: 13 10.237 1.777 0.459 0.758 0.917 0.833 CB 0.988 13 residues pruned to eliminate duplicates Z: 15 9.700 1.851 0.446 0.694 0.857 0.571 CB 0.947 15 residues pruned to eliminate duplicates Z: 22 16.601 1.945 0.534 0.630 0.905 0.667 CB 1.187 25 residues pruned to eliminate duplicates Z: 14 13.472 1.699 0.817 0.849 0.923 0.769 CB 0.972 14 residues pruned to eliminate duplicates Z: 15 14.622 1.917 0.524 0.704 0.857 0.571 CB 1.296 15 residues pruned to eliminate duplicates Z: 13 17.056 1.819 0.760 0.837 0.917 0.667 CB 1.255 13 residues pruned to eliminate duplicates Z: 17 12.405 1.927 0.563 0.643 0.812 0.562 CB 1.108 16 residues pruned to eliminate duplicates Z: 11 18.151 1.953 0.776 0.909 1.000 0.600 CB 1.175 14 residues pruned to eliminate duplicates Z: 12 13.961 1.946 0.777 0.783 0.818 0.818 CB 1.159 12 residues pruned to eliminate duplicates Z: 13 12.455 1.987 0.520 0.686 0.833 0.667 CB 1.205 13 residues pruned to eliminate duplicates Z: 22 14.287 1.910 0.437 0.571 0.857 0.476 CB 1.238 22 residues pruned to eliminate duplicates Z: 14 10.715 1.991 0.516 0.636 0.769 0.615 CB 1.127 14 residues pruned to eliminate duplicates Z: 22 12.394 1.908 0.431 0.550 0.810 0.524 CB 1.166 22 residues pruned to eliminate duplicates Z: 16 11.362 1.958 0.469 0.596 0.800 0.600 CB 1.163 16 residues pruned to eliminate duplicates Z: 22 13.380 1.878 0.522 0.590 0.857 0.571 CB 1.093 22 residues pruned to eliminate duplicates Z: 28 13.705 1.824 0.586 0.485 0.815 0.444 CB 1.136 28 residues pruned to eliminate duplicates Z: 31 13.516 1.857 0.396 0.414 0.833 0.400 CB 1.250 31 residues pruned to eliminate duplicates Z: 7 3.821 1.874 0.337 0.342 0.833 0.500 CB 0.887 7 residues pruned to eliminate duplicates Z: 27 12.072 1.814 0.514 0.331 0.808 0.269 CB 1.285 27 residues pruned to eliminate duplicates Z: 10 7.243 1.804 0.486 0.502 0.667 0.444 CB 1.348 11 residues pruned to eliminate duplicates Z: 8 7.918 1.786 0.456 0.566 0.857 0.714 CB 1.259 8 residues pruned to eliminate duplicates Z: 47 16.298 1.847 0.584 0.464 0.804 0.500 CB 1.059 55 residues pruned to eliminate duplicates Z: 7 4.907 1.796 0.637 0.750 0.833 0.667 CB 0.654 7 residues pruned to eliminate duplicates Z: 8 11.438 1.811 0.961 0.653 1.000 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 9 10.972 1.815 0.923 0.575 0.750 0.500 CB 1.378 9 residues pruned to eliminate duplicates Z: 7 10.338 2.023 0.305 0.738 1.000 0.833 CB 1.291 7 residues pruned to eliminate duplicates Z: 7 11.999 1.961 0.618 0.723 1.000 0.833 CB 1.262 7 residues pruned to eliminate duplicates Z: 16 10.586 1.838 0.644 0.497 0.867 0.600 CB 1.047 21 residues pruned to eliminate duplicates Z: 6 3.110 1.413 1.046 0.244 0.800 0.400 O 0.809 6 residues pruned to eliminate duplicates Z: 9 5.494 1.686 0.544 0.438 1.000 0.625 CB 0.796 7 residues pruned to eliminate duplicates Z: 8 2.875 1.306 0.714 0.373 0.714 0.571 CB 0.779 8 residues pruned to eliminate duplicates Z: 23 14.266 1.912 0.766 0.465 0.818 0.500 CB 1.140 9 residues pruned to eliminate duplicates Z: 6 7.886 1.588 0.738 0.375 1.000 0.400 O 1.460 6 residues pruned to eliminate duplicates Z: 18 4.694 1.828 0.183 0.109 0.765 0.471 CB 1.130 18 residues pruned to eliminate duplicates Z: 12 5.472 1.927 0.361 0.274 0.727 0.636 CB 1.118 12 residues pruned to eliminate duplicates Z: 12 7.645 1.857 0.300 0.420 0.818 0.273 CB 1.268 12 residues pruned to eliminate duplicates Z: 20 9.509 1.965 0.347 0.364 0.789 0.526 CB 1.209 20 residues pruned to eliminate duplicates Z: 8 8.423 1.925 0.663 0.560 0.714 0.286 CB 1.313 8 residues pruned to eliminate duplicates Z: 12 9.840 1.898 0.719 0.479 0.818 0.455 CB 1.136 12 residues pruned to eliminate duplicates Z: 14 8.635 1.887 0.455 0.402 0.615 0.154 N 1.571 14 residues pruned to eliminate duplicates Z: 21 9.390 1.943 0.395 0.367 0.700 0.250 CB 1.276 21 residues pruned to eliminate duplicates Z: 17 8.321 1.909 0.470 0.377 0.688 0.438 CB 1.230 17 residues pruned to eliminate duplicates Z: 21 6.731 1.893 0.230 0.284 0.750 0.350 CB 1.099 21 residues pruned to eliminate duplicates Z: 14 8.000 1.998 0.217 0.434 0.692 0.462 CB 1.410 14 residues pruned to eliminate duplicates Z: 17 11.156 1.952 0.572 0.367 0.812 0.312 CB 1.290 17 residues pruned to eliminate duplicates Z: 20 8.857 1.937 0.292 0.319 0.789 0.368 CB 1.256 20 residues pruned to eliminate duplicates Z: 18 10.089 1.930 0.333 0.325 0.882 0.647 CB 1.305 18 residues pruned to eliminate duplicates Z: 38 16.451 1.997 0.447 0.326 0.838 0.432 CB 1.353 38 residues pruned to eliminate duplicates Z: 16 11.418 1.885 0.761 0.291 0.867 0.333 CB 1.295 16 residues pruned to eliminate duplicates Z: 17 9.941 1.951 0.505 0.363 0.812 0.438 CB 1.208 17 residues pruned to eliminate duplicates Z: 26 15.639 1.857 0.486 0.440 0.920 0.520 CB 1.310 26 residues pruned to eliminate duplicates Z: 37 16.743 1.902 0.645 0.345 0.722 0.500 CB 1.462 37 residues pruned to eliminate duplicates Z: 24 14.146 1.949 0.616 0.314 0.826 0.478 CB 1.393 24 residues pruned to eliminate duplicates Z: 19 6.405 1.875 0.154 0.210 0.889 0.444 CB 1.106 19 residues pruned to eliminate duplicates Z: 33 15.470 1.916 0.446 0.383 0.812 0.469 CB 1.376 33 residues pruned to eliminate duplicates Z: 28 13.830 1.951 0.478 0.379 0.815 0.556 CB 1.289 28 residues pruned to eliminate duplicates Z: 14 7.489 1.854 0.238 0.278 0.846 0.462 CB 1.374 14 residues pruned to eliminate duplicates Z: 31 13.699 1.907 0.409 0.467 0.867 0.633 CB 1.111 31 residues pruned to eliminate duplicates Z: 28 14.508 1.919 0.338 0.401 0.889 0.556 CB 1.359 28 residues pruned to eliminate duplicates Z: 27 18.277 1.959 0.509 0.477 0.962 0.615 CB 1.291 27 residues pruned to eliminate duplicates Z: 34 15.532 1.923 0.516 0.374 0.788 0.485 CB 1.347 34 residues pruned to eliminate duplicates Z: 27 10.317 1.910 0.283 0.375 0.808 0.500 CB 1.169 27 residues pruned to eliminate duplicates Z: 9 12.543 1.993 0.466 0.547 1.000 0.625 CB 1.449 9 residues pruned to eliminate duplicates Z: 24 14.980 1.980 0.610 0.442 0.870 0.609 CB 1.197 24 residues pruned to eliminate duplicates Z: 40 16.839 1.938 0.442 0.345 0.872 0.590 CB 1.310 40 residues pruned to eliminate duplicates Z: 12 13.354 1.949 0.673 0.629 1.000 0.455 CB 1.094 12 residues pruned to eliminate duplicates Z: 17 15.833 1.862 0.620 0.513 1.000 0.500 CB 1.295 18 residues pruned to eliminate duplicates Z: 12 13.661 1.947 0.697 0.746 0.909 0.636 CB 1.100 12 residues pruned to eliminate duplicates Z: 30 16.711 1.870 0.593 0.473 0.862 0.483 CB 1.242 30 residues pruned to eliminate duplicates Z: 39 18.846 1.936 0.485 0.442 0.816 0.447 CB 1.384 39 residues pruned to eliminate duplicates Z: 40 18.503 1.935 0.490 0.416 0.846 0.538 CB 1.325 40 residues pruned to eliminate duplicates Z: 12 15.594 1.978 0.816 0.616 0.909 0.545 CB 1.289 8 residues pruned to eliminate duplicates Z: 12 21.783 1.982 0.873 0.704 1.000 0.727 O 1.470 14 residues pruned to eliminate duplicates Z: 16 19.362 1.872 0.845 0.718 1.000 0.600 CB 1.189 16 residues pruned to eliminate duplicates Z: 15 18.902 1.917 1.048 0.616 1.000 0.500 CB 1.153 14 residues pruned to eliminate duplicates Z: 15 27.921 1.997 0.993 0.876 1.000 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 26 15.619 1.835 0.784 0.384 0.840 0.520 CB 1.285 26 residues pruned to eliminate duplicates Z: 18 25.209 1.945 0.900 0.657 0.941 0.647 CB 1.520 18 residues pruned to eliminate duplicates Z: 19 19.471 1.886 0.928 0.572 0.833 0.500 CB 1.413 19 residues pruned to eliminate duplicates Z: 19 20.900 1.798 0.931 0.606 1.000 0.500 CB 1.283 20 residues pruned to eliminate duplicates Z: 15 29.051 2.006 0.964 0.844 1.000 0.786 CB 1.466 15 residues pruned to eliminate duplicates Z: 24 28.025 1.977 0.973 0.625 0.913 0.522 CB 1.459 24 residues pruned to eliminate duplicates Z: 34 29.183 1.915 0.869 0.672 0.909 0.515 CB 1.332 34 residues pruned to eliminate duplicates Z: 8 7.756 1.869 0.123 0.818 0.857 0.714 CB 1.236 8 residues pruned to eliminate duplicates Z: 21 13.433 1.843 0.616 0.497 0.800 0.450 CB 1.264 21 residues pruned to eliminate duplicates Z: 18 11.280 1.847 0.624 0.588 0.765 0.529 CB 1.096 18 residues pruned to eliminate duplicates Z: 65 31.075 1.978 0.690 0.464 0.875 0.500 CB 1.376 65 residues pruned to eliminate duplicates Z: 43 18.537 1.916 0.334 0.445 0.881 0.524 CB 1.345 43 residues pruned to eliminate duplicates Z: 40 18.118 1.885 0.640 0.386 0.744 0.436 CB 1.425 40 residues pruned to eliminate duplicates Z: 26 10.566 1.966 0.158 0.379 0.840 0.440 CB 1.257 26 residues pruned to eliminate duplicates Z: 17 8.486 1.985 0.093 0.378 0.875 0.250 CB 1.273 17 residues pruned to eliminate duplicates Z: 34 9.468 1.899 0.227 0.308 0.727 0.364 CB 1.203 34 residues pruned to eliminate duplicates Z: 20 10.059 1.967 0.279 0.399 0.789 0.368 CB 1.292 20 residues pruned to eliminate duplicates Z: 23 14.270 1.988 0.347 0.423 0.864 0.364 CB 1.425 23 residues pruned to eliminate duplicates Z: 15 8.495 2.039 0.251 0.314 0.714 0.286 CB 1.531 15 residues pruned to eliminate duplicates Z: 40 10.134 1.890 0.365 0.264 0.718 0.308 CB 1.146 40 residues pruned to eliminate duplicates Z: 35 20.061 2.052 0.469 0.505 0.794 0.529 CB 1.431 35 residues pruned to eliminate duplicates Z: 18 7.566 1.936 0.282 0.151 0.765 0.235 CB 1.485 18 residues pruned to eliminate duplicates Z: 10 5.626 1.973 -0.025 0.489 0.778 0.556 CB 1.267 10 residues pruned to eliminate duplicates Z: 44 30.795 1.941 0.608 0.631 0.930 0.558 CB 1.430 44 residues pruned to eliminate duplicates Z: 16 17.796 1.863 0.366 0.749 1.000 0.667 CB 1.447 16 residues pruned to eliminate duplicates Z: 17 13.565 1.806 0.307 0.772 0.875 0.688 CB 1.290 17 residues pruned to eliminate duplicates Z: 14 13.595 1.815 0.327 0.777 0.923 0.538 CB 1.328 14 residues pruned to eliminate duplicates Z: 40 22.882 1.943 0.482 0.523 0.846 0.436 CB 1.469 40 residues pruned to eliminate duplicates Z: 42 23.201 1.949 0.441 0.566 0.829 0.512 CB 1.460 42 residues pruned to eliminate duplicates Z: 11 12.923 1.872 0.445 0.635 1.000 1.000 CB 1.332 11 residues pruned to eliminate duplicates Z: 43 25.004 1.971 0.505 0.572 0.857 0.524 CB 1.416 43 residues pruned to eliminate duplicates Z: 39 23.557 1.982 0.569 0.555 0.763 0.447 CB 1.527 39 residues pruned to eliminate duplicates Z: 34 12.027 1.823 0.290 0.456 0.727 0.303 CB 1.280 34 residues pruned to eliminate duplicates Z: 16 16.732 1.862 0.560 0.722 0.933 0.667 CB 1.304 16 residues pruned to eliminate duplicates Z: 10 9.629 1.632 0.666 0.789 0.778 0.556 CB 1.178 10 residues pruned to eliminate duplicates Z: 12 15.815 1.821 0.566 0.885 0.909 0.636 N 1.328 12 residues pruned to eliminate duplicates Z: 28 19.447 1.875 0.342 0.612 0.963 0.593 CB 1.389 27 residues pruned to eliminate duplicates Z: 14 16.333 1.770 0.586 0.891 0.923 0.769 N 1.256 14 residues pruned to eliminate duplicates Z: 15 10.955 1.739 0.194 0.798 0.929 0.429 CB 1.170 15 residues pruned to eliminate duplicates Z: 20 15.390 1.800 0.837 0.501 0.895 0.526 CB 1.192 8 residues pruned to eliminate duplicates Z: 17 7.860 1.521 0.302 0.747 0.812 0.500 CB 0.979 17 residues pruned to eliminate duplicates Z: 6 4.860 1.605 0.842 0.843 0.800 0.400 CB 0.684 6 residues pruned to eliminate duplicates Z: 15 8.543 1.596 0.556 0.498 0.786 0.357 CB 1.173 15 residues pruned to eliminate duplicates Z: 10 5.799 1.655 0.379 0.685 0.778 0.667 CB 0.919 10 residues pruned to eliminate duplicates Z: 10 10.802 1.473 0.687 0.783 1.000 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 9 10.924 1.634 0.788 0.701 1.000 0.375 CB 1.100 17 residues pruned to eliminate duplicates Z: 11 10.407 1.581 0.707 0.604 0.900 0.400 CB 1.227 11 residues pruned to eliminate duplicates Z: 10 5.978 1.590 0.519 0.523 0.778 0.444 CB 1.037 10 residues pruned to eliminate duplicates Z: 15 8.413 1.639 0.542 0.521 0.714 0.286 CB 1.220 12 residues pruned to eliminate duplicates Z: 11 8.385 1.506 0.602 0.715 0.800 0.500 N 1.130 11 residues pruned to eliminate duplicates Z: 7 4.281 1.519 0.941 0.496 0.500 0.500 N 1.190 7 residues pruned to eliminate duplicates Z: 13 6.725 1.488 0.525 0.582 0.833 0.333 CB 0.948 13 residues pruned to eliminate duplicates Z: 10 7.996 1.676 0.383 0.465 0.889 0.444 CB 1.342 9 residues pruned to eliminate duplicates Z: 9 4.717 1.609 0.401 0.700 0.500 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 12 7.795 1.690 0.305 0.454 0.818 0.545 N 1.364 12 residues pruned to eliminate duplicates Z: 18 8.153 1.688 0.258 0.372 0.824 0.235 CB 1.296 20 residues pruned to eliminate duplicates Z: 9 6.359 1.582 0.629 0.583 0.625 0.250 O 1.289 9 residues pruned to eliminate duplicates Z: 17 7.084 1.696 0.119 0.523 0.688 0.250 CB 1.327 17 residues pruned to eliminate duplicates Z: 10 3.757 1.700 0.196 0.340 0.556 0.111 CB 1.319 10 residues pruned to eliminate duplicates Z: 20 9.430 1.642 0.434 0.528 0.789 0.316 CB 1.132 17 residues pruned to eliminate duplicates Z: 7 3.416 1.732 0.187 0.657 0.667 0.333 CB 0.879 7 residues pruned to eliminate duplicates Z: 13 5.706 1.763 0.046 0.323 0.917 0.333 CB 1.184 12 residues pruned to eliminate duplicates Z: 8 8.900 1.784 0.477 0.668 0.857 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 22 6.820 1.607 0.442 0.422 0.714 0.190 CB 0.976 22 residues pruned to eliminate duplicates Z: 6 3.956 1.507 0.468 0.684 0.800 0.600 CB 0.844 Z: 16 11.297 1.549 0.688 0.688 0.867 0.333 N 1.083 21 residues pruned to eliminate duplicates Z: 7 4.816 1.517 0.717 0.715 0.667 0.500 CB 0.932 7 residues pruned to eliminate duplicates Z: 26 7.751 1.699 0.438 0.284 0.680 0.360 CB 1.191 26 residues pruned to eliminate duplicates Z: 34 8.976 1.718 0.446 0.326 0.697 0.333 CB 1.092 30 residues pruned to eliminate duplicates Z: 14 5.132 1.612 0.533 0.429 0.692 0.154 CB 0.896 14 residues pruned to eliminate duplicates Z: 16 6.076 1.568 0.493 0.429 0.800 0.267 CB 0.901 16 residues pruned to eliminate duplicates Z: 33 10.448 1.680 0.464 0.361 0.812 0.438 CB 1.074 60 residues pruned to eliminate duplicates Z: 7 3.341 1.693 0.407 0.605 0.500 0.167 CB 1.036 7 residues pruned to eliminate duplicates Z: 21 5.215 1.573 0.167 0.432 0.800 0.300 CB 0.852 21 residues pruned to eliminate duplicates Z: 16 6.017 1.599 -0.027 0.451 0.933 0.333 CB 1.125 16 residues pruned to eliminate duplicates Z: 15 5.915 1.599 0.243 0.530 0.857 0.357 CB 0.900 15 residues pruned to eliminate duplicates Z: 17 4.815 1.568 0.061 0.366 0.938 0.250 CB 0.891 Z: 6 3.539 1.408 0.415 0.450 1.000 0.800 CB 0.836 6 residues pruned to eliminate duplicates Z: 6 3.530 1.480 0.070 0.796 1.000 0.800 CB 0.769 6 residues pruned to eliminate duplicates Z: 10 2.564 1.535 -0.175 0.446 0.889 0.222 CB 0.802 10 residues pruned to eliminate duplicates Z: 6 2.545 1.495 -0.009 0.760 1.000 0.800 CB 0.610 6 residues pruned to eliminate duplicates Z: 8 3.403 1.743 0.046 0.353 0.857 0.571 CB 0.965 8 residues pruned to eliminate duplicates Z: 9 6.109 1.853 0.155 0.441 0.750 0.625 O 1.430 9 residues pruned to eliminate duplicates Z: 13 12.241 1.902 0.382 0.606 1.000 0.750 CB 1.215 14 residues pruned to eliminate duplicates Z: 10 8.705 1.836 0.135 0.603 0.889 0.778 O 1.421 10 residues pruned to eliminate duplicates Z: 31 11.263 1.727 0.226 0.482 0.833 0.600 CB 1.187 39 residues pruned to eliminate duplicates Z: 7 14.193 2.020 0.302 0.886 1.000 0.833 CB 1.590 7 residues pruned to eliminate duplicates Z: 15 11.126 1.945 0.242 0.560 0.786 0.571 CB 1.479 15 residues pruned to eliminate duplicates Z: 19 11.479 1.809 0.282 0.498 0.889 0.667 CB 1.316 19 residues pruned to eliminate duplicates Z: 17 11.062 1.852 0.374 0.539 0.812 0.375 CB 1.288 17 residues pruned to eliminate duplicates Z: 15 11.502 1.952 0.402 0.584 0.714 0.500 CB 1.450 15 residues pruned to eliminate duplicates Z: 20 12.116 1.810 0.429 0.540 0.789 0.526 N 1.309 20 residues pruned to eliminate duplicates Z: 17 5.393 1.683 0.498 0.215 0.625 0.188 N 1.197 17 residues pruned to eliminate duplicates Z: 14 13.146 1.969 0.508 0.541 0.769 0.538 CB 1.533 14 residues pruned to eliminate duplicates Z: 12 12.569 1.988 0.649 0.504 0.818 0.364 CB 1.407 12 residues pruned to eliminate duplicates Z: 20 12.019 1.885 0.451 0.635 0.684 0.526 CB 1.298 20 residues pruned to eliminate duplicates Z: 24 14.439 1.776 0.541 0.500 0.826 0.348 CB 1.331 24 residues pruned to eliminate duplicates Z: 31 16.771 1.774 0.537 0.558 0.800 0.600 CB 1.327 31 residues pruned to eliminate duplicates Z: 11 4.417 1.556 0.298 0.532 0.600 0.500 CB 1.117 11 residues pruned to eliminate duplicates Z: 11 6.315 1.659 0.306 0.483 0.800 0.400 CB 1.172 11 residues pruned to eliminate duplicates Z: 14 8.289 1.714 0.544 0.526 0.615 0.462 CB 1.376 14 residues pruned to eliminate duplicates Z: 25 18.464 1.838 0.641 0.522 0.875 0.667 CB 1.397 25 residues pruned to eliminate duplicates Z: 15 13.891 1.809 0.582 0.662 0.786 0.571 CB 1.421 15 residues pruned to eliminate duplicates Z: 23 14.323 1.738 0.564 0.529 0.864 0.591 CB 1.264 Z: 23 18.526 1.869 0.448 0.816 0.864 0.545 CB 1.284 46 residues pruned to eliminate duplicates Z: 10 7.919 1.834 0.541 0.483 0.778 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 21 17.204 1.728 0.574 0.761 0.850 0.550 CB 1.319 21 residues pruned to eliminate duplicates Z: 13 7.153 1.806 0.393 0.435 0.750 0.667 CB 1.171 13 residues pruned to eliminate duplicates Z: 20 17.129 1.879 0.704 0.550 0.842 0.684 CB 1.389 20 residues pruned to eliminate duplicates Z: 15 13.891 1.952 0.411 0.683 0.929 0.857 CB 1.227 15 residues pruned to eliminate duplicates Z: 15 18.837 1.948 0.590 0.706 1.000 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 28 15.273 1.777 0.738 0.517 0.778 0.630 CB 1.203 28 residues pruned to eliminate duplicates Z: 16 16.060 1.874 0.608 0.765 0.867 0.667 CB 1.255 16 residues pruned to eliminate duplicates Z: 14 18.825 1.920 0.594 0.925 0.923 0.846 CB 1.297 14 residues pruned to eliminate duplicates Z: 14 20.873 1.922 0.734 0.829 0.923 0.692 CB 1.417 14 residues pruned to eliminate duplicates Z: 9 11.563 1.905 0.685 0.773 0.750 0.750 CB 1.333 9 residues pruned to eliminate duplicates Z: 20 21.569 1.852 0.790 0.752 0.842 0.789 CB 1.416 20 residues pruned to eliminate duplicates Z: 7 14.945 2.068 0.529 0.866 1.000 1.000 CB 1.412 7 residues pruned to eliminate duplicates Z: 12 10.522 1.813 0.379 0.814 0.909 0.727 CB 1.062 12 residues pruned to eliminate duplicates Z: 24 17.374 1.803 0.532 0.690 0.913 0.652 CB 1.207 24 residues pruned to eliminate duplicates Z: 41 22.860 1.835 0.567 0.574 0.900 0.525 CB 1.301 41 residues pruned to eliminate duplicates Z: 20 10.014 1.737 0.782 0.264 0.842 0.526 CB 1.154 20 residues pruned to eliminate duplicates Z: 30 13.353 1.736 0.822 0.346 0.828 0.483 CB 1.119 30 residues pruned to eliminate duplicates Z: 31 15.224 1.790 0.701 0.390 0.833 0.433 CB 1.231 31 residues pruned to eliminate duplicates Z: 29 18.425 1.898 0.611 0.521 0.893 0.714 CB 1.249 29 residues pruned to eliminate duplicates Z: 23 15.860 1.876 0.554 0.638 0.909 0.727 CB 1.121 23 residues pruned to eliminate duplicates Z: 45 20.181 1.805 0.770 0.487 0.773 0.523 CB 1.250 45 residues pruned to eliminate duplicates Z: 28 18.441 1.904 0.614 0.480 0.889 0.593 CB 1.325 28 residues pruned to eliminate duplicates Z: 24 17.086 1.840 0.780 0.452 0.826 0.478 CB 1.384 24 residues pruned to eliminate duplicates Z: 32 22.610 1.839 0.739 0.509 0.935 0.645 CB 1.346 32 residues pruned to eliminate duplicates Z: 21 19.321 1.881 0.575 0.615 0.950 0.750 CB 1.377 21 residues pruned to eliminate duplicates Z: 25 14.200 1.856 0.669 0.435 0.833 0.542 CB 1.201 25 residues pruned to eliminate duplicates Z: 13 11.973 1.928 0.639 0.380 0.917 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 25 18.205 1.842 0.742 0.414 0.917 0.583 CB 1.383 25 residues pruned to eliminate duplicates Z: 26 23.199 1.855 0.638 0.625 0.920 0.760 N 1.475 26 residues pruned to eliminate duplicates Z: 23 21.724 1.900 0.665 0.598 0.955 0.682 CB 1.396 23 residues pruned to eliminate duplicates Z: 42 25.906 1.891 0.731 0.565 0.878 0.659 CB 1.322 42 residues pruned to eliminate duplicates Z: 14 16.583 1.859 0.612 0.626 0.923 0.769 O 1.477 14 residues pruned to eliminate duplicates Z: 32 25.065 1.929 0.675 0.575 0.968 0.710 CB 1.339 32 residues pruned to eliminate duplicates Z: 24 18.224 1.902 0.604 0.561 0.913 0.696 CB 1.286 24 residues pruned to eliminate duplicates Z: 41 19.498 1.806 0.611 0.490 0.825 0.475 CB 1.298 41 residues pruned to eliminate duplicates Z: 35 20.590 1.832 0.685 0.528 0.882 0.529 CB 1.261 35 residues pruned to eliminate duplicates Z: 19 9.611 1.658 0.256 0.486 0.889 0.278 CB 1.240 17 residues pruned to eliminate duplicates Z: 12 5.864 1.607 0.086 0.622 0.818 0.455 CB 1.103 12 residues pruned to eliminate duplicates Z: 7 7.255 1.759 0.423 0.622 0.833 0.500 CB 1.265 7 residues pruned to eliminate duplicates Z: 12 6.076 1.618 0.371 0.330 0.727 0.273 CB 1.369 12 residues pruned to eliminate duplicates Z: 10 6.680 1.736 0.365 0.440 0.778 0.333 CB 1.286 10 residues pruned to eliminate duplicates Z: 8 6.024 1.746 0.144 0.550 0.857 0.571 CB 1.267 8 residues pruned to eliminate duplicates Z: 13 4.960 1.613 -0.152 0.562 1.000 0.500 CB 0.986 13 residues pruned to eliminate duplicates Z: 13 6.854 1.593 0.217 0.634 0.917 0.500 CB 0.982 19 residues pruned to eliminate duplicates Z: 8 6.733 1.586 0.508 0.844 0.857 0.714 CB 0.924 8 residues pruned to eliminate duplicates Z: 11 6.876 1.564 0.268 0.775 0.900 0.400 CB 0.956 11 residues pruned to eliminate duplicates Z: 9 5.989 1.633 0.705 0.461 0.750 0.375 CB 1.056 9 residues pruned to eliminate duplicates Z: 10 4.301 1.487 0.788 0.445 0.778 0.556 CB 0.733 10 residues pruned to eliminate duplicates Z: 7 6.002 1.667 0.664 0.813 0.667 0.500 CB 1.009 7 residues pruned to eliminate duplicates Z: 8 4.140 1.605 0.892 0.842 0.714 0.571 CB 0.538 8 residues pruned to eliminate duplicates Z: 7 5.889 1.660 0.850 0.791 0.667 0.667 CB 0.910 7 residues pruned to eliminate duplicates Z: 20 8.971 1.692 0.454 0.491 0.737 0.368 CB 1.146 9 residues pruned to eliminate duplicates Z: 8 5.547 1.652 0.929 0.785 0.714 0.286 CB 0.717 8 residues pruned to eliminate duplicates Z: 15 7.043 1.767 0.073 0.455 0.929 0.714 CB 1.119 12 residues pruned to eliminate duplicates Z: 6 3.189 1.380 0.311 0.282 1.000 0.600 N 1.008 6 residues pruned to eliminate duplicates Z: 24 7.185 1.643 0.309 0.389 0.696 0.348 CB 1.127 24 residues pruned to eliminate duplicates Z: 22 9.069 1.805 0.467 0.465 0.667 0.524 CB 1.161 22 residues pruned to eliminate duplicates Z: 10 8.820 1.865 0.109 0.669 0.778 0.667 CB 1.562 10 residues pruned to eliminate duplicates Z: 18 9.824 1.782 0.457 0.449 0.941 0.471 CB 1.028 18 residues pruned to eliminate duplicates Z: 23 9.360 1.818 0.290 0.453 0.773 0.500 CB 1.156 23 residues pruned to eliminate duplicates Z: 20 9.609 1.817 0.505 0.403 0.789 0.421 CB 1.131 20 residues pruned to eliminate duplicates Z: 17 11.241 1.849 0.339 0.554 0.875 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 10 9.932 1.879 0.427 0.601 0.778 0.667 CB 1.442 10 residues pruned to eliminate duplicates Z: 28 12.221 1.792 0.613 0.375 0.815 0.444 CB 1.142 28 residues pruned to eliminate duplicates Z: 28 11.061 1.732 0.449 0.450 0.815 0.259 CB 1.096 32 residues pruned to eliminate duplicates Z: 15 8.674 1.634 0.744 0.705 0.786 0.714 CB 0.859 12 residues pruned to eliminate duplicates Z: 11 7.747 1.754 0.493 0.734 0.700 0.400 CB 1.083 11 residues pruned to eliminate duplicates Z: 12 4.672 1.620 0.540 0.352 0.636 0.182 CB 1.041 13 residues pruned to eliminate duplicates Z: 10 10.375 1.811 0.756 0.832 0.889 0.778 CB 0.919 10 residues pruned to eliminate duplicates Z: 10 9.104 1.764 0.659 0.699 0.778 0.222 CB 1.112 10 residues pruned to eliminate duplicates Z: 11 6.000 1.819 0.467 0.509 0.600 0.200 CB 1.175 11 residues pruned to eliminate duplicates Z: 9 8.299 1.797 0.564 0.719 0.875 0.500 CB 0.978 9 residues pruned to eliminate duplicates Z: 12 8.347 1.752 0.700 0.721 0.818 0.455 CB 0.846 12 residues pruned to eliminate duplicates Z: 6 4.081 1.858 0.678 0.747 0.600 0.600 CB 0.783 6 residues pruned to eliminate duplicates Z: 17 8.482 1.782 0.389 0.575 0.688 0.500 CB 1.158 17 residues pruned to eliminate duplicates Z: 22 15.300 1.810 0.576 0.705 0.810 0.476 CB 1.200 23 residues pruned to eliminate duplicates Z: 9 6.288 1.779 0.394 0.826 0.875 0.625 CB 0.773 9 residues pruned to eliminate duplicates Z: 23 13.896 1.858 0.574 0.663 0.818 0.727 CB 1.065 23 residues pruned to eliminate duplicates Z: 18 9.314 1.688 0.609 0.546 0.765 0.294 CB 1.040 18 residues pruned to eliminate duplicates Z: 21 13.920 1.808 0.499 0.624 0.900 0.400 CB 1.135 21 residues pruned to eliminate duplicates Z: 29 18.479 1.871 0.578 0.604 0.857 0.607 CB 1.250 29 residues pruned to eliminate duplicates Z: 22 18.510 1.935 0.702 0.444 0.905 0.524 CB 1.436 22 residues pruned to eliminate duplicates Z: 27 16.640 1.902 0.610 0.516 0.846 0.462 CB 1.240 27 residues pruned to eliminate duplicates Z: 28 17.609 1.920 0.670 0.617 0.778 0.407 CB 1.217 28 residues pruned to eliminate duplicates Z: 28 17.671 1.907 0.575 0.546 0.852 0.481 CB 1.271 28 residues pruned to eliminate duplicates Z: 30 18.570 1.898 0.615 0.550 0.828 0.552 CB 1.295 30 residues pruned to eliminate duplicates Z: 15 11.286 1.896 0.422 0.413 0.857 0.357 CB 1.429 15 residues pruned to eliminate duplicates Z: 27 22.478 1.932 0.632 0.617 0.885 0.654 CB 1.414 27 residues pruned to eliminate duplicates Z: 29 18.024 1.896 0.472 0.475 0.893 0.464 CB 1.402 29 residues pruned to eliminate duplicates Z: 20 18.038 1.939 0.553 0.519 0.895 0.474 CB 1.507 20 residues pruned to eliminate duplicates Z: 28 18.564 1.851 0.742 0.517 0.778 0.370 CB 1.401 28 residues pruned to eliminate duplicates Z: 13 14.476 1.954 0.681 0.357 0.917 0.333 CB 1.620 13 residues pruned to eliminate duplicates Z: 30 15.036 1.863 0.475 0.616 0.759 0.621 CB 1.200 30 residues pruned to eliminate duplicates Z: 16 12.424 1.842 0.694 0.491 0.733 0.467 CB 1.414 16 residues pruned to eliminate duplicates 946 residues left after pruning, divided into chains as follows: A: 14 B: 12 C: 7 D: 13 E: 6 F: 11 G: 67 H: 21 I: 11 J: 80 K: 13 L: 22 M: 15 N: 10 O: 11 P: 9 Q: 9 R: 29 S: 6 T: 41 U: 16 V: 10 W: 11 X: 12 Y: 9 Z: 32 Z: 17 Z: 94 Z: 9 Z: 93 Z: 30 Z: 106 Z: 26 Z: 41 Z: 33 CC for partial structure against native data = 35.83 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.552, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.635, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.738, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.754, Connect. = 0.770 for dens.mod. cycle 4 = 0.300, Contrast = 0.766, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.772, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.776, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.778, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.779, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.778, Connect. = 0.777 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 6.05 - 4.80 - 4.19 - 3.81 - 3.54 - 3.33 - 3.16 - 3.02 - 2.90 - 2.80 0.733 0.735 0.772 0.750 0.732 0.730 0.693 0.640 0.583 0.550 0.854 0.870 0.907 0.906 0.895 0.900 0.877 0.813 0.746 0.696 N 4732 4756 4776 4678 4672 4753 4810 4832 4941 4255 Estimated mean FOM = 0.693 Pseudo-free CC = 71.35 % Best trace (cycle 1 with CC 38.13%) was saved as ./1vl6-2.8-parrot-mrncs/1vl6-2.8-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.8 - Setup, data input and phasing 8.5 - FFTs and peak-searches 29.6 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 691.7 - Tripeptide search 7678.2 - Chain tracing 0.0 - NCS analysis 95.2 - B-value refinement for trace 0.8 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 22:09:17 Total time: 8505.35 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 142.71 Used memory is bytes: 31158784