++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:27:42 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-noncs/1vl6-2.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.ins Phases from ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.phi Native data from ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.hkl Listing output to ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.lst Phases output to ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.phs Poly-Ala trace output to ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.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-noncs/1vl6-2.8-parrot-noncs.phi 47205 Reflections read from file ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.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 = 0.285, Contrast = 0.181, Connect. = 0.581 for dens.mod. cycle 1 = 0.290, Contrast = 0.343, Connect. = 0.597 for dens.mod. cycle 2 = 0.298, Contrast = 0.512, Connect. = 0.685 for dens.mod. cycle 3 = 0.300, Contrast = 0.607, Connect. = 0.720 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.740 for dens.mod. cycle 5 = 0.300, Contrast = 0.724, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.751, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.767, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.776, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.782, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3810 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 1094 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 11.754 1.874 0.857 0.482 0.857 0.571 CB 1.516 B: 21 29.891 1.851 0.975 0.873 0.950 0.850 CB 1.402 C: 19 23.518 1.867 0.712 0.921 1.000 1.000 CB 1.220 19 residues pruned to eliminate duplicates D: 22 24.501 1.834 0.821 0.886 0.952 0.762 CB 1.213 22 residues pruned to eliminate duplicates E: 7 3.990 1.765 0.028 0.245 0.833 0.833 O 1.446 F: 14 21.492 1.798 0.930 0.804 0.923 0.692 CB 1.427 G: 6 5.092 1.618 0.427 0.710 0.800 0.800 O 1.018 H: 6 4.715 1.620 0.290 0.632 0.800 0.800 CB 1.114 I: 12 9.390 1.747 0.891 0.454 0.727 0.364 CB 1.235 8 residues pruned to eliminate duplicates J: 10 5.448 1.574 0.667 0.267 0.778 0.444 CB 1.161 K: 8 3.918 1.578 0.864 0.174 0.571 0.286 O 1.307 L: 14 8.292 1.788 0.542 0.287 0.846 0.462 CB 1.252 M: 6 2.595 1.593 0.261 0.305 0.600 0.600 O 1.197 N: 8 5.463 1.686 0.406 0.875 1.000 0.714 CB 0.633 O: 10 3.051 1.505 0.812 0.239 0.667 0.333 CB 0.757 P: 16 8.109 1.786 0.535 0.380 0.733 0.400 CB 1.183 Q: 17 15.058 1.688 0.748 0.749 0.812 0.438 O 1.257 R: 8 10.214 1.844 0.745 0.800 1.000 0.857 CB 0.923 8 residues pruned to eliminate duplicates S: 18 11.471 1.646 0.702 0.473 0.765 0.294 CB 1.334 T: 7 3.640 1.440 0.996 0.414 0.833 0.667 CB 0.679 U: 17 19.422 1.752 0.800 0.802 0.875 0.688 CB 1.351 14 residues pruned to eliminate duplicates V: 16 16.035 1.780 0.407 0.827 0.933 0.867 CB 1.334 18 residues pruned to eliminate duplicates W: 12 19.404 1.789 1.213 0.865 0.909 0.545 CB 1.190 12 residues pruned to eliminate duplicates X: 8 12.268 1.775 1.001 0.787 0.714 0.429 CB 1.421 Y: 16 14.402 1.668 0.898 0.650 0.867 0.533 CB 1.178 Z: 7 10.566 1.440 0.802 0.837 1.000 0.500 N 1.243 8 residues pruned to eliminate duplicates Z: 13 21.332 1.716 1.130 0.847 0.917 0.833 CB 1.365 Z: 18 15.814 1.822 0.526 0.869 1.000 0.765 CB 1.007 18 residues pruned to eliminate duplicates Z: 9 14.351 1.845 0.674 0.791 1.000 0.750 CB 1.272 9 residues pruned to eliminate duplicates Z: 17 17.479 1.667 0.646 0.810 0.938 0.812 O 1.297 17 residues pruned to eliminate duplicates Z: 13 19.184 1.815 0.783 0.916 1.000 0.917 CB 1.209 Z: 20 22.684 1.783 0.595 0.930 1.000 0.947 CB 1.280 Z: 6 4.773 1.659 0.160 0.548 0.800 0.600 CB 1.322 Z: 8 4.789 1.572 0.522 0.477 0.714 0.429 CB 1.084 Z: 7 5.590 1.916 0.240 0.832 1.000 0.667 CB 0.721 Z: 12 12.669 1.609 0.869 0.852 0.909 0.818 CB 1.034 Z: 10 11.125 1.672 0.836 0.894 1.000 0.889 CB 0.867 10 residues pruned to eliminate duplicates Z: 9 3.933 1.751 0.411 0.261 0.625 0.500 CB 1.184 7 1.977 1.624 0.298 0.665 0.500 0.500 CB 0.657 ? Z: 13 17.128 1.683 0.760 0.885 1.000 0.833 CB 1.205 11 residues pruned to eliminate duplicates Z: 8 7.599 1.634 0.750 0.511 0.857 0.429 O 1.159 7 residues pruned to eliminate duplicates Z: 10 12.854 1.635 0.558 0.819 1.000 0.667 O 1.275 Z: 6 4.199 1.692 0.085 0.749 0.800 0.600 CB 1.024 Z: 9 12.954 1.840 0.701 0.810 1.000 0.750 CB 1.117 8 residues pruned to eliminate duplicates Z: 13 9.354 1.894 0.513 0.528 0.750 0.583 CB 1.221 9 residues pruned to eliminate duplicates Z: 8 6.339 1.680 1.041 0.462 0.714 0.429 O 1.018 8 residues pruned to eliminate duplicates Z: 8 8.259 1.730 0.509 0.766 0.857 0.714 CB 1.102 Z: 11 8.108 1.804 0.474 0.394 0.700 0.400 N 1.540 Z: 12 15.987 1.832 0.510 0.898 1.000 1.000 CB 1.247 12 residues pruned to eliminate duplicates Z: 12 7.620 1.536 0.784 0.739 0.727 0.455 CB 0.931 Z: 10 6.986 1.729 0.506 0.719 0.889 0.556 CB 0.825 Z: 6 4.336 1.762 0.544 0.487 1.000 1.000 CB 0.722 Z: 7 8.255 1.617 0.809 0.582 0.833 0.667 CB 1.277 Z: 7 10.244 1.719 0.725 0.702 0.833 0.833 CB 1.408 7 residues pruned to eliminate duplicates Z: 13 4.307 1.453 0.273 0.483 1.000 0.667 CB 0.683 Z: 13 14.100 1.671 0.673 0.853 0.917 0.583 CB 1.174 13 residues pruned to eliminate duplicates Z: 22 8.942 1.719 0.549 0.357 0.714 0.381 CB 1.197 Z: 12 2.858 1.414 0.150 0.448 0.818 0.545 CB 0.683 Z: 15 15.115 1.739 0.644 0.913 0.857 0.714 O 1.167 15 residues pruned to eliminate duplicates Z: 12 4.274 1.621 0.138 0.304 0.727 0.364 CB 1.194 Z: 8 5.964 1.766 0.329 0.400 0.714 0.286 CB 1.494 Z: 12 5.381 1.642 0.402 0.389 0.636 0.545 O 1.245 Z: 6 7.134 1.591 0.596 0.682 0.800 0.400 N 1.328 Z: 7 16.319 1.968 0.713 0.659 1.000 0.833 CB 1.705 Z: 10 8.092 1.726 0.803 0.833 1.000 0.889 CB 0.650 10 residues pruned to eliminate duplicates Z: 23 18.534 1.738 0.348 0.898 1.000 0.864 CB 1.206 23 residues pruned to eliminate duplicates Z: 23 12.374 1.666 0.711 0.523 0.818 0.500 CB 1.106 17 residues pruned to eliminate duplicates Z: 14 19.045 1.907 0.531 0.916 1.000 1.000 CB 1.278 14 residues pruned to eliminate duplicates Z: 13 7.618 1.701 0.599 0.361 0.667 0.583 N 1.409 6 residues pruned to eliminate duplicates Z: 15 21.647 1.806 0.863 0.890 0.929 0.643 O 1.332 16 residues pruned to eliminate duplicates Z: 6 14.159 1.802 0.875 0.718 1.000 0.800 O 1.538 6 residues pruned to eliminate duplicates Z: 6 3.152 1.249 0.979 0.770 0.800 0.800 CB 0.561 Z: 18 34.138 1.919 1.106 0.948 1.000 0.882 CB 1.415 20 residues pruned to eliminate duplicates Z: 12 14.134 1.688 0.648 0.874 1.000 0.818 CB 1.115 Z: 20 29.394 1.842 1.026 0.922 1.000 0.789 CB 1.271 19 residues pruned to eliminate duplicates Z: 10 6.107 1.507 0.755 0.724 0.778 0.667 CB 0.809 Z: 9 4.240 1.679 0.329 0.749 0.750 0.500 CB 0.717 Z: 7 7.284 1.769 0.507 0.775 1.000 0.833 CB 0.875 Z: 7 6.841 1.691 0.759 0.247 1.000 0.333 CB 1.257 Z: 22 10.277 1.659 0.545 0.551 0.762 0.571 CB 1.092 18 residues pruned to eliminate duplicates Z: 9 9.339 1.674 0.525 0.695 1.000 0.875 O 1.082 Z: 9 14.735 1.657 0.873 0.829 0.875 0.750 CB 1.443 9 residues pruned to eliminate duplicates Z: 6 2.371 1.683 0.024 0.349 0.600 0.200 CB 1.209 Z: 10 8.435 1.470 0.794 0.690 0.778 0.444 CB 1.152 Z: 12 2.148 1.385 0.930 0.234 0.545 0.273 CB 0.605 Z: 6 3.550 1.703 0.605 0.290 0.600 0.600 N 1.227 Z: 11 11.108 1.636 0.637 0.772 0.800 0.400 CB 1.289 8 residues pruned to eliminate duplicates Z: 16 17.282 1.656 0.930 0.762 0.933 0.733 CB 1.185 15 residues pruned to eliminate duplicates Z: 18 17.175 1.589 0.951 0.767 0.941 0.706 CB 1.127 18 residues pruned to eliminate duplicates Z: 12 10.526 1.643 0.455 0.884 1.000 0.909 CB 0.959 Z: 6 5.839 1.461 0.368 0.542 1.000 0.400 O 1.254 Z: 8 8.225 1.504 0.978 0.693 0.857 0.571 N 1.022 Z: 14 4.494 1.516 0.261 0.414 0.692 0.308 CB 1.030 6 residues pruned to eliminate duplicates Z: 13 14.765 1.766 0.483 0.885 1.000 0.750 CB 1.175 13 residues pruned to eliminate duplicates Z: 10 4.989 1.573 0.533 0.388 0.667 0.444 CB 1.165 Z: 12 9.984 1.767 0.497 0.443 0.818 0.727 CB 1.474 13 residues pruned to eliminate duplicates Z: 9 6.483 1.637 0.858 0.761 0.875 0.750 CB 0.684 9 residues pruned to eliminate duplicates Z: 11 8.687 1.622 0.812 0.668 0.700 0.700 CB 1.143 11 residues pruned to eliminate duplicates Z: 11 13.256 1.651 0.979 0.865 1.000 0.800 CB 0.940 11 residues pruned to eliminate duplicates Z: 10 3.385 1.615 0.618 0.326 0.556 0.333 CB 0.941 Z: 7 2.280 1.556 0.449 0.253 0.500 0.333 O 1.096 Z: 10 5.297 1.639 0.439 0.435 0.667 0.222 O 1.200 10 residues pruned to eliminate duplicates Z: 23 6.801 1.493 0.798 0.312 0.636 0.364 N 1.045 Z: 19 9.887 1.588 0.384 0.573 0.889 0.556 CB 1.112 3 residues pruned to eliminate duplicates Z: 8 10.604 1.557 0.730 0.732 1.000 0.857 CB 1.208 Z: 11 9.809 1.626 1.303 0.921 1.000 0.800 CB 0.583 Z: 6 6.439 1.784 -0.011 0.558 1.000 0.400 CB 1.544 8 residues pruned to eliminate duplicates Z: 6 2.839 1.608 0.498 0.435 1.000 0.600 CB 0.563 Z: 13 12.749 1.633 0.667 0.861 1.000 0.750 CB 0.993 Z: 6 4.454 1.584 0.055 0.742 0.800 0.400 O 1.200 4 residues pruned to eliminate duplicates Z: 20 16.875 1.787 0.735 0.550 0.895 0.526 CB 1.328 28 residues pruned to eliminate duplicates Z: 8 4.129 1.359 0.178 0.499 1.000 0.857 CB 0.976 Z: 10 7.272 1.711 0.513 0.602 0.889 0.667 CB 0.955 10 residues pruned to eliminate duplicates Z: 8 2.832 1.411 0.506 0.207 0.714 0.286 CB 0.998 Z: 26 20.008 1.660 0.738 0.827 0.880 0.680 CB 1.188 20 residues pruned to eliminate duplicates Z: 15 12.021 1.695 0.284 0.813 0.929 0.786 O 1.211 6 residues pruned to eliminate duplicates Z: 20 7.358 1.465 0.363 0.573 0.895 0.421 CB 0.881 20 residues pruned to eliminate duplicates Z: 9 14.065 1.842 0.836 0.841 1.000 0.500 CB 1.096 9 residues pruned to eliminate duplicates Z: 7 3.651 1.337 1.271 0.468 0.833 0.500 CB 0.608 Z: 10 3.202 1.560 0.405 0.181 0.667 0.556 N 1.073 4 residues pruned to eliminate duplicates Z: 17 6.251 1.731 0.792 0.256 0.750 0.562 CB 0.889 9 residues pruned to eliminate duplicates Z: 14 10.297 1.517 0.561 0.846 0.923 0.769 CB 0.970 Z: 11 3.624 1.301 0.703 0.282 0.700 0.500 O 0.945 Z: 12 10.018 1.764 0.421 0.877 0.818 0.727 CB 1.069 12 residues pruned to eliminate duplicates Z: 8 4.890 1.744 0.155 0.872 0.857 0.857 CB 0.780 12 residues pruned to eliminate duplicates Z: 6 7.654 1.533 0.803 0.832 1.000 0.600 CB 0.930 6 residues pruned to eliminate duplicates Z: 12 10.898 1.587 0.544 0.771 1.000 0.727 O 1.055 12 residues pruned to eliminate duplicates Z: 6 2.600 1.610 0.633 0.224 0.600 0.400 CB 1.018 Z: 6 7.616 1.685 0.438 0.865 0.800 0.800 CB 1.287 5 residues pruned to eliminate duplicates Z: 7 4.091 1.678 0.764 0.244 0.667 0.500 N 1.138 5 residues pruned to eliminate duplicates Z: 8 9.542 1.728 0.493 0.865 1.000 0.857 CB 1.023 Z: 7 9.380 1.818 0.436 0.827 1.000 0.833 CB 1.105 7 residues pruned to eliminate duplicates Z: 21 30.207 1.832 0.966 0.928 1.000 1.000 CB 1.314 20 residues pruned to eliminate duplicates Z: 8 6.261 1.464 0.475 0.797 0.857 0.714 CB 0.986 Z: 34 29.463 1.754 1.080 0.607 0.879 0.697 CB 1.445 41 residues pruned to eliminate duplicates Z: 11 5.722 1.542 0.378 0.462 0.800 0.400 N 1.106 Z: 9 2.567 1.681 0.578 0.233 0.625 0.500 CB 0.747 9 residues pruned to eliminate duplicates Z: 13 13.229 1.620 1.003 0.899 0.833 0.750 CB 1.009 13 residues pruned to eliminate duplicates Z: 14 19.759 1.866 0.703 0.892 1.000 0.769 CB 1.240 16 residues pruned to eliminate duplicates Z: 6 2.847 1.554 -0.049 0.818 1.000 0.800 CB 0.654 Z: 6 5.194 1.809 0.133 0.296 1.000 0.200 CB 1.423 Z: 8 2.965 1.484 0.916 0.205 0.857 0.571 N 0.652 Z: 7 6.091 1.417 0.374 0.813 1.000 0.333 CB 0.973 Z: 10 9.104 1.637 0.405 0.836 1.000 0.556 CB 0.988 10 residues pruned to eliminate duplicates Z: 7 5.408 1.652 0.195 0.767 1.000 0.667 CB 0.883 7 residues pruned to eliminate duplicates Z: 6 4.276 1.478 0.159 0.496 1.000 0.600 CB 1.121 Z: 8 3.553 1.507 0.588 0.289 0.714 0.286 O 0.996 8 residues pruned to eliminate duplicates Z: 15 22.538 1.694 0.966 0.900 1.000 0.500 CB 1.292 12 residues pruned to eliminate duplicates Z: 10 3.137 1.474 0.318 0.353 0.667 0.556 N 0.947 Z: 7 5.445 1.686 0.515 0.496 0.833 0.667 CB 1.049 Z: 6 5.309 1.576 0.755 0.754 0.800 0.600 O 0.856 6 residues pruned to eliminate duplicates Z: 14 3.695 1.542 0.313 0.245 0.692 0.538 CB 0.981 Z: 22 29.782 1.845 0.947 0.899 1.000 0.810 CB 1.293 22 residues pruned to eliminate duplicates Z: 6 3.739 1.890 0.186 0.287 0.800 0.600 N 1.185 5 residues pruned to eliminate duplicates Z: 10 9.396 1.499 0.557 0.754 0.889 0.778 CB 1.204 Z: 6 2.803 1.530 0.486 0.304 0.600 0.400 N 1.143 Z: 9 6.793 1.581 0.556 0.831 1.000 1.000 CB 0.734 9 residues pruned to eliminate duplicates Z: 6 4.411 1.657 0.718 0.528 0.600 0.600 CB 1.123 Z: 6 2.929 1.504 0.055 0.529 0.800 0.600 CB 1.003 Z: 13 5.325 1.597 0.542 0.346 0.917 0.333 CB 0.805 Z: 13 9.295 1.427 0.827 0.761 0.917 0.500 CB 0.891 7 residues pruned to eliminate duplicates Z: 13 15.958 1.639 0.884 0.909 1.000 0.750 CB 1.059 13 residues pruned to eliminate duplicates Z: 10 4.024 1.433 0.647 0.321 0.667 0.444 CB 1.039 10 residues pruned to eliminate duplicates Z: 9 7.253 1.612 0.311 0.566 1.000 0.750 N 1.138 Z: 13 16.880 1.702 0.713 0.889 1.000 0.750 CB 1.204 13 residues pruned to eliminate duplicates 8 1.239 1.561 -0.165 0.195 0.857 0.286 CB 0.603 ? Z: 8 6.580 1.729 0.265 0.759 1.000 0.571 CB 0.903 8 residues pruned to eliminate duplicates Z: 18 22.124 1.787 0.621 0.910 1.000 0.882 CB 1.314 24 residues pruned to eliminate duplicates Z: 9 9.145 1.664 0.978 0.853 0.750 0.625 CB 0.968 Z: 7 9.045 1.440 0.723 0.831 1.000 0.833 N 1.118 7 residues pruned to eliminate duplicates Z: 8 3.761 1.399 0.276 0.347 0.857 0.714 O 1.098 Z: 6 2.911 1.517 0.384 0.519 0.600 0.400 N 1.014 Z: 14 5.943 1.555 0.327 0.416 0.846 0.538 N 1.031 Z: 9 6.696 1.486 0.653 0.533 0.875 0.375 N 1.067 Z: 8 6.925 1.603 0.499 0.503 0.857 0.286 CB 1.268 Z: 8 11.482 1.650 0.961 0.879 1.000 1.000 CB 0.972 8 residues pruned to eliminate duplicates Z: 11 6.285 1.570 0.685 0.369 0.900 0.500 CB 0.961 Z: 12 9.003 1.803 0.568 0.558 0.636 0.455 CB 1.426 12 residues pruned to eliminate duplicates Z: 15 10.831 1.510 0.635 0.787 0.929 0.786 CB 0.981 14 residues pruned to eliminate duplicates Z: 7 3.002 1.566 0.525 0.179 0.667 0.500 CB 1.134 Z: 23 8.022 1.631 0.521 0.382 0.682 0.364 CB 1.147 15 residues pruned to eliminate duplicates Z: 10 12.099 1.646 0.586 0.817 0.889 0.889 CB 1.319 10 residues pruned to eliminate duplicates Z: 10 11.811 1.552 0.610 0.823 1.000 0.889 N 1.191 6 residues pruned to eliminate duplicates Z: 10 7.022 1.691 0.504 0.737 0.778 0.778 CB 0.956 10 residues pruned to eliminate duplicates Z: 7 2.994 1.479 0.452 0.317 1.000 0.500 CB 0.696 Z: 15 11.445 1.602 0.848 0.833 0.929 0.357 CB 0.835 15 residues pruned to eliminate duplicates Z: 10 5.225 1.697 0.319 0.449 0.889 0.556 CB 0.922 10 residues pruned to eliminate duplicates Z: 20 5.875 1.491 0.468 0.416 0.789 0.421 CB 0.851 Z: 15 17.611 1.695 0.484 0.873 1.000 0.643 N 1.363 14 residues pruned to eliminate duplicates Z: 6 3.212 1.386 0.722 0.281 0.800 0.800 CB 0.963 Z: 10 11.085 1.566 1.070 0.745 0.778 0.444 CB 1.177 21 residues pruned to eliminate duplicates Z: 12 7.371 1.581 0.492 0.427 0.909 0.636 CB 1.118 12 residues pruned to eliminate duplicates Z: 9 12.931 1.860 0.912 0.552 0.875 0.625 N 1.397 7 residues pruned to eliminate duplicates Z: 10 5.813 1.596 0.303 0.857 0.889 0.556 CB 0.773 10 residues pruned to eliminate duplicates Z: 6 4.627 1.320 0.340 0.635 1.000 0.600 CB 1.031 Z: 16 4.126 1.571 0.325 0.266 0.800 0.400 CB 0.835 9 residues pruned to eliminate duplicates Z: 15 6.955 1.552 0.674 0.464 0.643 0.500 CB 1.155 6 1.923 1.413 0.359 0.597 0.600 0.600 CB 0.681 ? Z: 6 9.431 1.752 0.585 0.862 1.000 1.000 CB 1.115 3 residues pruned to eliminate duplicates Z: 13 4.650 1.715 0.414 0.310 0.917 0.500 CB 0.745 Z: 10 13.883 1.668 1.028 0.852 0.778 0.444 CB 1.301 17 residues pruned to eliminate duplicates Z: 11 4.062 1.555 0.522 0.182 0.700 0.300 N 1.138 Z: 19 5.757 1.472 0.432 0.361 0.667 0.333 N 1.121 Z: 20 18.039 1.676 0.858 0.839 0.947 0.579 CB 1.048 20 residues pruned to eliminate duplicates Z: 6 6.578 1.607 0.452 0.353 1.000 0.600 CA 1.479 Z: 8 5.683 1.378 0.577 0.830 0.857 0.714 O 0.867 Z: 6 4.649 1.479 0.671 0.507 0.800 0.800 O 1.045 Z: 8 4.467 1.377 0.691 0.333 1.000 0.286 CB 0.870 Z: 17 7.949 1.472 0.625 0.296 0.875 0.500 N 1.193 Z: 17 13.939 1.549 0.571 0.834 0.938 0.750 CB 1.145 23 residues pruned to eliminate duplicates Z: 11 4.368 1.593 0.247 0.338 0.700 0.600 CB 1.186 Z: 9 3.469 1.495 0.403 0.205 0.750 0.375 O 1.106 Z: 11 2.812 1.435 0.612 0.297 0.500 0.200 CB 0.965 Z: 11 7.081 1.521 0.508 0.731 0.700 0.700 CB 1.133 7 residues pruned to eliminate duplicates Z: 8 4.352 1.374 0.220 0.643 0.857 0.714 O 1.002 Z: 9 6.028 1.504 0.782 0.611 0.750 0.500 O 0.955 10 residues pruned to eliminate duplicates Z: 7 2.790 1.549 0.451 0.461 0.667 0.667 CB 0.791 7 residues pruned to eliminate duplicates 7 0.862 1.554 -0.062 0.249 0.667 0.333 CB 0.484 ? Z: 25 21.396 1.713 0.611 0.867 0.958 0.708 CB 1.209 25 residues pruned to eliminate duplicates Z: 11 16.799 1.680 0.850 0.918 1.000 0.800 CB 1.205 12 residues pruned to eliminate duplicates Z: 8 7.242 1.469 0.263 0.842 1.000 0.571 CB 1.099 8 residues pruned to eliminate duplicates Z: 8 5.152 1.413 0.194 0.774 1.000 0.571 CB 0.906 Z: 11 3.057 1.613 -0.041 0.238 0.800 0.400 CB 1.059 Z: 13 11.595 1.565 0.946 0.807 0.917 0.750 CB 0.917 8 residues pruned to eliminate duplicates 7 1.717 1.458 0.535 0.210 0.667 0.333 CB 0.661 ? Z: 11 6.470 1.385 0.741 0.744 0.900 0.400 CB 0.758 Z: 11 12.310 1.604 0.844 0.836 0.900 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 6 2.815 1.497 -0.081 0.436 0.800 0.600 N 1.222 Z: 6 2.504 1.381 -0.016 0.396 0.800 0.400 O 1.150 Z: 8 7.177 1.652 0.202 0.661 0.857 0.571 N 1.372 Z: 11 5.137 1.595 0.636 0.147 0.700 0.600 CB 1.373 5 residues pruned to eliminate duplicates 6 1.889 1.483 0.078 0.532 0.800 0.600 CB 0.640 ? 6 1.841 1.671 0.481 0.754 0.800 0.600 CB 0.331 ? Z: 7 2.511 1.419 0.464 0.604 0.667 0.500 CB 0.670 Z: 9 5.950 1.501 0.646 0.591 0.625 0.250 CB 1.249 Z: 11 5.734 1.552 0.264 0.369 0.900 0.700 CB 1.182 Z: 7 4.900 1.541 0.652 0.572 1.000 0.500 CB 0.733 Z: 22 8.767 1.705 0.424 0.434 0.714 0.524 CB 1.182 22 residues pruned to eliminate duplicates Z: 11 5.030 1.599 0.539 0.225 0.600 0.500 CA 1.486 Z: 12 9.161 1.588 0.774 0.416 0.909 0.455 CB 1.178 12 residues pruned to eliminate duplicates Z: 7 2.561 1.410 0.332 0.603 0.833 0.500 CB 0.605 7 residues pruned to eliminate duplicates Z: 9 4.110 1.522 0.274 0.435 0.875 0.625 CB 0.916 Z: 11 6.217 1.484 0.758 0.366 0.800 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 10 3.294 1.485 0.347 0.176 0.667 0.333 N 1.219 Z: 6 4.451 1.526 0.541 0.790 0.800 0.200 CB 0.820 Z: 34 11.699 1.563 0.474 0.520 0.848 0.485 CB 1.021 19 residues pruned to eliminate duplicates Z: 15 2.930 1.659 0.305 0.370 0.500 0.429 CB 0.831 Z: 8 5.676 1.408 0.494 0.523 0.857 0.429 CB 1.164 Z: 8 6.699 1.772 0.640 0.512 0.571 0.571 N 1.507 Z: 10 10.285 1.802 0.650 0.646 0.889 0.556 CB 1.132 12 residues pruned to eliminate duplicates Z: 8 6.452 1.438 0.684 0.801 1.000 0.571 CB 0.774 7 residues pruned to eliminate duplicates Z: 7 2.969 1.706 0.224 0.395 0.500 0.500 O 1.298 Z: 9 3.749 1.517 0.372 0.384 0.625 0.250 N 1.152 4 residues pruned to eliminate duplicates Z: 6 7.590 1.406 1.142 0.744 1.000 0.400 N 0.906 Z: 14 12.773 1.569 0.494 0.689 0.923 0.462 CB 1.377 14 residues pruned to eliminate duplicates Z: 8 4.821 1.423 0.534 0.420 0.714 0.286 N 1.270 Z: 23 9.620 1.615 0.668 0.341 0.773 0.364 CB 1.171 23 residues pruned to eliminate duplicates Z: 12 4.466 1.542 0.614 0.223 0.727 0.364 CB 1.029 Z: 20 7.421 1.726 0.454 0.445 0.684 0.474 CB 1.049 12 residues pruned to eliminate duplicates Z: 18 21.187 1.698 1.165 0.904 0.941 0.353 CB 1.058 17 residues pruned to eliminate duplicates Z: 8 5.022 1.436 0.408 0.709 0.857 0.714 CB 0.906 Z: 8 10.545 1.644 0.515 0.776 0.857 0.857 O 1.462 8 residues pruned to eliminate duplicates Z: 6 4.143 1.666 0.334 0.297 0.800 0.400 CB 1.308 Z: 9 4.126 1.140 0.467 0.656 1.000 0.500 O 0.754 Z: 10 6.624 1.598 0.450 0.610 0.667 0.556 CB 1.287 10 residues pruned to eliminate duplicates Z: 8 7.401 1.588 1.010 0.740 0.714 0.714 O 0.990 9 residues pruned to eliminate duplicates Z: 14 4.302 1.517 0.404 0.150 0.769 0.308 CB 1.121 8 residues pruned to eliminate duplicates Z: 12 7.299 1.519 0.447 0.481 1.000 0.364 CB 1.021 Z: 13 17.635 1.810 0.602 0.914 1.000 1.000 CB 1.241 13 residues pruned to eliminate duplicates Z: 15 13.833 1.624 0.662 0.789 0.857 0.786 O 1.240 15 residues pruned to eliminate duplicates Z: 12 4.401 1.510 0.319 0.318 0.636 0.273 N 1.280 Z: 18 8.681 1.626 0.659 0.264 0.941 0.647 CB 1.085 18 residues pruned to eliminate duplicates Z: 9 2.081 1.611 0.311 0.335 0.625 0.250 CB 0.668 Z: 8 2.176 1.297 0.383 0.484 0.714 0.429 O 0.652 Z: 24 12.814 1.724 0.724 0.593 0.739 0.609 CB 1.113 24 residues pruned to eliminate duplicates Z: 48 27.019 1.815 0.754 0.641 0.872 0.617 CB 1.244 41 residues pruned to eliminate duplicates Z: 8 6.484 1.523 0.205 0.809 1.000 0.714 CB 1.020 Z: 6 8.939 1.515 0.559 0.852 1.000 0.800 CB 1.252 Z: 6 2.575 1.386 0.489 0.639 0.800 0.800 C 0.612 6 1.629 1.513 0.377 0.312 0.600 0.400 CB 0.718 ? Z: 6 3.256 1.548 0.125 0.455 0.800 0.600 CB 1.095 6 residues pruned to eliminate duplicates Z: 13 4.195 1.491 0.522 0.336 0.667 0.333 CB 0.958 Z: 12 6.018 1.479 0.463 0.859 0.909 0.818 CB 0.679 8 residues pruned to eliminate duplicates 6 1.454 1.387 0.106 0.308 0.600 0.400 CB 0.875 ? Z: 9 3.195 1.300 0.405 0.247 0.750 0.375 O 1.104 Z: 7 6.508 1.620 0.419 0.679 0.833 0.500 O 1.177 7 residues pruned to eliminate duplicates Z: 6 3.507 1.457 0.924 0.277 0.600 0.400 N 1.200 Z: 15 9.890 1.405 0.536 0.871 1.000 0.929 CB 0.893 Z: 17 6.439 1.504 0.371 0.471 0.688 0.375 CB 1.169 Z: 11 5.667 1.594 0.900 0.307 0.800 0.500 CB 0.916 6 residues pruned to eliminate duplicates Z: 23 11.329 1.731 0.377 0.659 0.818 0.591 CB 1.069 25 residues pruned to eliminate duplicates Z: 6 3.509 1.546 -0.165 0.622 1.000 1.000 CB 1.083 Z: 9 3.284 1.513 -0.244 0.472 1.000 0.875 CB 1.044 Z: 11 4.754 1.489 0.670 0.218 0.700 0.500 CB 1.203 11 residues pruned to eliminate duplicates Z: 20 10.125 1.558 0.457 0.520 1.000 0.421 CB 1.004 20 residues pruned to eliminate duplicates Z: 15 21.463 1.777 0.973 0.823 1.000 0.714 CB 1.237 15 residues pruned to eliminate duplicates Z: 6 2.732 1.412 0.275 0.428 0.800 0.600 N 0.914 Z: 9 4.382 1.447 0.801 0.323 0.750 0.250 CB 0.963 Z: 8 6.380 1.520 0.252 0.873 1.000 1.000 CB 0.923 8 residues pruned to eliminate duplicates Z: 6 2.738 1.660 0.611 0.405 0.600 0.400 CB 0.844 Z: 9 3.241 1.518 0.572 0.738 0.625 0.500 CB 0.621 9 residues pruned to eliminate duplicates Z: 15 11.327 1.567 0.516 0.791 0.857 0.643 O 1.152 15 residues pruned to eliminate duplicates Z: 14 10.134 1.554 0.540 0.787 0.923 0.769 CB 0.988 14 residues pruned to eliminate duplicates Z: 6 2.428 1.488 0.363 0.296 0.600 0.400 N 1.120 Z: 7 3.834 1.292 0.957 0.569 0.833 0.667 CB 0.695 Z: 13 9.432 1.588 0.377 0.757 0.917 0.333 O 1.081 13 residues pruned to eliminate duplicates Z: 10 2.904 1.161 0.266 0.342 0.778 0.444 C 1.005 Z: 6 2.201 1.333 0.564 0.261 0.600 0.400 O 1.034 Z: 6 5.065 1.805 0.237 0.601 0.800 0.600 CB 1.152 Z: 9 4.862 1.487 0.543 0.400 0.750 0.625 CB 1.110 Z: 25 12.128 1.602 0.589 0.412 0.875 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 11 9.111 1.385 0.423 0.882 1.000 0.800 CB 1.058 10 residues pruned to eliminate duplicates Z: 12 4.538 1.424 0.368 0.506 0.636 0.545 N 1.097 Z: 14 3.467 1.413 0.316 0.298 0.692 0.308 CB 0.935 Z: 6 5.350 1.529 1.147 0.578 0.600 0.600 O 1.127 6 residues pruned to eliminate duplicates Z: 6 4.755 1.170 0.499 0.783 1.000 0.600 CB 0.945 Z: 9 5.745 1.521 0.291 0.861 1.000 1.000 CB 0.760 Z: 13 6.211 1.371 0.390 0.444 0.833 0.500 CB 1.196 7 residues pruned to eliminate duplicates Z: 9 2.157 1.495 0.289 0.180 0.625 0.250 CB 0.931 Z: 7 3.076 1.409 0.850 0.271 0.667 0.333 CB 0.937 Z: 10 2.005 1.232 0.484 0.274 0.556 0.444 CB 0.850 Z: 17 9.683 1.569 0.573 0.820 0.875 0.500 CB 0.850 17 residues pruned to eliminate duplicates Z: 10 2.876 1.484 0.398 0.248 0.667 0.444 CB 0.926 Z: 10 5.346 1.414 0.328 0.599 0.889 0.444 CB 0.972 8 residues pruned to eliminate duplicates Z: 13 5.257 1.358 0.368 0.385 0.833 0.333 C 1.107 Z: 6 8.295 1.634 1.015 0.875 1.000 0.800 CB 0.819 Z: 6 4.413 1.565 0.102 0.574 1.000 0.600 CB 1.065 6 1.312 1.253 0.685 0.312 0.400 0.400 CB 0.856 ? 8 1.917 1.403 0.210 0.383 0.571 0.429 CB 0.846 ? Z: 12 2.011 1.050 0.530 0.173 0.818 0.545 CB 0.685 Z: 9 9.400 1.576 0.762 0.811 0.750 0.625 CB 1.217 Z: 7 3.568 1.670 0.354 0.363 0.667 0.500 N 1.120 Z: 9 8.926 1.504 0.947 0.636 1.000 0.500 CB 0.949 8 residues pruned to eliminate duplicates Z: 6 2.070 1.626 0.665 0.769 0.800 0.600 CB 0.337 Z: 9 3.951 1.502 0.331 0.247 0.750 0.250 CB 1.247 10 residues pruned to eliminate duplicates Z: 14 19.353 1.671 0.862 0.890 1.000 0.846 CB 1.242 15 residues pruned to eliminate duplicates 6 0.464 1.095 -0.209 0.799 1.000 0.800 CB 0.184 ? Z: 6 2.334 1.275 0.574 0.328 0.800 0.400 N 0.785 Z: 6 2.260 1.375 0.146 0.290 0.800 0.400 N 1.015 Z: 6 3.705 1.319 0.575 0.588 0.800 0.800 N 0.916 8 1.295 1.449 0.209 0.346 0.571 0.571 CB 0.578 ? Z: 12 7.669 1.393 0.665 0.490 1.000 0.455 CB 1.007 11 residues pruned to eliminate duplicates Z: 6 5.835 1.225 0.632 0.788 1.000 1.000 O 1.013 6 residues pruned to eliminate duplicates Z: 8 3.304 1.338 0.287 0.226 0.857 0.429 N 1.166 Z: 12 2.344 1.505 0.159 0.079 0.727 0.455 CB 0.961 Z: 12 10.807 1.615 0.750 0.807 0.909 0.727 CB 0.970 12 residues pruned to eliminate duplicates Z: 10 13.622 1.958 0.799 0.498 0.889 0.444 CB 1.453 14 residues pruned to eliminate duplicates Z: 8 2.824 1.580 0.266 0.231 0.571 0.286 CB 1.277 Z: 7 5.876 1.627 0.463 0.803 1.000 0.667 CB 0.774 Z: 15 9.461 1.560 0.764 0.350 0.857 0.429 CB 1.261 15 residues pruned to eliminate duplicates Z: 13 3.796 1.304 0.466 0.389 0.583 0.250 CB 1.105 Z: 6 3.314 1.551 0.412 0.312 0.800 0.400 CB 1.042 Z: 12 7.643 1.420 0.506 0.788 0.818 0.545 CB 1.022 Z: 8 3.801 1.457 0.620 0.280 0.857 0.429 N 0.911 Z: 6 3.526 1.419 0.212 0.596 0.800 0.600 N 1.046 Z: 9 7.332 1.400 0.665 0.755 0.875 0.750 O 1.013 8 residues pruned to eliminate duplicates Z: 7 7.832 1.567 0.562 0.796 1.000 0.667 O 1.008 9 residues pruned to eliminate duplicates Z: 6 5.233 1.405 0.439 0.855 1.000 0.800 CB 0.855 6 residues pruned to eliminate duplicates Z: 8 2.416 1.423 0.782 0.117 0.571 0.286 N 1.021 Z: 19 14.880 1.701 0.636 0.858 0.889 0.667 CB 1.044 19 residues pruned to eliminate duplicates Z: 8 2.839 1.328 0.621 0.295 0.571 0.429 CB 1.097 Z: 8 4.100 1.369 0.354 0.660 0.714 0.571 CB 1.009 Z: 8 8.491 1.502 0.634 0.861 1.000 0.857 N 0.961 9 residues pruned to eliminate duplicates Z: 6 5.762 1.632 0.851 0.519 0.800 0.400 CB 1.047 Z: 9 6.660 1.466 0.537 0.906 1.000 1.000 CB 0.743 Z: 12 8.804 1.567 0.412 0.851 0.909 0.727 CB 0.977 8 residues pruned to eliminate duplicates Z: 20 26.401 1.805 0.942 0.927 1.000 0.842 CB 1.211 20 residues pruned to eliminate duplicates Z: 8 3.513 1.353 0.300 0.554 0.714 0.571 N 1.003 Z: 8 3.091 1.301 0.601 0.210 0.857 0.429 CB 0.921 Z: 9 8.205 1.818 0.957 0.485 0.750 0.250 CB 1.104 9 residues pruned to eliminate duplicates Z: 14 3.850 1.345 0.581 0.305 0.769 0.462 CB 0.811 6 1.629 1.258 0.248 0.300 0.600 0.600 CB 0.967 ? Z: 6 6.168 1.600 0.522 0.633 1.000 1.000 CB 1.000 6 residues pruned to eliminate duplicates 7 1.483 1.045 0.733 0.517 0.667 0.333 CB 0.493 ? Z: 8 8.594 1.662 0.731 0.599 0.857 0.429 O 1.199 24 residues pruned to eliminate duplicates Z: 8 3.779 1.426 0.301 0.383 0.857 0.571 CB 1.017 Z: 10 9.088 1.688 0.616 0.531 0.889 0.667 N 1.211 6 residues pruned to eliminate duplicates Z: 6 2.265 1.365 0.130 0.291 1.000 1.000 N 0.831 Z: 6 3.999 1.375 0.550 0.481 0.800 0.600 CB 1.069 Z: 6 5.115 1.586 0.253 0.617 1.000 0.600 CB 1.030 Z: 6 4.240 1.315 0.642 0.563 0.800 0.800 N 1.033 6 1.941 1.347 0.911 0.643 0.600 0.600 CB 0.492 ? Z: 9 6.681 1.409 0.350 0.677 1.000 0.750 CB 1.055 6 residues pruned to eliminate duplicates Z: 6 3.686 1.547 0.386 0.844 0.800 0.800 CB 0.715 Z: 7 2.350 1.311 0.542 0.377 0.667 0.333 O 0.812 Z: 6 6.275 1.465 0.826 0.436 1.000 0.800 O 1.121 Z: 6 2.836 1.678 0.748 0.290 0.600 0.400 CB 0.912 Z: 11 5.534 1.445 0.225 0.512 0.900 0.500 CB 1.085 10 residues pruned to eliminate duplicates Z: 12 20.735 1.817 0.654 0.896 1.000 0.818 CB 1.490 12 residues pruned to eliminate duplicates Z: 9 11.779 1.544 0.880 0.895 1.000 1.000 O 1.029 Z: 9 2.966 1.472 -0.090 0.471 1.000 0.875 CB 0.806 9 residues pruned to eliminate duplicates Z: 6 5.483 1.474 0.609 0.825 0.800 0.400 CB 0.975 6 residues pruned to eliminate duplicates 7 1.099 1.510 0.011 0.249 0.667 0.667 CB 0.589 ? Z: 16 7.023 1.686 0.340 0.338 0.800 0.467 CB 1.198 Z: 9 4.806 1.450 0.145 0.676 1.000 0.750 CB 0.871 9 residues pruned to eliminate duplicates Z: 8 4.580 1.635 -0.080 0.806 1.000 0.714 CB 0.881 8 residues pruned to eliminate duplicates Z: 10 8.152 1.561 0.325 0.848 1.000 0.778 CB 0.975 7 residues pruned to eliminate duplicates Z: 7 4.543 1.914 0.086 0.843 1.000 0.833 CB 0.664 7 residues pruned to eliminate duplicates Z: 6 2.673 1.376 0.773 0.321 0.600 0.400 CB 0.995 Z: 18 7.795 1.680 0.621 0.256 0.824 0.647 CB 1.115 12 residues pruned to eliminate duplicates 6 1.521 1.055 0.965 0.697 0.800 0.400 CB 0.342 ? Z: 9 5.597 1.644 0.443 0.203 0.875 0.375 CB 1.356 6 1.611 1.271 0.265 0.467 0.600 0.600 N 0.772 ? Z: 14 5.549 1.468 0.469 0.338 0.769 0.462 CB 1.107 13 residues pruned to eliminate duplicates Z: 9 5.138 1.548 0.629 0.409 0.625 0.375 CB 1.269 6 residues pruned to eliminate duplicates Z: 16 5.007 1.429 0.501 0.249 0.733 0.267 CB 1.099 11 residues pruned to eliminate duplicates Z: 6 4.142 1.512 0.746 0.253 0.800 0.400 CB 1.164 Z: 8 8.794 1.436 0.809 0.878 1.000 0.857 CB 0.928 8 residues pruned to eliminate duplicates 6 1.059 1.327 0.128 0.261 0.600 0.600 CB 0.694 ? Z: 6 2.707 1.425 0.242 0.293 0.800 0.800 N 1.078 Z: 8 5.979 1.358 0.658 0.673 0.857 0.857 O 0.998 6 residues pruned to eliminate duplicates Z: 8 7.569 1.517 0.400 0.886 1.000 0.857 CB 0.972 8 residues pruned to eliminate duplicates Z: 6 5.420 1.469 1.106 0.786 0.800 0.600 CB 0.762 6 residues pruned to eliminate duplicates Z: 7 2.297 1.489 0.431 0.085 0.667 0.333 CB 1.128 Z: 7 2.255 1.519 0.097 0.548 0.667 0.500 CB 0.791 Z: 7 4.918 1.370 0.804 0.681 0.833 0.833 CB 0.825 7 residues pruned to eliminate duplicates Z: 10 8.304 1.634 0.574 0.806 0.778 0.667 CB 1.060 13 residues pruned to eliminate duplicates Z: 12 7.383 1.773 0.557 0.363 0.636 0.364 N 1.468 12 residues pruned to eliminate duplicates Z: 10 6.694 1.427 0.697 0.887 0.889 0.889 CB 0.748 10 residues pruned to eliminate duplicates 6 1.818 1.169 0.791 0.320 0.800 0.400 N 0.592 ? Z: 13 7.404 1.315 0.691 0.683 0.833 0.333 CB 0.975 Z: 7 3.349 1.667 0.480 0.592 0.500 0.500 CB 1.015 Z: 12 4.452 1.446 0.087 0.467 0.909 0.818 CB 0.972 12 residues pruned to eliminate duplicates Z: 19 13.378 1.657 0.513 0.623 0.889 0.611 CB 1.259 19 residues pruned to eliminate duplicates Z: 7 4.226 1.653 0.069 0.642 0.833 0.667 O 1.026 Z: 6 4.858 1.421 0.742 0.641 0.800 0.800 CB 0.961 6 residues pruned to eliminate duplicates Z: 7 2.126 1.211 -0.035 0.424 0.833 0.333 N 0.964 756 residues left after pruning, divided into chains as follows: A: 23 B: 16 C: 13 D: 14 E: 8 F: 14 G: 16 H: 10 I: 13 J: 9 K: 6 L: 13 M: 16 N: 12 O: 8 P: 6 Q: 7 R: 14 S: 10 T: 10 U: 16 V: 9 W: 11 X: 13 Y: 6 Z: 14 Z: 8 Z: 9 Z: 17 Z: 12 Z: 26 Z: 35 Z: 6 Z: 19 Z: 22 Z: 10 Z: 44 Z: 11 Z: 8 Z: 12 Z: 7 Z: 8 Z: 11 Z: 6 Z: 10 Z: 8 Z: 6 Z: 10 Z: 6 Z: 9 Z: 10 Z: 8 Z: 11 Z: 6 Z: 12 Z: 13 Z: 9 Z: 9 Z: 16 Z: 13 Z: 14 Z: 8 CC for partial structure against native data = 27.37 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.608, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.719, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.743, Connect. = 0.766 for dens.mod. cycle 4 = 0.300, Contrast = 0.761, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.770, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.782, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.784, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.785, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3812 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 985 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 6 17.088 2.109 0.579 0.808 1.000 0.600 CB 1.755 B: 12 23.909 1.998 0.982 0.832 0.909 0.818 CB 1.504 C: 17 19.920 1.782 0.734 0.906 1.000 0.688 CB 1.146 D: 13 13.119 1.750 0.562 0.710 0.917 0.500 CB 1.250 E: 13 15.715 1.927 0.841 0.757 0.833 0.500 CB 1.221 F: 8 8.031 1.955 0.251 0.746 0.857 0.857 CB 1.162 8 residues pruned to eliminate duplicates G: 15 21.735 1.900 0.636 0.897 1.000 0.929 CB 1.338 H: 13 20.931 2.036 0.510 0.916 0.917 0.833 CB 1.515 I: 16 8.805 1.815 0.600 0.759 0.667 0.333 CB 0.933 14 residues pruned to eliminate duplicates J: 19 6.806 1.634 0.603 0.316 0.611 0.278 CB 1.229 K: 13 23.775 2.142 0.674 0.879 1.000 0.833 CB 1.388 13 residues pruned to eliminate duplicates L: 28 18.709 1.944 0.762 0.585 0.778 0.444 CB 1.246 13 residues pruned to eliminate duplicates M: 14 19.463 1.925 0.514 0.905 1.000 1.000 CB 1.317 14 residues pruned to eliminate duplicates N: 8 9.637 1.954 0.835 0.502 0.714 0.571 N 1.419 O: 11 21.151 1.878 0.718 0.891 1.000 0.900 O 1.490 11 residues pruned to eliminate duplicates P: 12 7.541 1.909 0.430 0.336 0.727 0.182 CB 1.370 Q: 15 27.235 1.929 0.948 0.903 1.000 0.857 CB 1.380 15 residues pruned to eliminate duplicates R: 10 13.493 1.769 0.391 0.806 1.000 1.000 O 1.400 S: 15 17.834 1.781 1.001 0.718 0.929 0.429 CB 1.182 T: 12 8.228 1.754 0.472 0.810 0.909 0.545 CB 0.807 U: 15 22.232 1.961 0.814 0.843 0.857 0.429 CB 1.452 12 residues pruned to eliminate duplicates V: 9 10.445 1.938 0.659 0.749 0.750 0.375 CB 1.227 W: 10 12.954 1.800 0.853 0.837 0.667 0.667 CB 1.452 9 residues pruned to eliminate duplicates X: 11 12.812 1.664 0.613 0.676 1.000 0.500 CB 1.284 Y: 21 16.361 1.813 0.444 0.802 0.850 0.600 CB 1.263 Z: 9 6.666 1.941 0.331 0.596 0.625 0.375 CB 1.331 Z: 13 10.606 1.854 0.695 0.839 0.833 0.583 CB 0.874 Z: 6 3.539 1.635 0.212 0.293 1.000 1.000 CB 1.007 Z: 14 23.056 1.864 0.863 0.899 1.000 0.846 CB 1.316 14 residues pruned to eliminate duplicates Z: 18 27.453 1.881 0.909 0.886 1.000 0.471 CB 1.338 17 residues pruned to eliminate duplicates Z: 15 24.670 1.967 1.038 0.939 1.000 0.857 CB 1.143 16 residues pruned to eliminate duplicates Z: 10 14.819 1.837 0.427 0.838 1.000 0.667 CB 1.408 Z: 10 12.459 1.786 0.899 0.573 0.778 0.556 CB 1.467 19 residues pruned to eliminate duplicates Z: 16 19.654 1.891 0.637 0.867 0.933 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 13 20.769 2.077 0.822 0.865 1.000 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 13 11.168 1.765 0.370 0.563 0.917 0.667 N 1.369 Z: 8 9.821 1.712 0.512 0.554 0.857 0.857 O 1.589 Z: 9 10.726 1.927 0.785 0.635 0.875 0.500 CB 1.110 8 residues pruned to eliminate duplicates Z: 21 23.188 1.979 0.838 0.635 0.900 0.750 CB 1.396 21 residues pruned to eliminate duplicates Z: 11 6.240 1.781 0.633 0.303 0.800 0.600 CB 1.055 11 residues pruned to eliminate duplicates Z: 8 2.406 1.392 0.507 0.251 0.571 0.286 N 1.011 Z: 27 17.806 1.949 0.825 0.469 0.808 0.577 CB 1.255 14 residues pruned to eliminate duplicates Z: 6 2.088 1.446 0.180 0.376 0.600 0.400 N 1.040 6 residues pruned to eliminate duplicates Z: 13 18.124 1.801 0.750 0.828 1.000 0.500 CB 1.250 Z: 18 15.079 1.778 0.672 0.815 0.941 0.647 CB 0.994 16 residues pruned to eliminate duplicates Z: 14 9.329 1.799 0.597 0.543 0.692 0.462 CB 1.248 14 residues pruned to eliminate duplicates Z: 30 26.128 1.941 0.823 0.645 0.828 0.690 CB 1.447 27 residues pruned to eliminate duplicates Z: 11 14.727 1.893 0.590 0.861 1.000 0.700 CB 1.137 Z: 11 10.675 1.666 0.560 0.617 0.900 0.600 O 1.291 11 residues pruned to eliminate duplicates Z: 6 5.777 1.796 0.641 0.472 0.600 0.600 N 1.503 Z: 17 17.452 1.810 0.538 0.740 0.875 0.438 CB 1.445 15 residues pruned to eliminate duplicates Z: 15 16.523 1.802 0.553 0.858 0.929 0.714 CB 1.252 13 residues pruned to eliminate duplicates Z: 12 6.922 1.668 0.550 0.363 0.818 0.545 CB 1.143 Z: 31 30.735 1.945 1.034 0.672 0.933 0.600 CB 1.296 29 residues pruned to eliminate duplicates Z: 6 3.325 1.622 0.447 0.478 0.800 0.600 CB 0.810 Z: 12 28.669 2.169 0.833 0.927 1.000 0.909 CB 1.523 12 residues pruned to eliminate duplicates Z: 20 25.401 1.942 0.859 0.849 0.947 0.737 CB 1.263 20 residues pruned to eliminate duplicates Z: 6 5.688 1.695 0.620 0.711 0.800 0.400 CB 0.956 Z: 13 15.765 1.984 0.263 0.881 1.000 0.833 CB 1.315 13 residues pruned to eliminate duplicates Z: 14 11.750 1.993 0.554 0.644 0.769 0.538 CB 1.195 14 residues pruned to eliminate duplicates Z: 10 13.078 1.694 0.356 0.892 1.000 0.889 N 1.364 10 residues pruned to eliminate duplicates Z: 10 18.623 1.854 1.018 0.852 1.000 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 11 5.910 1.713 0.747 0.231 0.700 0.400 O 1.220 Z: 6 8.780 1.907 1.166 0.443 0.800 0.400 CB 1.260 Z: 15 27.430 1.980 0.919 0.881 0.929 0.500 CB 1.505 14 residues pruned to eliminate duplicates Z: 12 7.139 1.779 0.374 0.514 0.818 0.636 CB 1.061 Z: 16 10.057 1.754 0.445 0.761 0.867 0.667 CB 0.938 Z: 16 21.345 1.908 0.893 0.764 0.800 0.467 CB 1.509 16 residues pruned to eliminate duplicates Z: 13 8.762 1.951 0.615 0.486 0.667 0.333 CB 1.221 Z: 11 11.765 1.685 0.644 0.770 0.900 0.900 CB 1.175 Z: 7 3.808 1.804 0.249 0.498 0.667 0.500 CB 1.038 Z: 7 4.228 1.809 -0.014 0.345 0.833 0.333 N 1.374 6 residues pruned to eliminate duplicates Z: 13 5.637 1.775 0.340 0.301 0.667 0.417 CB 1.281 7 residues pruned to eliminate duplicates Z: 6 2.615 1.637 0.303 0.615 0.600 0.400 CB 0.820 Z: 17 9.965 1.598 0.497 0.775 0.875 0.688 CB 0.933 6 residues pruned to eliminate duplicates Z: 11 6.051 1.514 0.266 0.838 0.800 0.700 CB 0.932 Z: 16 33.270 1.990 0.995 0.921 1.000 0.600 CB 1.523 16 residues pruned to eliminate duplicates Z: 8 9.660 1.855 0.338 0.736 0.857 0.857 N 1.389 8 residues pruned to eliminate duplicates Z: 14 10.320 1.744 0.281 0.827 0.923 0.846 O 1.047 Z: 9 3.628 1.626 0.210 0.770 0.750 0.625 O 0.685 Z: 17 16.491 1.988 0.679 0.607 0.812 0.625 CB 1.373 23 residues pruned to eliminate duplicates Z: 11 14.012 1.900 0.825 0.650 0.800 0.600 CB 1.389 11 residues pruned to eliminate duplicates Z: 9 4.661 1.564 0.290 0.469 0.750 0.750 CB 1.123 Z: 18 12.392 1.775 0.780 0.508 0.824 0.353 CB 1.146 18 residues pruned to eliminate duplicates Z: 17 6.226 1.748 0.395 0.393 0.750 0.625 CB 0.953 6 residues pruned to eliminate duplicates Z: 7 10.437 1.725 1.096 0.850 0.833 0.833 CB 1.048 Z: 24 15.481 1.896 0.601 0.620 0.826 0.696 CB 1.150 23 residues pruned to eliminate duplicates Z: 13 16.007 1.835 0.650 0.895 0.917 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 10 9.716 1.785 0.545 0.883 1.000 0.889 CB 0.849 Z: 9 3.193 1.765 0.074 0.401 0.625 0.500 CB 1.056 Z: 9 12.264 1.849 0.583 0.745 0.875 0.375 CB 1.361 9 residues pruned to eliminate duplicates Z: 15 21.845 1.856 0.646 0.903 1.000 0.714 CB 1.362 14 residues pruned to eliminate duplicates Z: 6 8.806 1.867 0.612 0.684 0.800 0.600 CB 1.381 Z: 11 3.862 1.564 0.504 0.283 0.700 0.300 N 0.947 Z: 9 9.149 1.702 0.462 0.875 0.875 0.750 CB 1.080 Z: 9 6.930 1.583 0.470 0.754 0.875 0.625 CB 0.960 Z: 8 3.104 1.641 0.436 0.212 0.714 0.571 CB 0.978 Z: 13 4.877 1.794 0.355 0.431 0.667 0.333 CB 0.933 Z: 24 31.569 1.970 0.698 0.863 1.000 0.826 CB 1.444 28 residues pruned to eliminate duplicates Z: 9 12.697 1.848 0.363 0.864 1.000 0.750 CB 1.306 8 residues pruned to eliminate duplicates Z: 16 10.377 1.817 0.689 0.411 0.667 0.533 N 1.438 22 residues pruned to eliminate duplicates Z: 8 3.638 1.609 0.305 0.743 0.714 0.571 CB 0.737 Z: 13 8.730 1.644 0.313 0.390 0.917 0.583 CB 1.432 Z: 14 5.666 1.604 0.499 0.263 0.769 0.308 CB 1.114 Z: 15 20.466 1.844 0.833 0.888 0.929 0.786 CB 1.256 15 residues pruned to eliminate duplicates Z: 9 7.402 1.683 0.556 0.582 0.875 0.625 CB 1.055 9 residues pruned to eliminate duplicates Z: 8 9.596 1.612 0.582 0.814 0.857 0.714 CB 1.263 8 residues pruned to eliminate duplicates Z: 7 3.713 1.243 0.940 0.565 0.667 0.333 O 0.885 Z: 14 16.282 1.900 0.728 0.870 0.923 0.769 CB 1.088 14 residues pruned to eliminate duplicates Z: 26 14.015 1.788 0.639 0.454 0.880 0.560 CB 1.140 Z: 8 12.567 1.733 0.724 0.900 1.000 0.571 CB 1.135 9 residues pruned to eliminate duplicates Z: 7 6.022 1.866 0.265 0.846 1.000 0.833 CB 0.774 Z: 6 5.504 1.904 0.735 0.847 1.000 0.800 CB 0.553 Z: 11 2.838 1.630 0.436 0.323 0.400 0.400 CB 1.164 Z: 11 13.726 1.903 0.387 0.901 1.000 1.000 CB 1.175 11 residues pruned to eliminate duplicates Z: 11 8.718 1.622 0.203 0.916 1.000 0.800 CB 0.997 Z: 11 5.889 1.530 0.413 0.798 1.000 0.600 CB 0.664 11 residues pruned to eliminate duplicates Z: 6 5.044 1.858 -0.144 0.658 1.000 0.800 CB 1.224 Z: 13 11.416 1.714 0.699 0.509 0.917 0.667 CB 1.223 Z: 11 7.762 1.740 1.039 0.787 0.900 0.500 CB 0.597 6 residues pruned to eliminate duplicates Z: 9 8.753 1.861 0.631 0.727 0.750 0.500 CB 1.107 9 residues pruned to eliminate duplicates Z: 14 16.201 1.780 0.656 0.851 0.923 0.769 O 1.222 13 residues pruned to eliminate duplicates Z: 10 17.242 1.885 0.675 0.772 1.000 0.667 CB 1.431 9 residues pruned to eliminate duplicates Z: 9 10.196 1.810 0.372 0.862 0.875 0.875 CB 1.218 Z: 7 5.646 1.628 0.211 0.715 0.833 0.667 CB 1.155 Z: 8 9.097 1.846 0.702 0.612 0.714 0.714 CB 1.378 8 residues pruned to eliminate duplicates Z: 14 7.240 1.877 0.290 0.591 0.692 0.538 CB 1.098 14 residues pruned to eliminate duplicates Z: 11 6.482 1.784 0.754 0.441 0.900 0.600 CB 0.774 12 residues pruned to eliminate duplicates Z: 8 5.345 1.659 0.304 0.474 0.714 0.429 O 1.342 Z: 7 3.908 1.534 0.171 0.396 0.833 0.500 N 1.189 Z: 6 2.808 1.467 0.651 0.299 0.800 0.600 N 0.811 Z: 15 4.940 1.742 0.324 0.459 0.714 0.429 CB 0.836 15 residues pruned to eliminate duplicates Z: 17 5.505 1.663 0.439 0.246 0.750 0.438 CB 1.028 15 residues pruned to eliminate duplicates Z: 18 19.011 1.941 0.598 0.822 0.941 0.824 CB 1.195 18 residues pruned to eliminate duplicates Z: 8 9.221 1.645 0.393 0.683 1.000 0.714 CB 1.286 Z: 20 30.859 1.962 1.059 0.885 0.947 0.684 CB 1.336 20 residues pruned to eliminate duplicates Z: 16 31.710 2.005 0.944 0.917 1.000 0.733 CB 1.483 16 residues pruned to eliminate duplicates Z: 22 5.850 1.556 0.426 0.303 0.667 0.429 CB 1.075 Z: 7 4.660 1.418 0.405 0.542 0.833 0.333 CB 1.100 Z: 10 3.969 1.631 0.623 0.828 0.889 0.667 CB 0.423 Z: 14 19.838 1.903 0.489 0.842 1.000 0.692 CB 1.446 15 residues pruned to eliminate duplicates Z: 7 3.588 1.200 0.463 0.517 0.833 0.333 CA 0.985 Z: 15 23.424 1.965 0.799 0.901 1.000 1.000 CB 1.264 16 residues pruned to eliminate duplicates Z: 20 11.050 1.629 0.566 0.660 0.895 0.632 CB 0.957 11 residues pruned to eliminate duplicates Z: 12 3.711 1.670 1.295 0.671 0.909 0.727 CB 0.274 11 residues pruned to eliminate duplicates Z: 6 5.373 1.556 0.435 0.710 1.000 0.800 CB 0.889 Z: 12 10.243 1.919 0.535 0.372 1.000 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 21 21.361 1.854 0.679 0.855 0.900 0.600 CB 1.258 21 residues pruned to eliminate duplicates Z: 20 30.958 1.960 1.057 0.900 1.000 0.737 CB 1.259 20 residues pruned to eliminate duplicates Z: 9 7.464 1.757 0.473 0.802 0.750 0.750 CB 1.044 9 residues pruned to eliminate duplicates Z: 16 21.017 1.930 0.500 0.901 1.000 0.867 O 1.338 16 residues pruned to eliminate duplicates Z: 13 15.904 1.843 1.021 0.754 0.750 0.500 CB 1.311 13 residues pruned to eliminate duplicates Z: 11 6.420 1.554 0.519 0.643 0.700 0.400 O 1.075 6 residues pruned to eliminate duplicates Z: 6 4.834 1.934 0.659 0.817 1.000 1.000 CB 0.511 Z: 12 7.107 1.627 0.365 0.672 0.909 0.636 O 0.906 9 residues pruned to eliminate duplicates Z: 8 16.683 1.995 0.741 0.782 0.857 0.571 CB 1.653 8 residues pruned to eliminate duplicates Z: 6 3.042 1.548 0.260 0.287 0.800 0.400 N 1.108 Z: 13 21.876 1.897 0.687 0.866 1.000 0.583 CB 1.445 13 residues pruned to eliminate duplicates Z: 8 4.386 1.558 0.594 0.442 0.714 0.286 CB 0.992 Z: 6 10.606 1.761 0.369 0.802 1.000 0.800 O 1.511 6 residues pruned to eliminate duplicates Z: 10 17.075 1.669 0.961 0.891 1.000 0.667 N 1.251 10 residues pruned to eliminate duplicates 6 -0.110 1.592 0.455 0.406 0.600 0.400 CB-0.039 ? Z: 8 9.026 1.805 0.417 0.894 1.000 1.000 CB 0.957 8 residues pruned to eliminate duplicates Z: 15 9.187 1.509 0.479 0.786 0.857 0.571 CB 0.998 11 residues pruned to eliminate duplicates Z: 20 26.784 1.977 0.653 0.925 1.000 0.895 CB 1.319 20 residues pruned to eliminate duplicates Z: 11 8.163 1.682 0.256 0.639 1.000 0.600 CB 1.073 11 residues pruned to eliminate duplicates Z: 20 22.424 1.926 0.540 0.891 0.947 0.737 CB 1.316 20 residues pruned to eliminate duplicates Z: 11 4.927 1.585 0.795 0.358 0.600 0.600 CB 1.064 Z: 9 2.758 1.469 0.597 0.284 0.875 0.500 CB 0.606 Z: 6 7.972 1.831 0.327 0.839 1.000 1.000 CB 1.097 6 residues pruned to eliminate duplicates Z: 20 9.717 1.785 0.580 0.415 0.737 0.316 CB 1.172 13 residues pruned to eliminate duplicates Z: 8 11.232 1.779 0.437 0.883 1.000 1.000 CB 1.200 8 residues pruned to eliminate duplicates Z: 12 7.338 1.858 0.502 0.785 0.909 0.727 CB 0.679 Z: 6 10.569 1.885 0.584 0.869 1.000 1.000 CB 1.156 Z: 8 6.639 1.810 0.410 0.338 0.857 0.714 CB 1.370 Z: 13 10.747 1.627 0.338 0.814 0.833 0.667 CB 1.301 18 residues pruned to eliminate duplicates Z: 21 13.896 1.826 0.465 0.801 0.900 0.700 CB 0.992 21 residues pruned to eliminate duplicates Z: 7 4.205 1.443 0.447 0.632 1.000 0.500 N 0.726 Z: 7 4.257 1.681 0.171 0.392 0.833 0.500 N 1.188 Z: 10 10.477 1.825 1.012 0.905 0.778 0.667 CB 0.870 11 residues pruned to eliminate duplicates Z: 9 12.455 1.813 0.460 0.795 0.875 0.500 CB 1.468 9 residues pruned to eliminate duplicates Z: 7 14.144 2.015 0.513 0.677 1.000 0.833 CB 1.610 7 residues pruned to eliminate duplicates Z: 7 3.369 1.508 0.113 0.430 0.833 0.500 CB 1.056 Z: 6 3.157 1.584 0.411 0.338 0.600 0.400 CB 1.256 Z: 8 10.887 1.859 0.635 0.816 0.857 0.571 CB 1.200 6 residues pruned to eliminate duplicates Z: 8 10.339 1.997 0.358 0.871 1.000 0.857 CB 1.051 Z: 9 2.112 1.569 0.116 0.289 0.500 0.250 N 1.081 Z: 6 3.397 1.639 0.106 0.254 1.000 0.400 CB 1.111 Z: 33 19.281 1.830 0.783 0.535 0.812 0.562 CB 1.243 29 residues pruned to eliminate duplicates Z: 9 8.825 1.799 0.115 0.856 0.875 0.875 CB 1.311 9 residues pruned to eliminate duplicates Z: 7 5.953 1.711 0.251 0.648 0.833 0.667 CB 1.188 Z: 16 21.419 1.907 0.815 0.882 1.000 0.800 CB 1.156 15 residues pruned to eliminate duplicates Z: 12 14.530 1.866 0.669 0.849 1.000 0.727 CB 1.043 11 residues pruned to eliminate duplicates Z: 18 5.039 1.464 0.082 0.467 0.882 0.529 CB 0.904 Z: 9 8.152 1.708 0.260 0.641 1.000 0.625 CB 1.174 7 residues pruned to eliminate duplicates Z: 7 5.572 1.446 0.288 0.721 1.000 0.667 O 1.000 Z: 9 8.000 1.904 0.138 0.554 0.875 0.625 O 1.416 Z: 6 3.194 1.614 0.168 0.478 0.600 0.400 N 1.291 Z: 8 3.405 1.696 0.002 0.305 1.000 0.429 CB 0.942 Z: 14 17.727 1.918 0.708 0.842 0.846 0.692 CB 1.322 14 residues pruned to eliminate duplicates Z: 11 12.658 1.713 0.821 0.822 0.800 0.500 CB 1.214 11 residues pruned to eliminate duplicates Z: 13 7.541 1.530 0.364 0.486 0.833 0.417 N 1.270 8 residues pruned to eliminate duplicates Z: 12 4.915 1.613 0.173 0.776 0.818 0.636 CB 0.750 12 residues pruned to eliminate duplicates Z: 9 4.158 1.740 0.453 0.458 0.875 0.625 CB 0.694 9 residues pruned to eliminate duplicates Z: 9 4.055 1.898 0.344 0.411 0.875 0.750 CB 0.705 Z: 12 18.269 1.703 0.880 0.862 1.000 0.727 N 1.263 12 residues pruned to eliminate duplicates Z: 11 8.718 1.630 0.483 0.580 0.800 0.700 CB 1.320 11 residues pruned to eliminate duplicates Z: 12 6.224 1.706 0.500 0.660 0.818 0.545 CB 0.773 12 residues pruned to eliminate duplicates Z: 10 2.892 1.868 0.003 0.166 0.667 0.333 CB 1.159 10 residues pruned to eliminate duplicates Z: 7 3.773 1.400 0.002 0.460 1.000 0.333 CB 1.144 Z: 16 16.113 1.770 0.660 0.836 0.933 0.667 CB 1.136 11 residues pruned to eliminate duplicates Z: 6 3.317 1.596 -0.008 0.387 0.800 0.400 O 1.321 Z: 38 12.147 1.891 0.472 0.381 0.757 0.486 CB 1.077 51 residues pruned to eliminate duplicates Z: 16 10.467 1.534 0.348 0.864 0.933 0.733 CB 1.027 16 residues pruned to eliminate duplicates Z: 8 4.427 1.632 0.657 0.349 0.857 0.286 CB 0.851 Z: 12 24.444 2.083 0.739 0.885 0.909 0.636 CB 1.616 12 residues pruned to eliminate duplicates Z: 18 9.831 1.680 0.787 0.508 0.765 0.471 CB 1.031 7 1.918 1.458 0.374 0.361 0.667 0.333 CB 0.681 ? Z: 9 11.028 1.764 0.607 0.853 1.000 0.875 CB 1.016 9 residues pruned to eliminate duplicates Z: 6 3.187 1.452 0.323 0.504 1.000 0.600 CB 0.739 Z: 11 3.685 1.803 0.514 0.163 0.500 0.300 N 1.288 11 residues pruned to eliminate duplicates Z: 15 15.273 1.863 0.638 0.557 0.929 0.500 CB 1.362 15 residues pruned to eliminate duplicates Z: 13 11.998 1.650 0.380 0.786 0.917 0.667 CB 1.291 11 residues pruned to eliminate duplicates Z: 10 5.185 1.476 0.504 0.478 0.778 0.556 CB 1.024 10 residues pruned to eliminate duplicates Z: 12 6.157 1.717 0.339 0.664 0.818 0.455 CB 0.848 Z: 7 8.022 1.537 0.483 0.785 1.000 0.667 CB 1.119 Z: 10 3.899 1.601 0.524 0.403 0.667 0.556 CB 0.885 Z: 8 8.143 1.699 0.366 0.840 0.857 0.714 CB 1.155 8 residues pruned to eliminate duplicates Z: 11 12.003 1.973 0.906 0.878 0.800 0.400 CB 0.915 11 residues pruned to eliminate duplicates Z: 12 11.540 1.616 0.647 0.907 1.000 1.000 CB 0.929 10 residues pruned to eliminate duplicates Z: 13 4.432 1.599 0.376 0.290 0.667 0.500 CB 1.104 13 residues pruned to eliminate duplicates Z: 9 2.413 1.376 0.141 0.293 0.750 0.625 N 0.915 Z: 19 13.180 1.820 0.630 0.521 0.722 0.500 CB 1.420 22 residues pruned to eliminate duplicates Z: 11 5.677 1.529 0.466 0.336 0.800 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 10 4.111 1.518 0.634 0.308 0.667 0.333 CB 1.025 Z: 7 4.665 1.788 -0.003 0.771 1.000 0.833 CB 0.840 7 residues pruned to eliminate duplicates Z: 7 7.164 1.702 0.178 0.744 0.833 0.333 O 1.407 Z: 13 15.898 1.762 0.670 0.746 1.000 0.667 CB 1.251 12 residues pruned to eliminate duplicates 8 1.791 1.600 0.290 0.306 0.714 0.571 CB 0.570 ? Z: 9 7.381 1.766 0.227 0.873 0.875 0.875 CB 1.003 9 residues pruned to eliminate duplicates Z: 9 10.808 1.990 0.696 0.838 0.625 0.250 CB 1.353 9 residues pruned to eliminate duplicates Z: 7 3.504 1.641 -0.039 0.598 1.000 0.500 N 0.826 Z: 11 13.110 1.618 0.568 0.845 1.000 0.700 CB 1.214 Z: 7 4.729 1.636 0.124 0.292 1.000 0.333 CB 1.326 Z: 7 2.544 1.524 0.309 0.288 0.667 0.500 CB 0.991 Z: 15 15.118 1.938 0.645 0.743 0.714 0.357 CB 1.428 15 residues pruned to eliminate duplicates Z: 8 2.119 1.387 0.345 0.212 0.714 0.286 CB 0.845 Z: 10 2.814 1.651 0.039 0.340 0.778 0.556 CB 0.836 Z: 33 11.145 1.640 0.568 0.583 0.812 0.625 CB 0.871 33 residues pruned to eliminate duplicates Z: 8 5.424 1.534 0.277 0.895 1.000 1.000 CB 0.750 Z: 9 8.726 1.840 0.563 0.631 0.625 0.500 O 1.519 Z: 13 8.519 1.613 0.301 0.769 0.917 0.583 CB 1.008 12 residues pruned to eliminate duplicates Z: 12 5.504 1.474 0.782 0.430 0.636 0.545 CB 1.067 Z: 9 6.700 1.582 0.772 0.799 0.625 0.375 CB 1.041 9 residues pruned to eliminate duplicates Z: 13 24.553 1.979 0.887 0.893 1.000 0.917 CB 1.362 13 residues pruned to eliminate duplicates Z: 16 13.596 1.633 0.462 0.904 0.933 0.933 CB 1.123 16 residues pruned to eliminate duplicates Z: 15 18.460 1.827 0.572 0.909 1.000 0.714 CB 1.219 15 residues pruned to eliminate duplicates Z: 8 4.188 1.668 0.620 0.268 0.714 0.429 CB 1.067 Z: 8 5.524 1.823 0.715 0.322 0.714 0.286 CB 1.137 Z: 11 11.142 1.655 0.630 0.698 0.900 0.900 CB 1.212 19 residues pruned to eliminate duplicates Z: 8 4.269 1.637 0.776 0.812 0.714 0.571 CB 0.593 Z: 18 12.350 1.777 0.676 0.741 0.765 0.529 CB 1.060 18 residues pruned to eliminate duplicates Z: 7 7.609 1.660 0.366 0.834 0.833 0.667 N 1.233 7 residues pruned to eliminate duplicates Z: 9 21.136 1.908 0.979 0.903 1.000 0.750 CB 1.411 9 residues pruned to eliminate duplicates Z: 6 2.622 1.522 0.136 0.382 0.800 0.400 CB 0.961 Z: 10 4.707 1.363 0.439 0.746 1.000 0.556 CB 0.642 10 residues pruned to eliminate duplicates Z: 6 8.203 1.898 0.524 0.847 1.000 1.000 CB 0.942 Z: 13 16.222 1.630 0.823 0.872 0.917 0.833 O 1.253 20 residues pruned to eliminate duplicates Z: 11 2.929 1.561 0.293 0.298 0.600 0.400 CB 0.959 6 0.818 1.464 -0.181 0.117 0.800 0.400 CB 0.618 ? Z: 8 5.303 1.371 0.358 0.627 0.857 0.714 CB 1.115 Z: 6 3.939 1.185 0.978 0.635 1.000 0.600 N 0.663 Z: 21 5.957 1.694 0.472 0.349 0.550 0.400 CB 1.144 9 residues pruned to eliminate duplicates Z: 10 6.266 1.566 0.237 0.829 1.000 0.778 CB 0.812 Z: 11 8.197 1.767 0.520 0.414 0.900 0.700 CB 1.172 11 residues pruned to eliminate duplicates Z: 9 5.421 1.618 0.350 0.699 0.875 0.750 CB 0.836 9 residues pruned to eliminate duplicates Z: 7 4.950 1.734 0.106 0.340 0.833 0.500 CB 1.505 6 1.933 1.184 1.086 0.347 0.400 0.400 N 1.034 ? Z: 11 16.082 1.970 0.979 0.598 0.900 0.700 CB 1.321 8 residues pruned to eliminate duplicates Z: 6 3.615 1.763 -0.128 0.711 0.800 0.800 CB 1.085 Z: 6 5.509 1.459 0.772 0.536 0.800 0.600 O 1.151 Z: 6 3.678 1.660 0.672 0.847 1.000 0.800 CB 0.440 6 residues pruned to eliminate duplicates Z: 10 5.062 1.500 0.552 0.226 0.778 0.444 CB 1.283 10 residues pruned to eliminate duplicates Z: 9 13.208 1.715 0.802 0.861 1.000 0.625 CB 1.110 9 residues pruned to eliminate duplicates Z: 6 3.922 1.852 0.853 0.890 1.000 1.000 CB 0.368 6 residues pruned to eliminate duplicates Z: 9 4.147 1.461 0.197 0.482 0.750 0.500 CB 1.139 10 residues pruned to eliminate duplicates Z: 6 2.160 1.397 0.276 0.381 1.000 0.600 CB 0.615 5 residues pruned to eliminate duplicates Z: 8 3.298 1.404 0.137 0.311 0.857 0.571 CB 1.124 Z: 11 6.329 1.526 0.303 0.536 0.900 0.400 N 1.080 14 residues pruned to eliminate duplicates Z: 6 12.261 1.804 0.455 0.870 1.000 0.600 N 1.524 Z: 10 5.145 1.424 0.577 0.489 0.778 0.556 N 0.993 Z: 14 18.697 1.852 0.523 0.909 1.000 0.846 CB 1.306 14 residues pruned to eliminate duplicates Z: 12 13.141 1.654 0.735 0.853 0.909 0.364 CB 1.123 11 residues pruned to eliminate duplicates Z: 8 6.578 1.656 0.314 0.569 0.857 0.714 CB 1.248 9 residues pruned to eliminate duplicates Z: 6 4.711 1.799 0.125 0.494 1.000 0.600 CB 1.048 6 residues pruned to eliminate duplicates Z: 9 7.696 1.628 0.265 0.866 1.000 1.000 CB 0.968 17 residues pruned to eliminate duplicates Z: 9 6.905 1.440 0.566 0.821 1.000 0.625 CB 0.819 Z: 10 6.115 1.320 0.398 0.852 0.889 0.778 CB 0.919 Z: 7 4.041 1.390 0.358 0.499 0.833 0.667 CB 1.050 7 residues pruned to eliminate duplicates Z: 8 4.565 1.429 0.322 0.472 0.857 0.571 CB 1.097 Z: 24 18.947 1.832 0.729 0.624 0.870 0.696 CB 1.276 25 residues pruned to eliminate duplicates Z: 9 9.732 1.560 0.850 0.679 0.750 0.500 N 1.349 8 residues pruned to eliminate duplicates Z: 7 9.412 1.655 0.862 0.787 1.000 0.833 CB 0.969 7 residues pruned to eliminate duplicates Z: 10 5.531 1.676 0.663 0.262 0.778 0.444 CB 1.116 10 residues pruned to eliminate duplicates Z: 19 13.928 1.832 0.568 0.522 0.889 0.444 CB 1.258 19 residues pruned to eliminate duplicates Z: 6 7.208 1.876 0.158 0.674 1.000 0.800 CB 1.263 Z: 6 5.883 1.605 0.638 0.497 0.800 0.600 CB 1.255 Z: 11 3.572 1.468 0.492 0.259 0.700 0.500 CB 0.970 11 residues pruned to eliminate duplicates Z: 17 14.110 1.759 0.539 0.741 0.812 0.812 O 1.293 17 residues pruned to eliminate duplicates Z: 15 4.859 1.717 0.292 0.426 0.714 0.500 CB 0.885 7 residues pruned to eliminate duplicates Z: 7 8.009 1.553 0.550 0.818 0.833 0.500 CB 1.237 7 residues pruned to eliminate duplicates 6 1.296 1.338 0.539 0.439 0.400 0.400 N 0.750 ? Z: 29 15.922 1.712 0.618 0.536 0.786 0.429 CB 1.334 26 residues pruned to eliminate duplicates Z: 6 3.914 1.528 0.608 0.344 0.800 0.600 CB 1.055 Z: 7 9.883 1.940 0.337 0.847 1.000 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 11 3.296 1.678 0.380 0.278 0.600 0.400 CB 0.964 Z: 8 2.728 1.224 0.395 0.326 0.714 0.286 CB 1.024 Z: 6 2.618 1.510 0.406 0.298 0.600 0.400 N 1.153 Z: 8 5.375 1.581 0.098 0.406 1.000 0.714 CB 1.291 10 residues pruned to eliminate duplicates Z: 12 8.352 1.621 0.250 0.767 1.000 0.727 CB 0.981 10 residues pruned to eliminate duplicates Z: 13 12.423 1.772 0.402 0.885 1.000 0.833 O 1.042 13 residues pruned to eliminate duplicates Z: 6 3.646 1.565 0.453 0.826 1.000 0.800 CB 0.541 Z: 13 8.490 1.578 0.226 0.760 0.917 0.417 CB 1.098 13 residues pruned to eliminate duplicates Z: 7 6.077 1.660 0.673 0.583 0.667 0.667 CB 1.237 Z: 17 15.113 1.812 0.533 0.887 1.000 0.812 CB 0.981 20 residues pruned to eliminate duplicates Z: 6 2.776 1.634 0.292 0.616 1.000 0.800 CB 0.527 Z: 20 10.281 1.793 0.652 0.473 0.737 0.579 CB 1.111 20 residues pruned to eliminate duplicates Z: 13 19.614 1.836 0.805 0.914 0.833 0.667 CB 1.450 13 residues pruned to eliminate duplicates Z: 9 3.627 1.869 0.263 0.911 1.000 0.875 CB 0.385 Z: 21 12.793 1.686 0.455 0.642 0.950 0.700 CB 1.075 22 residues pruned to eliminate duplicates Z: 9 3.092 1.596 0.266 0.308 0.750 0.375 CB 0.893 Z: 18 10.811 1.489 0.889 0.753 0.824 0.471 CB 0.903 12 residues pruned to eliminate duplicates 6 0.999 1.257 -0.068 0.313 0.600 0.400 CB 0.782 ? Z: 23 8.826 1.818 0.566 0.402 0.727 0.455 CB 1.007 26 residues pruned to eliminate duplicates Z: 10 3.596 1.583 0.430 0.339 0.778 0.444 CB 0.812 Z: 26 18.225 1.975 0.571 0.543 0.800 0.480 CB 1.407 26 residues pruned to eliminate duplicates Z: 8 5.129 1.637 0.363 0.766 0.857 0.714 CB 0.800 Z: 10 4.467 1.648 0.574 0.373 0.667 0.444 O 0.986 Z: 13 9.101 1.702 0.633 0.798 1.000 0.667 CB 0.728 13 residues pruned to eliminate duplicates Z: 8 4.187 1.588 0.032 0.422 0.857 0.286 CB 1.221 Z: 8 5.753 1.759 0.165 0.717 0.857 0.714 CB 1.017 Z: 17 7.407 1.580 0.286 0.564 0.750 0.312 CB 1.142 17 residues pruned to eliminate duplicates Z: 7 8.128 1.806 0.097 0.597 1.000 0.667 CB 1.528 Z: 7 8.098 1.526 0.559 0.749 1.000 0.667 CB 1.112 Z: 6 3.852 1.428 0.464 0.574 0.800 0.400 N 0.959 Z: 15 5.476 1.791 0.184 0.185 0.786 0.357 O 1.282 15 residues pruned to eliminate duplicates Z: 10 4.078 1.499 0.632 0.515 0.667 0.444 CB 0.822 10 residues pruned to eliminate duplicates Z: 29 21.492 1.995 0.689 0.620 0.857 0.607 CB 1.255 29 residues pruned to eliminate duplicates Z: 7 3.802 1.775 0.438 0.812 0.833 0.833 CB 0.556 Z: 13 4.548 1.339 0.531 0.412 0.667 0.500 O 1.054 Z: 10 2.610 1.507 0.098 0.359 0.778 0.444 CB 0.787 10 residues pruned to eliminate duplicates Z: 11 9.142 1.736 0.373 0.408 0.900 0.600 CB 1.485 11 residues pruned to eliminate duplicates Z: 8 3.278 1.215 0.952 0.318 0.857 0.571 CB 0.745 Z: 13 15.364 1.755 0.562 0.907 1.000 0.917 CB 1.151 13 residues pruned to eliminate duplicates 6 1.818 1.464 0.192 0.265 1.000 0.400 CB 0.609 ? Z: 19 12.761 1.511 0.534 0.827 0.944 0.833 CB 1.035 14 residues pruned to eliminate duplicates Z: 10 2.631 1.319 0.450 0.238 0.667 0.444 N 0.932 Z: 10 2.985 1.611 0.309 0.296 0.556 0.556 CB 1.067 Z: 9 5.171 1.534 0.505 0.675 0.750 0.500 CB 0.898 8 residues pruned to eliminate duplicates Z: 9 10.615 1.727 0.356 0.889 1.000 0.875 CB 1.154 9 residues pruned to eliminate duplicates Z: 30 13.570 1.813 0.536 0.375 0.793 0.448 CB 1.304 37 residues pruned to eliminate duplicates Z: 9 6.102 1.684 0.818 0.319 0.875 0.375 CB 0.984 Z: 9 5.722 1.563 0.381 0.715 0.750 0.500 CB 1.029 9 residues pruned to eliminate duplicates Z: 6 2.961 1.440 0.433 0.407 0.600 0.400 CB 1.180 Z: 6 4.093 1.676 0.203 0.641 0.800 0.800 CB 0.994 Z: 14 26.564 1.990 1.021 0.911 1.000 0.692 CB 1.298 15 residues pruned to eliminate duplicates 7 1.804 1.392 0.246 0.378 0.667 0.333 CB 0.726 ? Z: 6 12.096 1.829 1.038 0.802 0.800 0.800 N 1.393 6 residues pruned to eliminate duplicates Z: 14 13.600 1.663 0.806 0.593 0.846 0.538 CB 1.357 23 residues pruned to eliminate duplicates Z: 6 6.608 1.446 1.250 0.655 0.800 0.600 CB 0.983 Z: 6 5.602 1.437 0.531 0.845 1.000 0.600 O 0.847 Z: 10 8.210 1.686 0.443 0.434 1.000 0.444 CB 1.204 Z: 16 11.352 1.543 0.630 0.746 0.933 0.667 CB 1.002 16 residues pruned to eliminate duplicates Z: 6 2.445 1.520 -0.227 0.369 1.000 0.400 CB 1.070 Z: 11 6.191 1.433 0.540 0.580 0.900 0.500 CB 0.913 18 residues pruned to eliminate duplicates Z: 8 7.678 1.550 0.443 0.867 1.000 0.857 CB 0.949 8 residues pruned to eliminate duplicates Z: 10 9.715 1.751 0.392 0.694 0.889 0.778 CB 1.252 10 residues pruned to eliminate duplicates Z: 13 6.334 1.394 0.683 0.362 0.917 0.500 N 0.986 Z: 9 5.555 1.711 -0.006 0.823 0.875 0.625 O 0.997 8 residues pruned to eliminate duplicates Z: 6 2.953 1.515 0.597 0.282 0.600 0.400 N 1.164 Z: 7 6.013 1.616 0.071 0.729 1.000 0.667 CB 1.155 Z: 14 7.025 1.761 0.314 0.478 0.769 0.615 CB 1.120 13 residues pruned to eliminate duplicates Z: 6 10.181 1.528 1.145 0.804 1.000 0.400 CB 1.065 6 residues pruned to eliminate duplicates Z: 12 15.961 1.719 0.923 0.838 0.909 0.727 N 1.197 13 residues pruned to eliminate duplicates Z: 7 9.277 1.930 0.364 0.600 1.000 0.500 CB 1.308 Z: 8 4.754 1.497 0.705 0.715 0.857 0.714 CB 0.676 8 residues pruned to eliminate duplicates 6 1.654 1.260 0.025 0.252 0.800 0.400 N 0.952 ? Z: 10 7.952 1.804 0.432 0.809 0.667 0.222 CB 1.177 10 residues pruned to eliminate duplicates Z: 10 8.442 1.602 0.383 0.640 0.889 0.556 CB 1.254 18 residues pruned to eliminate duplicates Z: 7 2.785 1.254 0.526 0.500 0.833 0.333 CB 0.713 Z: 11 3.791 1.515 0.381 0.391 0.600 0.400 CB 1.071 Z: 6 2.681 1.370 0.108 0.501 1.000 0.800 CB 0.789 Z: 6 6.316 1.721 0.682 0.455 0.800 0.600 CB 1.277 Z: 12 15.271 1.925 0.543 0.793 0.909 0.909 CB 1.318 12 residues pruned to eliminate duplicates Z: 18 3.525 1.517 0.612 0.168 0.529 0.176 CB 0.989 Z: 21 25.269 1.885 0.595 0.901 1.000 0.850 CB 1.341 21 residues pruned to eliminate duplicates Z: 16 11.993 1.769 0.542 0.879 0.933 0.933 CB 0.882 16 residues pruned to eliminate duplicates Z: 8 7.880 1.632 0.376 0.618 1.000 0.571 CB 1.186 8 residues pruned to eliminate duplicates Z: 13 7.945 1.831 0.626 0.482 0.833 0.583 CB 0.941 13 residues pruned to eliminate duplicates Z: 8 3.824 1.609 0.327 0.281 0.857 0.429 CB 1.010 Z: 6 8.370 1.575 0.717 0.812 1.000 0.800 N 1.054 Z: 17 14.033 1.874 0.808 0.726 0.875 0.625 CB 0.965 17 residues pruned to eliminate duplicates 8 1.865 1.557 0.002 0.247 0.571 0.571 CB 1.058 ? Z: 8 2.210 1.514 0.499 0.172 0.571 0.286 CB 0.959 8 residues pruned to eliminate duplicates Z: 14 4.250 1.596 0.412 0.202 0.769 0.538 N 0.969 Z: 17 7.253 1.400 0.650 0.850 0.812 0.625 CB 0.716 17 residues pruned to eliminate duplicates Z: 6 4.979 1.601 0.471 0.374 0.800 0.600 N 1.353 Z: 20 9.918 1.657 0.566 0.456 0.789 0.526 CB 1.162 20 residues pruned to eliminate duplicates Z: 10 11.605 1.607 0.458 0.860 1.000 0.778 CB 1.213 10 residues pruned to eliminate duplicates Z: 6 2.547 1.363 0.557 0.456 0.800 0.400 N 0.701 Z: 7 4.151 1.292 0.538 0.471 1.000 0.500 CB 0.878 Z: 11 7.433 1.498 0.738 0.904 0.900 0.400 CB 0.714 8 residues pruned to eliminate duplicates Z: 7 3.420 1.415 0.160 0.611 1.000 1.000 CB 0.765 Z: 7 5.595 1.308 0.952 0.656 0.833 0.333 O 0.928 Z: 10 5.136 1.548 0.206 0.545 0.778 0.667 CB 1.129 9 residues pruned to eliminate duplicates Z: 10 8.663 1.542 0.617 0.738 0.778 0.556 CB 1.203 10 residues pruned to eliminate duplicates Z: 6 2.221 1.362 0.136 0.298 0.800 0.200 O 1.006 Z: 8 11.065 1.742 0.323 0.836 1.000 0.714 O 1.359 Z: 10 3.655 1.629 0.027 0.283 0.889 0.556 CB 1.046 6 residues pruned to eliminate duplicates Z: 12 3.880 1.382 0.091 0.288 0.909 0.455 CB 1.082 12 residues pruned to eliminate duplicates Z: 19 6.149 1.486 0.251 0.335 0.833 0.389 CB 1.120 Z: 8 3.496 1.734 -0.005 0.386 0.571 0.571 CB 1.512 Z: 14 14.939 1.821 0.565 0.899 0.923 0.769 O 1.126 14 residues pruned to eliminate duplicates Z: 11 5.909 1.509 0.733 0.545 0.700 0.700 CB 0.977 11 residues pruned to eliminate duplicates Z: 7 7.828 1.753 0.330 0.783 0.833 0.333 O 1.283 7 residues pruned to eliminate duplicates Z: 8 4.550 1.452 0.675 0.800 0.857 0.714 CB 0.635 8 residues pruned to eliminate duplicates Z: 11 3.178 1.506 0.325 0.421 0.700 0.300 CB 0.781 Z: 10 3.841 1.324 0.235 0.353 0.889 0.556 CB 1.033 Z: 7 4.389 1.644 0.220 0.382 0.833 0.667 N 1.215 Z: 6 2.968 1.356 -0.121 0.597 1.000 0.600 CB 1.015 Z: 6 4.612 1.573 0.377 0.371 0.800 0.400 CA 1.367 5 residues pruned to eliminate duplicates Z: 11 9.793 1.677 0.382 0.860 0.900 0.800 CB 1.092 11 residues pruned to eliminate duplicates Z: 9 10.130 1.896 0.426 0.513 0.875 0.500 CB 1.495 6 residues pruned to eliminate duplicates Z: 7 2.097 1.614 0.308 0.567 0.667 0.333 CB 0.570 Z: 7 3.994 1.480 0.920 0.253 0.667 0.333 N 1.144 Z: 6 2.896 1.477 0.377 0.286 1.000 0.600 CB 0.811 Z: 10 3.795 1.510 0.557 0.329 0.778 0.556 CB 0.835 Z: 8 3.291 1.244 0.593 0.303 0.857 0.429 CB 0.912 Z: 12 5.901 1.752 0.326 0.362 0.818 0.636 CB 1.085 12 residues pruned to eliminate duplicates Z: 7 3.999 1.258 0.367 0.467 0.833 0.500 CA 1.177 Z: 7 5.980 1.907 0.419 0.880 1.000 1.000 CB 0.654 6 residues pruned to eliminate duplicates Z: 7 4.808 1.559 0.424 0.460 1.000 0.500 CB 0.921 8 residues pruned to eliminate duplicates 7 1.422 1.304 0.080 0.332 0.833 0.333 N 0.594 ? Z: 6 2.949 1.465 0.525 0.447 0.600 0.200 N 1.039 Z: 13 15.554 1.832 0.629 0.601 0.917 0.500 CB 1.490 13 residues pruned to eliminate duplicates Z: 11 7.658 1.792 0.391 0.842 0.800 0.700 CB 0.905 11 residues pruned to eliminate duplicates Z: 6 2.133 1.873 0.169 0.459 0.800 0.600 CB 0.568 Using tripeptides from previous cycle as seeds Z: 17 23.263 1.829 0.842 0.833 0.938 0.688 N 1.382 26 residues pruned to eliminate duplicates Z: 17 19.384 1.809 0.538 0.796 0.938 0.625 O 1.433 17 residues pruned to eliminate duplicates Z: 30 16.050 1.785 0.446 0.509 0.966 0.621 CB 1.185 22 residues pruned to eliminate duplicates Z: 17 15.872 1.788 0.416 0.800 0.938 0.562 CB 1.286 17 residues pruned to eliminate duplicates Z: 20 19.846 1.962 0.624 0.645 1.000 0.684 CB 1.248 19 residues pruned to eliminate duplicates Z: 15 22.186 1.791 0.919 0.848 0.929 0.786 N 1.378 22 residues pruned to eliminate duplicates Z: 17 22.859 1.826 0.772 0.813 0.938 0.812 CB 1.434 17 residues pruned to eliminate duplicates Z: 26 10.776 1.766 0.335 0.433 0.800 0.400 CB 1.225 26 residues pruned to eliminate duplicates Z: 20 17.123 1.900 0.590 0.640 0.947 0.421 CB 1.203 20 residues pruned to eliminate duplicates Z: 21 18.405 1.953 0.671 0.639 0.850 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 26 16.831 1.845 0.669 0.512 0.880 0.520 CB 1.227 26 residues pruned to eliminate duplicates Z: 20 18.375 1.915 0.642 0.599 0.947 0.474 CB 1.287 20 residues pruned to eliminate duplicates Z: 29 13.511 1.849 0.555 0.447 0.750 0.464 CB 1.250 29 residues pruned to eliminate duplicates Z: 28 17.782 1.847 0.537 0.553 0.889 0.444 CB 1.288 28 residues pruned to eliminate duplicates Z: 30 18.600 1.792 0.741 0.473 0.897 0.586 CB 1.270 30 residues pruned to eliminate duplicates Z: 16 19.556 1.903 0.765 0.808 0.867 0.600 CB 1.326 16 residues pruned to eliminate duplicates Z: 17 17.427 1.893 0.731 0.650 0.875 0.500 CB 1.322 17 residues pruned to eliminate duplicates Z: 15 19.191 1.939 0.757 0.682 0.929 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 19 12.878 1.848 0.551 0.590 0.833 0.556 CB 1.166 19 residues pruned to eliminate duplicates Z: 15 16.989 1.891 0.801 0.644 0.786 0.571 CB 1.483 15 residues pruned to eliminate duplicates Z: 26 17.935 1.873 0.590 0.625 0.800 0.440 CB 1.338 26 residues pruned to eliminate duplicates Z: 18 14.070 1.893 0.752 0.455 0.765 0.471 CB 1.409 18 residues pruned to eliminate duplicates Z: 17 15.925 1.862 0.750 0.660 0.812 0.500 CB 1.296 17 residues pruned to eliminate duplicates Z: 11 14.596 1.946 0.973 0.693 0.700 0.500 CB 1.440 11 residues pruned to eliminate duplicates Z: 28 19.488 1.866 0.842 0.482 0.852 0.407 CB 1.305 25 residues pruned to eliminate duplicates Z: 16 16.762 1.797 0.902 0.693 0.733 0.400 CB 1.448 16 residues pruned to eliminate duplicates Z: 28 15.472 1.806 0.758 0.510 0.778 0.370 CB 1.193 28 residues pruned to eliminate duplicates Z: 12 16.331 1.899 0.796 0.680 0.909 0.182 CB 1.347 12 residues pruned to eliminate duplicates Z: 11 21.895 1.962 0.845 0.788 1.000 0.800 CB 1.485 11 residues pruned to eliminate duplicates Z: 6 4.746 1.691 0.219 0.614 0.800 0.600 CB 1.155 Z: 8 2.827 1.243 0.460 0.337 0.714 0.286 CB 0.985 Z: 13 10.401 1.655 0.562 0.826 0.833 0.667 CB 1.051 12 residues pruned to eliminate duplicates Z: 17 13.466 1.595 0.502 0.884 0.938 0.562 CB 1.083 17 residues pruned to eliminate duplicates Z: 13 12.041 1.762 0.509 0.859 1.000 0.917 CB 0.962 15 residues pruned to eliminate duplicates Z: 16 11.919 1.634 0.434 0.838 1.000 0.867 CB 0.982 14 residues pruned to eliminate duplicates Z: 15 11.994 1.758 0.469 0.839 0.929 0.714 CB 0.998 15 residues pruned to eliminate duplicates Z: 12 9.740 1.868 0.300 0.602 0.727 0.545 CB 1.510 12 residues pruned to eliminate duplicates Z: 15 6.834 1.688 0.352 0.520 0.643 0.286 CB 1.220 15 residues pruned to eliminate duplicates Z: 13 8.516 1.826 0.292 0.573 0.750 0.333 CB 1.295 13 residues pruned to eliminate duplicates Z: 17 9.095 1.738 0.391 0.612 0.812 0.562 CB 1.041 17 residues pruned to eliminate duplicates Z: 14 10.046 1.765 0.505 0.688 0.769 0.538 CB 1.148 14 residues pruned to eliminate duplicates Z: 16 10.802 1.847 0.440 0.676 0.733 0.600 CB 1.216 21 residues pruned to eliminate duplicates Z: 18 8.714 1.661 0.321 0.696 0.765 0.471 CB 1.053 18 residues pruned to eliminate duplicates Z: 8 7.600 1.752 0.225 0.509 1.000 0.571 CB 1.326 6 residues pruned to eliminate duplicates Z: 9 13.787 1.901 0.456 0.860 1.000 0.875 CB 1.295 13 residues pruned to eliminate duplicates Z: 7 7.694 1.729 0.360 0.833 1.000 1.000 CB 1.002 7 residues pruned to eliminate duplicates Z: 11 8.837 1.929 0.588 0.583 0.800 0.600 CB 1.053 11 residues pruned to eliminate duplicates Z: 31 17.300 1.756 0.538 0.541 0.833 0.500 CB 1.349 34 residues pruned to eliminate duplicates Z: 8 10.864 1.937 0.737 0.854 1.000 0.857 CB 0.902 8 residues pruned to eliminate duplicates Z: 22 11.764 1.744 0.396 0.466 0.762 0.333 CB 1.433 16 residues pruned to eliminate duplicates Z: 15 17.047 1.821 0.698 0.834 0.857 0.643 O 1.289 15 residues pruned to eliminate duplicates Z: 11 10.242 1.805 0.612 0.560 0.800 0.600 CB 1.313 11 residues pruned to eliminate duplicates Z: 10 11.452 1.881 0.494 0.665 0.778 0.222 N 1.499 10 residues pruned to eliminate duplicates Z: 14 15.241 1.854 0.473 0.906 0.923 0.846 CB 1.192 14 residues pruned to eliminate duplicates Z: 21 18.209 1.919 0.687 0.680 0.900 0.600 CB 1.185 21 residues pruned to eliminate duplicates Z: 26 20.811 1.853 0.639 0.698 0.840 0.600 O 1.361 41 residues pruned to eliminate duplicates Z: 15 21.937 1.891 0.662 0.868 1.000 0.857 CB 1.364 15 residues pruned to eliminate duplicates Z: 16 19.317 1.861 0.701 0.723 0.867 0.600 CB 1.487 16 residues pruned to eliminate duplicates Z: 31 17.828 1.837 0.626 0.589 0.767 0.667 CB 1.305 31 residues pruned to eliminate duplicates Z: 13 21.222 1.884 0.813 0.899 0.917 0.750 CB 1.399 13 residues pruned to eliminate duplicates Z: 18 15.585 1.832 0.682 0.739 0.882 0.706 CB 1.122 18 residues pruned to eliminate duplicates Z: 14 12.190 1.910 0.648 0.595 0.923 0.692 CB 1.062 14 residues pruned to eliminate duplicates Z: 12 8.615 1.708 0.639 0.328 0.818 0.273 N 1.370 9 residues pruned to eliminate duplicates Z: 16 24.399 1.909 1.047 0.932 1.000 0.667 CB 1.126 15 residues pruned to eliminate duplicates Z: 15 22.956 1.945 0.870 0.889 0.929 0.643 CB 1.307 15 residues pruned to eliminate duplicates Z: 16 25.880 1.906 1.140 0.729 0.933 0.533 CB 1.428 16 residues pruned to eliminate duplicates Z: 9 10.405 1.828 0.781 0.668 0.750 0.500 CB 1.290 9 residues pruned to eliminate duplicates Z: 17 20.952 1.871 0.934 0.788 0.875 0.500 CB 1.285 17 residues pruned to eliminate duplicates Z: 21 22.877 1.812 0.855 0.649 1.000 0.650 N 1.324 21 residues pruned to eliminate duplicates Z: 16 27.755 1.903 1.144 0.793 1.000 0.400 CB 1.358 18 residues pruned to eliminate duplicates Z: 15 31.033 1.970 1.185 0.924 1.000 0.857 CB 1.354 16 residues pruned to eliminate duplicates Z: 17 26.291 1.886 0.930 0.921 1.000 0.812 CB 1.271 17 residues pruned to eliminate duplicates Z: 20 20.527 1.851 0.985 0.683 0.895 0.632 CB 1.211 18 residues pruned to eliminate duplicates Z: 15 25.383 1.889 1.003 0.817 0.929 0.500 CB 1.466 15 residues pruned to eliminate duplicates Z: 29 28.813 1.871 0.935 0.700 0.893 0.643 CB 1.403 31 residues pruned to eliminate duplicates Z: 11 13.254 1.760 0.482 0.821 1.000 0.800 CB 1.216 10 residues pruned to eliminate duplicates Z: 9 6.621 1.709 0.282 0.709 0.750 0.750 CB 1.179 9 residues pruned to eliminate duplicates Z: 14 12.338 1.659 0.448 0.617 0.923 0.615 CB 1.382 14 residues pruned to eliminate duplicates Z: 12 8.208 1.723 0.368 0.526 0.818 0.364 CB 1.251 12 residues pruned to eliminate duplicates Z: 14 11.048 1.592 0.511 0.636 0.923 0.769 CB 1.215 14 residues pruned to eliminate duplicates Z: 11 10.673 1.803 0.605 0.703 0.800 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 19 9.103 1.600 0.299 0.515 0.833 0.444 CB 1.221 19 residues pruned to eliminate duplicates Z: 15 10.700 1.603 0.698 0.688 0.714 0.571 CB 1.238 15 residues pruned to eliminate duplicates Z: 17 8.411 1.656 0.464 0.334 0.875 0.312 CB 1.188 12 residues pruned to eliminate duplicates Z: 13 18.150 1.833 0.842 0.892 0.917 0.667 CB 1.217 13 residues pruned to eliminate duplicates Z: 9 10.943 1.832 0.691 0.601 0.875 0.250 N 1.295 20 residues pruned to eliminate duplicates Z: 11 8.627 1.781 0.578 0.562 0.800 0.500 CB 1.142 11 residues pruned to eliminate duplicates Z: 15 15.307 1.730 0.697 0.656 0.857 0.643 CB 1.407 15 residues pruned to eliminate duplicates Z: 16 13.425 1.850 0.537 0.573 0.867 0.400 CB 1.311 20 residues pruned to eliminate duplicates Z: 14 18.397 1.836 0.695 0.878 1.000 0.846 CB 1.189 14 residues pruned to eliminate duplicates Z: 14 16.996 1.800 0.685 0.912 0.846 0.615 CB 1.301 14 residues pruned to eliminate duplicates Z: 14 12.484 1.829 0.702 0.703 0.769 0.538 CB 1.201 14 residues pruned to eliminate duplicates Z: 31 20.260 1.747 0.729 0.615 0.900 0.533 CB 1.220 31 residues pruned to eliminate duplicates Z: 20 13.204 1.766 0.708 0.582 0.789 0.579 CB 1.175 20 residues pruned to eliminate duplicates Z: 13 9.069 1.721 0.659 0.562 0.833 0.500 N 1.036 8 residues pruned to eliminate duplicates Z: 7 7.579 1.856 0.253 0.715 0.833 0.667 CB 1.314 7 residues pruned to eliminate duplicates Z: 23 7.814 1.752 0.303 0.347 0.773 0.409 CB 1.115 18 residues pruned to eliminate duplicates Z: 9 11.154 1.915 0.254 0.837 0.875 0.750 CB 1.403 9 residues pruned to eliminate duplicates Z: 7 7.620 1.976 -0.008 0.829 1.000 0.833 CB 1.193 7 residues pruned to eliminate duplicates Z: 13 5.152 1.846 0.061 0.476 0.833 0.500 CB 0.933 23 residues pruned to eliminate duplicates Z: 7 10.629 1.948 0.142 0.869 1.000 1.000 CB 1.425 7 residues pruned to eliminate duplicates Z: 10 6.449 1.695 0.405 0.620 0.667 0.556 CB 1.209 Z: 6 10.509 1.848 0.937 0.682 0.800 0.400 CB 1.389 8 residues pruned to eliminate duplicates Z: 7 6.267 1.821 0.260 0.590 0.667 0.500 N 1.534 7 residues pruned to eliminate duplicates Z: 6 8.633 1.817 0.663 0.597 0.800 0.600 O 1.456 6 residues pruned to eliminate duplicates Z: 9 6.676 1.820 0.453 0.557 0.875 0.750 CB 0.965 9 residues pruned to eliminate duplicates Z: 22 14.775 1.777 0.555 0.587 0.857 0.476 CB 1.253 20 residues pruned to eliminate duplicates Z: 14 11.450 1.704 0.447 0.815 0.923 0.769 CB 1.062 14 residues pruned to eliminate duplicates Z: 11 15.157 1.898 0.541 0.900 1.000 1.000 CB 1.170 10 residues pruned to eliminate duplicates Z: 12 13.482 1.796 0.470 0.880 1.000 0.727 CB 1.116 11 residues pruned to eliminate duplicates Z: 14 15.002 1.720 0.529 0.813 1.000 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 13 11.806 1.844 0.510 0.721 0.917 0.667 CB 1.093 13 residues pruned to eliminate duplicates Z: 12 12.716 1.874 0.333 0.801 0.909 0.818 CB 1.298 14 residues pruned to eliminate duplicates Z: 12 18.965 1.793 0.625 0.836 1.000 0.636 CB 1.469 12 residues pruned to eliminate duplicates Z: 13 12.037 1.838 0.578 0.679 0.833 0.667 CB 1.219 13 residues pruned to eliminate duplicates Z: 14 13.756 1.737 0.537 0.811 0.923 0.769 CB 1.180 12 residues pruned to eliminate duplicates Z: 9 13.111 1.743 0.524 0.855 1.000 0.750 CB 1.288 18 residues pruned to eliminate duplicates Z: 15 12.344 1.702 0.350 0.834 0.857 0.857 CB 1.256 14 residues pruned to eliminate duplicates Z: 11 11.791 1.791 0.334 0.863 0.900 0.700 CB 1.272 11 residues pruned to eliminate duplicates Z: 10 12.373 1.800 0.300 0.848 1.000 0.667 CB 1.307 10 residues pruned to eliminate duplicates Z: 12 13.825 1.806 0.329 0.868 0.909 0.636 O 1.396 12 residues pruned to eliminate duplicates Z: 11 8.469 1.726 0.285 0.592 0.900 0.500 CB 1.229 11 residues pruned to eliminate duplicates Z: 21 10.158 1.660 0.419 0.406 0.850 0.400 CB 1.252 15 residues pruned to eliminate duplicates Z: 10 16.843 1.769 0.782 0.781 1.000 0.667 O 1.390 10 residues pruned to eliminate duplicates Z: 14 14.484 1.738 0.422 0.738 0.923 0.538 CB 1.422 20 residues pruned to eliminate duplicates Z: 9 13.828 1.785 0.626 0.825 0.875 0.750 O 1.452 9 residues pruned to eliminate duplicates Z: 17 15.165 1.789 0.517 0.800 0.812 0.500 CB 1.323 17 residues pruned to eliminate duplicates Z: 18 17.060 1.768 0.695 0.781 0.882 0.412 CB 1.221 18 residues pruned to eliminate duplicates Z: 27 11.235 1.735 0.453 0.562 0.808 0.385 CB 1.018 25 residues pruned to eliminate duplicates Z: 15 17.609 1.843 0.567 0.850 0.929 0.500 CB 1.300 15 residues pruned to eliminate duplicates Z: 17 9.190 1.668 0.645 0.411 0.750 0.562 CB 1.224 15 residues pruned to eliminate duplicates Z: 10 11.368 1.729 0.834 0.831 0.889 0.667 CB 1.010 10 residues pruned to eliminate duplicates Z: 9 10.086 1.749 0.779 0.671 0.750 0.375 CB 1.305 9 residues pruned to eliminate duplicates Z: 14 16.360 1.727 0.900 0.749 0.923 0.692 CB 1.200 23 residues pruned to eliminate duplicates Z: 12 10.902 1.714 0.935 0.753 0.727 0.455 CB 1.088 12 residues pruned to eliminate duplicates Z: 11 8.029 1.668 0.734 0.715 0.800 0.700 CB 0.903 11 residues pruned to eliminate duplicates Z: 11 7.085 1.693 0.577 0.668 0.600 0.300 CB 1.197 11 residues pruned to eliminate duplicates Z: 7 5.122 1.349 0.628 0.403 1.000 0.333 O 1.055 7 residues pruned to eliminate duplicates Z: 15 14.880 1.722 0.761 0.605 0.929 0.429 CB 1.278 15 residues pruned to eliminate duplicates Z: 18 10.489 1.624 0.872 0.512 0.706 0.471 CB 1.171 18 residues pruned to eliminate duplicates Z: 10 5.018 1.720 0.540 0.651 0.778 0.444 CB 0.706 10 residues pruned to eliminate duplicates Z: 27 11.589 1.863 0.369 0.437 0.846 0.346 CB 1.125 36 residues pruned to eliminate duplicates Z: 13 7.510 1.644 0.622 0.804 0.750 0.250 CB 0.831 13 residues pruned to eliminate duplicates Z: 30 13.157 1.814 0.527 0.482 0.793 0.517 CB 1.133 28 residues pruned to eliminate duplicates Z: 10 11.920 1.758 0.828 0.841 0.889 0.444 CB 1.038 10 residues pruned to eliminate duplicates Z: 10 6.334 1.727 0.729 0.870 0.778 0.444 CB 0.663 10 residues pruned to eliminate duplicates Z: 16 6.530 1.577 0.460 0.444 0.867 0.400 CB 0.895 12 residues pruned to eliminate duplicates Z: 10 10.291 1.880 0.317 0.740 1.000 0.889 CB 1.117 10 residues pruned to eliminate duplicates Z: 25 12.733 1.688 0.535 0.453 0.833 0.417 CB 1.264 29 residues pruned to eliminate duplicates Z: 7 9.200 1.734 0.559 0.777 0.833 0.667 N 1.306 7 residues pruned to eliminate duplicates Z: 27 17.393 1.731 0.699 0.583 0.846 0.577 CB 1.266 27 residues pruned to eliminate duplicates Z: 6 3.901 1.699 0.166 0.581 0.600 0.200 CB 1.358 6 residues pruned to eliminate duplicates Z: 12 5.592 1.704 0.102 0.486 0.727 0.455 N 1.252 12 residues pruned to eliminate duplicates Z: 9 11.037 1.813 0.635 0.617 0.875 0.500 N 1.347 9 residues pruned to eliminate duplicates Z: 11 8.817 1.740 0.728 0.558 0.700 0.600 N 1.252 11 residues pruned to eliminate duplicates Z: 14 9.032 1.749 0.467 0.629 0.769 0.615 CB 1.124 14 residues pruned to eliminate duplicates Z: 10 9.578 1.824 0.912 0.814 0.889 0.667 CB 0.784 10 residues pruned to eliminate duplicates Z: 11 9.488 1.672 0.940 0.752 0.800 0.400 CB 0.924 11 residues pruned to eliminate duplicates Z: 9 17.345 1.938 1.069 0.915 1.000 0.625 CB 1.081 9 residues pruned to eliminate duplicates Z: 13 17.813 1.925 0.815 0.911 0.917 0.583 CB 1.137 13 residues pruned to eliminate duplicates Z: 9 15.458 1.953 0.951 0.894 1.000 0.625 CB 1.028 9 residues pruned to eliminate duplicates Z: 9 14.812 1.957 1.043 0.771 1.000 0.750 CB 1.030 9 residues pruned to eliminate duplicates Z: 9 10.358 1.935 0.793 0.829 0.750 0.500 CB 1.059 9 residues pruned to eliminate duplicates Z: 17 12.268 1.833 0.697 0.785 0.750 0.625 CB 1.023 17 residues pruned to eliminate duplicates Z: 17 10.589 1.764 0.822 0.587 0.812 0.625 CB 0.933 17 residues pruned to eliminate duplicates Z: 12 8.234 1.814 0.483 0.579 0.818 0.545 CB 1.045 12 residues pruned to eliminate duplicates Z: 13 10.710 1.929 0.712 0.524 0.833 0.500 CB 1.098 13 residues pruned to eliminate duplicates Z: 13 8.770 1.931 0.601 0.508 0.667 0.417 CB 1.219 13 residues pruned to eliminate duplicates Z: 15 9.155 1.961 0.490 0.461 0.714 0.500 CB 1.220 15 residues pruned to eliminate duplicates Z: 19 11.033 2.001 0.407 0.411 0.833 0.333 CB 1.216 14 residues pruned to eliminate duplicates Z: 9 13.104 1.938 0.678 0.854 0.750 0.375 CB 1.403 9 residues pruned to eliminate duplicates Z: 9 6.874 1.896 0.454 0.635 0.625 0.375 CB 1.243 9 residues pruned to eliminate duplicates Z: 11 11.811 1.782 0.623 0.642 0.900 0.500 CB 1.257 11 residues pruned to eliminate duplicates Z: 7 3.483 1.598 0.553 0.378 0.667 0.500 N 0.978 6 1.968 1.562 0.482 0.455 0.600 0.000 N 0.663 ? Z: 7 3.394 1.574 0.512 0.448 0.667 0.167 N 0.921 7 residues pruned to eliminate duplicates Z: 6 2.025 1.479 0.473 0.423 0.400 0.400 CB 1.127 6 residues pruned to eliminate duplicates Z: 13 6.279 1.662 0.285 0.384 0.833 0.583 CB 1.152 12 residues pruned to eliminate duplicates Z: 14 11.389 1.644 0.707 0.627 1.000 0.692 CB 0.998 14 residues pruned to eliminate duplicates Z: 16 18.369 1.777 0.700 0.753 0.933 0.667 N 1.342 16 residues pruned to eliminate duplicates Z: 13 16.569 1.848 0.680 0.803 0.917 0.667 O 1.290 13 residues pruned to eliminate duplicates Z: 18 14.541 1.787 0.506 0.618 0.824 0.529 N 1.423 13 residues pruned to eliminate duplicates Z: 15 22.371 1.820 0.721 0.858 1.000 0.643 CB 1.406 19 residues pruned to eliminate duplicates Z: 14 21.105 1.945 0.650 0.840 0.923 0.769 CB 1.474 15 residues pruned to eliminate duplicates Z: 14 23.436 1.897 0.660 0.828 1.000 0.769 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 20.477 1.931 0.631 0.887 0.923 0.769 CB 1.408 14 residues pruned to eliminate duplicates Z: 17 14.434 1.864 0.538 0.611 0.875 0.688 CB 1.294 17 residues pruned to eliminate duplicates Z: 18 14.977 1.825 0.477 0.585 0.882 0.588 CB 1.408 18 residues pruned to eliminate duplicates Z: 15 23.840 1.828 0.951 0.768 0.929 0.786 CB 1.517 15 residues pruned to eliminate duplicates Z: 15 20.776 1.845 0.785 0.828 0.857 0.714 O 1.482 15 residues pruned to eliminate duplicates Z: 25 17.481 1.775 0.655 0.538 0.833 0.542 CB 1.404 17 residues pruned to eliminate duplicates Z: 14 27.317 1.894 0.815 0.911 1.000 0.846 O 1.562 14 residues pruned to eliminate duplicates Z: 16 24.169 1.877 0.730 0.854 0.933 0.667 O 1.521 16 residues pruned to eliminate duplicates Z: 9 6.271 1.686 0.298 0.687 0.750 0.500 CB 1.138 9 residues pruned to eliminate duplicates Z: 11 7.868 1.664 0.253 0.607 0.800 0.500 CB 1.348 11 residues pruned to eliminate duplicates Z: 12 8.918 1.590 0.714 0.713 0.727 0.545 O 1.118 12 residues pruned to eliminate duplicates Z: 7 5.436 1.685 0.298 0.620 0.833 0.333 O 1.087 7 residues pruned to eliminate duplicates Z: 7 8.399 1.720 0.527 0.653 0.833 0.667 O 1.359 7 residues pruned to eliminate duplicates Z: 7 8.166 1.660 0.772 0.741 0.667 0.500 N 1.370 7 residues pruned to eliminate duplicates Z: 8 7.457 1.548 0.930 0.573 0.714 0.286 N 1.231 8 residues pruned to eliminate duplicates Z: 18 10.034 1.763 0.620 0.472 0.765 0.647 CB 1.146 18 residues pruned to eliminate duplicates Z: 13 11.600 1.748 0.519 0.717 0.917 0.750 CB 1.130 13 residues pruned to eliminate duplicates Z: 19 18.183 1.923 0.677 0.643 0.889 0.611 CB 1.308 20 residues pruned to eliminate duplicates Z: 13 14.355 1.739 0.749 0.834 0.917 0.750 CB 1.114 13 residues pruned to eliminate duplicates Z: 10 16.481 1.844 0.600 0.874 1.000 0.667 CB 1.355 10 residues pruned to eliminate duplicates Z: 11 13.407 1.588 0.723 0.730 1.000 0.700 CB 1.259 11 residues pruned to eliminate duplicates Z: 12 14.188 1.722 0.828 0.723 0.818 0.818 CB 1.357 12 residues pruned to eliminate duplicates Z: 11 17.071 1.832 0.906 0.829 0.800 0.800 CB 1.454 11 residues pruned to eliminate duplicates Z: 12 15.970 1.739 0.787 0.743 0.909 0.727 CB 1.371 12 residues pruned to eliminate duplicates Z: 8 2.517 1.656 0.409 0.308 0.857 0.429 CB 0.589 8 residues pruned to eliminate duplicates Z: 12 7.126 1.754 0.438 0.304 0.818 0.364 CB 1.294 7 residues pruned to eliminate duplicates Z: 13 13.368 1.827 0.676 0.799 0.917 0.833 CB 1.058 12 residues pruned to eliminate duplicates Z: 11 12.607 1.822 0.793 0.769 0.900 0.700 CB 1.069 11 residues pruned to eliminate duplicates Z: 11 7.557 1.897 0.770 0.527 0.700 0.400 CB 0.990 11 residues pruned to eliminate duplicates Z: 11 4.052 1.709 1.006 0.439 0.600 0.400 CB 0.664 11 residues pruned to eliminate duplicates Z: 18 8.944 1.808 0.615 0.407 0.765 0.412 CB 1.070 8 residues pruned to eliminate duplicates Z: 10 7.398 1.882 0.662 0.653 0.778 0.556 CB 0.879 10 residues pruned to eliminate duplicates Z: 14 6.866 1.888 0.587 0.436 0.692 0.538 CB 0.981 14 residues pruned to eliminate duplicates Z: 15 8.942 1.974 0.540 0.385 0.643 0.500 CB 1.383 15 residues pruned to eliminate duplicates Z: 7 3.032 1.554 0.235 0.371 0.667 0.500 N 1.109 5 residues pruned to eliminate duplicates Z: 6 3.804 1.522 0.028 0.522 1.000 0.600 CB 1.064 6 residues pruned to eliminate duplicates Z: 30 17.689 1.826 0.758 0.513 0.828 0.552 CB 1.221 30 residues pruned to eliminate duplicates Z: 16 9.185 1.739 0.591 0.441 0.867 0.533 CB 1.051 14 residues pruned to eliminate duplicates Z: 7 7.470 1.578 0.725 0.756 1.000 0.833 CB 0.892 5 residues pruned to eliminate duplicates Z: 8 6.063 1.551 0.341 0.831 1.000 0.857 CB 0.828 8 residues pruned to eliminate duplicates Z: 9 4.725 1.502 0.285 0.634 0.875 0.500 CB 0.872 9 residues pruned to eliminate duplicates Z: 6 5.772 1.607 0.433 0.622 1.000 0.200 CB 0.999 6 residues pruned to eliminate duplicates Z: 11 4.141 1.491 0.435 0.373 0.700 0.400 CB 1.001 8 residues pruned to eliminate duplicates Z: 7 5.025 1.555 0.190 0.674 0.833 0.333 O 1.132 Z: 11 5.662 1.402 0.265 0.511 0.900 0.200 N 1.110 7 residues pruned to eliminate duplicates Z: 8 5.578 1.432 0.252 0.657 1.000 0.571 CB 1.017 8 residues pruned to eliminate duplicates Z: 8 6.295 1.528 0.285 0.623 0.857 0.571 N 1.259 10 residues pruned to eliminate duplicates Z: 11 6.880 1.432 0.445 0.658 0.800 0.400 O 1.135 11 residues pruned to eliminate duplicates Z: 11 5.632 1.390 0.280 0.514 0.900 0.400 O 1.097 9 residues pruned to eliminate duplicates Z: 9 4.724 1.426 0.205 0.612 0.750 0.375 O 1.165 9 residues pruned to eliminate duplicates Z: 9 14.320 1.969 0.430 0.638 1.000 0.625 CB 1.579 9 residues pruned to eliminate duplicates Z: 13 12.725 1.864 0.603 0.481 0.917 0.583 CB 1.367 13 residues pruned to eliminate duplicates Z: 12 12.233 1.945 0.653 0.517 0.818 0.455 N 1.378 12 residues pruned to eliminate duplicates Z: 11 17.515 2.040 0.866 0.575 0.900 0.400 N 1.504 11 residues pruned to eliminate duplicates Z: 9 17.627 2.013 0.848 0.744 0.875 0.625 N 1.540 9 residues pruned to eliminate duplicates Z: 17 19.073 1.917 0.715 0.665 0.812 0.688 CB 1.532 17 residues pruned to eliminate duplicates Z: 18 25.751 1.884 1.269 0.659 0.824 0.471 N 1.531 18 residues pruned to eliminate duplicates Z: 19 27.585 1.939 0.998 0.724 0.944 0.722 N 1.453 19 residues pruned to eliminate duplicates Z: 20 18.796 1.847 0.980 0.687 0.895 0.474 CB 1.111 20 residues pruned to eliminate duplicates Z: 27 21.327 1.840 0.821 0.619 0.885 0.423 CB 1.262 27 residues pruned to eliminate duplicates Z: 16 15.452 1.853 0.924 0.627 0.733 0.333 N 1.354 16 residues pruned to eliminate duplicates Z: 19 23.065 1.930 0.956 0.770 0.889 0.556 CB 1.276 19 residues pruned to eliminate duplicates Z: 14 20.124 1.871 0.968 0.688 0.923 0.231 CB 1.383 14 residues pruned to eliminate duplicates Z: 20 29.338 1.897 1.013 0.746 0.947 0.632 CB 1.493 20 residues pruned to eliminate duplicates Z: 15 8.075 1.733 0.657 0.488 0.714 0.429 N 1.064 15 residues pruned to eliminate duplicates Z: 12 8.496 1.740 0.378 0.801 0.818 0.727 CB 1.004 16 residues pruned to eliminate duplicates Z: 13 7.799 1.693 0.282 0.775 1.000 0.750 CB 0.814 13 residues pruned to eliminate duplicates Z: 18 8.271 1.678 0.438 0.624 0.824 0.588 CB 0.898 19 residues pruned to eliminate duplicates Z: 13 10.306 1.744 0.385 0.862 1.000 0.750 CB 0.905 13 residues pruned to eliminate duplicates Z: 10 7.666 1.782 0.277 0.836 1.000 0.889 CB 0.840 10 residues pruned to eliminate duplicates Z: 16 9.551 1.691 0.429 0.657 0.867 0.400 CB 1.019 16 residues pruned to eliminate duplicates Z: 15 8.032 1.681 0.471 0.462 0.857 0.429 CB 1.053 15 residues pruned to eliminate duplicates Z: 8 7.105 1.700 0.712 0.705 0.857 0.571 CB 0.893 8 residues pruned to eliminate duplicates Z: 8 7.178 1.725 0.721 0.567 1.000 0.714 CB 0.856 8 residues pruned to eliminate duplicates Z: 12 4.016 1.602 0.222 0.357 0.818 0.364 CB 0.882 12 residues pruned to eliminate duplicates Z: 28 8.373 1.720 0.353 0.281 0.704 0.444 CB 1.260 38 residues pruned to eliminate duplicates Z: 37 15.415 1.750 0.390 0.532 0.833 0.500 CB 1.229 37 residues pruned to eliminate duplicates Z: 8 4.439 1.571 0.150 0.343 0.857 0.571 C 1.285 8 residues pruned to eliminate duplicates Z: 9 6.767 1.693 0.351 0.676 0.625 0.500 CB 1.423 9 residues pruned to eliminate duplicates Z: 26 23.218 1.920 0.448 0.797 0.960 0.800 CB 1.341 26 residues pruned to eliminate duplicates Z: 17 8.709 1.786 0.327 0.385 0.750 0.438 CB 1.384 17 residues pruned to eliminate duplicates Z: 31 13.761 1.828 0.428 0.615 0.800 0.667 CB 1.079 31 residues pruned to eliminate duplicates Z: 17 15.385 1.923 0.256 0.837 0.875 0.812 CB 1.361 17 residues pruned to eliminate duplicates Z: 24 24.205 1.954 0.411 0.849 1.000 0.783 CB 1.357 24 residues pruned to eliminate duplicates Z: 17 21.415 1.980 0.538 0.805 1.000 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 27 18.419 1.890 0.539 0.632 0.885 0.654 CB 1.240 27 residues pruned to eliminate duplicates Z: 48 27.830 1.953 0.669 0.674 0.809 0.617 CB 1.312 80 residues pruned to eliminate duplicates Z: 25 17.001 1.905 0.451 0.801 0.792 0.750 CB 1.219 25 residues pruned to eliminate duplicates Z: 23 22.254 1.914 0.760 0.805 0.909 0.727 CB 1.186 23 residues pruned to eliminate duplicates Z: 14 21.890 1.982 0.793 0.846 0.923 0.846 CB 1.375 14 residues pruned to eliminate duplicates Z: 22 23.082 1.992 0.591 0.842 0.857 0.762 CB 1.382 22 residues pruned to eliminate duplicates Z: 13 19.343 2.023 0.761 0.842 0.917 0.750 CB 1.275 13 residues pruned to eliminate duplicates Z: 41 20.004 1.903 0.583 0.582 0.775 0.625 CB 1.252 41 residues pruned to eliminate duplicates Z: 17 23.585 1.900 0.850 0.802 0.875 0.812 CB 1.473 17 residues pruned to eliminate duplicates Z: 27 21.630 1.897 0.616 0.790 0.923 0.692 CB 1.162 27 residues pruned to eliminate duplicates Z: 41 20.356 1.898 0.574 0.566 0.775 0.550 CB 1.305 42 residues pruned to eliminate duplicates Z: 20 32.149 2.001 0.834 0.911 1.000 0.842 CB 1.424 19 residues pruned to eliminate duplicates Z: 16 26.811 1.929 0.860 0.887 1.000 0.800 CB 1.391 16 residues pruned to eliminate duplicates Z: 11 6.195 1.592 0.254 0.818 1.000 0.700 CB 0.745 11 residues pruned to eliminate duplicates Z: 10 7.011 1.695 0.275 0.407 1.000 0.222 O 1.192 10 residues pruned to eliminate duplicates Z: 17 7.958 1.576 0.487 0.482 0.812 0.438 CB 1.064 17 residues pruned to eliminate duplicates Z: 15 7.498 1.654 0.175 0.598 0.929 0.429 CB 1.011 15 residues pruned to eliminate duplicates Z: 8 8.910 1.718 0.405 0.809 1.000 0.571 CB 1.066 8 residues pruned to eliminate duplicates Z: 11 9.530 1.666 0.354 0.747 1.000 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 22 9.762 1.685 0.357 0.528 0.810 0.429 CB 1.120 29 residues pruned to eliminate duplicates Z: 12 8.832 1.618 0.601 0.823 0.909 0.636 CB 0.855 12 residues pruned to eliminate duplicates Z: 15 9.954 1.620 0.554 0.726 0.929 0.500 CB 0.928 15 residues pruned to eliminate duplicates Z: 17 10.381 1.701 0.592 0.676 0.875 0.688 CB 0.931 17 residues pruned to eliminate duplicates Z: 22 9.202 1.703 0.524 0.484 0.857 0.667 CB 0.917 22 residues pruned to eliminate duplicates Z: 21 14.600 1.715 0.568 0.678 0.950 0.600 CB 1.084 21 residues pruned to eliminate duplicates Z: 13 10.711 1.693 0.521 0.513 0.917 0.417 N 1.292 13 residues pruned to eliminate duplicates Z: 19 14.230 1.786 0.617 0.667 0.889 0.611 CB 1.120 19 residues pruned to eliminate duplicates Z: 17 10.992 1.701 0.600 0.526 0.938 0.500 CB 1.049 17 residues pruned to eliminate duplicates Z: 12 12.876 1.844 0.623 0.561 0.909 0.636 CB 1.344 12 residues pruned to eliminate duplicates Z: 20 10.985 1.762 0.451 0.593 0.842 0.579 CB 1.071 20 residues pruned to eliminate duplicates Z: 9 4.803 1.660 0.285 0.502 1.000 0.625 CB 0.795 9 residues pruned to eliminate duplicates Z: 26 14.575 1.747 0.409 0.518 0.920 0.480 CB 1.265 26 residues pruned to eliminate duplicates Z: 27 11.501 1.704 0.542 0.449 0.846 0.462 CB 1.069 27 residues pruned to eliminate duplicates Z: 26 8.245 1.676 0.359 0.424 0.720 0.480 CB 1.089 26 residues pruned to eliminate duplicates Z: 25 10.928 1.737 0.357 0.500 0.833 0.375 CB 1.136 25 residues pruned to eliminate duplicates Z: 23 9.045 1.694 0.383 0.333 0.818 0.409 CB 1.207 23 residues pruned to eliminate duplicates Z: 18 5.355 1.745 0.344 0.216 0.706 0.412 CB 1.095 18 residues pruned to eliminate duplicates Z: 6 5.450 1.710 0.278 0.245 1.000 0.600 O 1.497 Z: 7 3.538 1.585 0.542 0.441 0.833 0.333 CB 0.754 7 residues pruned to eliminate duplicates Z: 17 9.187 1.958 0.340 0.362 0.938 0.750 CB 1.083 17 residues pruned to eliminate duplicates Z: 21 9.073 1.788 0.413 0.319 0.850 0.400 CB 1.154 21 residues pruned to eliminate duplicates Z: 22 9.615 1.801 0.376 0.272 0.857 0.333 CB 1.279 22 residues pruned to eliminate duplicates Z: 18 10.068 1.895 0.563 0.342 0.882 0.588 CB 1.110 18 residues pruned to eliminate duplicates Z: 16 9.990 1.906 0.437 0.311 0.933 0.333 CB 1.245 16 residues pruned to eliminate duplicates Z: 26 10.326 1.805 0.386 0.244 0.880 0.400 CB 1.262 24 residues pruned to eliminate duplicates Z: 7 4.760 1.486 0.442 0.374 0.833 0.333 CB 1.244 7 residues pruned to eliminate duplicates Z: 38 11.858 1.728 0.493 0.322 0.784 0.378 CB 1.173 38 residues pruned to eliminate duplicates Z: 15 9.289 1.941 0.310 0.377 0.929 0.500 CB 1.199 15 residues pruned to eliminate duplicates Z: 32 11.217 1.778 0.467 0.235 0.871 0.258 CB 1.207 32 residues pruned to eliminate duplicates Z: 21 10.925 1.875 0.479 0.364 0.750 0.450 CB 1.359 21 residues pruned to eliminate duplicates Z: 12 5.787 1.487 0.396 0.489 0.909 0.455 CB 0.934 8 residues pruned to eliminate duplicates Z: 10 10.568 1.561 0.691 0.884 0.889 0.889 CB 1.085 14 residues pruned to eliminate duplicates Z: 9 8.295 1.626 0.440 0.873 1.000 0.750 CB 0.912 9 residues pruned to eliminate duplicates Z: 17 8.249 1.547 0.624 0.516 0.875 0.625 CB 0.923 16 residues pruned to eliminate duplicates Z: 13 9.727 1.634 0.642 0.752 0.750 0.667 CB 1.114 13 residues pruned to eliminate duplicates Z: 18 12.682 1.633 0.524 0.686 0.941 0.765 CB 1.107 18 residues pruned to eliminate duplicates Z: 15 8.199 1.462 0.510 0.686 0.857 0.500 CB 0.977 15 residues pruned to eliminate duplicates Z: 10 13.186 1.644 0.538 0.894 1.000 0.778 O 1.246 10 residues pruned to eliminate duplicates Z: 18 13.153 1.653 0.434 0.745 0.941 0.824 CB 1.149 18 residues pruned to eliminate duplicates Z: 15 10.850 1.650 0.467 0.710 0.857 0.786 CB 1.155 15 residues pruned to eliminate duplicates Z: 11 4.555 1.575 0.494 0.276 0.700 0.400 CB 1.126 11 residues pruned to eliminate duplicates Z: 14 5.605 1.544 0.612 0.446 0.615 0.538 CB 1.073 14 residues pruned to eliminate duplicates Z: 18 7.386 1.598 0.358 0.488 0.706 0.412 N 1.184 18 residues pruned to eliminate duplicates Z: 9 6.847 1.676 0.586 0.470 0.750 0.500 CB 1.252 9 residues pruned to eliminate duplicates Z: 22 6.226 1.436 0.391 0.323 0.810 0.429 CB 1.021 17 residues pruned to eliminate duplicates Z: 6 2.554 1.473 -0.083 0.358 0.800 0.800 N 1.233 Z: 6 3.200 1.438 0.552 0.830 0.800 0.600 CB 0.603 5 residues pruned to eliminate duplicates Z: 7 5.052 1.498 0.450 0.599 0.833 0.333 CB 1.037 7 residues pruned to eliminate duplicates Z: 10 4.511 1.634 0.361 0.385 0.667 0.333 CB 1.147 11 residues pruned to eliminate duplicates 6 1.691 1.214 0.227 0.468 0.600 0.400 CB 0.874 ? Z: 13 19.656 2.067 0.584 0.917 1.000 1.000 CB 1.222 13 residues pruned to eliminate duplicates Z: 17 19.523 2.049 0.401 0.693 1.000 0.750 CB 1.425 17 residues pruned to eliminate duplicates Z: 32 23.934 1.925 0.762 0.571 0.839 0.645 CB 1.411 32 residues pruned to eliminate duplicates Z: 17 22.731 2.041 0.660 0.688 0.938 0.750 CB 1.506 17 residues pruned to eliminate duplicates Z: 30 22.380 1.936 0.653 0.598 0.897 0.586 CB 1.319 20 residues pruned to eliminate duplicates Z: 19 25.706 1.917 0.893 0.871 1.000 0.778 CB 1.218 19 residues pruned to eliminate duplicates Z: 26 16.528 1.961 0.559 0.457 0.800 0.520 CB 1.413 26 residues pruned to eliminate duplicates Z: 23 22.275 1.997 0.656 0.618 0.955 0.636 CB 1.346 23 residues pruned to eliminate duplicates Z: 11 17.000 1.951 0.896 0.808 0.900 0.700 CB 1.235 11 residues pruned to eliminate duplicates Z: 29 23.966 1.961 0.722 0.616 0.857 0.643 CB 1.402 13 residues pruned to eliminate duplicates Z: 17 22.234 2.006 0.760 0.915 0.875 0.812 CB 1.271 17 residues pruned to eliminate duplicates Z: 26 19.114 2.043 0.453 0.597 0.840 0.560 CB 1.397 26 residues pruned to eliminate duplicates Z: 19 22.786 2.032 0.652 0.663 0.889 0.778 CB 1.547 19 residues pruned to eliminate duplicates Z: 7 9.113 1.927 0.500 0.441 0.833 0.833 CB 1.642 7 residues pruned to eliminate duplicates Z: 27 23.905 2.032 0.772 0.638 0.808 0.731 CB 1.417 27 residues pruned to eliminate duplicates Z: 25 20.517 1.918 0.833 0.534 0.792 0.583 CB 1.455 25 residues pruned to eliminate duplicates Z: 28 23.494 1.983 0.724 0.598 0.926 0.556 CB 1.301 28 residues pruned to eliminate duplicates Z: 30 23.369 1.955 0.826 0.561 0.828 0.552 CB 1.384 30 residues pruned to eliminate duplicates Z: 27 24.772 1.995 0.845 0.641 0.846 0.538 CB 1.367 27 residues pruned to eliminate duplicates Z: 28 21.813 1.997 0.719 0.650 0.815 0.593 CB 1.306 28 residues pruned to eliminate duplicates Z: 14 11.519 1.847 0.707 0.468 0.846 0.462 CB 1.237 14 residues pruned to eliminate duplicates Z: 28 28.924 2.029 0.788 0.656 0.889 0.778 CB 1.493 28 residues pruned to eliminate duplicates Z: 28 19.258 1.945 0.674 0.615 0.815 0.556 CB 1.253 28 residues pruned to eliminate duplicates Z: 26 22.576 2.016 0.795 0.578 0.800 0.520 CB 1.448 26 residues pruned to eliminate duplicates Z: 48 31.461 1.969 0.752 0.686 0.915 0.702 CB 1.226 48 residues pruned to eliminate duplicates Z: 32 18.394 1.935 0.452 0.534 0.903 0.613 CB 1.259 32 residues pruned to eliminate duplicates Z: 16 12.043 1.838 0.359 0.661 0.867 0.600 CB 1.238 16 residues pruned to eliminate duplicates Z: 41 23.223 1.958 0.544 0.570 0.850 0.600 CB 1.336 41 residues pruned to eliminate duplicates Z: 41 28.354 2.023 0.698 0.633 0.875 0.625 CB 1.316 41 residues pruned to eliminate duplicates Z: 32 18.146 1.888 0.618 0.516 0.806 0.581 CB 1.302 32 residues pruned to eliminate duplicates Z: 17 15.108 1.973 0.527 0.724 0.812 0.750 CB 1.261 17 residues pruned to eliminate duplicates Z: 44 25.816 1.989 0.629 0.600 0.837 0.698 CB 1.319 44 residues pruned to eliminate duplicates Z: 22 16.974 1.954 0.478 0.608 0.857 0.762 CB 1.351 22 residues pruned to eliminate duplicates Z: 14 18.120 1.994 0.801 0.771 0.846 0.769 CB 1.301 14 residues pruned to eliminate duplicates Z: 16 16.395 1.971 0.628 0.724 0.867 0.600 CB 1.243 16 residues pruned to eliminate duplicates Z: 45 29.511 1.967 0.734 0.631 0.886 0.705 CB 1.301 45 residues pruned to eliminate duplicates Z: 12 24.228 2.014 1.002 0.889 1.000 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 43 21.820 1.913 0.647 0.629 0.833 0.429 CB 1.135 43 residues pruned to eliminate duplicates Z: 33 21.064 1.956 0.783 0.567 0.812 0.656 CB 1.232 33 residues pruned to eliminate duplicates Z: 43 32.765 1.954 0.920 0.662 0.881 0.643 CB 1.316 43 residues pruned to eliminate duplicates Z: 8 5.322 1.776 0.051 0.456 0.857 0.286 CB 1.316 8 residues pruned to eliminate duplicates Z: 10 9.222 1.796 0.310 0.518 1.000 0.556 CB 1.284 19 residues pruned to eliminate duplicates Z: 6 7.195 1.618 0.501 0.471 1.000 0.800 O 1.364 6 residues pruned to eliminate duplicates Z: 9 8.911 1.709 0.355 0.657 1.000 0.625 CB 1.175 10 residues pruned to eliminate duplicates Z: 6 3.184 1.352 0.342 0.469 0.800 0.200 CB 1.013 6 residues pruned to eliminate duplicates Z: 8 8.778 1.764 0.526 0.720 1.000 0.429 CB 1.010 9 residues pruned to eliminate duplicates Z: 12 7.616 1.560 0.563 0.808 0.818 0.545 CB 0.880 11 residues pruned to eliminate duplicates Z: 8 10.073 1.640 0.625 0.893 1.000 0.714 CB 1.025 8 residues pruned to eliminate duplicates Z: 12 6.937 1.530 0.605 0.835 0.818 0.727 CB 0.780 12 residues pruned to eliminate duplicates Z: 16 6.039 1.492 0.555 0.534 0.667 0.400 CB 0.975 16 residues pruned to eliminate duplicates Z: 13 6.674 1.586 0.538 0.622 0.750 0.417 CB 0.938 11 residues pruned to eliminate duplicates Z: 12 6.773 1.598 0.628 0.784 0.727 0.636 CB 0.841 12 residues pruned to eliminate duplicates Z: 14 6.311 1.562 0.359 0.735 0.846 0.538 CB 0.790 14 residues pruned to eliminate duplicates Z: 15 8.391 1.603 0.528 0.674 0.714 0.500 CB 1.092 15 residues pruned to eliminate duplicates Z: 13 6.092 1.534 0.526 0.804 0.667 0.500 CB 0.864 13 residues pruned to eliminate duplicates Z: 11 7.553 1.536 0.657 0.808 0.800 0.500 CB 0.897 11 residues pruned to eliminate duplicates Z: 8 3.071 1.379 0.403 0.316 0.714 0.571 CB 1.030 Z: 8 4.538 1.360 0.536 0.729 0.857 0.714 CB 0.779 Z: 6 2.575 1.448 0.090 0.720 0.800 0.400 CB 0.748 6 residues pruned to eliminate duplicates Z: 9 4.343 1.464 0.184 0.645 0.875 0.625 CB 0.885 8 residues pruned to eliminate duplicates Z: 9 4.578 1.455 0.568 0.685 0.750 0.625 CB 0.798 9 residues pruned to eliminate duplicates Z: 9 2.349 1.467 0.241 0.568 0.625 0.500 CB 0.684 8 residues pruned to eliminate duplicates Z: 7 2.814 1.579 0.531 0.773 0.333 0.333 CB 1.120 5 residues pruned to eliminate duplicates Z: 12 7.393 1.671 0.282 0.750 0.818 0.455 CB 1.017 10 residues pruned to eliminate duplicates Z: 12 6.550 1.656 0.064 0.831 0.909 0.727 CB 0.926 12 residues pruned to eliminate duplicates Z: 8 10.335 1.802 0.612 0.835 0.857 0.714 CB 1.175 9 residues pruned to eliminate duplicates Z: 11 7.554 1.698 0.441 0.802 0.700 0.600 CB 1.071 10 residues pruned to eliminate duplicates Z: 12 9.993 1.679 0.692 0.646 0.818 0.636 CB 1.131 12 residues pruned to eliminate duplicates Z: 10 11.743 1.626 0.775 0.812 0.889 0.778 CB 1.163 12 residues pruned to eliminate duplicates Z: 9 11.966 1.674 0.974 0.857 0.875 0.875 CB 1.078 9 residues pruned to eliminate duplicates Z: 10 10.844 1.710 0.444 0.750 1.000 0.778 CB 1.171 10 residues pruned to eliminate duplicates Z: 7 3.918 1.907 0.502 0.506 0.667 0.500 CB 0.833 Z: 9 3.596 1.783 0.200 0.710 0.750 0.500 CB 0.655 7 residues pruned to eliminate duplicates Z: 13 4.625 1.560 0.459 0.645 0.750 0.417 CB 0.683 9 residues pruned to eliminate duplicates Z: 6 5.848 1.723 0.657 0.723 0.800 0.800 CB 0.936 Z: 9 8.657 1.655 0.297 0.824 1.000 0.875 CB 1.077 15 residues pruned to eliminate duplicates Z: 17 7.393 1.640 0.276 0.409 0.812 0.312 CB 1.195 16 residues pruned to eliminate duplicates Z: 11 7.973 1.644 0.304 0.869 0.900 0.600 CB 0.954 12 residues pruned to eliminate duplicates Z: 11 9.062 1.620 0.210 0.877 1.000 0.700 CB 1.062 11 residues pruned to eliminate duplicates Z: 9 10.052 1.697 0.377 0.777 1.000 0.750 CB 1.191 9 residues pruned to eliminate duplicates Z: 6 3.042 1.525 0.280 0.584 0.800 0.400 N 0.804 6 residues pruned to eliminate duplicates Z: 9 13.604 2.010 0.576 0.714 0.875 0.500 CB 1.429 7 residues pruned to eliminate duplicates Z: 6 3.417 1.448 0.571 0.258 0.800 0.600 CB 1.107 Z: 6 3.745 1.607 0.356 0.410 1.000 0.200 CB 0.844 5 residues pruned to eliminate duplicates Z: 8 2.683 1.217 0.542 0.278 0.714 0.571 CB 0.972 8 residues pruned to eliminate duplicates Z: 8 2.531 1.369 0.369 0.220 0.714 0.286 CB 0.993 6 residues pruned to eliminate duplicates Z: 8 9.639 1.793 0.600 0.777 0.857 0.714 CB 1.160 8 residues pruned to eliminate duplicates Z: 7 8.570 1.819 0.483 0.631 0.833 0.333 CB 1.376 7 residues pruned to eliminate duplicates Z: 14 7.427 1.651 0.385 0.388 0.769 0.231 CB 1.319 14 residues pruned to eliminate duplicates Z: 6 6.261 1.828 0.237 0.462 0.800 0.400 O 1.609 6 residues pruned to eliminate duplicates Z: 10 9.509 1.681 0.506 0.535 0.889 0.667 O 1.361 10 residues pruned to eliminate duplicates Z: 13 9.300 1.576 0.586 0.428 0.917 0.333 CB 1.262 17 residues pruned to eliminate duplicates Z: 9 8.039 1.716 0.715 0.579 0.750 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 10 10.628 1.677 0.593 0.620 0.889 0.778 CB 1.331 10 residues pruned to eliminate duplicates Z: 6 2.303 1.558 -0.057 0.320 0.800 0.200 CB 1.068 5 residues pruned to eliminate duplicates Z: 7 3.713 1.533 0.103 0.886 0.833 0.500 CB 0.776 7 residues pruned to eliminate duplicates Z: 8 3.643 1.607 0.247 0.623 0.714 0.571 CB 0.856 6 residues pruned to eliminate duplicates Z: 9 11.771 1.834 0.409 0.850 1.000 0.875 CB 1.192 9 residues pruned to eliminate duplicates Z: 11 9.977 1.708 0.325 0.635 0.900 0.700 CB 1.364 18 residues pruned to eliminate duplicates Z: 9 14.732 1.856 0.527 0.878 1.000 0.875 CB 1.333 11 residues pruned to eliminate duplicates Z: 8 10.168 1.840 0.436 0.811 0.857 0.857 CB 1.294 8 residues pruned to eliminate duplicates Z: 10 11.087 1.770 0.452 0.686 1.000 0.889 CB 1.213 10 residues pruned to eliminate duplicates Z: 11 9.543 1.754 0.366 0.608 0.900 0.800 CB 1.263 11 residues pruned to eliminate duplicates Z: 11 12.001 1.761 0.396 0.692 1.000 0.700 CB 1.296 10 residues pruned to eliminate duplicates Z: 6 6.127 1.523 1.003 0.387 1.000 0.800 CB 1.013 Z: 12 8.337 1.621 0.259 0.837 0.909 0.364 CB 1.013 Z: 11 9.742 1.767 0.387 0.659 1.000 0.700 CB 1.085 9 residues pruned to eliminate duplicates Z: 11 9.830 1.794 0.227 0.675 1.000 0.700 CB 1.202 14 residues pruned to eliminate duplicates Z: 8 4.684 1.344 0.456 0.513 0.857 0.571 O 1.041 Z: 6 3.527 1.270 0.674 0.437 0.800 0.200 O 0.990 5 residues pruned to eliminate duplicates Z: 8 7.581 1.504 0.747 0.765 0.857 0.286 CB 1.006 8 residues pruned to eliminate duplicates Z: 7 5.502 1.525 0.464 0.711 1.000 1.000 CB 0.831 7 residues pruned to eliminate duplicates Z: 7 3.826 1.511 0.313 0.624 0.833 0.333 CB 0.840 7 residues pruned to eliminate duplicates Z: 12 3.975 1.660 0.466 0.270 0.545 0.364 CB 1.174 Z: 6 3.107 1.319 0.534 0.499 0.800 0.000 CB 0.859 6 residues pruned to eliminate duplicates Z: 14 5.838 1.595 0.479 0.256 0.769 0.077 CB 1.180 12 residues pruned to eliminate duplicates 6 1.780 1.266 0.151 0.311 0.800 0.600 N 0.843 ? 6 1.160 1.288 0.418 0.111 0.600 0.000 N 0.774 ? Z: 11 10.778 1.697 0.525 0.845 1.000 0.700 CB 0.980 12 residues pruned to eliminate duplicates Z: 10 8.739 1.652 0.390 0.859 1.000 1.000 CB 0.933 9 residues pruned to eliminate duplicates Z: 10 9.620 1.754 0.265 0.828 0.889 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 8 8.005 1.756 0.196 0.659 1.000 0.857 CB 1.243 8 residues pruned to eliminate duplicates Z: 14 8.925 1.628 0.152 0.683 0.923 0.692 CB 1.208 12 residues pruned to eliminate duplicates Z: 12 10.274 1.626 0.187 0.796 1.000 0.636 O 1.238 12 residues pruned to eliminate duplicates Z: 14 9.015 1.620 0.340 0.717 0.846 0.538 CB 1.118 14 residues pruned to eliminate duplicates Z: 12 8.348 1.722 0.165 0.777 0.909 0.818 CB 1.081 12 residues pruned to eliminate duplicates Z: 11 10.355 1.664 0.524 0.846 1.000 0.700 CB 0.959 11 residues pruned to eliminate duplicates Z: 8 7.090 1.567 0.521 0.761 0.857 0.857 N 1.040 8 residues pruned to eliminate duplicates Z: 12 9.795 1.659 0.379 0.861 0.909 0.818 CB 1.044 12 residues pruned to eliminate duplicates Z: 10 7.009 1.767 0.167 0.696 0.889 0.889 CB 1.066 10 residues pruned to eliminate duplicates Z: 10 7.046 1.698 0.406 0.779 0.889 0.778 CB 0.866 10 residues pruned to eliminate duplicates Z: 9 7.802 1.759 0.061 0.793 1.000 1.000 CB 1.143 9 residues pruned to eliminate duplicates Z: 10 8.419 1.714 0.575 0.758 0.889 0.778 CB 0.930 10 residues pruned to eliminate duplicates Z: 8 9.265 1.808 0.296 0.897 1.000 1.000 CB 1.070 8 residues pruned to eliminate duplicates Z: 8 9.526 1.784 0.394 0.883 1.000 0.857 CB 1.047 8 residues pruned to eliminate duplicates Z: 7 8.864 1.822 0.399 0.891 1.000 1.000 CB 1.021 7 residues pruned to eliminate duplicates Z: 11 10.297 1.632 0.413 0.763 0.900 0.500 CB 1.243 11 residues pruned to eliminate duplicates Z: 12 11.078 1.598 0.662 0.693 0.818 0.727 O 1.288 12 residues pruned to eliminate duplicates Z: 13 9.228 1.498 0.608 0.626 0.833 0.417 CB 1.179 13 residues pruned to eliminate duplicates Z: 10 10.676 1.638 0.564 0.794 0.889 0.556 CB 1.208 10 residues pruned to eliminate duplicates Z: 13 8.937 1.521 0.436 0.635 1.000 0.667 CB 1.041 13 residues pruned to eliminate duplicates Z: 9 13.782 1.703 0.840 0.841 1.000 0.375 CB 1.160 9 residues pruned to eliminate duplicates Z: 9 15.757 1.740 0.898 0.885 1.000 0.875 CB 1.218 10 residues pruned to eliminate duplicates Z: 10 18.774 2.009 1.027 0.793 0.889 0.556 CB 1.337 10 residues pruned to eliminate duplicates Z: 15 17.099 1.934 0.787 0.533 0.929 0.500 CB 1.378 15 residues pruned to eliminate duplicates Z: 38 22.177 1.970 0.747 0.439 0.865 0.486 CB 1.304 38 residues pruned to eliminate duplicates Z: 29 17.402 1.991 0.766 0.424 0.857 0.464 CB 1.181 29 residues pruned to eliminate duplicates Z: 14 14.046 2.000 0.563 0.643 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 15 13.472 2.034 0.618 0.561 0.786 0.357 CB 1.313 15 residues pruned to eliminate duplicates Z: 19 15.984 1.925 0.567 0.612 0.944 0.556 CB 1.189 19 residues pruned to eliminate duplicates Z: 14 14.934 2.025 0.624 0.613 0.846 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 15 11.787 1.792 0.571 0.744 1.000 0.643 CB 0.899 15 residues pruned to eliminate duplicates Z: 18 9.152 1.896 0.331 0.508 0.647 0.529 CB 1.349 18 residues pruned to eliminate duplicates Z: 24 10.952 1.783 0.475 0.459 0.826 0.478 CB 1.096 24 residues pruned to eliminate duplicates Z: 20 14.355 1.811 0.733 0.535 0.842 0.368 CB 1.203 20 residues pruned to eliminate duplicates Z: 8 2.771 1.679 0.026 0.283 0.714 0.286 CB 1.088 Z: 9 6.608 1.621 0.520 0.744 1.000 0.625 CB 0.762 Z: 8 7.135 1.667 0.441 0.731 0.857 0.571 CB 1.064 9 residues pruned to eliminate duplicates Z: 9 9.015 1.664 0.376 0.822 1.000 0.750 CB 1.053 8 residues pruned to eliminate duplicates Z: 6 6.750 1.708 0.335 0.711 0.800 0.800 CB 1.366 6 residues pruned to eliminate duplicates Z: 13 6.939 1.562 0.413 0.548 0.833 0.333 CB 1.040 23 residues pruned to eliminate duplicates Z: 11 7.861 1.598 0.285 0.807 0.900 0.600 CB 1.030 10 residues pruned to eliminate duplicates Z: 12 7.555 1.628 0.541 0.783 0.818 0.636 CB 0.865 11 residues pruned to eliminate duplicates Z: 6 2.417 1.284 0.656 0.252 0.800 0.800 O 0.846 6 residues pruned to eliminate duplicates Z: 22 14.201 1.981 0.524 0.377 0.810 0.286 CB 1.446 22 residues pruned to eliminate duplicates Z: 46 19.270 1.968 0.613 0.477 0.778 0.556 CB 1.191 60 residues pruned to eliminate duplicates Z: 6 4.463 1.772 0.208 0.509 0.800 0.600 CB 1.155 6 residues pruned to eliminate duplicates Z: 22 11.405 1.894 0.743 0.401 0.762 0.524 CB 1.099 22 residues pruned to eliminate duplicates Z: 18 12.471 1.963 0.515 0.383 0.941 0.529 CB 1.224 18 residues pruned to eliminate duplicates Z: 15 9.056 1.774 0.637 0.288 0.786 0.500 CB 1.346 15 residues pruned to eliminate duplicates Z: 24 12.537 1.850 0.746 0.276 0.783 0.522 CB 1.331 24 residues pruned to eliminate duplicates Z: 35 18.151 1.979 0.574 0.443 0.853 0.471 CB 1.243 35 residues pruned to eliminate duplicates Z: 49 20.726 1.918 0.664 0.472 0.833 0.458 CB 1.158 49 residues pruned to eliminate duplicates Z: 32 12.899 1.939 0.611 0.287 0.774 0.452 CB 1.217 32 residues pruned to eliminate duplicates Z: 32 15.338 1.890 0.599 0.370 0.871 0.484 CB 1.203 32 residues pruned to eliminate duplicates Z: 8 3.648 1.649 0.129 0.423 1.000 0.571 CB 0.803 853 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 7 D: 8 E: 9 F: 10 G: 13 H: 8 I: 6 J: 7 K: 7 L: 18 M: 6 N: 10 O: 25 P: 19 Q: 33 R: 14 S: 31 T: 8 U: 21 V: 22 W: 18 X: 13 Y: 12 Z: 11 Z: 14 Z: 81 Z: 22 Z: 28 Z: 33 Z: 12 Z: 22 Z: 14 Z: 10 Z: 10 Z: 13 Z: 25 Z: 10 Z: 17 Z: 11 Z: 11 Z: 6 Z: 7 Z: 14 Z: 10 Z: 12 Z: 55 Z: 9 Z: 49 Z: 7 CC for partial structure against native data = 31.03 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.526, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.614, Connect. = 0.740 for dens.mod. cycle 2 = 0.300, Contrast = 0.721, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.742, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.757, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.765, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.771, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.775, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3819 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 975 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 16.726 1.780 0.724 0.909 1.000 1.000 CB 1.073 B: 12 2.581 1.758 0.197 0.256 0.455 0.182 CB 1.077 C: 36 18.503 1.863 0.666 0.527 0.800 0.400 CB 1.226 D: 13 7.984 1.830 0.639 0.297 0.750 0.583 CB 1.286 E: 26 14.275 1.851 0.623 0.451 0.720 0.360 CB 1.389 13 residues pruned to eliminate duplicates F: 13 14.409 1.760 0.570 0.763 1.000 0.750 CB 1.192 G: 14 20.235 1.855 0.569 0.923 1.000 1.000 CB 1.355 13 residues pruned to eliminate duplicates H: 6 3.552 1.253 0.965 0.506 0.800 0.400 O 0.802 I: 12 15.011 2.073 0.217 0.896 1.000 1.000 CB 1.285 12 residues pruned to eliminate duplicates J: 14 11.191 1.672 0.510 0.726 0.769 0.538 CB 1.303 K: 14 17.227 1.849 0.357 0.904 1.000 1.000 CB 1.356 L: 17 23.626 1.869 0.777 0.870 1.000 0.812 O 1.298 M: 6 4.287 2.039 0.168 0.807 1.000 0.800 CB 0.616 N: 13 15.569 1.606 0.722 0.828 1.000 0.500 CB 1.223 O: 18 29.771 1.961 0.931 0.929 1.000 0.647 CB 1.334 36 residues pruned to eliminate duplicates P: 16 16.366 1.945 0.844 0.794 0.933 0.533 CB 0.975 Q: 9 16.347 1.950 0.613 0.820 0.875 0.375 CB 1.592 9 residues pruned to eliminate duplicates R: 12 13.555 1.786 1.036 0.798 0.818 0.636 CB 1.059 12 residues pruned to eliminate duplicates S: 6 6.113 1.453 0.712 0.748 1.000 0.800 CB 0.881 T: 22 8.084 1.875 0.396 0.299 0.810 0.476 CB 1.042 U: 18 21.022 1.851 0.885 0.827 0.882 0.706 CB 1.248 V: 16 23.817 1.937 0.795 0.791 0.933 0.600 CB 1.468 W: 15 20.152 1.955 0.695 0.841 0.929 0.714 CB 1.305 15 residues pruned to eliminate duplicates X: 17 28.472 1.866 0.829 0.897 0.938 0.938 O 1.592 17 residues pruned to eliminate duplicates Y: 24 13.929 1.694 0.422 0.502 0.913 0.565 CB 1.318 15 residues pruned to eliminate duplicates Z: 6 5.486 1.902 0.553 0.631 1.000 0.600 CB 0.734 6 residues pruned to eliminate duplicates Z: 8 9.134 1.804 0.500 0.656 0.857 0.429 CB 1.288 8 residues pruned to eliminate duplicates Z: 15 17.717 1.833 0.495 0.857 0.929 0.714 CB 1.371 15 residues pruned to eliminate duplicates Z: 13 24.619 1.964 1.038 0.890 0.917 0.917 CB 1.393 13 residues pruned to eliminate duplicates Z: 15 15.369 1.655 0.595 0.842 0.857 0.643 CB 1.353 Z: 22 17.603 1.897 0.672 0.583 0.952 0.667 CB 1.175 Z: 10 3.322 1.565 0.029 0.375 0.667 0.333 CB 1.179 Z: 10 7.993 1.751 0.338 0.518 0.889 0.667 N 1.258 10 residues pruned to eliminate duplicates Z: 11 4.273 1.587 0.838 0.277 0.500 0.500 CB 1.193 Z: 15 9.154 1.651 0.264 0.746 0.857 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 9 12.132 1.652 0.572 0.913 1.000 1.000 CB 1.169 Z: 13 9.123 1.635 0.350 0.861 0.917 0.833 CB 0.957 Z: 13 17.896 1.811 0.590 0.806 1.000 0.583 CB 1.374 Z: 7 9.267 1.840 0.443 0.660 0.833 0.667 CB 1.475 Z: 12 19.744 1.960 0.514 0.903 1.000 1.000 CB 1.429 14 residues pruned to eliminate duplicates Z: 10 13.576 1.774 0.575 0.794 1.000 0.667 CB 1.251 Z: 24 29.904 1.928 0.753 0.874 1.000 0.826 CB 1.343 Z: 26 24.636 1.769 0.832 0.816 0.960 0.560 CB 1.203 24 residues pruned to eliminate duplicates Z: 37 12.673 1.820 0.575 0.332 0.722 0.444 CB 1.227 24 residues pruned to eliminate duplicates Z: 11 7.334 1.776 0.310 0.379 0.800 0.500 O 1.418 Z: 8 14.190 1.897 0.747 0.844 0.857 0.857 CB 1.405 6 1.097 1.475 0.043 0.284 0.400 0.400 C 1.017 ? Z: 13 12.240 1.655 0.491 0.876 0.917 0.750 CB 1.135 Z: 19 31.472 1.978 0.828 0.920 1.000 0.889 CB 1.444 18 residues pruned to eliminate duplicates Z: 11 4.283 1.660 0.342 0.373 0.700 0.500 CB 0.995 Z: 13 13.353 1.780 0.995 0.843 0.917 0.500 CB 0.882 13 residues pruned to eliminate duplicates Z: 11 8.751 1.652 0.440 0.816 0.800 0.700 CB 1.105 11 residues pruned to eliminate duplicates Z: 13 7.398 1.713 0.267 0.756 0.750 0.583 CB 1.045 13 residues pruned to eliminate duplicates Z: 14 19.614 2.029 0.614 0.874 1.000 0.769 CB 1.209 13 residues pruned to eliminate duplicates Z: 10 7.696 1.863 0.574 0.685 0.778 0.556 CB 0.949 Z: 13 16.442 1.874 0.810 0.826 0.833 0.750 CB 1.267 13 residues pruned to eliminate duplicates Z: 18 17.530 1.816 0.717 0.745 0.765 0.529 N 1.433 17 residues pruned to eliminate duplicates Z: 15 11.650 1.839 0.743 0.543 0.929 0.714 CB 1.002 17 residues pruned to eliminate duplicates 9 1.493 1.548 0.690 0.075 0.375 0.250 N 0.936 ? Z: 6 3.804 1.582 0.482 0.299 0.800 0.400 CB 1.135 Z: 9 5.037 1.804 0.457 0.320 0.625 0.375 N 1.322 Z: 10 7.143 1.809 0.241 0.543 0.889 0.556 CB 1.144 Z: 14 18.770 1.865 0.685 0.867 1.000 0.692 CB 1.212 14 residues pruned to eliminate duplicates Z: 16 14.439 1.779 0.720 0.895 0.933 0.533 CB 0.935 Z: 25 11.116 1.805 0.816 0.543 0.625 0.375 CB 1.062 11 residues pruned to eliminate duplicates Z: 12 4.380 1.710 0.046 0.327 0.636 0.455 CB 1.402 Z: 6 2.014 1.543 -0.060 0.300 0.600 0.400 C 1.295 Z: 17 28.212 1.946 0.869 0.865 1.000 0.562 CB 1.421 17 residues pruned to eliminate duplicates Z: 10 16.212 1.883 0.487 0.818 1.000 0.667 CB 1.464 Z: 8 7.199 1.701 0.332 0.864 1.000 0.857 CB 0.880 Z: 8 7.444 1.815 0.790 0.354 0.714 0.571 O 1.420 8 residues pruned to eliminate duplicates Z: 8 15.456 1.820 0.626 0.840 1.000 0.714 CB 1.473 Z: 16 25.846 1.900 0.818 0.894 1.000 1.000 CB 1.386 16 residues pruned to eliminate duplicates Z: 18 7.300 1.560 0.498 0.489 0.824 0.412 CB 0.930 18 residues pruned to eliminate duplicates Z: 8 13.818 1.794 0.799 0.912 1.000 1.000 CB 1.146 12 residues pruned to eliminate duplicates Z: 9 13.115 1.705 0.686 0.835 1.000 0.750 CB 1.209 9 residues pruned to eliminate duplicates Z: 7 6.354 1.576 0.499 0.593 0.833 0.500 CB 1.206 Z: 74 24.009 1.783 0.536 0.507 0.836 0.507 CB 1.219 75 residues pruned to eliminate duplicates Z: 7 6.515 1.696 0.184 0.719 0.833 0.500 N 1.304 Z: 6 2.493 1.324 0.247 0.489 0.800 0.400 N 0.853 Z: 12 13.322 1.705 0.895 0.852 0.727 0.636 CB 1.264 Z: 10 5.666 1.811 -0.003 0.832 0.889 0.778 CB 0.883 10 residues pruned to eliminate duplicates Z: 15 17.612 1.695 0.711 0.898 1.000 0.929 CB 1.161 9 residues pruned to eliminate duplicates Z: 8 9.054 1.752 0.362 0.861 1.000 1.000 CB 1.054 Z: 15 3.593 1.702 0.068 0.265 0.571 0.357 CB 1.209 Z: 6 4.188 1.623 0.644 0.512 0.800 0.600 CB 0.867 Z: 11 11.435 1.858 0.384 0.856 1.000 0.800 CB 1.037 11 residues pruned to eliminate duplicates Z: 11 11.227 1.864 0.637 0.672 0.800 0.800 CB 1.241 Z: 9 10.125 1.604 0.653 0.660 1.000 0.625 CB 1.164 9 residues pruned to eliminate duplicates Z: 6 7.582 1.755 0.608 0.876 1.000 1.000 CB 0.873 Z: 13 20.884 1.894 0.702 0.857 1.000 0.833 CB 1.378 Z: 10 10.719 1.937 0.529 0.550 0.889 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 20 21.407 1.926 0.768 0.825 0.842 0.579 CB 1.292 20 residues pruned to eliminate duplicates Z: 6 6.542 1.598 0.344 0.703 1.000 0.800 CB 1.132 Z: 11 9.109 1.762 0.200 0.865 1.000 0.700 CB 0.998 10 residues pruned to eliminate duplicates Z: 9 8.462 1.850 0.275 0.809 1.000 0.375 CB 0.970 Z: 9 8.883 1.773 0.364 0.797 1.000 0.625 CB 1.002 Z: 17 13.482 1.829 0.667 0.747 0.875 0.688 CB 1.013 17 residues pruned to eliminate duplicates Z: 10 7.797 1.670 0.365 0.855 0.889 0.889 CB 0.947 10 residues pruned to eliminate duplicates Z: 15 16.184 1.872 0.742 0.775 0.929 0.786 CB 1.121 15 residues pruned to eliminate duplicates Z: 11 11.971 1.755 0.636 0.891 0.900 0.400 CB 1.053 11 residues pruned to eliminate duplicates 7 1.882 1.606 -0.140 0.479 0.667 0.667 CB 0.853 ? Z: 11 4.095 1.596 0.468 0.170 0.600 0.300 O 1.374 Z: 14 20.730 1.959 1.062 0.832 0.846 0.615 CB 1.263 14 residues pruned to eliminate duplicates Z: 23 11.044 1.749 0.329 0.502 0.909 0.500 CB 1.112 36 residues pruned to eliminate duplicates Z: 14 20.831 1.876 0.655 0.799 1.000 0.538 CB 1.433 13 residues pruned to eliminate duplicates Z: 7 10.066 1.906 0.570 0.847 1.000 0.833 CB 1.019 Z: 24 26.514 1.894 0.699 0.836 0.957 0.826 CB 1.346 24 residues pruned to eliminate duplicates Z: 7 3.821 1.644 0.477 0.470 0.667 0.500 CB 0.994 Z: 17 5.796 1.705 0.013 0.325 0.812 0.438 CB 1.251 Z: 9 12.240 1.884 0.620 0.808 0.750 0.625 CB 1.446 8 residues pruned to eliminate duplicates Z: 21 9.165 1.796 0.389 0.355 0.850 0.350 CB 1.131 21 residues pruned to eliminate duplicates Z: 11 3.762 1.572 0.652 0.181 0.600 0.400 CB 1.122 Z: 17 15.557 1.799 0.842 0.866 1.000 0.625 CB 0.859 17 residues pruned to eliminate duplicates Z: 11 13.156 1.893 0.656 0.902 0.900 0.800 CB 1.051 11 residues pruned to eliminate duplicates Z: 13 8.983 1.858 0.608 0.450 0.750 0.417 CB 1.218 13 residues pruned to eliminate duplicates Z: 6 11.465 1.827 0.789 0.844 0.800 0.800 N 1.459 6 residues pruned to eliminate duplicates Z: 11 4.802 1.586 0.469 0.280 0.900 0.400 CB 0.928 11 residues pruned to eliminate duplicates Z: 6 6.337 1.936 0.317 0.664 0.800 0.600 CB 1.194 Z: 6 6.283 1.890 0.214 0.629 0.800 0.600 CB 1.355 6 residues pruned to eliminate duplicates Z: 7 5.035 1.745 0.771 0.518 0.667 0.667 CB 0.980 Z: 20 22.630 1.882 0.637 0.930 1.000 0.947 CB 1.179 20 residues pruned to eliminate duplicates Z: 7 8.137 2.043 0.622 0.883 1.000 0.833 CB 0.725 Z: 14 18.757 1.830 0.744 0.838 0.923 0.846 O 1.319 14 residues pruned to eliminate duplicates Z: 14 17.637 1.709 0.723 0.856 0.923 0.769 CB 1.328 13 residues pruned to eliminate duplicates Z: 10 8.226 1.694 0.216 0.848 0.889 0.778 CB 1.111 10 residues pruned to eliminate duplicates Z: 14 19.579 1.752 0.842 0.838 1.000 0.538 CB 1.258 14 residues pruned to eliminate duplicates Z: 8 4.968 1.541 0.414 0.429 0.857 0.571 CB 1.082 7 residues pruned to eliminate duplicates Z: 8 4.809 1.600 0.196 0.568 0.714 0.714 CB 1.246 Z: 8 9.081 1.851 0.121 0.897 1.000 1.000 CB 1.185 9 residues pruned to eliminate duplicates Z: 8 8.966 1.667 0.932 0.865 1.000 0.714 CB 0.771 Z: 11 4.168 1.663 0.342 0.306 0.800 0.500 CB 0.916 Z: 7 7.222 1.992 0.718 0.882 1.000 1.000 CB 0.623 Z: 8 6.655 1.685 0.817 0.706 0.714 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 6 13.629 1.904 0.611 0.760 1.000 0.600 O 1.577 6 residues pruned to eliminate duplicates Z: 9 3.640 1.693 0.438 0.396 0.750 0.500 CB 0.786 Z: 11 13.374 1.690 0.768 0.870 1.000 0.900 CB 1.033 9 residues pruned to eliminate duplicates Z: 10 2.503 1.473 0.404 0.249 0.667 0.444 CB 0.808 Z: 11 12.555 1.907 0.533 0.831 0.700 0.500 O 1.458 11 residues pruned to eliminate duplicates Z: 11 12.224 1.648 0.558 0.900 1.000 1.000 CB 1.076 Z: 31 22.059 1.873 0.653 0.611 0.933 0.633 CB 1.254 24 residues pruned to eliminate duplicates Z: 9 6.050 1.455 0.845 0.674 0.875 0.500 CB 0.776 Z: 9 5.578 1.654 0.180 0.549 0.750 0.625 CB 1.284 9 residues pruned to eliminate duplicates Z: 9 4.577 1.510 0.118 0.661 0.750 0.625 CB 1.101 6 residues pruned to eliminate duplicates Z: 14 4.875 1.573 0.022 0.360 0.769 0.462 CB 1.270 Z: 6 3.245 1.715 0.297 0.228 0.800 0.200 CB 1.119 Z: 10 4.430 1.659 0.201 0.234 0.889 0.333 CB 1.136 10 residues pruned to eliminate duplicates Z: 6 2.625 1.570 -0.073 0.380 0.800 0.400 CB 1.146 Z: 31 31.142 1.942 1.014 0.749 0.900 0.333 CB 1.293 31 residues pruned to eliminate duplicates Z: 9 5.137 1.728 0.185 0.402 0.875 0.500 CB 1.125 Z: 16 15.279 1.777 0.360 0.769 1.000 0.867 CB 1.286 16 residues pruned to eliminate duplicates Z: 9 4.076 1.607 0.497 0.193 0.750 0.375 N 1.153 9 residues pruned to eliminate duplicates Z: 7 7.072 1.640 0.608 0.851 1.000 0.667 CB 0.810 4 residues pruned to eliminate duplicates Z: 8 4.797 1.533 0.570 0.311 0.857 0.571 N 1.084 Z: 13 18.191 1.833 0.548 0.873 1.000 0.583 O 1.347 13 residues pruned to eliminate duplicates Z: 7 2.256 1.462 0.333 0.404 0.667 0.500 CB 0.784 Z: 14 21.573 1.906 0.730 0.885 1.000 0.846 CB 1.310 13 residues pruned to eliminate duplicates Z: 11 16.159 1.804 0.513 0.896 1.000 0.900 CB 1.341 12 residues pruned to eliminate duplicates Z: 7 4.532 1.690 0.510 0.586 0.833 0.667 CB 0.802 Z: 13 21.189 1.870 0.756 0.894 1.000 0.667 CB 1.337 13 residues pruned to eliminate duplicates Z: 6 5.268 1.602 0.987 0.668 0.800 0.800 CB 0.792 Z: 7 7.669 1.619 0.918 0.724 0.667 0.500 O 1.235 7 residues pruned to eliminate duplicates 9 1.949 1.413 0.512 0.223 0.625 0.375 CB 0.714 ? Z: 6 3.832 1.736 0.317 0.221 0.800 0.600 N 1.298 Z: 8 8.908 1.841 0.497 0.844 0.857 0.857 CB 1.061 8 residues pruned to eliminate duplicates Z: 17 15.408 1.768 0.587 0.821 0.875 0.625 CB 1.187 17 residues pruned to eliminate duplicates Z: 12 3.370 1.521 0.250 0.428 0.727 0.364 CB 0.792 Z: 11 8.651 1.616 0.346 0.814 1.000 0.800 CB 0.957 11 residues pruned to eliminate duplicates Z: 14 21.442 1.833 0.805 0.908 1.000 0.923 CB 1.277 13 residues pruned to eliminate duplicates Z: 6 3.670 1.411 0.139 0.631 0.800 0.800 CA 1.128 Z: 10 5.371 1.786 0.123 0.890 1.000 0.778 CB 0.642 Z: 9 5.847 1.671 0.299 0.358 0.750 0.625 CB 1.481 Z: 11 9.684 1.815 0.449 0.709 1.000 0.700 CB 0.963 Z: 6 2.636 1.591 0.134 0.374 0.600 0.400 CB 1.246 Z: 13 11.034 1.820 0.735 0.498 0.750 0.667 CB 1.348 8 residues pruned to eliminate duplicates Z: 7 6.618 1.620 0.508 0.824 1.000 0.833 CB 0.835 Z: 11 3.944 1.307 0.678 0.309 0.700 0.500 CB 1.005 Z: 16 19.496 1.772 0.669 0.937 1.000 0.933 CB 1.185 17 residues pruned to eliminate duplicates Z: 8 7.984 1.713 0.182 0.487 1.000 0.714 CB 1.509 8 residues pruned to eliminate duplicates Z: 7 6.547 1.837 0.214 0.895 1.000 1.000 CB 0.860 7 residues pruned to eliminate duplicates Z: 16 27.406 1.900 0.907 0.900 1.000 0.800 CB 1.396 16 residues pruned to eliminate duplicates Z: 9 4.746 1.557 0.210 0.510 0.750 0.500 CB 1.175 Z: 9 3.930 1.481 0.216 0.396 0.750 0.375 CB 1.148 9 residues pruned to eliminate duplicates Z: 10 4.814 1.718 0.446 0.786 0.778 0.667 CB 0.646 10 residues pruned to eliminate duplicates Z: 20 7.833 1.733 0.446 0.369 0.737 0.526 CB 1.119 Z: 10 11.367 1.757 0.427 0.854 1.000 0.778 CB 1.116 Z: 20 17.400 1.958 0.587 0.596 0.789 0.684 CB 1.484 26 residues pruned to eliminate duplicates Z: 15 7.985 1.649 0.535 0.324 0.857 0.500 CB 1.194 Z: 8 2.597 1.668 0.511 0.380 0.714 0.429 CB 0.620 8 residues pruned to eliminate duplicates Z: 10 8.389 1.711 0.449 0.852 1.000 0.667 CB 0.834 10 residues pruned to eliminate duplicates Z: 9 10.065 1.736 0.547 0.860 1.000 0.750 CB 0.974 8 residues pruned to eliminate duplicates Z: 10 2.818 1.512 0.511 0.255 0.444 0.222 CB 1.227 Z: 7 4.534 1.564 0.435 0.437 1.000 0.500 O 0.880 Z: 7 8.249 1.746 0.644 0.848 1.000 1.000 CB 0.870 Z: 12 11.718 1.868 0.449 0.736 0.909 0.273 CB 1.162 12 residues pruned to eliminate duplicates Z: 7 7.556 1.502 0.526 0.821 1.000 0.833 O 1.019 Z: 8 6.353 1.791 0.474 0.185 0.857 0.571 N 1.551 4 residues pruned to eliminate duplicates Z: 6 2.690 1.535 0.015 0.337 0.800 0.600 CB 1.154 Z: 15 17.299 1.883 0.408 0.866 1.000 0.786 CB 1.277 15 residues pruned to eliminate duplicates Z: 9 5.561 1.828 0.554 0.443 0.750 0.750 CB 0.979 Z: 8 13.316 1.815 0.466 0.884 1.000 1.000 CB 1.367 Z: 14 16.064 1.761 0.381 0.834 1.000 0.769 CB 1.373 14 residues pruned to eliminate duplicates Z: 20 27.759 1.920 0.763 0.882 1.000 0.789 CB 1.361 20 residues pruned to eliminate duplicates Z: 6 5.266 1.854 0.257 0.866 1.000 0.800 CB 0.740 Z: 11 13.479 1.807 0.680 0.896 1.000 0.700 CB 1.006 11 residues pruned to eliminate duplicates Z: 8 6.959 1.424 0.308 0.694 1.000 0.714 CB 1.183 Z: 11 7.276 1.651 0.459 0.817 0.900 0.900 CB 0.806 11 residues pruned to eliminate duplicates Z: 6 9.090 1.681 1.140 0.405 1.000 0.800 CB 1.249 Z: 9 4.632 1.576 0.244 0.486 0.875 0.625 CB 0.968 7 residues pruned to eliminate duplicates Z: 19 23.687 1.923 0.747 0.869 1.000 0.833 CB 1.214 19 residues pruned to eliminate duplicates Z: 6 2.016 1.419 0.552 0.283 0.800 0.600 CB 0.653 Z: 16 24.203 1.933 0.813 0.882 1.000 0.733 CB 1.290 22 residues pruned to eliminate duplicates Z: 16 16.298 1.873 0.764 0.747 0.867 0.667 CB 1.179 16 residues pruned to eliminate duplicates Z: 14 18.878 1.848 0.671 0.895 1.000 0.692 CB 1.215 14 residues pruned to eliminate duplicates Z: 6 2.756 1.441 0.205 0.581 0.800 0.800 N 0.821 Z: 18 10.696 1.695 0.470 0.856 1.000 0.765 CB 0.768 11 residues pruned to eliminate duplicates Z: 7 6.512 1.830 0.368 0.753 0.833 0.667 CB 1.018 6 residues pruned to eliminate duplicates Z: 9 10.013 1.517 0.642 0.725 0.875 0.625 O 1.326 9 residues pruned to eliminate duplicates Z: 10 6.824 1.607 0.545 0.742 1.000 0.667 CB 0.738 Z: 13 13.821 1.728 0.797 0.862 0.833 0.667 CB 1.131 13 residues pruned to eliminate duplicates Z: 6 5.785 1.754 0.734 0.788 0.800 0.400 CB 0.825 Z: 7 11.726 1.835 1.066 0.794 0.833 0.833 CB 1.171 Z: 6 6.428 1.679 0.716 0.675 0.800 0.400 CB 1.061 6 residues pruned to eliminate duplicates Z: 13 13.879 1.633 0.648 0.906 0.917 0.917 CB 1.155 9 residues pruned to eliminate duplicates Z: 11 7.178 1.439 0.326 0.881 0.900 0.800 CB 0.957 Z: 6 2.773 1.352 0.442 0.291 0.800 0.400 N 1.005 Z: 10 4.886 1.553 0.639 0.527 0.778 0.556 CB 0.801 Z: 6 2.972 1.475 0.551 0.451 0.600 0.400 CB 1.018 Z: 14 4.855 1.531 0.541 0.365 0.615 0.385 CB 1.071 Z: 9 7.452 1.734 0.171 0.464 1.000 0.625 CB 1.346 31 residues pruned to eliminate duplicates Z: 8 7.546 1.638 0.212 0.826 0.857 0.857 CB 1.264 Z: 8 10.189 1.685 0.275 0.891 1.000 0.857 CB 1.288 Z: 11 4.138 1.528 0.176 0.471 0.900 0.600 CB 0.834 11 residues pruned to eliminate duplicates Z: 6 4.636 1.813 0.661 0.801 0.800 0.600 CB 0.662 6 residues pruned to eliminate duplicates Z: 6 3.432 1.517 -0.020 0.620 0.800 0.600 CB 1.153 Z: 8 9.377 1.737 0.405 0.857 1.000 0.714 CB 1.071 8 residues pruned to eliminate duplicates Z: 9 7.976 1.688 0.448 0.815 1.000 0.625 CB 0.877 7 residues pruned to eliminate duplicates Z: 6 5.606 1.834 0.519 0.846 1.000 0.800 CB 0.669 6 residues pruned to eliminate duplicates Z: 9 9.984 1.451 0.604 0.723 1.000 0.500 N 1.240 9 residues pruned to eliminate duplicates Z: 24 9.270 1.727 0.557 0.299 0.739 0.565 CB 1.218 24 residues pruned to eliminate duplicates 6 1.547 1.422 -0.169 0.429 1.000 0.600 CB 0.630 ? Z: 11 5.507 1.399 0.667 0.477 0.800 0.300 CB 0.956 Z: 7 3.632 1.684 0.906 0.371 0.667 0.333 CB 0.796 6 0.936 1.492 -0.107 0.628 0.800 0.600 CB 0.348 ? Z: 10 6.505 1.690 0.521 0.339 0.778 0.333 O 1.292 Z: 12 7.175 1.752 0.340 0.521 0.909 0.545 CB 0.992 Z: 12 11.502 1.536 0.862 0.895 1.000 0.727 CB 0.870 12 residues pruned to eliminate duplicates Z: 8 8.839 1.616 0.919 0.546 0.857 0.857 CB 1.202 7 residues pruned to eliminate duplicates Z: 15 10.247 1.686 0.674 0.417 0.857 0.429 CB 1.234 15 residues pruned to eliminate duplicates Z: 6 2.068 1.394 0.138 0.372 0.800 0.600 CB 0.835 Z: 11 7.438 1.534 1.045 0.387 0.800 0.400 CB 1.057 Z: 12 14.673 1.928 0.672 0.781 0.909 0.727 CB 1.178 12 residues pruned to eliminate duplicates Z: 17 9.559 1.861 0.344 0.518 0.875 0.375 CB 1.073 17 residues pruned to eliminate duplicates Z: 8 13.434 1.644 0.861 0.755 1.000 0.714 O 1.323 6 residues pruned to eliminate duplicates Z: 8 3.510 1.512 0.751 0.339 0.714 0.429 CB 0.836 Z: 9 9.365 1.645 0.458 0.806 1.000 0.625 O 1.057 Z: 12 6.995 1.595 0.418 0.448 0.909 0.636 CB 1.082 12 residues pruned to eliminate duplicates Z: 7 6.461 1.618 0.512 0.676 0.833 0.667 CB 1.100 7 residues pruned to eliminate duplicates Z: 17 10.814 1.604 0.881 0.426 0.875 0.375 N 1.106 17 residues pruned to eliminate duplicates Z: 11 4.901 1.518 0.516 0.299 0.700 0.200 CB 1.205 Z: 10 10.361 1.957 0.623 0.486 0.889 0.556 CB 1.240 13 residues pruned to eliminate duplicates Z: 9 8.659 1.770 0.664 0.684 0.750 0.625 CB 1.170 9 residues pruned to eliminate duplicates Z: 12 13.697 1.719 0.768 0.884 0.909 0.818 CB 1.080 12 residues pruned to eliminate duplicates 6 0.754 1.458 -0.046 0.235 0.400 0.200 CB 0.825 ? Z: 6 5.884 1.769 0.294 0.777 0.800 0.800 CB 1.125 Z: 11 5.630 1.630 -0.024 0.438 1.000 0.600 CB 1.193 11 residues pruned to eliminate duplicates Z: 7 2.272 1.763 -0.117 0.879 1.000 1.000 CB 0.432 7 residues pruned to eliminate duplicates Z: 8 2.994 1.545 0.200 0.329 0.857 0.429 CB 0.859 Z: 10 6.681 1.582 0.457 0.764 0.889 0.778 CB 0.860 7 residues pruned to eliminate duplicates Z: 14 15.561 1.825 0.735 0.802 0.923 0.769 CB 1.134 14 residues pruned to eliminate duplicates Z: 19 6.707 1.707 0.321 0.395 0.611 0.333 CB 1.282 7 residues pruned to eliminate duplicates 8 1.989 1.636 0.714 0.253 0.571 0.571 CB 0.623 ? Z: 7 4.816 1.670 0.178 0.737 0.833 0.500 CB 0.969 9 residues pruned to eliminate duplicates Z: 14 6.712 1.753 0.652 0.277 0.692 0.308 N 1.195 14 residues pruned to eliminate duplicates Z: 6 4.791 1.633 0.737 0.771 0.800 0.400 CB 0.743 6 residues pruned to eliminate duplicates Z: 17 16.069 1.787 0.673 0.673 0.875 0.688 CB 1.310 17 residues pruned to eliminate duplicates Z: 13 5.006 1.612 0.396 0.387 0.667 0.333 CB 1.086 9 residues pruned to eliminate duplicates Z: 8 2.652 1.543 0.247 0.379 0.571 0.429 CB 1.037 Z: 13 5.843 1.619 0.672 0.381 0.667 0.333 CB 1.061 12 residues pruned to eliminate duplicates Z: 6 9.397 1.525 1.021 0.846 1.000 1.000 N 1.013 Z: 9 2.222 1.493 0.418 0.171 0.750 0.625 CB 0.737 Z: 7 3.009 1.322 0.650 0.306 0.833 0.500 CB 0.838 6 residues pruned to eliminate duplicates Z: 13 12.581 1.900 0.391 0.775 0.833 0.667 O 1.293 13 residues pruned to eliminate duplicates Z: 8 3.607 1.668 0.251 0.455 0.714 0.429 CB 0.958 Z: 17 12.061 1.729 0.689 0.836 0.938 0.625 CB 0.825 17 residues pruned to eliminate duplicates Z: 13 16.716 1.768 0.709 0.846 0.917 0.667 CB 1.295 13 residues pruned to eliminate duplicates Z: 16 13.409 1.838 0.446 0.887 0.933 0.867 CB 1.006 16 residues pruned to eliminate duplicates Z: 7 4.694 1.560 0.726 0.242 0.833 0.500 CB 1.150 7 residues pruned to eliminate duplicates Z: 8 8.636 1.745 0.425 0.547 1.000 0.714 CB 1.254 8 residues pruned to eliminate duplicates Z: 6 7.574 1.707 0.688 0.769 0.800 0.600 CB 1.158 5 residues pruned to eliminate duplicates Z: 7 6.327 1.691 0.598 0.439 0.833 0.500 CB 1.221 Z: 6 4.734 1.712 0.081 0.527 1.000 1.000 CB 1.113 6 residues pruned to eliminate duplicates Z: 10 15.876 1.825 0.713 0.883 1.000 0.889 CB 1.224 10 residues pruned to eliminate duplicates Z: 8 11.011 1.656 0.731 0.868 1.000 0.857 CB 1.061 Z: 16 11.278 1.762 0.776 0.692 0.867 0.400 CB 0.901 16 residues pruned to eliminate duplicates Z: 6 4.160 1.509 0.252 0.505 0.800 0.600 CA 1.224 Z: 18 4.215 1.444 0.733 0.252 0.588 0.471 CB 0.924 12 residues pruned to eliminate duplicates Z: 12 7.212 1.900 0.383 0.756 0.818 0.727 CB 0.806 18 residues pruned to eliminate duplicates Z: 9 9.120 1.727 0.542 0.862 0.750 0.750 CB 1.185 25 residues pruned to eliminate duplicates Z: 7 5.901 1.663 0.929 0.621 0.833 0.833 CB 0.804 8 residues pruned to eliminate duplicates Z: 9 3.785 1.490 0.324 0.467 0.625 0.500 N 1.123 Z: 10 7.465 1.536 0.447 0.579 1.000 0.667 CB 1.038 6 residues pruned to eliminate duplicates Z: 7 6.532 1.667 0.913 0.809 1.000 1.000 CB 0.639 Z: 17 18.483 1.891 0.813 0.789 0.875 0.500 CB 1.196 17 residues pruned to eliminate duplicates Z: 11 4.617 1.637 0.250 0.535 0.900 0.500 CB 0.766 6 residues pruned to eliminate duplicates Z: 15 18.986 1.787 0.578 0.896 1.000 0.857 CB 1.289 14 residues pruned to eliminate duplicates Z: 9 4.091 1.542 0.286 0.426 0.750 0.625 CB 1.051 Z: 9 8.182 1.456 0.913 0.699 0.875 0.625 CB 0.990 Z: 9 8.069 1.611 0.357 0.822 0.875 0.500 CB 1.128 9 residues pruned to eliminate duplicates Z: 16 9.062 1.677 0.687 0.401 0.867 0.667 CB 1.059 10 residues pruned to eliminate duplicates Z: 8 2.484 1.397 0.544 0.345 0.857 0.286 CB 0.601 Z: 8 8.263 1.638 0.862 0.477 0.857 0.857 CB 1.223 8 residues pruned to eliminate duplicates Z: 7 10.050 1.656 0.741 0.684 0.833 0.500 N 1.443 7 residues pruned to eliminate duplicates Z: 16 22.265 1.867 0.808 0.916 1.000 0.933 CB 1.203 16 residues pruned to eliminate duplicates Z: 12 11.939 1.622 0.506 0.703 0.909 0.636 O 1.348 Z: 9 4.832 1.594 0.337 0.558 0.875 0.500 CB 0.866 9 residues pruned to eliminate duplicates Z: 6 5.962 1.647 0.339 0.609 0.800 0.800 N 1.362 Z: 8 2.285 1.485 0.017 0.208 0.714 0.571 N 1.131 8 residues pruned to eliminate duplicates Z: 12 4.771 1.452 0.359 0.283 0.818 0.364 N 1.138 9 residues pruned to eliminate duplicates Z: 7 2.092 1.614 0.390 0.432 0.500 0.333 CB 0.817 Z: 9 4.340 1.527 0.354 0.260 0.875 0.375 N 1.115 Z: 10 7.587 1.608 0.152 0.818 0.889 0.556 CB 1.165 10 residues pruned to eliminate duplicates Z: 12 19.588 1.958 0.681 0.812 1.000 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 12 16.017 1.851 0.577 0.653 1.000 0.545 CB 1.435 12 residues pruned to eliminate duplicates Z: 7 3.513 1.585 -0.167 0.409 1.000 0.667 N 1.195 Z: 15 12.321 1.623 0.517 0.886 1.000 0.714 CB 0.964 17 residues pruned to eliminate duplicates Z: 6 2.489 1.399 0.523 0.419 0.800 0.600 CB 0.710 Z: 12 6.351 1.818 0.331 0.760 0.909 0.727 CB 0.691 12 residues pruned to eliminate duplicates Z: 25 5.911 1.509 0.330 0.296 0.833 0.500 CB 0.905 25 residues pruned to eliminate duplicates Z: 7 4.806 1.519 0.624 0.861 1.000 0.833 CB 0.584 Z: 7 6.434 1.676 0.442 0.781 1.000 0.833 CB 0.849 7 residues pruned to eliminate duplicates Z: 9 2.745 1.301 0.459 0.268 0.625 0.375 O 1.064 Z: 7 3.268 1.218 0.706 0.416 0.833 0.667 N 0.841 Z: 12 5.848 1.543 0.576 0.281 0.727 0.455 N 1.276 6 1.814 1.387 0.238 0.870 1.000 0.800 CB 0.345 ? 6 1.927 1.572 -0.043 0.458 0.800 0.600 CB 0.747 ? Z: 12 13.371 1.816 0.708 0.860 0.909 0.727 CB 1.052 13 residues pruned to eliminate duplicates Z: 8 5.399 1.744 0.314 0.599 0.857 0.857 CB 0.945 8 residues pruned to eliminate duplicates Z: 7 3.000 1.472 0.193 0.362 0.833 0.333 N 0.971 Z: 8 10.438 1.681 0.583 0.794 0.857 0.714 CB 1.337 8 residues pruned to eliminate duplicates Z: 7 2.303 1.301 0.540 0.377 0.667 0.500 O 0.803 Z: 21 9.640 1.655 0.390 0.447 0.800 0.500 CB 1.238 20 residues pruned to eliminate duplicates Z: 8 3.547 1.496 0.415 0.247 0.714 0.429 CB 1.186 6 1.922 1.344 0.165 0.540 0.800 0.400 N 0.660 ? Z: 10 7.411 1.471 0.455 0.724 1.000 0.778 CB 0.943 Z: 6 4.429 1.540 0.463 0.400 0.800 0.600 N 1.220 Z: 6 2.871 1.501 0.067 0.660 0.800 0.600 CB 0.864 Z: 11 3.676 1.793 0.076 0.130 0.800 0.400 CB 1.194 11 residues pruned to eliminate duplicates Z: 6 10.411 1.842 0.383 0.776 1.000 0.600 CB 1.431 Z: 6 4.945 1.620 0.257 0.550 1.000 0.600 CB 1.034 Z: 19 8.812 1.641 0.348 0.397 0.889 0.333 CB 1.177 19 residues pruned to eliminate duplicates Z: 13 3.666 1.486 0.243 0.369 0.750 0.417 CB 0.880 13 residues pruned to eliminate duplicates Z: 10 6.827 1.734 0.825 0.331 0.667 0.333 CB 1.297 Z: 11 10.462 1.796 0.376 0.836 0.700 0.500 CB 1.433 11 residues pruned to eliminate duplicates Z: 8 8.241 1.740 0.409 0.608 0.857 0.714 CB 1.338 8 residues pruned to eliminate duplicates 7 1.890 1.154 0.384 0.403 0.667 0.500 N 0.802 ? Z: 16 11.253 1.763 0.400 0.464 0.933 0.667 O 1.309 12 residues pruned to eliminate duplicates Z: 30 15.960 1.756 0.572 0.521 0.897 0.483 CB 1.172 32 residues pruned to eliminate duplicates Z: 7 5.524 1.369 0.119 0.705 1.000 0.667 C 1.221 Z: 7 7.590 1.768 0.464 0.878 1.000 1.000 CB 0.869 7 residues pruned to eliminate duplicates Z: 15 4.588 1.586 0.155 0.492 0.714 0.500 CB 0.945 15 residues pruned to eliminate duplicates Z: 8 6.036 1.841 0.433 0.331 0.714 0.714 N 1.457 8 residues pruned to eliminate duplicates 6 1.650 1.563 0.556 0.411 0.600 0.600 CB 0.555 ? Z: 6 3.182 1.577 0.321 0.478 0.600 0.200 CB 1.163 6 residues pruned to eliminate duplicates Z: 7 8.667 1.509 0.467 0.849 1.000 1.000 O 1.185 Z: 19 6.498 1.774 0.126 0.241 0.778 0.389 CB 1.330 Z: 9 13.080 1.723 0.632 0.800 1.000 0.750 CB 1.265 9 residues pruned to eliminate duplicates Z: 8 5.742 1.749 0.701 0.571 0.714 0.571 CB 0.954 Z: 6 4.316 1.729 -0.225 0.631 1.000 0.800 CB 1.273 Z: 7 5.671 1.407 0.471 0.859 1.000 1.000 CB 0.823 7 residues pruned to eliminate duplicates Z: 6 3.362 1.428 0.105 0.692 0.800 0.600 N 0.999 Z: 42 16.551 1.838 0.641 0.316 0.854 0.488 CB 1.230 32 residues pruned to eliminate duplicates Z: 7 2.670 1.343 0.272 0.356 0.833 0.333 O 0.895 Z: 11 7.014 1.450 0.732 0.805 0.800 0.700 CB 0.846 8 residues pruned to eliminate duplicates Z: 8 2.309 1.402 0.259 0.351 0.714 0.571 CB 0.814 Z: 6 2.710 1.144 0.396 0.564 0.800 0.400 C 0.891 Z: 8 5.657 1.625 0.296 0.549 1.000 0.857 CB 0.968 7 residues pruned to eliminate duplicates Z: 8 11.010 1.785 0.437 0.854 0.857 0.714 CB 1.398 8 residues pruned to eliminate duplicates Z: 8 2.101 1.330 0.400 0.209 0.571 0.429 O 1.052 Z: 9 3.927 1.636 0.706 0.293 0.625 0.250 CB 1.004 Z: 6 2.894 1.643 0.193 0.367 0.600 0.600 CB 1.270 Z: 7 7.598 1.738 0.242 0.869 1.000 1.000 CB 1.050 7 residues pruned to eliminate duplicates Z: 12 5.566 1.529 0.255 0.509 0.818 0.545 CB 1.059 12 residues pruned to eliminate duplicates Z: 11 10.526 1.662 0.677 0.739 0.900 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 13 5.801 1.662 0.403 0.345 0.750 0.500 CB 1.133 13 residues pruned to eliminate duplicates Z: 7 4.657 1.753 0.218 0.618 0.833 0.333 CB 0.956 7 residues pruned to eliminate duplicates Z: 12 4.484 1.300 0.472 0.392 0.818 0.364 N 0.968 Z: 11 13.325 1.604 0.855 0.791 0.900 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 7 4.704 1.504 0.321 0.536 1.000 0.833 CB 0.933 7 residues pruned to eliminate duplicates Z: 10 3.417 1.425 0.490 0.231 0.667 0.556 O 1.101 Z: 7 2.785 1.364 0.167 0.311 0.833 0.333 CB 1.057 Z: 7 12.255 1.724 0.970 0.670 0.833 0.667 CB 1.510 7 residues pruned to eliminate duplicates Z: 8 3.420 1.556 -0.064 0.425 0.857 0.286 CB 1.119 Z: 11 5.995 1.529 0.200 0.666 0.900 0.600 CB 0.984 11 residues pruned to eliminate duplicates Z: 8 10.658 1.968 0.773 0.751 0.857 0.571 CB 1.077 8 residues pruned to eliminate duplicates Z: 11 4.784 1.573 0.325 0.646 0.800 0.600 CB 0.792 7 residues pruned to eliminate duplicates Z: 9 3.453 1.497 0.095 0.505 0.750 0.500 CB 0.989 9 residues pruned to eliminate duplicates Z: 15 7.684 1.833 0.506 0.450 0.786 0.500 CB 0.997 21 residues pruned to eliminate duplicates Z: 14 8.935 1.592 0.431 0.836 0.846 0.769 CB 0.962 14 residues pruned to eliminate duplicates Z: 19 11.614 1.704 0.448 0.553 0.778 0.500 CB 1.355 10 residues pruned to eliminate duplicates Z: 14 6.422 1.620 0.365 0.399 0.769 0.538 CB 1.164 18 residues pruned to eliminate duplicates Z: 17 7.391 1.868 0.259 0.561 0.812 0.500 CB 0.912 Z: 7 4.070 1.497 1.006 0.579 0.833 0.667 CB 0.615 Z: 7 2.402 1.631 -0.084 0.322 0.833 0.667 CB 0.959 Z: 18 11.374 1.788 0.626 0.458 0.706 0.353 N 1.404 18 residues pruned to eliminate duplicates 6 1.353 1.365 -0.135 0.358 0.800 0.400 N 0.748 ? Z: 8 3.005 1.362 0.363 0.324 0.714 0.571 CB 1.039 Z: 6 2.691 1.267 -0.010 0.714 1.000 0.800 CB 0.791 Z: 11 4.564 1.535 0.066 0.435 0.900 0.700 CB 1.048 11 residues pruned to eliminate duplicates Z: 7 3.125 1.489 0.306 0.394 0.833 0.333 CB 0.881 7 residues pruned to eliminate duplicates Z: 16 17.436 1.744 1.082 0.872 0.733 0.333 CB 1.233 16 residues pruned to eliminate duplicates Z: 8 2.621 1.316 0.240 0.283 0.857 0.714 CB 0.905 Z: 13 4.116 1.617 0.537 0.263 0.667 0.333 CB 0.940 13 residues pruned to eliminate duplicates Z: 15 16.464 1.807 0.569 0.760 0.857 0.429 CB 1.437 15 residues pruned to eliminate duplicates Z: 7 9.537 1.780 0.234 0.786 1.000 0.833 CB 1.379 8 residues pruned to eliminate duplicates Z: 21 25.370 1.888 0.653 0.855 1.000 0.650 CB 1.342 21 residues pruned to eliminate duplicates Z: 18 7.414 1.653 0.774 0.679 0.882 0.647 CB 0.590 28 residues pruned to eliminate duplicates Z: 9 3.055 1.553 0.422 0.784 0.750 0.500 CB 0.508 Z: 8 7.890 1.628 0.251 0.592 1.000 0.714 CB 1.340 8 residues pruned to eliminate duplicates Z: 8 5.649 1.463 0.349 0.844 1.000 0.571 CB 0.805 6 residues pruned to eliminate duplicates Z: 11 2.568 1.474 0.401 0.192 0.600 0.200 CB 0.947 Z: 8 6.298 1.513 0.460 0.787 1.000 0.857 CB 0.837 Z: 10 7.228 1.590 0.444 0.384 0.889 0.333 N 1.335 8 residues pruned to eliminate duplicates Z: 10 8.007 1.673 0.615 0.889 0.889 0.333 CB 0.800 10 residues pruned to eliminate duplicates Z: 44 23.238 1.908 0.715 0.541 0.884 0.558 CB 1.177 68 residues pruned to eliminate duplicates Z: 11 7.060 1.753 0.529 0.541 0.900 0.700 CB 0.889 11 residues pruned to eliminate duplicates Z: 7 3.033 1.564 0.146 0.357 0.667 0.333 CB 1.209 Z: 7 3.554 1.136 0.808 0.533 0.833 0.667 N 0.821 Z: 7 3.364 1.688 0.715 0.832 1.000 1.000 CB 0.356 Z: 6 2.620 1.774 0.795 0.822 1.000 0.800 CB 0.278 Z: 7 4.395 1.709 0.617 0.342 0.667 0.500 N 1.157 Z: 14 8.069 1.764 0.356 0.417 0.692 0.308 CB 1.474 14 residues pruned to eliminate duplicates Z: 6 3.438 1.421 0.541 0.490 0.800 0.600 CB 0.887 Z: 10 5.425 1.663 0.602 0.486 0.778 0.444 CB 0.885 7 residues pruned to eliminate duplicates Z: 7 2.665 1.483 0.311 0.288 0.833 0.500 N 0.852 6 residues pruned to eliminate duplicates 6 1.921 1.371 0.169 0.514 1.000 0.800 CB 0.529 ? Z: 9 4.211 1.471 0.042 0.536 0.875 0.750 CB 1.071 Z: 6 6.185 1.717 0.195 0.762 1.000 0.600 CB 1.068 8 residues pruned to eliminate duplicates Z: 7 4.987 1.592 0.276 0.375 0.833 0.667 O 1.375 Z: 8 4.122 1.577 0.221 0.793 1.000 0.714 CB 0.626 Z: 9 7.632 1.637 0.501 0.898 1.000 0.625 CB 0.785 6 residues pruned to eliminate duplicates Z: 9 8.059 1.362 0.515 0.841 1.000 0.750 O 1.030 Z: 26 9.920 1.812 0.372 0.367 0.880 0.520 CB 1.046 34 residues pruned to eliminate duplicates Z: 7 4.233 1.707 0.808 0.314 0.500 0.500 CB 1.376 Z: 16 6.562 1.478 0.271 0.604 0.800 0.667 CB 1.021 15 residues pruned to eliminate duplicates Z: 6 2.075 1.445 0.259 0.271 0.600 0.400 CB 1.102 Z: 6 5.880 1.649 0.139 0.465 1.000 0.600 N 1.451 6 residues pruned to eliminate duplicates Z: 6 7.753 1.633 0.999 0.565 0.800 0.600 N 1.247 Using tripeptides from previous cycle as seeds Z: 8 4.209 1.698 0.318 0.619 0.714 0.714 CB 0.890 8 residues pruned to eliminate duplicates Z: 6 5.649 1.892 0.358 0.655 0.800 0.600 CB 1.064 6 residues pruned to eliminate duplicates Z: 7 4.528 1.690 0.559 0.706 0.667 0.667 CB 0.872 8 residues pruned to eliminate duplicates Z: 6 9.304 1.899 0.521 0.877 1.000 1.000 CB 1.046 9 residues pruned to eliminate duplicates Z: 9 12.378 1.765 0.437 0.907 1.000 0.875 CB 1.226 9 residues pruned to eliminate duplicates Z: 9 10.088 1.759 0.168 0.854 1.000 0.875 CB 1.283 9 residues pruned to eliminate duplicates Z: 10 10.017 1.726 0.189 0.741 1.000 0.778 O 1.311 10 residues pruned to eliminate duplicates Z: 11 7.936 1.659 0.305 0.628 0.800 0.700 O 1.285 11 residues pruned to eliminate duplicates Z: 10 10.285 1.728 0.485 0.769 0.889 0.667 CB 1.184 10 residues pruned to eliminate duplicates Z: 12 8.761 1.689 0.339 0.628 0.909 0.636 CB 1.139 12 residues pruned to eliminate duplicates Z: 28 10.086 1.654 0.460 0.448 0.852 0.370 CB 0.995 10 residues pruned to eliminate duplicates Z: 7 8.161 1.703 0.571 0.693 0.833 0.833 CB 1.253 Z: 6 6.033 1.775 0.286 0.791 1.000 0.600 CB 0.916 6 residues pruned to eliminate duplicates Z: 6 6.193 1.841 0.352 0.652 1.000 0.800 CB 0.966 6 residues pruned to eliminate duplicates Z: 8 5.936 1.818 0.433 0.608 0.857 0.429 CB 0.906 8 residues pruned to eliminate duplicates Z: 10 6.668 1.636 0.444 0.418 0.778 0.333 N 1.318 10 residues pruned to eliminate duplicates Z: 10 10.415 1.669 0.507 0.866 0.889 0.667 CB 1.138 8 residues pruned to eliminate duplicates Z: 10 11.887 1.666 0.595 0.824 1.000 0.889 CB 1.127 10 residues pruned to eliminate duplicates Z: 10 9.637 1.621 0.468 0.829 1.000 0.667 CB 1.015 10 residues pruned to eliminate duplicates Z: 9 7.979 1.646 0.274 0.742 1.000 0.750 CB 1.083 9 residues pruned to eliminate duplicates Z: 8 8.824 1.762 0.410 0.810 1.000 0.571 CB 1.025 8 residues pruned to eliminate duplicates Z: 8 9.642 1.765 0.441 0.843 1.000 1.000 CB 1.067 8 residues pruned to eliminate duplicates Z: 12 8.768 1.641 0.337 0.734 0.909 0.727 CB 1.074 12 residues pruned to eliminate duplicates 7 1.877 1.377 0.511 0.364 0.500 0.500 CB 0.852 ? Z: 12 3.330 1.453 0.048 0.346 0.727 0.182 CB 1.072 10 residues pruned to eliminate duplicates Z: 11 5.843 1.441 0.404 0.815 0.700 0.600 CB 0.992 11 residues pruned to eliminate duplicates Z: 7 3.622 1.466 0.217 0.568 0.833 0.333 CB 0.930 7 residues pruned to eliminate duplicates Z: 7 4.371 1.487 0.332 0.694 1.000 0.667 CB 0.754 7 residues pruned to eliminate duplicates Z: 6 3.671 1.413 0.178 0.754 1.000 0.800 CB 0.786 6 residues pruned to eliminate duplicates Z: 10 7.551 1.973 0.382 0.340 0.778 0.444 CB 1.413 10 residues pruned to eliminate duplicates Z: 21 13.017 1.905 0.436 0.374 0.800 0.450 CB 1.521 21 residues pruned to eliminate duplicates Z: 8 9.851 1.926 0.633 0.549 0.857 0.857 O 1.316 8 residues pruned to eliminate duplicates Z: 16 8.289 1.794 0.212 0.297 0.933 0.267 CB 1.323 28 residues pruned to eliminate duplicates Z: 21 15.080 1.968 0.330 0.571 0.900 0.450 CB 1.337 21 residues pruned to eliminate duplicates Z: 12 12.337 1.953 0.366 0.518 0.909 0.364 CB 1.507 12 residues pruned to eliminate duplicates Z: 9 11.528 2.052 0.444 0.652 0.875 0.625 CB 1.364 9 residues pruned to eliminate duplicates Z: 15 8.107 1.860 0.615 0.372 0.714 0.357 CB 1.159 15 residues pruned to eliminate duplicates Z: 26 14.140 1.897 0.530 0.465 0.720 0.520 CB 1.402 26 residues pruned to eliminate duplicates Z: 31 15.866 1.897 0.700 0.415 0.700 0.400 CB 1.402 31 residues pruned to eliminate duplicates Z: 14 7.709 1.870 0.368 0.455 0.769 0.462 CB 1.138 14 residues pruned to eliminate duplicates Z: 10 9.080 1.696 0.223 0.695 1.000 1.000 CB 1.221 10 residues pruned to eliminate duplicates Z: 10 8.075 1.657 0.222 0.632 0.889 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 9 8.742 1.618 0.431 0.629 1.000 0.750 CB 1.182 9 residues pruned to eliminate duplicates Z: 12 8.554 1.650 0.268 0.685 0.909 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 13 6.522 1.478 0.399 0.593 0.833 0.667 CB 0.999 13 residues pruned to eliminate duplicates Z: 8 8.676 1.770 0.393 0.772 0.857 0.714 CB 1.220 8 residues pruned to eliminate duplicates Z: 7 11.425 1.568 1.060 0.819 0.833 0.667 CB 1.314 9 residues pruned to eliminate duplicates Z: 10 6.693 1.355 0.736 0.854 0.889 0.556 CB 0.788 9 residues pruned to eliminate duplicates Z: 6 5.523 1.630 0.580 0.795 0.600 0.400 CB 1.234 6 residues pruned to eliminate duplicates Z: 12 6.745 1.469 0.594 0.497 0.818 0.364 CB 1.065 8 residues pruned to eliminate duplicates Z: 7 9.429 1.578 0.844 0.611 1.000 0.500 O 1.191 Z: 6 7.351 1.674 1.014 0.655 0.800 0.400 O 1.055 6 residues pruned to eliminate duplicates Z: 6 11.388 1.648 0.836 0.828 1.000 0.400 CB 1.268 12 residues pruned to eliminate duplicates Z: 9 5.256 1.370 0.925 0.632 0.750 0.500 CB 0.830 9 residues pruned to eliminate duplicates Z: 7 3.302 1.597 0.164 0.382 0.667 0.167 CB 1.233 7 residues pruned to eliminate duplicates Z: 9 3.405 1.580 0.257 0.424 0.625 0.375 CB 1.049 7 residues pruned to eliminate duplicates 6 1.078 1.340 -0.311 0.465 1.000 0.800 CB 0.542 ? Z: 7 3.814 1.450 0.352 0.687 1.000 0.333 CB 0.669 6 1.283 1.704 -0.215 0.207 0.600 0.200 CB 1.011 ? Z: 6 4.160 1.472 0.627 0.376 0.800 0.600 O 1.109 Z: 6 3.979 1.287 0.747 0.580 1.000 0.600 N 0.733 Z: 7 5.611 1.601 0.240 0.660 1.000 0.667 CB 0.995 7 residues pruned to eliminate duplicates Z: 9 6.315 1.607 0.437 0.414 0.875 0.500 N 1.210 9 residues pruned to eliminate duplicates Z: 10 3.012 1.613 0.036 0.282 0.667 0.222 N 1.154 10 residues pruned to eliminate duplicates Z: 10 5.213 1.623 0.292 0.445 0.778 0.556 CB 1.127 10 residues pruned to eliminate duplicates Z: 14 6.668 1.599 0.476 0.459 0.692 0.385 CB 1.180 14 residues pruned to eliminate duplicates Z: 19 5.394 1.400 0.449 0.334 0.722 0.222 CB 1.040 18 residues pruned to eliminate duplicates Z: 7 6.976 1.545 0.634 0.683 1.000 0.833 CB 0.953 7 residues pruned to eliminate duplicates Z: 14 7.006 1.775 0.374 0.189 0.846 0.385 CB 1.367 8 1.866 1.295 0.210 0.331 0.857 0.429 CB 0.632 ? Z: 21 23.599 1.762 0.722 0.761 1.000 0.850 CB 1.380 6 residues pruned to eliminate duplicates Z: 19 24.153 1.915 0.638 0.786 0.944 0.833 CB 1.494 19 residues pruned to eliminate duplicates Z: 24 20.596 1.828 0.641 0.538 0.957 0.565 CB 1.443 23 residues pruned to eliminate duplicates Z: 15 20.612 1.814 0.526 0.840 1.000 0.786 O 1.485 15 residues pruned to eliminate duplicates Z: 23 17.327 1.838 0.567 0.552 0.818 0.636 CB 1.490 23 residues pruned to eliminate duplicates Z: 23 17.613 1.860 0.506 0.527 0.864 0.591 CB 1.512 24 residues pruned to eliminate duplicates Z: 18 22.958 1.882 0.823 0.814 0.824 0.706 CB 1.500 18 residues pruned to eliminate duplicates Z: 24 20.780 1.877 0.520 0.582 0.957 0.565 CB 1.468 24 residues pruned to eliminate duplicates Z: 26 21.974 1.877 0.498 0.633 1.000 0.760 CB 1.379 26 residues pruned to eliminate duplicates Z: 30 17.227 1.844 0.551 0.494 0.759 0.483 CB 1.483 30 residues pruned to eliminate duplicates Z: 22 18.749 1.895 0.445 0.549 0.952 0.619 CB 1.495 22 residues pruned to eliminate duplicates Z: 20 17.314 1.919 0.590 0.542 0.842 0.684 CB 1.484 20 residues pruned to eliminate duplicates Z: 29 19.395 1.818 0.575 0.555 0.929 0.643 CB 1.306 29 residues pruned to eliminate duplicates Z: 26 21.861 1.845 0.530 0.597 0.960 0.680 CB 1.472 26 residues pruned to eliminate duplicates Z: 25 18.615 1.846 0.607 0.603 0.917 0.542 CB 1.267 25 residues pruned to eliminate duplicates Z: 30 20.540 1.760 0.656 0.543 0.862 0.759 CB 1.455 30 residues pruned to eliminate duplicates Z: 21 15.893 1.698 0.561 0.631 0.850 0.600 CB 1.394 18 residues pruned to eliminate duplicates Z: 10 15.575 1.978 0.767 0.840 1.000 0.778 CB 1.109 27 residues pruned to eliminate duplicates Z: 12 11.692 1.882 0.488 0.897 1.000 0.818 CB 0.901 10 residues pruned to eliminate duplicates Z: 11 12.191 1.882 0.494 0.888 1.000 1.000 CB 0.988 11 residues pruned to eliminate duplicates Z: 11 8.525 1.660 0.771 0.641 0.700 0.500 N 1.149 9 residues pruned to eliminate duplicates Z: 12 12.293 1.893 0.557 0.830 0.909 0.818 CB 1.040 12 residues pruned to eliminate duplicates Z: 12 11.956 1.877 0.399 0.785 0.909 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 12 9.418 1.764 0.230 0.636 0.909 0.636 CB 1.267 12 residues pruned to eliminate duplicates Z: 17 10.345 1.861 0.292 0.642 0.812 0.750 CB 1.160 17 residues pruned to eliminate duplicates Z: 20 9.787 1.833 0.477 0.348 0.789 0.316 CB 1.239 20 residues pruned to eliminate duplicates Z: 24 11.349 1.786 0.525 0.412 0.739 0.435 CB 1.289 14 residues pruned to eliminate duplicates Z: 21 14.163 1.733 0.562 0.720 0.750 0.500 CB 1.279 22 residues pruned to eliminate duplicates Z: 8 5.174 1.630 0.639 0.552 0.571 0.143 O 1.218 8 residues pruned to eliminate duplicates Z: 18 7.068 1.755 0.676 0.525 0.529 0.235 N 1.074 18 residues pruned to eliminate duplicates Z: 31 18.951 1.821 0.691 0.665 0.933 0.700 CB 1.034 54 residues pruned to eliminate duplicates Z: 8 10.033 1.811 0.753 0.509 0.857 0.429 CB 1.382 Z: 9 14.886 1.782 0.770 0.742 0.875 0.500 CB 1.534 8 residues pruned to eliminate duplicates Z: 9 10.174 1.663 0.634 0.701 1.000 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 16 11.423 1.793 0.435 0.553 0.867 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 10 11.331 1.785 0.448 0.694 1.000 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 18 14.410 1.837 0.738 0.636 0.824 0.588 CB 1.170 18 residues pruned to eliminate duplicates Z: 17 18.006 1.811 0.610 0.686 1.000 0.750 CB 1.302 17 residues pruned to eliminate duplicates Z: 16 19.598 1.854 0.548 0.850 0.933 0.867 CB 1.400 16 residues pruned to eliminate duplicates Z: 19 13.428 1.868 0.541 0.591 0.722 0.611 CB 1.395 19 residues pruned to eliminate duplicates Z: 14 22.420 1.928 0.706 0.920 1.000 1.000 CB 1.332 14 residues pruned to eliminate duplicates Z: 18 15.520 1.714 0.536 0.739 0.941 0.765 CB 1.227 18 residues pruned to eliminate duplicates Z: 15 16.253 1.795 0.792 0.760 0.929 0.714 CB 1.155 15 residues pruned to eliminate duplicates Z: 15 21.852 1.898 0.705 0.921 1.000 0.714 CB 1.271 16 residues pruned to eliminate duplicates Z: 13 21.510 1.925 0.810 0.877 0.917 0.833 CB 1.411 13 residues pruned to eliminate duplicates Z: 14 23.805 1.912 0.825 0.879 1.000 0.846 CB 1.371 14 residues pruned to eliminate duplicates Z: 18 16.741 1.748 0.702 0.721 0.941 0.647 CB 1.188 18 residues pruned to eliminate duplicates Z: 15 22.512 1.927 0.631 0.908 1.000 1.000 CB 1.360 15 residues pruned to eliminate duplicates Z: 15 23.061 1.911 0.717 0.835 1.000 0.929 CB 1.407 15 residues pruned to eliminate duplicates Z: 9 12.780 2.019 0.550 0.782 0.875 0.875 O 1.288 9 residues pruned to eliminate duplicates Z: 9 12.137 1.908 0.572 0.537 0.875 0.500 O 1.576 9 residues pruned to eliminate duplicates Z: 19 9.646 1.795 0.724 0.504 0.833 0.556 CB 0.879 19 residues pruned to eliminate duplicates Z: 36 20.125 1.925 0.624 0.420 0.829 0.514 CB 1.428 36 residues pruned to eliminate duplicates Z: 29 21.362 1.937 0.842 0.558 0.750 0.464 CB 1.426 29 residues pruned to eliminate duplicates Z: 14 19.607 1.895 0.893 0.753 0.846 0.462 CB 1.429 14 residues pruned to eliminate duplicates Z: 20 19.267 1.788 0.948 0.668 0.895 0.632 CB 1.215 20 residues pruned to eliminate duplicates Z: 18 27.020 1.934 0.923 0.765 0.941 0.647 CB 1.480 18 residues pruned to eliminate duplicates Z: 15 22.874 1.863 0.979 0.726 1.000 0.357 CB 1.352 15 residues pruned to eliminate duplicates Z: 16 19.824 1.825 0.858 0.768 0.867 0.467 N 1.374 16 residues pruned to eliminate duplicates Z: 14 15.558 1.869 0.953 0.599 0.846 0.385 CB 1.271 14 residues pruned to eliminate duplicates Z: 20 24.085 1.897 0.830 0.707 0.947 0.526 CB 1.392 20 residues pruned to eliminate duplicates Z: 19 23.266 1.878 0.881 0.708 0.944 0.667 CB 1.361 19 residues pruned to eliminate duplicates Z: 20 20.674 1.883 0.816 0.676 0.895 0.368 CB 1.319 20 residues pruned to eliminate duplicates Z: 16 13.230 1.870 0.654 0.412 0.800 0.533 O 1.513 16 residues pruned to eliminate duplicates Z: 18 20.221 1.878 0.809 0.764 0.824 0.706 CB 1.387 18 residues pruned to eliminate duplicates Z: 12 9.162 1.597 0.734 0.407 0.818 0.364 CB 1.344 12 residues pruned to eliminate duplicates Z: 8 6.725 1.619 0.326 0.644 0.857 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 11 14.061 1.840 0.349 0.733 1.000 0.700 CB 1.453 11 residues pruned to eliminate duplicates Z: 15 8.767 1.692 0.260 0.558 0.857 0.643 CB 1.212 15 residues pruned to eliminate duplicates Z: 8 9.602 1.840 0.151 0.695 1.000 0.714 CB 1.434 8 residues pruned to eliminate duplicates Z: 15 10.410 1.613 0.648 0.552 0.857 0.357 CB 1.161 15 residues pruned to eliminate duplicates Z: 18 12.326 1.738 0.381 0.650 0.882 0.588 CB 1.227 18 residues pruned to eliminate duplicates Z: 14 13.693 1.657 0.756 0.739 0.923 0.615 CB 1.141 14 residues pruned to eliminate duplicates Z: 12 8.822 1.774 0.531 0.717 0.818 0.636 CB 0.984 12 residues pruned to eliminate duplicates Z: 15 13.446 1.807 0.394 0.730 0.929 0.786 CB 1.250 16 residues pruned to eliminate duplicates Z: 16 18.913 1.672 0.659 0.821 1.000 0.667 CB 1.332 16 residues pruned to eliminate duplicates Z: 8 10.676 1.656 0.879 0.557 0.857 0.571 CB 1.431 8 residues pruned to eliminate duplicates Z: 16 11.198 1.744 0.503 0.586 0.867 0.733 CB 1.172 16 residues pruned to eliminate duplicates Z: 14 13.662 1.739 0.711 0.857 0.923 0.692 CB 1.016 14 residues pruned to eliminate duplicates Z: 10 10.521 1.751 0.322 0.655 1.000 0.444 CB 1.312 10 residues pruned to eliminate duplicates Z: 10 8.093 1.650 0.486 0.711 0.889 0.444 CB 1.022 10 residues pruned to eliminate duplicates Z: 26 13.758 1.840 0.381 0.462 0.960 0.560 CB 1.173 33 residues pruned to eliminate duplicates Z: 11 11.151 1.674 0.696 0.821 0.800 0.600 O 1.176 12 residues pruned to eliminate duplicates Z: 13 19.126 1.778 0.788 0.823 0.917 0.750 CB 1.431 12 residues pruned to eliminate duplicates Z: 11 13.584 1.750 0.955 0.835 0.900 0.800 CB 1.045 10 residues pruned to eliminate duplicates Z: 14 14.755 1.688 0.665 0.847 0.846 0.462 CB 1.277 14 residues pruned to eliminate duplicates Z: 20 11.923 1.815 0.404 0.533 0.895 0.421 CB 1.161 19 residues pruned to eliminate duplicates Z: 12 11.383 1.801 0.661 0.667 0.818 0.273 CB 1.202 12 residues pruned to eliminate duplicates Z: 24 17.036 1.879 0.652 0.598 0.739 0.522 CB 1.410 24 residues pruned to eliminate duplicates Z: 25 25.685 1.977 0.809 0.672 0.875 0.667 CB 1.430 27 residues pruned to eliminate duplicates Z: 17 24.720 1.997 0.801 0.796 0.938 0.812 CB 1.414 16 residues pruned to eliminate duplicates Z: 17 18.841 1.900 0.748 0.771 1.000 0.750 CB 1.116 17 residues pruned to eliminate duplicates Z: 25 21.133 1.873 0.881 0.581 0.875 0.583 CB 1.295 25 residues pruned to eliminate duplicates Z: 10 11.291 1.709 0.791 0.510 0.889 0.667 CB 1.370 10 residues pruned to eliminate duplicates Z: 22 17.441 1.869 0.624 0.587 0.857 0.714 CB 1.346 22 residues pruned to eliminate duplicates Z: 24 15.965 1.805 0.798 0.582 0.783 0.348 CB 1.211 24 residues pruned to eliminate duplicates Z: 20 17.791 1.832 0.949 0.556 0.842 0.263 CB 1.285 20 residues pruned to eliminate duplicates Z: 17 21.939 1.892 1.044 0.636 0.875 0.688 CB 1.427 17 residues pruned to eliminate duplicates Z: 29 21.459 1.830 0.785 0.691 0.929 0.571 CB 1.122 29 residues pruned to eliminate duplicates Z: 16 19.636 1.904 1.082 0.709 0.867 0.600 CB 1.220 16 residues pruned to eliminate duplicates Z: 33 21.266 1.890 0.698 0.577 0.844 0.500 CB 1.289 29 residues pruned to eliminate duplicates Z: 15 30.816 1.943 1.087 0.904 1.000 0.857 CB 1.447 18 residues pruned to eliminate duplicates Z: 15 27.261 1.916 0.885 0.900 1.000 0.857 CB 1.441 15 residues pruned to eliminate duplicates Z: 21 21.073 1.894 1.079 0.641 0.800 0.550 CB 1.311 21 residues pruned to eliminate duplicates Z: 20 22.859 1.865 1.075 0.635 0.895 0.526 CB 1.335 20 residues pruned to eliminate duplicates Z: 34 21.087 1.742 0.739 0.567 0.879 0.455 CB 1.292 34 residues pruned to eliminate duplicates Z: 14 14.054 1.791 0.660 0.592 0.846 0.385 N 1.419 9 residues pruned to eliminate duplicates Z: 9 13.411 1.649 0.598 0.882 1.000 0.750 N 1.302 9 residues pruned to eliminate duplicates Z: 6 6.230 1.721 0.685 0.735 0.800 0.600 CB 0.973 6 residues pruned to eliminate duplicates Z: 10 9.336 1.698 0.635 0.608 0.778 0.333 CB 1.300 10 residues pruned to eliminate duplicates Z: 9 9.835 1.692 0.560 0.578 0.875 0.500 CB 1.396 9 residues pruned to eliminate duplicates Z: 23 18.009 1.750 0.590 0.617 0.864 0.636 CB 1.430 24 residues pruned to eliminate duplicates 6 1.452 1.113 0.570 0.681 1.000 0.800 O 0.314 ? Z: 14 7.582 1.746 0.233 0.553 0.846 0.692 CB 1.097 14 residues pruned to eliminate duplicates Z: 9 5.538 1.849 0.569 0.614 1.000 0.625 CB 0.606 Z: 16 16.718 1.858 0.539 0.917 1.000 0.867 CB 1.066 41 residues pruned to eliminate duplicates Z: 10 11.136 1.677 0.681 0.801 0.889 0.667 CB 1.138 10 residues pruned to eliminate duplicates Z: 17 9.528 1.631 0.498 0.538 0.938 0.688 CB 1.002 17 residues pruned to eliminate duplicates Z: 10 7.597 1.822 0.707 0.490 0.556 0.333 N 1.481 10 residues pruned to eliminate duplicates Z: 22 13.173 1.742 0.525 0.545 0.905 0.571 CB 1.145 22 residues pruned to eliminate duplicates Z: 16 13.072 1.768 0.551 0.627 0.867 0.733 CB 1.260 16 residues pruned to eliminate duplicates Z: 14 17.033 1.893 0.579 0.846 0.923 0.846 CB 1.272 16 residues pruned to eliminate duplicates Z: 16 14.397 1.771 0.449 0.850 1.000 0.667 CB 1.072 16 residues pruned to eliminate duplicates Z: 8 12.494 1.973 0.765 0.885 0.857 0.714 CB 1.142 8 residues pruned to eliminate duplicates Z: 13 17.386 1.916 0.748 0.890 1.000 0.917 CB 1.078 13 residues pruned to eliminate duplicates Z: 16 14.388 1.808 0.831 0.767 0.867 0.800 CB 1.022 16 residues pruned to eliminate duplicates Z: 8 15.316 1.984 1.029 0.895 1.000 0.857 CB 1.031 8 residues pruned to eliminate duplicates Z: 9 16.275 1.912 0.996 0.896 1.000 0.750 CB 1.080 9 residues pruned to eliminate duplicates Z: 12 12.337 1.775 1.007 0.722 0.818 0.545 CB 1.044 12 residues pruned to eliminate duplicates 6 1.358 1.710 0.003 0.298 0.400 0.000 CB 1.109 ? Z: 13 4.289 1.605 0.274 0.271 0.667 0.417 CB 1.178 13 residues pruned to eliminate duplicates Z: 12 3.652 1.643 0.026 0.296 0.727 0.364 CB 1.128 9 residues pruned to eliminate duplicates Z: 12 7.604 1.762 0.259 0.604 0.818 0.455 O 1.144 12 residues pruned to eliminate duplicates Z: 10 5.471 1.658 0.353 0.436 0.889 0.667 CB 0.978 10 residues pruned to eliminate duplicates Z: 16 8.238 1.801 0.242 0.376 0.867 0.467 CB 1.252 19 residues pruned to eliminate duplicates Z: 13 10.095 1.695 0.530 0.704 1.000 0.667 CB 0.934 13 residues pruned to eliminate duplicates Z: 15 7.932 1.747 0.571 0.480 0.786 0.571 CB 1.003 15 residues pruned to eliminate duplicates Z: 11 7.687 1.621 0.944 0.357 0.800 0.300 CB 1.126 11 residues pruned to eliminate duplicates Z: 15 12.934 1.713 0.775 0.612 0.929 0.643 CB 1.100 15 residues pruned to eliminate duplicates Z: 14 9.874 1.743 0.483 0.641 0.769 0.538 CB 1.207 14 residues pruned to eliminate duplicates Z: 11 8.827 1.657 0.658 0.488 0.800 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 14 11.344 1.707 0.786 0.608 0.846 0.615 CB 1.101 14 residues pruned to eliminate duplicates Z: 14 12.451 1.673 0.679 0.663 1.000 0.692 CB 1.057 14 residues pruned to eliminate duplicates Z: 25 10.637 1.719 0.344 0.475 0.875 0.542 CB 1.101 25 residues pruned to eliminate duplicates Z: 13 5.575 1.635 0.337 0.330 0.750 0.417 CB 1.182 13 residues pruned to eliminate duplicates Z: 7 4.575 1.735 0.204 0.397 0.833 0.500 CB 1.196 7 residues pruned to eliminate duplicates Z: 14 16.187 1.908 0.538 0.785 0.846 0.769 O 1.408 14 residues pruned to eliminate duplicates Z: 13 21.954 1.923 0.772 0.839 0.917 0.833 O 1.515 14 residues pruned to eliminate duplicates Z: 13 18.678 1.911 0.499 0.853 1.000 0.833 CB 1.391 13 residues pruned to eliminate duplicates Z: 16 15.756 1.827 0.533 0.725 0.867 0.733 CB 1.368 16 residues pruned to eliminate duplicates Z: 12 17.111 1.957 0.585 0.806 0.818 0.727 N 1.556 12 residues pruned to eliminate duplicates Z: 14 18.950 1.944 0.550 0.789 0.846 0.692 O 1.599 14 residues pruned to eliminate duplicates Z: 14 17.787 1.940 0.497 0.752 0.846 0.615 N 1.604 14 residues pruned to eliminate duplicates Z: 10 9.806 1.928 0.289 0.637 0.778 0.556 CB 1.488 10 residues pruned to eliminate duplicates Z: 11 10.212 1.803 0.662 0.525 0.800 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 16 14.045 1.833 0.570 0.742 0.800 0.667 CB 1.268 16 residues pruned to eliminate duplicates Z: 15 21.592 1.877 0.785 0.772 1.000 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 28 16.972 1.865 0.417 0.675 0.889 0.593 CB 1.183 21 residues pruned to eliminate duplicates Z: 17 18.355 1.812 0.505 0.718 0.938 0.688 CB 1.474 18 residues pruned to eliminate duplicates Z: 7 5.818 1.593 0.401 0.727 0.833 0.667 O 1.040 19 residues pruned to eliminate duplicates Z: 12 14.171 1.660 0.677 0.806 0.909 0.727 O 1.293 12 residues pruned to eliminate duplicates Z: 7 7.126 1.587 0.554 0.671 0.833 0.833 CB 1.209 6 residues pruned to eliminate duplicates Z: 8 6.877 1.677 0.324 0.757 0.714 0.429 O 1.304 8 residues pruned to eliminate duplicates Z: 9 7.701 1.640 0.345 0.488 0.875 0.375 O 1.428 9 residues pruned to eliminate duplicates Z: 16 8.687 1.662 0.497 0.527 0.667 0.600 CB 1.316 16 residues pruned to eliminate duplicates Z: 13 11.302 1.694 0.414 0.677 0.833 0.667 N 1.388 13 residues pruned to eliminate duplicates Z: 11 5.761 1.709 0.367 0.480 0.700 0.500 CB 1.137 11 residues pruned to eliminate duplicates Z: 7 9.118 1.857 0.435 0.707 0.833 0.833 CB 1.389 8 residues pruned to eliminate duplicates Z: 7 8.562 1.791 0.482 0.612 0.833 0.667 CB 1.422 7 residues pruned to eliminate duplicates Z: 13 4.935 1.589 0.436 0.403 0.750 0.417 CB 0.922 13 residues pruned to eliminate duplicates Z: 14 5.522 1.431 0.314 0.509 0.769 0.385 CB 1.050 9 residues pruned to eliminate duplicates Z: 8 5.004 1.430 0.327 0.893 1.000 1.000 CB 0.716 7 residues pruned to eliminate duplicates Z: 8 5.798 1.449 0.308 0.858 1.000 0.857 CB 0.851 8 residues pruned to eliminate duplicates Z: 8 5.718 1.494 0.301 0.816 1.000 0.857 CB 0.845 8 residues pruned to eliminate duplicates Z: 13 3.730 1.421 0.394 0.207 0.750 0.250 CB 1.026 12 residues pruned to eliminate duplicates Z: 9 3.323 1.449 0.154 0.663 0.875 0.750 CB 0.690 9 residues pruned to eliminate duplicates Z: 11 6.149 1.541 0.565 0.492 0.800 0.300 CB 1.016 11 residues pruned to eliminate duplicates Z: 11 4.053 1.569 0.449 0.271 0.800 0.200 CB 0.914 11 residues pruned to eliminate duplicates Z: 9 3.774 1.505 0.483 0.295 0.625 0.375 CB 1.203 10 residues pruned to eliminate duplicates Z: 14 8.232 1.341 0.518 0.734 0.923 0.462 CB 0.984 11 residues pruned to eliminate duplicates Z: 11 6.013 1.553 0.178 0.590 0.800 0.500 CB 1.193 11 residues pruned to eliminate duplicates Z: 9 8.082 1.517 0.577 0.750 0.875 0.750 CB 1.091 9 residues pruned to eliminate duplicates Z: 11 8.493 1.491 0.345 0.748 1.000 0.600 CB 1.073 10 residues pruned to eliminate duplicates Z: 10 6.705 1.501 0.382 0.819 0.778 0.444 CB 1.050 10 residues pruned to eliminate duplicates Z: 10 7.307 1.435 0.567 0.572 0.889 0.444 CB 1.137 10 residues pruned to eliminate duplicates Z: 9 3.999 1.435 0.295 0.373 0.750 0.250 O 1.162 9 residues pruned to eliminate duplicates Z: 6 2.405 1.291 0.631 0.189 0.800 0.200 CB 0.926 6 residues pruned to eliminate duplicates 6 1.624 1.328 0.351 0.227 0.600 0.000 O 0.927 ? Z: 6 3.442 1.615 0.643 0.290 0.600 0.400 CB 1.224 4 residues pruned to eliminate duplicates Z: 11 7.058 1.641 0.509 0.861 0.900 0.500 CB 0.736 11 residues pruned to eliminate duplicates Z: 7 3.287 1.538 -0.098 0.497 0.833 0.333 N 1.165 7 residues pruned to eliminate duplicates Z: 13 7.237 1.648 0.771 0.603 0.833 0.417 CB 0.779 13 residues pruned to eliminate duplicates Z: 10 7.120 1.763 0.615 0.804 1.000 0.556 CB 0.640 10 residues pruned to eliminate duplicates Z: 10 8.028 1.725 0.594 0.787 0.889 0.778 CB 0.851 10 residues pruned to eliminate duplicates Z: 10 6.903 1.733 0.412 0.835 1.000 1.000 CB 0.705 10 residues pruned to eliminate duplicates Z: 6 2.238 1.655 0.708 0.654 0.800 0.600 CB 0.384 6 residues pruned to eliminate duplicates Z: 11 7.743 1.689 0.702 0.548 0.800 0.800 CB 1.016 11 residues pruned to eliminate duplicates Z: 10 11.079 1.688 0.843 0.772 1.000 0.667 CB 0.933 20 residues pruned to eliminate duplicates Z: 7 8.710 1.752 0.603 0.835 1.000 1.000 O 0.949 7 residues pruned to eliminate duplicates Z: 17 12.375 1.769 0.548 0.555 0.750 0.438 O 1.427 38 residues pruned to eliminate duplicates Z: 8 12.702 1.784 0.587 0.884 1.000 0.857 CB 1.225 8 residues pruned to eliminate duplicates Z: 20 13.377 1.888 0.371 0.630 0.895 0.526 CB 1.173 21 residues pruned to eliminate duplicates Z: 9 12.279 1.791 0.480 0.846 1.000 1.000 CB 1.216 9 residues pruned to eliminate duplicates Z: 10 13.129 2.024 0.423 0.663 0.889 0.778 CB 1.470 10 residues pruned to eliminate duplicates Z: 11 11.950 1.908 0.586 0.610 0.800 0.600 CB 1.407 11 residues pruned to eliminate duplicates Z: 11 10.507 1.995 0.501 0.540 0.800 0.500 CB 1.333 11 residues pruned to eliminate duplicates Z: 19 10.400 1.831 0.215 0.416 0.889 0.389 CB 1.353 19 residues pruned to eliminate duplicates Z: 22 18.071 1.894 0.560 0.633 0.905 0.667 CB 1.302 24 residues pruned to eliminate duplicates Z: 18 20.015 1.920 0.513 0.740 1.000 0.824 CB 1.348 18 residues pruned to eliminate duplicates Z: 20 13.743 1.795 0.682 0.478 0.895 0.526 CB 1.192 20 residues pruned to eliminate duplicates Z: 14 11.459 1.884 0.764 0.488 0.692 0.385 CB 1.398 14 residues pruned to eliminate duplicates Z: 13 14.463 1.874 0.569 0.623 0.917 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 17 9.880 1.848 0.614 0.363 0.750 0.500 CB 1.280 17 residues pruned to eliminate duplicates Z: 9 8.626 1.763 0.522 0.651 0.875 0.500 CB 1.128 9 residues pruned to eliminate duplicates Z: 14 13.191 1.889 0.876 0.523 0.769 0.462 CB 1.311 14 residues pruned to eliminate duplicates Z: 21 17.258 1.835 0.558 0.543 0.900 0.550 CB 1.437 21 residues pruned to eliminate duplicates Z: 15 9.967 1.822 0.286 0.609 0.786 0.643 CB 1.304 15 residues pruned to eliminate duplicates Z: 26 13.232 1.781 0.373 0.604 0.760 0.440 CB 1.289 26 residues pruned to eliminate duplicates Z: 25 10.747 1.743 0.507 0.508 0.750 0.500 CB 1.104 25 residues pruned to eliminate duplicates Z: 23 17.344 1.903 0.531 0.580 0.864 0.636 CB 1.361 23 residues pruned to eliminate duplicates Z: 29 14.840 1.807 0.648 0.470 0.750 0.429 CB 1.295 29 residues pruned to eliminate duplicates Z: 25 13.113 1.797 0.653 0.501 0.792 0.417 CB 1.137 25 residues pruned to eliminate duplicates Z: 17 12.635 1.851 0.498 0.686 0.750 0.500 CB 1.281 17 residues pruned to eliminate duplicates Z: 48 18.900 1.821 0.655 0.479 0.851 0.489 CB 1.097 48 residues pruned to eliminate duplicates Z: 13 7.895 1.719 0.479 0.502 0.667 0.333 CB 1.343 13 residues pruned to eliminate duplicates Z: 13 11.844 1.678 0.589 0.664 0.917 0.417 CB 1.202 13 residues pruned to eliminate duplicates Z: 14 10.868 1.760 0.439 0.530 0.846 0.538 N 1.367 14 residues pruned to eliminate duplicates Z: 31 15.492 1.772 0.601 0.463 0.867 0.367 CB 1.194 31 residues pruned to eliminate duplicates Z: 12 8.591 1.754 0.416 0.454 0.818 0.455 CB 1.337 12 residues pruned to eliminate duplicates Z: 6 4.805 2.007 0.020 0.539 0.800 0.400 CB 1.263 6 residues pruned to eliminate duplicates Z: 10 4.904 1.757 0.303 0.273 0.778 0.444 CB 1.188 10 residues pruned to eliminate duplicates Z: 19 6.529 1.740 0.350 0.280 0.778 0.500 CB 1.080 26 residues pruned to eliminate duplicates Z: 6 4.039 1.539 0.402 0.285 1.000 0.800 N 1.067 6 residues pruned to eliminate duplicates Z: 12 5.867 1.834 0.125 0.287 0.818 0.455 CB 1.331 12 residues pruned to eliminate duplicates Z: 10 4.242 1.940 -0.124 0.264 0.778 0.444 CB 1.400 10 residues pruned to eliminate duplicates Z: 9 4.299 1.901 0.137 0.218 0.750 0.125 CB 1.305 9 residues pruned to eliminate duplicates Z: 25 10.240 1.761 0.362 0.369 0.792 0.292 CB 1.267 25 residues pruned to eliminate duplicates Z: 17 5.497 1.747 0.216 0.245 0.812 0.312 CB 1.069 17 residues pruned to eliminate duplicates Z: 11 2.304 1.521 0.448 0.305 0.500 0.100 CB 0.823 11 residues pruned to eliminate duplicates Z: 19 6.520 1.752 0.170 0.288 0.778 0.222 CB 1.224 16 residues pruned to eliminate duplicates Z: 18 8.212 1.509 0.421 0.783 0.882 0.647 CB 0.821 15 residues pruned to eliminate duplicates Z: 10 6.577 1.543 0.392 0.704 0.889 0.556 CB 0.953 10 residues pruned to eliminate duplicates Z: 13 10.994 1.575 0.425 0.908 1.000 0.833 CB 1.004 14 residues pruned to eliminate duplicates Z: 15 12.058 1.564 0.467 0.849 1.000 0.500 CB 1.041 15 residues pruned to eliminate duplicates Z: 12 8.157 1.632 0.610 0.521 0.727 0.364 CB 1.260 10 residues pruned to eliminate duplicates Z: 19 11.598 1.568 0.525 0.898 0.889 0.778 CB 0.920 19 residues pruned to eliminate duplicates Z: 15 9.600 1.550 0.696 0.852 0.929 0.643 CB 0.777 15 residues pruned to eliminate duplicates Z: 16 8.610 1.624 0.690 0.584 0.867 0.400 CB 0.862 16 residues pruned to eliminate duplicates Z: 18 7.820 1.622 0.401 0.465 0.824 0.471 CB 1.050 15 residues pruned to eliminate duplicates Z: 10 7.204 1.542 1.099 0.465 0.889 0.556 CB 0.865 10 residues pruned to eliminate duplicates Z: 15 7.031 1.674 0.389 0.563 0.714 0.643 CB 1.065 15 residues pruned to eliminate duplicates Z: 16 8.418 1.679 0.521 0.614 0.800 0.533 CB 0.955 16 residues pruned to eliminate duplicates Z: 8 4.509 1.670 0.080 0.358 0.857 0.286 CB 1.285 8 residues pruned to eliminate duplicates Z: 6 5.989 1.736 0.417 0.382 1.000 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 11 6.746 1.692 0.113 0.510 0.900 0.400 CB 1.246 11 residues pruned to eliminate duplicates Z: 29 10.307 1.682 0.450 0.448 0.786 0.393 CB 1.073 29 residues pruned to eliminate duplicates Z: 8 3.043 1.699 0.032 0.127 0.857 0.143 CB 1.221 8 residues pruned to eliminate duplicates Z: 9 5.853 1.718 0.271 0.382 0.875 0.375 CB 1.228 9 residues pruned to eliminate duplicates Z: 6 3.886 1.644 0.307 0.530 0.800 0.400 N 0.981 Z: 20 10.926 1.722 0.296 0.615 0.789 0.632 CB 1.275 20 residues pruned to eliminate duplicates Z: 10 3.522 1.690 0.413 0.330 0.556 0.333 N 1.066 10 residues pruned to eliminate duplicates Z: 25 8.495 1.688 0.367 0.337 0.750 0.292 CB 1.197 28 residues pruned to eliminate duplicates Z: 10 11.207 1.833 0.325 0.828 0.889 0.444 CB 1.303 10 residues pruned to eliminate duplicates Z: 12 9.676 1.807 0.315 0.680 0.818 0.545 CB 1.271 12 residues pruned to eliminate duplicates Z: 13 8.444 1.736 0.321 0.636 0.833 0.417 CB 1.122 13 residues pruned to eliminate duplicates Z: 21 9.743 1.636 0.554 0.345 0.900 0.450 CB 1.127 21 residues pruned to eliminate duplicates Z: 14 8.039 1.768 0.438 0.604 0.769 0.462 CB 1.033 14 residues pruned to eliminate duplicates Z: 13 11.033 1.762 0.500 0.652 0.833 0.500 CB 1.255 21 residues pruned to eliminate duplicates Z: 14 9.266 1.665 0.412 0.759 0.692 0.385 CB 1.254 10 residues pruned to eliminate duplicates Z: 13 9.334 1.645 0.539 0.770 0.833 0.667 CB 1.006 10 residues pruned to eliminate duplicates Z: 17 20.298 1.794 0.718 0.864 0.875 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 10 11.152 1.740 0.464 0.756 0.889 0.333 N 1.306 10 residues pruned to eliminate duplicates Z: 14 13.078 1.673 0.797 0.752 0.923 0.769 CB 1.044 14 residues pruned to eliminate duplicates Z: 19 16.938 1.762 0.620 0.776 0.833 0.389 CB 1.316 19 residues pruned to eliminate duplicates Z: 14 7.367 1.761 0.465 0.435 0.692 0.308 CB 1.224 14 residues pruned to eliminate duplicates Z: 21 6.949 1.842 0.097 0.276 0.850 0.350 CB 1.166 21 residues pruned to eliminate duplicates Z: 16 4.762 1.912 -0.048 0.316 0.800 0.600 CB 1.035 17 residues pruned to eliminate duplicates Z: 6 6.798 1.942 0.382 0.460 1.000 0.800 CB 1.181 6 residues pruned to eliminate duplicates Z: 21 8.638 1.824 0.168 0.341 0.950 0.450 CB 1.135 19 residues pruned to eliminate duplicates Z: 16 6.697 1.747 0.462 0.446 0.667 0.400 CB 1.073 22 residues pruned to eliminate duplicates Z: 12 8.849 1.807 0.592 0.693 0.909 0.545 CB 0.855 11 residues pruned to eliminate duplicates Z: 10 9.728 1.846 0.532 0.712 1.000 0.667 CB 0.946 11 residues pruned to eliminate duplicates Z: 13 8.573 1.655 0.659 0.735 0.833 0.500 CB 0.876 13 residues pruned to eliminate duplicates Z: 24 12.253 1.870 0.447 0.410 0.870 0.522 CB 1.193 24 residues pruned to eliminate duplicates Z: 13 10.950 1.776 0.731 0.630 0.833 0.333 CB 1.091 17 residues pruned to eliminate duplicates Z: 13 16.262 1.758 0.775 0.802 1.000 0.500 CB 1.156 14 residues pruned to eliminate duplicates Z: 10 5.701 1.690 0.464 0.785 1.000 0.778 CB 0.598 10 residues pruned to eliminate duplicates Z: 9 8.854 1.737 0.501 0.788 0.875 0.750 CB 1.066 9 residues pruned to eliminate duplicates Z: 6 3.457 1.729 0.164 0.829 1.000 0.800 CB 0.578 6 residues pruned to eliminate duplicates Z: 13 9.613 1.700 0.233 0.709 1.000 0.667 CB 1.095 13 residues pruned to eliminate duplicates Z: 8 8.467 1.736 0.430 0.783 1.000 0.714 CB 1.005 8 residues pruned to eliminate duplicates Z: 12 10.121 1.732 0.435 0.719 0.909 0.727 CB 1.108 11 residues pruned to eliminate duplicates Z: 13 12.285 1.687 0.656 0.796 0.917 0.833 CB 1.069 13 residues pruned to eliminate duplicates Z: 17 8.947 1.588 0.455 0.480 0.812 0.750 CB 1.216 17 residues pruned to eliminate duplicates Z: 21 13.364 1.628 0.414 0.686 0.950 0.800 CB 1.152 20 residues pruned to eliminate duplicates Z: 16 15.560 1.673 0.599 0.900 1.000 0.867 CB 1.073 15 residues pruned to eliminate duplicates Z: 21 15.186 1.559 0.689 0.772 0.900 0.700 CB 1.126 21 residues pruned to eliminate duplicates Z: 19 6.011 1.436 0.338 0.296 0.889 0.611 CB 1.042 11 residues pruned to eliminate duplicates Z: 6 3.592 1.436 0.538 0.820 1.000 0.800 CB 0.551 6 residues pruned to eliminate duplicates Z: 13 5.393 1.583 0.535 0.286 0.667 0.250 CB 1.223 13 residues pruned to eliminate duplicates Z: 20 5.133 1.461 0.553 0.263 0.684 0.263 N 0.995 20 residues pruned to eliminate duplicates Z: 19 7.552 1.621 0.292 0.452 0.833 0.611 CB 1.072 19 residues pruned to eliminate duplicates Z: 13 4.298 1.526 0.576 0.304 0.583 0.417 CB 1.100 13 residues pruned to eliminate duplicates Z: 21 8.513 1.563 0.182 0.568 0.900 0.700 CB 1.073 21 residues pruned to eliminate duplicates Z: 15 5.689 1.439 0.473 0.377 0.786 0.286 CB 1.041 15 residues pruned to eliminate duplicates Z: 6 3.097 1.386 0.380 0.463 0.800 0.400 CB 0.940 5 residues pruned to eliminate duplicates Z: 6 5.692 1.514 0.521 0.316 1.000 0.200 O 1.354 6 residues pruned to eliminate duplicates Z: 14 10.469 1.860 0.537 0.404 0.846 0.231 CB 1.328 14 residues pruned to eliminate duplicates Z: 15 9.387 1.839 0.584 0.309 0.786 0.286 CB 1.354 15 residues pruned to eliminate duplicates Z: 11 12.496 1.918 0.603 0.440 0.900 0.500 CB 1.520 11 residues pruned to eliminate duplicates Z: 34 20.061 1.863 0.638 0.468 0.879 0.545 CB 1.344 38 residues pruned to eliminate duplicates Z: 24 28.299 1.865 0.705 0.825 1.000 0.783 CB 1.400 25 residues pruned to eliminate duplicates Z: 22 23.523 1.924 0.619 0.859 0.952 0.952 CB 1.274 22 residues pruned to eliminate duplicates Z: 21 18.473 1.979 0.431 0.592 0.950 0.650 CB 1.406 21 residues pruned to eliminate duplicates Z: 22 19.212 1.942 0.773 0.648 0.762 0.714 CB 1.392 18 residues pruned to eliminate duplicates Z: 19 24.638 1.974 0.612 0.910 1.000 0.889 CB 1.294 19 residues pruned to eliminate duplicates Z: 18 21.505 1.971 0.738 0.656 0.882 0.529 CB 1.492 18 residues pruned to eliminate duplicates Z: 24 23.916 1.912 0.883 0.676 0.913 0.609 CB 1.290 24 residues pruned to eliminate duplicates Z: 20 32.750 2.003 0.994 0.905 1.000 0.842 CB 1.339 20 residues pruned to eliminate duplicates Z: 20 20.153 1.876 0.762 0.771 0.842 0.526 CB 1.307 20 residues pruned to eliminate duplicates Z: 23 22.392 1.909 0.917 0.659 0.864 0.636 CB 1.303 23 residues pruned to eliminate duplicates Z: 14 24.298 2.063 1.064 0.886 0.923 0.615 CB 1.237 14 residues pruned to eliminate duplicates Z: 21 20.450 1.852 0.978 0.652 0.800 0.450 CB 1.355 21 residues pruned to eliminate duplicates Z: 17 24.688 1.923 0.907 0.740 1.000 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 28 25.482 1.912 1.160 0.744 0.815 0.481 CB 1.172 28 residues pruned to eliminate duplicates Z: 23 25.020 1.936 0.898 0.733 0.818 0.364 CB 1.439 23 residues pruned to eliminate duplicates Z: 23 21.915 1.906 0.903 0.670 0.818 0.318 CB 1.346 23 residues pruned to eliminate duplicates Z: 20 19.427 2.001 0.812 0.768 0.737 0.158 CB 1.315 20 residues pruned to eliminate duplicates Z: 30 32.940 1.994 0.931 0.742 0.897 0.379 CB 1.427 34 residues pruned to eliminate duplicates Z: 24 33.353 2.037 0.870 0.770 0.957 0.739 CB 1.503 24 residues pruned to eliminate duplicates Z: 23 33.732 2.017 0.983 0.732 0.955 0.591 CB 1.528 23 residues pruned to eliminate duplicates Z: 32 30.695 1.948 0.942 0.662 0.903 0.645 CB 1.389 32 residues pruned to eliminate duplicates Z: 32 36.018 1.977 1.005 0.725 0.903 0.710 CB 1.475 32 residues pruned to eliminate duplicates Z: 30 16.262 1.861 0.641 0.559 0.724 0.241 CB 1.290 30 residues pruned to eliminate duplicates Z: 18 6.852 1.841 0.423 0.361 0.588 0.176 CB 1.253 18 residues pruned to eliminate duplicates Z: 15 15.270 1.970 0.739 0.751 0.857 0.714 CB 1.111 15 residues pruned to eliminate duplicates Z: 14 20.141 1.811 0.780 0.870 1.000 1.000 CB 1.265 13 residues pruned to eliminate duplicates Z: 13 17.455 1.897 0.764 0.823 0.833 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 14 21.076 1.966 0.896 0.840 0.923 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 16 13.815 1.902 0.753 0.610 0.800 0.467 CB 1.205 16 residues pruned to eliminate duplicates Z: 15 18.165 1.939 0.869 0.754 0.857 0.643 CB 1.246 15 residues pruned to eliminate duplicates Z: 15 20.032 1.990 0.774 0.788 0.929 0.714 CB 1.269 14 residues pruned to eliminate duplicates Z: 16 24.106 1.845 0.860 0.880 0.933 0.800 CB 1.408 16 residues pruned to eliminate duplicates Z: 14 21.379 1.830 0.825 0.867 1.000 0.846 CB 1.299 14 residues pruned to eliminate duplicates Z: 14 29.010 1.918 1.174 0.876 1.000 0.769 CB 1.402 15 residues pruned to eliminate duplicates Z: 13 13.955 1.731 0.739 0.836 0.917 0.833 CB 1.093 13 residues pruned to eliminate duplicates Z: 13 15.513 1.789 0.563 0.847 0.917 0.917 CB 1.297 13 residues pruned to eliminate duplicates Z: 9 10.237 1.786 0.603 0.667 0.875 0.375 CB 1.237 9 residues pruned to eliminate duplicates Z: 10 18.957 1.919 0.538 0.904 1.000 0.889 CB 1.524 10 residues pruned to eliminate duplicates Z: 20 10.944 1.817 0.372 0.625 0.895 0.474 CB 1.001 20 residues pruned to eliminate duplicates Z: 13 16.396 1.917 0.602 0.807 0.917 0.583 CB 1.286 13 residues pruned to eliminate duplicates Z: 12 14.865 1.924 0.407 0.792 1.000 0.636 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 14.652 1.908 0.447 0.839 0.917 0.750 CB 1.249 13 residues pruned to eliminate duplicates Z: 13 18.327 1.821 0.616 0.837 1.000 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 12 16.198 1.887 0.439 0.866 1.000 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 13 14.204 1.882 0.529 0.789 0.917 0.667 CB 1.206 13 residues pruned to eliminate duplicates Z: 13 18.052 1.848 0.682 0.808 0.917 0.833 CB 1.398 13 residues pruned to eliminate duplicates Z: 14 10.488 1.841 0.454 0.669 0.846 0.462 CB 1.099 14 residues pruned to eliminate duplicates Z: 21 14.242 1.865 0.501 0.611 0.850 0.550 CB 1.204 21 residues pruned to eliminate duplicates Z: 7 10.074 1.819 0.395 0.669 1.000 0.667 O 1.387 6 residues pruned to eliminate duplicates Z: 6 4.178 1.301 0.531 0.479 1.000 0.800 CB 0.958 Z: 12 7.856 1.601 0.452 0.785 0.727 0.636 CB 1.091 26 residues pruned to eliminate duplicates Z: 9 8.643 1.614 0.651 0.844 0.875 0.750 CB 0.975 9 residues pruned to eliminate duplicates Z: 7 4.446 1.706 0.260 0.668 0.667 0.500 CB 1.085 7 residues pruned to eliminate duplicates Z: 11 8.615 1.671 0.431 0.789 0.800 0.700 CB 1.105 12 residues pruned to eliminate duplicates Z: 12 9.271 1.648 0.369 0.837 0.909 0.727 CB 1.019 12 residues pruned to eliminate duplicates Z: 11 7.701 1.663 0.341 0.825 0.800 0.600 CB 1.031 11 residues pruned to eliminate duplicates Z: 12 8.240 1.663 0.333 0.828 0.727 0.727 CB 1.160 12 residues pruned to eliminate duplicates Z: 11 5.248 1.602 0.589 0.719 0.600 0.600 CB 0.891 11 residues pruned to eliminate duplicates Z: 14 5.486 1.621 0.270 0.619 0.692 0.462 CB 0.954 14 residues pruned to eliminate duplicates Z: 15 8.126 1.597 0.482 0.697 0.786 0.500 CB 0.975 12 residues pruned to eliminate duplicates Z: 6 2.321 1.465 0.517 0.417 0.600 0.400 CB 0.849 6 1.794 1.432 -0.068 0.607 0.600 0.400 CB 0.905 ? Z: 8 4.365 1.343 0.427 0.809 0.857 0.429 CB 0.767 5 residues pruned to eliminate duplicates Z: 9 8.177 1.418 0.571 0.778 1.000 0.875 CB 1.015 9 residues pruned to eliminate duplicates Z: 6 3.378 1.338 0.752 0.733 1.000 0.600 CB 0.523 5 residues pruned to eliminate duplicates Z: 13 10.461 1.577 0.629 0.804 0.917 0.750 CB 0.983 8 residues pruned to eliminate duplicates Z: 13 10.151 1.587 0.738 0.799 0.917 0.667 CB 0.892 13 residues pruned to eliminate duplicates Z: 13 8.906 1.563 0.647 0.722 0.833 0.667 CB 0.981 13 residues pruned to eliminate duplicates Z: 10 9.056 1.558 0.760 0.854 0.889 0.778 CB 0.915 9 residues pruned to eliminate duplicates Z: 7 13.247 1.753 1.021 0.880 1.000 1.000 CB 1.106 8 residues pruned to eliminate duplicates Z: 10 10.595 1.664 0.694 0.882 0.889 0.667 CB 1.020 10 residues pruned to eliminate duplicates Z: 11 7.868 1.628 0.436 0.746 0.900 0.700 CB 0.950 11 residues pruned to eliminate duplicates Z: 11 7.346 1.623 0.760 0.813 0.700 0.700 CB 0.885 11 residues pruned to eliminate duplicates Z: 7 5.033 1.812 0.292 0.311 0.833 0.333 CB 1.298 7 residues pruned to eliminate duplicates Z: 11 12.917 1.814 0.612 0.747 1.000 0.600 CB 1.120 8 residues pruned to eliminate duplicates Z: 9 7.059 1.811 0.361 0.761 0.875 0.375 CB 0.918 9 residues pruned to eliminate duplicates Z: 11 9.575 1.765 0.469 0.779 0.900 0.700 CB 1.014 11 residues pruned to eliminate duplicates Z: 10 10.289 1.912 0.395 0.692 1.000 0.556 CB 1.079 10 residues pruned to eliminate duplicates Z: 7 5.882 1.922 0.618 0.568 0.667 0.333 CB 1.085 7 residues pruned to eliminate duplicates 7 1.661 1.823 0.556 0.602 0.500 0.333 CB 0.434 ? Z: 15 6.898 1.712 0.582 0.530 0.714 0.357 CB 0.925 15 residues pruned to eliminate duplicates Z: 12 8.175 1.799 0.415 0.589 0.818 0.364 CB 1.087 12 residues pruned to eliminate duplicates Z: 9 4.385 1.700 0.505 0.559 0.625 0.375 CB 0.916 9 residues pruned to eliminate duplicates Z: 15 9.510 1.801 0.186 0.323 1.000 0.643 CB 1.445 15 residues pruned to eliminate duplicates Z: 14 7.820 1.774 0.133 0.406 0.846 0.538 O 1.407 14 residues pruned to eliminate duplicates Z: 7 4.743 1.652 0.130 0.357 1.000 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 9 4.032 1.401 0.525 0.387 0.750 0.375 CB 1.003 9 residues pruned to eliminate duplicates Z: 17 7.742 1.734 0.389 0.302 0.750 0.375 O 1.337 18 residues pruned to eliminate duplicates Z: 9 4.010 1.549 0.566 0.280 0.750 0.500 CB 0.998 9 residues pruned to eliminate duplicates Z: 16 11.222 1.742 0.459 0.461 0.933 0.400 CB 1.271 18 residues pruned to eliminate duplicates Z: 8 2.407 1.566 -0.115 0.440 0.714 0.429 O 0.978 8 residues pruned to eliminate duplicates Z: 24 13.413 1.692 0.354 0.517 0.913 0.565 O 1.315 24 residues pruned to eliminate duplicates Z: 7 5.357 1.602 0.357 0.846 1.000 0.833 O 0.748 7 residues pruned to eliminate duplicates Z: 23 10.206 1.711 0.333 0.417 0.864 0.636 CB 1.206 23 residues pruned to eliminate duplicates Z: 21 11.283 1.738 0.375 0.432 0.850 0.450 CB 1.333 21 residues pruned to eliminate duplicates Z: 11 4.289 1.613 0.247 0.376 0.700 0.300 CB 1.100 11 residues pruned to eliminate duplicates Z: 19 10.377 1.648 0.636 0.487 0.833 0.444 CB 1.104 19 residues pruned to eliminate duplicates Z: 25 10.095 1.664 0.246 0.428 0.958 0.542 CB 1.119 25 residues pruned to eliminate duplicates Z: 11 9.677 1.682 0.454 0.741 1.000 0.700 CB 1.008 9 residues pruned to eliminate duplicates Z: 10 7.672 1.750 0.296 0.848 0.889 0.556 CB 0.941 11 residues pruned to eliminate duplicates Z: 7 2.949 1.344 0.480 0.371 0.667 0.167 CB 1.043 7 1.872 1.385 0.087 0.208 0.833 0.333 CB 0.861 ? Z: 6 2.471 1.443 0.478 0.220 0.600 0.000 CB 1.200 Z: 11 7.455 1.591 0.443 0.521 0.800 0.400 N 1.256 17 residues pruned to eliminate duplicates Z: 7 6.105 1.743 0.197 0.732 0.833 0.500 CB 1.163 7 residues pruned to eliminate duplicates Z: 15 8.847 1.774 0.565 0.444 0.643 0.500 CB 1.403 15 residues pruned to eliminate duplicates Z: 8 4.956 1.672 0.604 0.568 0.571 0.429 CB 1.144 8 residues pruned to eliminate duplicates Z: 10 9.531 1.593 0.743 0.569 0.778 0.556 O 1.376 12 residues pruned to eliminate duplicates Z: 11 10.692 1.525 0.828 0.726 1.000 0.600 CB 0.988 8 residues pruned to eliminate duplicates Z: 7 4.074 1.476 0.691 0.475 1.000 0.333 CB 0.684 7 residues pruned to eliminate duplicates Z: 8 6.544 1.774 0.669 0.463 1.000 0.714 CB 0.867 Z: 7 2.411 1.450 0.826 0.202 0.500 0.500 N 1.059 7 residues pruned to eliminate duplicates Z: 6 2.503 1.150 0.910 0.161 0.800 0.400 O 0.963 6 residues pruned to eliminate duplicates Z: 9 6.584 1.719 0.990 0.358 0.875 0.625 CB 0.906 8 residues pruned to eliminate duplicates Z: 6 2.069 1.429 0.814 0.242 0.600 0.200 CB 0.802 6 residues pruned to eliminate duplicates Z: 10 5.663 1.661 0.562 0.352 0.889 0.556 CB 0.961 9 residues pruned to eliminate duplicates Z: 10 12.246 1.832 0.369 0.777 1.000 0.889 CB 1.274 10 residues pruned to eliminate duplicates Z: 8 8.798 1.801 0.170 0.733 1.000 0.857 CB 1.280 8 residues pruned to eliminate duplicates Z: 11 9.014 1.765 0.056 0.716 1.000 0.900 CB 1.258 11 residues pruned to eliminate duplicates Z: 10 10.916 1.746 0.285 0.758 1.000 0.778 CB 1.289 9 residues pruned to eliminate duplicates Z: 9 8.444 1.817 0.072 0.850 0.875 0.750 CB 1.298 9 residues pruned to eliminate duplicates Z: 10 11.822 1.824 0.351 0.683 1.000 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 7 9.622 1.866 0.299 0.869 1.000 0.833 CB 1.183 7 residues pruned to eliminate duplicates Z: 11 11.575 1.817 0.366 0.661 1.000 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 8 10.155 1.850 0.233 0.875 1.000 0.857 CB 1.223 8 residues pruned to eliminate duplicates Z: 12 10.487 1.878 0.423 0.604 1.000 0.727 CB 1.071 9 residues pruned to eliminate duplicates Z: 11 12.585 1.790 0.531 0.827 1.000 0.600 CB 1.094 14 residues pruned to eliminate duplicates Z: 11 12.134 1.766 0.561 0.845 1.000 0.800 CB 1.035 11 residues pruned to eliminate duplicates Z: 11 12.330 1.691 0.703 0.753 0.900 0.600 CB 1.200 11 residues pruned to eliminate duplicates Z: 32 14.969 1.859 0.521 0.493 0.806 0.516 CB 1.188 42 residues pruned to eliminate duplicates Z: 23 11.146 1.798 0.507 0.484 0.773 0.364 CB 1.153 23 residues pruned to eliminate duplicates Z: 17 11.354 1.820 0.389 0.535 0.938 0.562 CB 1.157 Z: 13 11.283 1.812 0.573 0.678 1.000 0.583 CB 0.970 13 residues pruned to eliminate duplicates Z: 12 4.456 1.553 0.359 0.302 0.818 0.364 CB 0.971 12 residues pruned to eliminate duplicates Z: 7 7.309 1.685 0.386 0.652 0.833 0.500 CB 1.331 12 residues pruned to eliminate duplicates Z: 13 10.211 1.667 0.294 0.919 1.000 0.917 CB 0.963 13 residues pruned to eliminate duplicates Z: 14 4.466 1.413 0.307 0.464 0.769 0.385 CB 0.905 11 residues pruned to eliminate duplicates Z: 12 12.279 1.674 0.445 0.840 1.000 0.727 CB 1.143 17 residues pruned to eliminate duplicates Z: 11 12.919 1.724 0.480 0.876 1.000 0.900 CB 1.164 11 residues pruned to eliminate duplicates Z: 12 8.935 1.627 0.359 0.599 0.909 0.636 CB 1.220 10 residues pruned to eliminate duplicates Z: 13 10.128 1.611 0.510 0.762 0.917 0.667 CB 1.038 13 residues pruned to eliminate duplicates Z: 17 11.347 1.614 0.507 0.639 0.938 0.500 CB 1.092 16 residues pruned to eliminate duplicates Z: 10 10.020 1.660 0.690 0.845 1.000 0.667 CB 0.885 10 residues pruned to eliminate duplicates Z: 15 8.648 1.647 0.546 0.632 0.786 0.643 CB 1.020 15 residues pruned to eliminate duplicates Z: 15 9.540 1.619 0.434 0.692 0.786 0.571 CB 1.172 14 residues pruned to eliminate duplicates Z: 11 13.350 1.735 0.850 0.679 1.000 0.400 CB 1.116 11 residues pruned to eliminate duplicates Z: 14 11.521 1.638 0.492 0.759 1.000 0.615 CB 1.039 14 residues pruned to eliminate duplicates Z: 13 8.932 1.565 0.466 0.650 0.917 0.583 CB 1.066 11 residues pruned to eliminate duplicates Z: 9 12.803 1.738 0.511 0.899 1.000 1.000 CB 1.233 9 residues pruned to eliminate duplicates Z: 9 14.465 1.782 0.623 0.873 1.000 0.875 CB 1.288 9 residues pruned to eliminate duplicates Z: 18 8.666 1.512 0.373 0.480 0.882 0.471 CB 1.171 17 residues pruned to eliminate duplicates Z: 9 14.532 1.707 0.818 0.890 1.000 0.875 CB 1.192 10 residues pruned to eliminate duplicates Z: 10 14.096 1.731 0.591 0.848 1.000 0.778 CB 1.266 10 residues pruned to eliminate duplicates Z: 13 8.930 1.553 0.458 0.648 1.000 0.750 CB 0.991 13 residues pruned to eliminate duplicates Z: 13 9.113 1.584 0.441 0.688 1.000 0.833 CB 0.970 13 residues pruned to eliminate duplicates Z: 8 5.529 1.810 0.401 0.494 0.714 0.571 CB 1.160 8 residues pruned to eliminate duplicates Z: 9 6.107 1.704 0.658 0.372 0.750 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 10 8.706 1.729 0.414 0.495 0.889 0.444 CB 1.342 12 residues pruned to eliminate duplicates Z: 12 9.543 1.539 0.390 0.795 1.000 0.727 CB 1.039 11 residues pruned to eliminate duplicates Z: 11 10.987 1.596 0.578 0.851 1.000 0.900 CB 1.021 11 residues pruned to eliminate duplicates Z: 13 10.108 1.615 0.529 0.802 0.833 0.750 CB 1.089 13 residues pruned to eliminate duplicates Z: 12 6.380 1.645 0.301 0.599 0.818 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 13 7.439 1.687 0.620 0.615 0.833 0.583 CB 0.845 13 residues pruned to eliminate duplicates Z: 12 7.967 1.686 0.645 0.705 0.818 0.455 CB 0.879 12 residues pruned to eliminate duplicates Z: 10 8.642 1.512 0.799 0.452 1.000 0.556 CB 1.113 Z: 10 6.357 1.688 0.785 0.704 0.889 0.333 CB 0.657 21 residues pruned to eliminate duplicates Z: 10 8.407 1.752 0.906 0.730 0.889 0.667 CB 0.768 10 residues pruned to eliminate duplicates Z: 11 5.793 1.806 0.357 0.504 0.800 0.600 CB 0.931 11 residues pruned to eliminate duplicates Z: 8 2.003 1.580 0.202 0.275 0.571 0.143 CB 0.900 8 residues pruned to eliminate duplicates Z: 14 5.732 1.805 0.520 0.318 0.692 0.308 CB 1.023 14 residues pruned to eliminate duplicates Z: 7 4.958 1.937 0.245 0.693 1.000 0.667 CB 0.703 7 residues pruned to eliminate duplicates Z: 6 3.382 1.985 0.265 0.676 0.800 0.600 CB 0.640 6 residues pruned to eliminate duplicates Z: 9 8.439 1.980 0.520 0.544 0.875 0.500 CB 1.086 9 residues pruned to eliminate duplicates Z: 11 7.827 1.920 0.277 0.481 0.800 0.300 CB 1.286 11 residues pruned to eliminate duplicates Z: 26 9.378 1.812 0.506 0.420 0.720 0.400 CB 1.037 39 residues pruned to eliminate duplicates Z: 22 9.899 1.794 0.485 0.389 0.762 0.333 CB 1.198 22 residues pruned to eliminate duplicates Z: 28 12.103 1.934 0.594 0.411 0.741 0.333 CB 1.119 28 residues pruned to eliminate duplicates Z: 15 8.408 1.890 0.613 0.441 0.643 0.357 CB 1.219 Z: 8 13.002 1.935 1.015 0.794 0.857 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 8 10.200 1.970 1.024 0.852 0.714 0.571 CB 1.001 8 residues pruned to eliminate duplicates Z: 23 9.769 1.885 0.608 0.372 0.636 0.364 CB 1.239 8 residues pruned to eliminate duplicates Z: 9 11.644 1.976 0.846 0.842 0.625 0.375 CB 1.346 9 residues pruned to eliminate duplicates Z: 12 7.040 1.851 0.465 0.515 0.636 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 14 9.088 2.031 0.552 0.518 0.769 0.462 CB 1.021 14 residues pruned to eliminate duplicates Z: 25 10.562 1.967 0.586 0.445 0.750 0.458 CB 0.974 55 residues pruned to eliminate duplicates Z: 16 8.971 1.949 0.510 0.496 0.867 0.467 CB 0.912 16 residues pruned to eliminate duplicates Z: 17 11.949 1.985 0.511 0.440 0.875 0.500 CB 1.210 17 residues pruned to eliminate duplicates Z: 10 6.377 1.926 0.247 0.288 0.778 0.333 CB 1.444 10 residues pruned to eliminate duplicates Z: 20 12.048 1.919 0.448 0.405 0.842 0.474 CB 1.305 20 residues pruned to eliminate duplicates Z: 35 15.627 1.962 0.619 0.460 0.735 0.529 CB 1.195 35 residues pruned to eliminate duplicates Z: 28 17.116 1.960 0.598 0.476 0.815 0.519 CB 1.323 28 residues pruned to eliminate duplicates Z: 38 14.931 1.928 0.519 0.421 0.784 0.649 CB 1.161 37 residues pruned to eliminate duplicates 6 1.922 1.763 0.218 0.398 0.400 0.200 O 1.114 ? 6 1.156 1.549 0.043 0.100 0.600 0.200 CB 0.889 ? Z: 8 8.859 1.900 0.181 0.563 0.857 0.286 CB 1.638 8 residues pruned to eliminate duplicates Z: 11 10.740 1.890 0.890 0.503 0.700 0.500 O 1.354 11 residues pruned to eliminate duplicates Z: 35 17.101 1.913 0.541 0.406 0.824 0.500 CB 1.333 35 residues pruned to eliminate duplicates Z: 16 12.863 1.926 0.513 0.399 0.933 0.467 CB 1.359 16 residues pruned to eliminate duplicates Z: 16 17.593 2.012 0.640 0.656 0.867 0.467 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 16.032 2.011 0.741 0.549 0.857 0.429 CB 1.360 15 residues pruned to eliminate duplicates Z: 52 20.189 1.921 0.558 0.414 0.843 0.490 CB 1.226 49 residues pruned to eliminate duplicates Z: 12 17.649 1.935 0.819 0.729 0.909 0.364 CB 1.354 12 residues pruned to eliminate duplicates Z: 14 19.271 1.932 0.926 0.585 0.923 0.308 CB 1.434 14 residues pruned to eliminate duplicates Z: 20 15.718 1.772 0.882 0.548 0.842 0.316 CB 1.225 20 residues pruned to eliminate duplicates Z: 53 26.812 1.952 0.632 0.500 0.865 0.519 CB 1.348 53 residues pruned to eliminate duplicates Z: 36 16.438 1.959 0.645 0.448 0.714 0.400 CB 1.273 36 residues pruned to eliminate duplicates Z: 35 16.028 1.957 0.500 0.453 0.794 0.529 CB 1.237 35 residues pruned to eliminate duplicates Z: 21 16.892 1.895 0.639 0.601 0.950 0.400 CB 1.163 21 residues pruned to eliminate duplicates Z: 42 17.098 1.960 0.565 0.459 0.732 0.463 CB 1.240 42 residues pruned to eliminate duplicates Z: 21 14.473 1.909 0.617 0.621 0.800 0.500 CB 1.169 21 residues pruned to eliminate duplicates Z: 11 4.457 1.882 0.280 0.225 0.800 0.400 CB 1.010 11 residues pruned to eliminate duplicates Z: 10 3.995 1.920 0.047 0.216 0.889 0.556 CB 1.041 10 residues pruned to eliminate duplicates Z: 9 4.985 1.974 0.580 0.302 0.750 0.500 CB 0.940 9 residues pruned to eliminate duplicates Z: 34 20.401 1.897 0.562 0.469 0.970 0.545 CB 1.275 35 residues pruned to eliminate duplicates Z: 12 17.981 1.793 0.640 0.857 1.000 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 39 18.661 1.792 0.569 0.510 0.868 0.447 CB 1.228 39 residues pruned to eliminate duplicates Z: 29 11.291 1.663 0.587 0.356 0.750 0.429 CB 1.260 35 residues pruned to eliminate duplicates Z: 11 9.111 1.920 0.544 0.545 0.700 0.400 CB 1.329 11 residues pruned to eliminate duplicates Z: 13 16.645 1.981 0.933 0.553 0.917 0.333 CB 1.300 13 residues pruned to eliminate duplicates Z: 31 15.890 1.812 0.538 0.528 0.833 0.467 CB 1.215 31 residues pruned to eliminate duplicates Z: 32 17.758 1.737 0.704 0.514 0.871 0.419 CB 1.220 32 residues pruned to eliminate duplicates Z: 35 17.438 1.750 0.631 0.524 0.794 0.500 CB 1.288 35 residues pruned to eliminate duplicates Z: 15 18.511 1.997 0.573 0.671 0.857 0.571 CB 1.570 15 residues pruned to eliminate duplicates Z: 21 13.588 1.834 0.728 0.503 0.750 0.500 CB 1.275 21 residues pruned to eliminate duplicates Z: 14 13.320 1.856 0.724 0.593 0.769 0.538 CB 1.373 14 residues pruned to eliminate duplicates Z: 20 17.450 1.877 0.631 0.638 0.842 0.579 CB 1.364 20 residues pruned to eliminate duplicates Z: 15 17.929 1.973 0.888 0.693 0.786 0.500 CB 1.372 15 residues pruned to eliminate duplicates Z: 26 13.121 1.827 0.698 0.469 0.720 0.400 CB 1.213 26 residues pruned to eliminate duplicates Z: 21 15.077 1.886 0.866 0.486 0.750 0.350 CB 1.295 21 residues pruned to eliminate duplicates Z: 37 19.958 1.791 0.629 0.529 0.917 0.528 CB 1.208 37 residues pruned to eliminate duplicates Z: 26 14.104 1.850 0.623 0.421 0.800 0.320 CB 1.275 26 residues pruned to eliminate duplicates Z: 21 17.055 1.883 0.751 0.621 0.750 0.300 CB 1.376 21 residues pruned to eliminate duplicates Z: 17 8.576 1.834 0.152 0.421 0.812 0.250 CB 1.355 17 residues pruned to eliminate duplicates Z: 12 5.004 1.797 0.235 0.270 0.636 0.182 CB 1.387 12 residues pruned to eliminate duplicates Z: 11 3.224 1.628 0.138 0.213 0.700 0.200 O 1.102 11 residues pruned to eliminate duplicates Z: 36 17.535 1.843 0.450 0.476 0.857 0.543 CB 1.325 36 residues pruned to eliminate duplicates Z: 15 12.151 1.781 0.475 0.466 0.857 0.500 N 1.492 15 residues pruned to eliminate duplicates Z: 29 13.289 1.825 0.333 0.412 0.750 0.321 N 1.509 29 residues pruned to eliminate duplicates Z: 26 13.617 1.896 0.445 0.482 0.760 0.400 CB 1.332 26 residues pruned to eliminate duplicates Z: 8 5.626 1.829 0.226 0.455 0.714 0.286 CB 1.390 8 residues pruned to eliminate duplicates Z: 15 9.265 1.787 0.417 0.457 0.786 0.429 CB 1.301 15 residues pruned to eliminate duplicates Z: 18 9.338 1.727 0.369 0.714 0.706 0.529 CB 1.117 18 residues pruned to eliminate duplicates Z: 23 15.059 1.902 0.347 0.710 0.864 0.636 CB 1.199 23 residues pruned to eliminate duplicates Z: 23 17.282 1.888 0.604 0.775 0.909 0.727 CB 1.050 23 residues pruned to eliminate duplicates Z: 20 21.571 1.977 0.524 0.850 0.947 0.684 CB 1.284 20 residues pruned to eliminate duplicates Z: 16 8.644 1.758 0.462 0.492 0.733 0.333 CB 1.193 16 residues pruned to eliminate duplicates Z: 18 18.085 1.936 0.546 0.673 0.882 0.471 CB 1.415 18 residues pruned to eliminate duplicates Z: 21 24.084 1.934 0.759 0.814 0.950 0.850 CB 1.268 21 residues pruned to eliminate duplicates Z: 25 20.331 1.900 0.633 0.739 0.917 0.667 CB 1.177 25 residues pruned to eliminate duplicates Z: 18 20.655 1.891 0.795 0.705 0.941 0.765 CB 1.302 18 residues pruned to eliminate duplicates Z: 32 16.518 1.791 0.505 0.645 0.806 0.452 CB 1.193 32 residues pruned to eliminate duplicates Z: 21 19.522 1.883 0.643 0.742 0.950 0.700 CB 1.196 21 residues pruned to eliminate duplicates Z: 12 16.428 1.929 0.607 0.742 0.909 0.636 CB 1.416 12 residues pruned to eliminate duplicates Z: 18 22.633 1.900 0.736 0.751 0.941 0.765 CB 1.414 18 residues pruned to eliminate duplicates Z: 17 19.563 1.853 0.751 0.771 0.875 0.812 CB 1.356 17 residues pruned to eliminate duplicates Z: 26 21.596 1.843 0.674 0.634 0.920 0.720 CB 1.342 26 residues pruned to eliminate duplicates Z: 27 20.083 1.846 0.627 0.705 0.846 0.615 CB 1.285 27 residues pruned to eliminate duplicates Z: 25 17.565 1.868 0.621 0.686 0.833 0.667 CB 1.199 25 residues pruned to eliminate duplicates Z: 15 18.164 1.956 0.828 0.734 0.857 0.714 CB 1.283 15 residues pruned to eliminate duplicates Z: 27 26.653 1.930 0.713 0.748 0.923 0.692 CB 1.372 27 residues pruned to eliminate duplicates Z: 20 26.886 1.902 0.821 0.896 0.895 0.421 CB 1.426 20 residues pruned to eliminate duplicates Z: 8 3.590 1.735 0.292 0.257 0.714 0.143 CB 1.120 Z: 7 5.973 1.431 0.779 0.703 0.833 0.500 O 0.955 7 residues pruned to eliminate duplicates 851 residues left after pruning, divided into chains as follows: A: 9 B: 9 C: 6 D: 9 E: 10 F: 10 G: 12 H: 75 I: 12 J: 7 K: 15 L: 18 M: 30 N: 9 O: 15 P: 16 Q: 15 R: 23 S: 17 T: 13 U: 14 V: 13 W: 10 X: 81 Y: 28 Z: 27 Z: 38 Z: 26 Z: 15 Z: 10 Z: 12 Z: 11 Z: 25 Z: 6 Z: 7 Z: 6 Z: 13 Z: 13 Z: 17 Z: 18 Z: 14 Z: 75 Z: 42 CC for partial structure against native data = 30.97 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.547, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.632, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.728, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.741, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.753, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.759, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.764, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.766, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.767, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.767, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3898 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 986 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 9.767 1.965 0.322 0.703 1.000 0.429 CB 1.181 B: 8 12.870 1.991 0.692 0.615 1.000 0.571 CB 1.295 8 residues pruned to eliminate duplicates C: 9 13.085 2.006 0.657 0.568 0.875 0.500 CB 1.490 8 residues pruned to eliminate duplicates D: 8 13.673 2.051 0.501 0.839 1.000 0.857 O 1.254 E: 10 12.853 1.890 0.584 0.702 0.889 0.556 CB 1.339 F: 8 10.602 1.565 0.738 0.800 1.000 0.714 CB 1.133 G: 20 11.943 1.716 0.313 0.646 0.947 0.632 CB 1.120 H: 12 11.155 1.784 0.580 0.866 1.000 0.727 CB 0.873 I: 30 20.796 1.904 0.772 0.606 0.828 0.345 CB 1.250 19 residues pruned to eliminate duplicates J: 7 6.966 1.579 0.623 0.684 0.833 0.667 CB 1.124 K: 15 17.330 1.857 1.077 0.812 0.929 0.429 CB 0.986 L: 21 30.964 1.985 0.989 0.898 1.000 0.800 CB 1.254 29 residues pruned to eliminate duplicates M: 14 4.679 1.684 0.450 0.223 0.846 0.538 CB 0.868 N: 6 3.068 2.053 0.367 0.341 0.400 0.400 O 1.453 O: 14 10.933 1.681 0.660 0.624 0.769 0.462 CB 1.256 P: 14 22.874 1.978 0.600 0.922 1.000 0.923 CB 1.410 Q: 14 14.914 1.874 0.968 0.717 0.923 0.538 CB 0.999 14 residues pruned to eliminate duplicates R: 21 29.830 1.973 0.720 0.880 1.000 0.800 CB 1.424 S: 14 13.433 1.886 0.798 0.787 0.692 0.385 CB 1.233 T: 12 19.440 1.964 0.649 0.909 1.000 0.818 CB 1.285 12 residues pruned to eliminate duplicates U: 19 17.978 1.853 0.274 0.826 1.000 0.778 CB 1.355 15 residues pruned to eliminate duplicates V: 15 21.986 1.958 0.795 0.871 1.000 0.857 CB 1.220 W: 16 9.612 1.900 0.517 0.509 0.733 0.467 CB 1.164 X: 10 8.372 1.673 0.919 0.559 0.667 0.444 N 1.231 8 residues pruned to eliminate duplicates Y: 9 10.183 1.679 0.900 0.846 1.000 0.875 CB 0.838 7 residues pruned to eliminate duplicates Z: 15 22.463 1.983 0.678 0.898 1.000 0.929 CB 1.290 15 residues pruned to eliminate duplicates Z: 6 2.691 1.634 0.348 0.295 0.600 0.600 CA 1.146 Z: 13 17.306 1.919 0.658 0.865 0.833 0.583 CB 1.380 13 residues pruned to eliminate duplicates Z: 16 17.907 1.889 0.754 0.851 0.933 0.800 CB 1.107 16 residues pruned to eliminate duplicates Z: 14 22.953 1.987 1.030 0.912 1.000 0.846 CB 1.118 14 residues pruned to eliminate duplicates Z: 9 10.356 1.824 0.083 0.907 1.000 0.875 CB 1.318 Z: 20 29.764 1.968 0.913 0.888 0.947 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 9 12.471 1.790 0.549 0.862 1.000 0.875 CB 1.167 Z: 14 12.950 1.654 0.915 0.791 0.923 0.615 CB 0.951 12 residues pruned to eliminate duplicates Z: 6 3.237 1.769 0.093 0.307 0.800 0.600 CB 1.160 Z: 13 22.083 1.903 0.671 0.843 1.000 0.583 O 1.493 Z: 8 8.307 2.047 0.332 0.761 0.857 0.714 CB 1.065 Z: 10 15.339 1.999 0.912 0.808 0.889 0.556 CB 1.151 10 residues pruned to eliminate duplicates Z: 6 4.443 1.854 -0.176 0.574 1.000 0.400 CB 1.211 Z: 14 18.811 1.988 0.776 0.717 0.846 0.231 CB 1.435 15 residues pruned to eliminate duplicates Z: 16 16.841 1.902 0.590 0.810 0.933 0.733 CB 1.176 16 residues pruned to eliminate duplicates Z: 7 9.030 1.847 0.669 0.822 0.833 0.667 CB 1.086 Z: 25 9.593 1.693 0.656 0.370 0.667 0.292 CB 1.204 16 residues pruned to eliminate duplicates Z: 14 12.870 1.849 0.406 0.810 0.923 0.846 O 1.136 14 residues pruned to eliminate duplicates Z: 14 24.051 2.008 0.667 0.889 1.000 0.846 CB 1.435 14 residues pruned to eliminate duplicates Z: 8 6.576 1.759 0.318 0.888 1.000 0.857 CB 0.773 Z: 21 21.083 1.914 0.610 0.835 0.950 0.600 CB 1.206 21 residues pruned to eliminate duplicates Z: 7 9.741 1.745 0.847 0.764 0.667 0.333 CB 1.464 Z: 12 8.990 1.653 0.372 0.661 1.000 0.727 CB 1.029 10 residues pruned to eliminate duplicates Z: 8 11.562 2.042 0.612 0.834 1.000 0.714 CB 0.996 7 residues pruned to eliminate duplicates Z: 9 5.176 1.698 0.379 0.409 0.750 0.625 CB 1.146 10 residues pruned to eliminate duplicates Z: 15 7.164 1.786 0.354 0.425 0.857 0.571 CB 0.999 6 residues pruned to eliminate duplicates Z: 9 9.532 1.669 0.559 0.853 0.875 0.625 CB 1.095 Z: 13 14.402 1.755 0.642 0.898 0.917 0.917 CB 1.127 14 residues pruned to eliminate duplicates Z: 8 9.520 1.820 0.375 0.896 1.000 0.857 CB 1.030 Z: 13 18.271 1.798 0.673 0.915 1.000 1.000 CB 1.239 13 residues pruned to eliminate duplicates Z: 15 18.259 1.864 0.519 0.799 0.929 0.571 CB 1.429 15 residues pruned to eliminate duplicates Z: 8 3.157 1.729 0.671 0.269 0.571 0.143 CB 0.939 Z: 7 17.232 1.981 0.704 0.871 1.000 0.667 N 1.520 7 residues pruned to eliminate duplicates Z: 11 3.152 1.522 0.549 0.147 0.700 0.300 CB 0.934 Z: 13 20.024 1.796 0.990 0.859 0.917 0.750 CB 1.299 13 residues pruned to eliminate duplicates Z: 7 6.657 1.688 0.221 0.809 1.000 1.000 CB 1.007 Z: 6 8.847 2.125 0.281 0.834 1.000 0.400 CB 1.089 Z: 11 5.832 1.724 0.434 0.524 0.700 0.500 CB 1.041 13 residues pruned to eliminate duplicates Z: 10 18.016 1.901 0.453 0.932 1.000 1.000 O 1.518 10 residues pruned to eliminate duplicates Z: 32 35.098 2.002 0.877 0.725 0.968 0.387 CB 1.415 35 residues pruned to eliminate duplicates Z: 17 19.472 1.871 0.657 0.808 0.812 0.625 N 1.477 Z: 11 7.454 1.731 0.321 0.445 1.000 0.500 CB 1.091 Z: 9 10.309 1.860 0.021 0.893 1.000 1.000 CB 1.379 9 residues pruned to eliminate duplicates Z: 10 8.503 1.735 0.229 0.772 0.889 0.444 CB 1.175 10 residues pruned to eliminate duplicates Z: 8 5.164 1.712 0.248 0.807 0.857 0.857 CB 0.815 Z: 7 3.177 1.534 0.063 0.476 0.667 0.333 O 1.222 Z: 6 5.612 1.733 0.771 0.515 0.800 0.600 CB 1.007 Z: 13 9.669 1.508 0.709 0.617 0.917 0.417 CB 1.057 13 residues pruned to eliminate duplicates Z: 7 19.521 2.062 0.955 0.820 1.000 0.833 O 1.497 9 residues pruned to eliminate duplicates Z: 18 6.007 1.684 0.089 0.392 0.706 0.353 CB 1.262 Z: 15 10.390 1.874 0.747 0.463 0.786 0.500 CB 1.120 16 residues pruned to eliminate duplicates Z: 9 11.081 1.848 1.158 0.804 0.750 0.500 CB 1.004 Z: 19 15.567 1.785 0.841 0.751 0.889 0.333 CB 1.004 19 residues pruned to eliminate duplicates Z: 8 6.096 1.754 0.401 0.579 0.857 0.429 CB 1.014 Z: 8 12.360 1.909 0.254 0.907 1.000 1.000 CB 1.387 Z: 6 7.972 1.814 0.916 0.878 1.000 0.800 CB 0.744 Z: 17 13.841 1.930 0.349 0.827 0.812 0.688 CB 1.233 17 residues pruned to eliminate duplicates Z: 25 12.308 1.747 0.769 0.389 0.792 0.417 CB 1.155 12 residues pruned to eliminate duplicates Z: 6 2.907 1.451 0.718 0.354 0.800 0.400 N 0.764 Z: 13 4.066 1.741 0.178 0.398 0.500 0.417 CB 1.275 15 residues pruned to eliminate duplicates Z: 8 3.012 1.867 0.484 0.071 0.571 0.286 CB 1.258 Z: 6 3.122 1.609 0.643 0.476 0.600 0.400 N 0.902 Z: 8 5.873 1.590 0.535 0.551 0.857 0.714 CB 1.010 6 residues pruned to eliminate duplicates Z: 10 8.070 1.769 0.425 0.751 0.889 0.778 CB 0.960 Z: 16 5.653 1.645 0.459 0.246 0.600 0.333 CB 1.359 Z: 10 13.048 1.846 0.758 0.862 0.889 0.778 O 1.107 Z: 16 12.787 1.615 0.348 0.854 1.000 0.733 CB 1.120 Z: 13 9.258 1.648 0.608 0.814 0.667 0.417 CB 1.152 Z: 7 4.566 1.779 0.224 0.404 0.833 0.500 CB 1.136 Z: 7 9.095 1.916 0.434 0.547 1.000 0.500 CB 1.290 6 residues pruned to eliminate duplicates Z: 17 18.383 1.951 0.575 0.865 0.938 0.625 CB 1.169 17 residues pruned to eliminate duplicates Z: 15 15.540 1.918 0.660 0.765 0.929 0.571 CB 1.110 15 residues pruned to eliminate duplicates Z: 8 5.203 1.698 0.222 0.591 0.857 0.714 CB 1.013 6 residues pruned to eliminate duplicates Z: 19 13.251 1.742 0.539 0.868 0.833 0.722 CB 1.022 19 residues pruned to eliminate duplicates Z: 12 12.084 1.917 0.767 0.510 0.909 0.455 CB 1.171 Z: 8 6.963 1.704 0.444 0.813 0.714 0.429 CB 1.141 8 residues pruned to eliminate duplicates Z: 10 11.215 1.746 0.796 0.753 1.000 0.444 CB 0.951 16 residues pruned to eliminate duplicates Z: 8 8.079 1.817 0.661 0.465 0.714 0.429 CB 1.467 Z: 6 11.566 1.958 0.596 0.805 0.800 0.800 N 1.586 6 residues pruned to eliminate duplicates Z: 21 7.409 1.813 0.302 0.285 0.850 0.550 CB 1.051 Z: 7 5.922 1.732 0.464 0.391 0.833 0.500 CB 1.284 Z: 10 5.653 1.805 0.555 0.343 0.667 0.444 CB 1.194 6 residues pruned to eliminate duplicates Z: 13 13.145 1.674 0.697 0.817 0.833 0.667 CB 1.217 13 residues pruned to eliminate duplicates Z: 8 4.790 1.764 0.803 0.478 0.571 0.429 CB 1.019 8 residues pruned to eliminate duplicates Z: 11 9.771 1.481 0.885 0.732 0.900 0.600 CB 0.998 Z: 10 10.368 1.794 0.198 0.882 1.000 0.889 CB 1.163 10 residues pruned to eliminate duplicates Z: 7 4.980 1.756 0.399 0.821 0.833 0.833 CB 0.752 8 residues pruned to eliminate duplicates Z: 7 7.039 1.806 0.519 0.406 1.000 0.833 CB 1.157 Z: 14 10.846 1.755 0.741 0.671 0.615 0.462 O 1.366 15 residues pruned to eliminate duplicates Z: 18 22.977 1.801 0.881 0.931 0.941 0.824 CB 1.221 8 residues pruned to eliminate duplicates Z: 6 6.839 1.767 0.564 0.395 0.800 0.400 O 1.546 Z: 8 2.958 1.595 0.155 0.354 0.714 0.429 CB 0.994 Z: 11 5.227 1.666 0.309 0.322 0.800 0.400 CB 1.153 Z: 18 17.242 1.883 0.447 0.801 0.882 0.765 CB 1.337 18 residues pruned to eliminate duplicates Z: 7 6.626 1.779 0.276 0.855 0.833 0.667 CB 1.056 7 residues pruned to eliminate duplicates Z: 7 4.089 1.756 0.141 0.248 0.833 0.500 CB 1.337 Z: 17 18.841 1.886 0.693 0.814 1.000 0.688 CB 1.122 16 residues pruned to eliminate duplicates Z: 12 4.573 1.689 0.220 0.303 0.818 0.364 CB 1.018 7 residues pruned to eliminate duplicates Z: 9 4.615 1.624 0.227 0.334 0.875 0.750 CB 1.122 Z: 19 13.424 1.766 0.535 0.731 0.833 0.611 CB 1.138 19 residues pruned to eliminate duplicates Z: 11 12.976 1.765 0.542 0.850 1.000 0.800 CB 1.117 11 residues pruned to eliminate duplicates Z: 6 5.349 1.671 0.325 0.538 0.800 0.800 CB 1.301 Z: 6 5.386 1.684 0.233 0.457 0.800 0.400 N 1.515 Z: 16 18.186 1.870 0.669 0.831 0.933 0.667 CB 1.212 16 residues pruned to eliminate duplicates Z: 9 8.212 1.626 0.474 0.839 0.875 0.750 CB 1.034 Z: 23 6.975 1.711 0.403 0.343 0.727 0.500 CB 1.010 32 residues pruned to eliminate duplicates Z: 7 3.618 1.533 -0.129 0.832 0.833 0.500 CB 0.996 8 residues pruned to eliminate duplicates Z: 9 11.669 1.747 0.360 0.838 0.875 0.625 CB 1.484 Z: 13 15.371 1.755 0.564 0.882 1.000 0.917 CB 1.169 13 residues pruned to eliminate duplicates Z: 9 4.960 1.631 0.456 0.423 1.000 0.875 CB 0.800 9 residues pruned to eliminate duplicates Z: 11 8.953 1.691 0.629 0.823 0.900 0.400 CB 0.863 11 residues pruned to eliminate duplicates Z: 12 5.583 1.672 0.281 0.373 0.727 0.455 CB 1.238 6 residues pruned to eliminate duplicates Z: 9 7.678 1.951 0.379 0.538 0.875 0.625 CB 1.111 9 residues pruned to eliminate duplicates Z: 21 27.964 1.985 0.811 0.918 0.950 0.750 CB 1.291 21 residues pruned to eliminate duplicates Z: 12 14.641 1.682 0.651 0.812 0.909 0.636 CB 1.333 12 residues pruned to eliminate duplicates Z: 8 4.803 1.640 0.371 0.849 0.714 0.714 CB 0.838 Z: 10 5.696 1.609 0.713 0.314 0.667 0.556 N 1.270 Z: 9 12.159 1.772 0.667 0.769 0.875 0.375 N 1.310 8 residues pruned to eliminate duplicates Z: 11 23.021 2.030 0.681 0.875 1.000 0.900 O 1.551 11 residues pruned to eliminate duplicates Z: 10 7.563 1.843 0.630 0.888 1.000 0.778 CB 0.605 6 residues pruned to eliminate duplicates Z: 8 6.216 1.684 0.359 0.592 0.857 0.429 CB 1.097 Z: 13 23.455 1.823 1.391 0.878 1.000 0.667 CB 1.127 13 residues pruned to eliminate duplicates Z: 9 6.431 1.735 0.713 0.602 0.750 0.500 CB 0.925 9 residues pruned to eliminate duplicates Z: 10 4.487 1.435 0.236 0.454 0.889 0.667 N 0.994 10 residues pruned to eliminate duplicates Z: 9 7.852 1.599 0.723 0.778 0.875 0.625 CB 0.901 Z: 43 19.404 1.843 0.714 0.418 0.810 0.500 CB 1.275 32 residues pruned to eliminate duplicates Z: 6 6.171 1.695 0.218 0.586 1.000 0.600 N 1.231 Z: 12 11.326 1.560 0.514 0.884 1.000 0.909 CB 1.045 10 residues pruned to eliminate duplicates Z: 7 5.149 1.636 0.487 0.669 0.833 0.500 CB 0.887 7 residues pruned to eliminate duplicates Z: 10 3.316 1.514 0.670 0.681 0.778 0.556 CB 0.476 8 residues pruned to eliminate duplicates Z: 10 7.878 1.823 0.607 0.563 0.889 0.444 CB 0.949 Z: 11 4.476 1.571 0.220 0.473 0.700 0.400 CB 1.085 Z: 13 6.289 1.716 0.756 0.509 0.750 0.417 CB 0.796 8 residues pruned to eliminate duplicates Z: 7 3.025 1.716 0.182 0.559 0.667 0.500 CB 0.862 Z: 11 9.346 1.780 0.562 0.810 0.900 0.900 CB 0.902 7 residues pruned to eliminate duplicates Z: 8 13.139 1.890 0.584 0.802 0.857 0.714 O 1.486 8 residues pruned to eliminate duplicates Z: 12 8.265 1.813 0.694 0.640 0.636 0.636 CB 1.119 Z: 10 5.101 1.555 0.490 0.307 0.778 0.667 N 1.169 Z: 10 6.728 1.713 0.517 0.512 0.667 0.444 O 1.279 Z: 11 4.944 1.669 0.447 0.254 0.800 0.300 N 1.074 Z: 13 11.257 1.562 0.440 0.791 0.917 0.583 CB 1.221 13 residues pruned to eliminate duplicates Z: 6 2.327 1.256 0.734 0.457 0.600 0.400 CB 0.833 Z: 9 8.523 1.778 0.476 0.874 1.000 0.750 CB 0.836 Z: 21 26.983 1.940 0.634 0.880 1.000 0.600 CB 1.379 21 residues pruned to eliminate duplicates Z: 13 15.287 1.914 0.773 0.717 0.917 0.583 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 6.163 1.780 0.250 0.784 1.000 0.667 CB 0.881 7 residues pruned to eliminate duplicates Z: 9 11.410 1.784 0.381 0.887 1.000 1.000 CB 1.181 9 residues pruned to eliminate duplicates Z: 12 21.071 2.041 0.694 0.874 1.000 1.000 CB 1.337 12 residues pruned to eliminate duplicates Z: 7 3.694 1.621 0.224 0.346 1.000 0.500 CB 0.898 Z: 8 11.127 2.065 0.597 0.667 0.857 0.286 CB 1.275 8 residues pruned to eliminate duplicates Z: 13 9.232 1.823 0.212 0.446 0.917 0.250 CB 1.391 7 residues pruned to eliminate duplicates Z: 8 9.133 1.709 0.434 0.787 0.857 0.857 CB 1.277 7 residues pruned to eliminate duplicates Z: 10 11.386 1.910 0.620 0.647 0.667 0.556 N 1.604 Z: 14 6.997 1.777 0.124 0.271 0.923 0.538 CB 1.366 Z: 8 4.532 1.722 0.249 0.384 0.857 0.429 N 1.051 Z: 7 8.359 1.804 0.456 0.606 0.833 0.500 CB 1.409 7 residues pruned to eliminate duplicates Z: 6 5.741 1.618 0.596 0.672 1.000 0.600 CB 0.849 Z: 8 3.852 1.676 0.266 0.647 0.714 0.571 CB 0.838 8 residues pruned to eliminate duplicates Z: 6 7.356 1.845 0.517 0.801 1.000 0.600 CB 0.904 6 residues pruned to eliminate duplicates Z: 18 7.495 1.582 0.728 0.384 0.706 0.412 CB 1.066 Z: 11 9.691 1.760 0.662 0.746 0.800 0.700 CB 1.051 11 residues pruned to eliminate duplicates Z: 8 10.132 1.662 0.334 0.826 1.000 0.714 CB 1.303 Z: 8 6.559 1.769 1.038 0.894 1.000 0.714 CB 0.493 Z: 7 4.096 1.651 0.283 0.580 0.667 0.500 CB 1.097 Z: 7 3.144 1.425 0.016 0.620 0.833 0.500 CB 0.949 Z: 12 8.123 1.920 0.289 0.725 0.818 0.727 CB 0.988 15 residues pruned to eliminate duplicates Z: 11 8.952 1.775 0.566 0.859 0.900 0.800 CB 0.832 10 residues pruned to eliminate duplicates Z: 13 8.326 1.687 0.543 0.784 0.833 0.583 CB 0.863 13 residues pruned to eliminate duplicates Z: 11 8.898 1.508 0.690 0.816 1.000 0.500 CB 0.839 Z: 7 3.418 1.408 0.365 0.409 0.833 0.667 CB 0.959 Z: 7 10.377 1.996 0.412 0.884 1.000 1.000 CB 1.085 9 residues pruned to eliminate duplicates Z: 10 7.965 1.769 0.679 0.731 0.778 0.667 CB 0.934 10 residues pruned to eliminate duplicates Z: 7 3.684 1.576 0.407 0.613 0.667 0.333 O 0.914 Z: 7 7.219 1.869 -0.115 0.885 1.000 1.000 O 1.286 7 residues pruned to eliminate duplicates Z: 44 15.821 1.846 0.623 0.362 0.767 0.442 CB 1.217 38 residues pruned to eliminate duplicates 6 1.965 1.328 0.493 0.413 0.600 0.400 N 0.809 ? Z: 7 6.403 1.800 0.201 0.910 1.000 1.000 CB 0.857 Z: 17 23.597 1.953 0.673 0.815 0.938 0.688 CB 1.465 30 residues pruned to eliminate duplicates Z: 7 2.681 1.778 0.042 0.284 0.667 0.500 CB 1.130 Z: 6 2.343 1.119 0.727 0.362 0.800 0.400 N 0.786 Z: 9 5.223 1.685 0.191 0.765 0.875 0.375 CB 0.831 Z: 9 12.896 1.859 0.299 0.866 1.000 0.875 CB 1.382 8 residues pruned to eliminate duplicates Z: 6 2.607 1.242 0.497 0.501 0.600 0.600 CA 1.044 Z: 16 7.498 1.854 0.282 0.331 0.867 0.533 CB 1.131 17 residues pruned to eliminate duplicates Z: 6 2.222 1.249 0.617 0.455 0.800 0.600 CB 0.644 Z: 7 2.584 1.271 0.210 0.761 1.000 0.667 CB 0.544 Z: 6 3.712 1.377 0.576 0.575 0.800 0.600 CB 0.890 Z: 14 9.380 1.605 0.718 0.798 0.769 0.385 CB 0.945 14 residues pruned to eliminate duplicates Z: 9 3.888 1.550 0.099 0.220 0.875 0.500 O 1.281 9 residues pruned to eliminate duplicates Z: 6 3.043 1.535 0.570 0.504 0.600 0.400 CB 0.937 6 residues pruned to eliminate duplicates 7 1.165 1.484 0.176 0.314 0.500 0.333 CB 0.669 ? Z: 19 18.587 1.899 0.540 0.844 0.944 0.667 CB 1.180 19 residues pruned to eliminate duplicates Z: 11 4.474 1.248 0.263 0.792 0.800 0.700 CB 0.869 Z: 11 10.305 1.856 0.338 0.334 1.000 0.500 CB 1.573 Z: 9 9.060 1.631 0.586 0.746 0.750 0.375 CB 1.325 12 residues pruned to eliminate duplicates Z: 37 8.332 1.624 0.438 0.331 0.694 0.333 CB 1.030 43 residues pruned to eliminate duplicates Z: 12 8.542 1.829 0.712 0.737 0.909 0.727 CB 0.731 Z: 6 7.139 1.710 1.068 0.594 0.800 0.600 CB 1.031 Z: 6 4.242 1.530 0.419 0.749 1.000 0.800 CB 0.700 Z: 14 9.659 1.603 0.692 0.732 0.692 0.615 CB 1.158 11 residues pruned to eliminate duplicates Z: 7 2.819 1.391 0.182 0.733 0.833 0.833 CB 0.681 Z: 8 5.285 1.254 0.394 0.682 1.000 0.714 N 0.967 Z: 9 4.655 1.375 0.636 0.351 0.875 0.625 CB 0.983 9 residues pruned to eliminate duplicates Z: 6 2.391 1.514 0.689 0.290 0.600 0.400 N 0.882 Z: 22 11.347 1.817 0.178 0.461 0.810 0.429 N 1.488 9 residues pruned to eliminate duplicates Z: 11 2.251 1.545 0.726 0.288 0.600 0.300 CB 0.565 11 residues pruned to eliminate duplicates Z: 9 6.538 1.798 0.339 0.486 0.875 0.625 CB 1.112 Z: 10 3.107 1.697 0.532 0.259 0.556 0.333 CB 0.945 Z: 12 4.880 1.670 -0.021 0.699 0.909 0.455 CB 0.826 8 residues pruned to eliminate duplicates Z: 6 7.033 1.849 0.782 0.509 0.800 0.600 CB 1.184 Z: 7 4.223 1.372 0.354 0.780 0.833 0.500 CB 0.870 Z: 12 12.548 1.944 0.692 0.507 0.818 0.636 CB 1.397 12 residues pruned to eliminate duplicates 6 1.783 1.324 0.175 0.246 0.800 0.400 CB 0.858 ? Z: 8 2.454 1.537 0.027 0.352 0.857 0.429 CB 0.804 Z: 7 6.639 1.686 0.839 0.543 0.833 0.500 CB 1.005 Z: 8 2.977 1.412 0.048 0.291 1.000 0.571 CB 0.961 Z: 13 5.845 1.512 0.651 0.451 0.667 0.333 CB 1.065 Z: 11 14.118 1.688 0.536 0.838 1.000 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 38 17.287 1.823 0.644 0.496 0.811 0.514 CB 1.175 56 residues pruned to eliminate duplicates Z: 9 7.801 1.655 0.310 0.770 1.000 0.875 CB 1.002 9 residues pruned to eliminate duplicates Z: 7 5.460 1.637 0.643 0.378 0.667 0.500 N 1.415 Z: 8 3.131 1.434 0.322 0.807 0.857 0.714 CB 0.557 Z: 9 7.210 1.546 0.829 0.557 0.875 0.625 CB 0.975 Z: 10 7.261 1.536 0.476 0.830 0.889 0.667 CB 0.903 Z: 6 4.360 1.554 0.606 0.604 0.800 0.600 CB 0.885 Z: 7 2.314 1.509 0.393 0.309 0.500 0.333 CB 1.111 7 residues pruned to eliminate duplicates Z: 10 7.957 1.831 0.822 0.780 0.889 0.444 CB 0.699 10 residues pruned to eliminate duplicates Z: 12 3.239 1.589 0.835 0.328 0.636 0.364 CB 0.636 Z: 30 19.885 1.851 0.572 0.508 0.897 0.621 CB 1.405 31 residues pruned to eliminate duplicates Z: 7 4.001 1.547 0.225 0.501 0.833 0.500 CB 1.033 7 residues pruned to eliminate duplicates Z: 13 10.946 1.754 1.072 0.374 0.667 0.250 N 1.493 13 residues pruned to eliminate duplicates Z: 8 4.451 1.649 -0.044 0.831 1.000 1.000 CB 0.802 8 residues pruned to eliminate duplicates Z: 14 6.929 1.685 0.587 0.485 0.923 0.538 CB 0.790 Z: 14 19.596 1.900 0.533 0.890 1.000 0.846 CB 1.343 14 residues pruned to eliminate duplicates 6 1.217 1.187 0.436 0.297 0.800 0.600 CB 0.500 ? Z: 12 6.080 1.666 0.278 0.829 1.000 0.909 CB 0.648 Z: 6 7.102 1.895 0.571 0.830 0.800 0.800 CB 1.002 Z: 29 15.467 1.850 0.540 0.444 0.786 0.607 CB 1.383 29 residues pruned to eliminate duplicates Z: 16 5.362 1.615 0.418 0.320 0.867 0.200 CB 0.851 Z: 9 4.761 1.540 0.696 0.442 0.625 0.375 CB 1.095 Z: 7 5.633 1.540 0.706 0.505 0.833 0.500 N 1.046 Z: 13 5.788 1.655 0.297 0.486 0.750 0.417 CB 1.053 Z: 7 3.516 1.619 -0.038 0.281 1.000 0.333 N 1.179 Z: 11 6.563 1.648 0.339 0.749 0.900 0.700 CB 0.836 11 residues pruned to eliminate duplicates Z: 7 2.588 1.577 0.515 0.404 0.500 0.333 N 0.978 Z: 8 3.366 1.676 -0.071 0.236 0.857 0.429 N 1.295 Z: 8 5.118 1.720 0.446 0.433 0.714 0.571 CB 1.166 Z: 6 5.744 1.678 0.534 0.607 0.800 0.800 CB 1.126 6 residues pruned to eliminate duplicates Z: 6 8.895 1.494 0.832 0.718 1.000 0.800 N 1.194 Z: 15 5.259 1.605 0.154 0.377 0.857 0.500 CB 1.009 Z: 8 6.618 1.528 0.374 0.759 1.000 0.571 CB 0.946 6 residues pruned to eliminate duplicates Z: 7 3.325 1.316 0.361 0.698 1.000 0.500 CB 0.633 7 residues pruned to eliminate duplicates Z: 8 4.361 1.513 0.348 0.243 0.857 0.429 O 1.269 Z: 6 3.715 1.677 0.313 0.447 0.800 0.400 CB 0.996 Z: 10 4.510 1.420 0.338 0.290 0.889 0.667 CB 1.128 Z: 11 4.598 1.609 -0.126 0.676 0.800 0.600 CB 1.099 11 residues pruned to eliminate duplicates Z: 15 20.929 1.944 0.480 0.828 1.000 0.929 CB 1.464 15 residues pruned to eliminate duplicates Z: 22 9.248 1.860 0.550 0.390 0.762 0.429 CB 1.033 23 residues pruned to eliminate duplicates Z: 9 5.818 1.657 0.037 0.763 0.875 0.625 CB 1.083 8 residues pruned to eliminate duplicates Z: 9 7.943 1.755 0.293 0.892 1.000 0.750 CB 0.889 Z: 10 3.906 1.446 0.273 0.364 0.778 0.444 CB 1.053 Z: 10 15.047 1.752 0.576 0.903 1.000 1.000 CB 1.295 10 residues pruned to eliminate duplicates Z: 17 15.382 1.889 0.602 0.816 0.812 0.438 CB 1.189 17 residues pruned to eliminate duplicates Z: 6 3.059 1.513 0.951 0.272 0.600 0.600 CB 1.001 Z: 8 4.293 1.510 0.545 0.756 0.857 0.571 CB 0.646 8 residues pruned to eliminate duplicates Z: 7 2.682 1.387 0.569 0.386 0.500 0.500 C 1.135 Z: 6 4.319 1.589 0.342 0.764 1.000 0.800 CB 0.717 Z: 12 11.087 1.796 0.941 0.827 0.818 0.545 CB 0.884 12 residues pruned to eliminate duplicates Z: 7 3.989 1.606 0.171 0.413 0.833 0.333 CB 1.139 6 1.969 1.225 0.378 0.469 0.800 0.600 CB 0.673 ? Z: 6 3.156 1.607 0.520 0.289 0.600 0.400 CB 1.220 Z: 10 4.529 1.477 -0.031 0.746 0.889 0.778 CB 0.953 Z: 9 8.380 1.669 0.540 0.453 1.000 0.750 CB 1.211 Z: 6 2.812 1.413 0.517 0.456 0.600 0.400 N 1.023 Z: 9 3.430 1.326 0.130 0.689 0.875 0.500 CB 0.778 8 residues pruned to eliminate duplicates Z: 12 3.411 1.555 0.222 0.281 0.636 0.364 CB 1.090 9 residues pruned to eliminate duplicates Z: 9 9.715 1.698 0.654 0.860 1.000 0.750 CB 0.900 Z: 6 3.584 1.493 0.177 0.700 1.000 0.800 N 0.760 Z: 22 10.777 1.761 0.700 0.443 0.714 0.286 CB 1.166 21 residues pruned to eliminate duplicates Z: 9 8.812 1.732 0.197 0.753 1.000 0.625 CB 1.200 7 residues pruned to eliminate duplicates Z: 11 8.240 1.614 0.282 0.761 0.900 0.900 CB 1.109 17 residues pruned to eliminate duplicates Z: 24 7.400 1.765 0.249 0.307 0.739 0.522 CB 1.173 17 residues pruned to eliminate duplicates 6 1.760 1.610 0.028 0.666 1.000 0.800 CB 0.408 ? Z: 8 5.087 1.741 0.354 0.570 0.857 0.714 CB 0.889 Z: 8 5.128 1.553 0.445 0.554 0.714 0.143 CB 1.146 Z: 8 4.301 1.389 0.561 0.409 0.857 0.714 CB 0.962 Z: 6 2.898 1.268 0.944 0.525 0.600 0.200 N 0.855 Z: 11 11.992 1.720 1.033 0.774 1.000 0.700 CB 0.851 11 residues pruned to eliminate duplicates Z: 11 4.624 1.532 0.292 0.317 0.700 0.400 N 1.292 12 residues pruned to eliminate duplicates Z: 36 17.208 1.720 0.545 0.457 0.914 0.657 CB 1.251 49 residues pruned to eliminate duplicates Z: 8 4.053 1.545 0.421 0.414 0.714 0.286 CB 1.069 10 1.933 1.499 0.158 0.258 0.667 0.333 CB 0.735 ? Z: 18 6.769 1.567 0.676 0.367 0.706 0.353 CB 1.022 22 residues pruned to eliminate duplicates Z: 6 2.045 1.352 -0.003 0.300 0.800 0.600 O 1.061 Z: 10 9.299 1.741 0.782 0.712 0.778 0.667 CB 1.060 10 residues pruned to eliminate duplicates Z: 7 2.326 1.345 0.395 0.204 0.667 0.500 CB 1.078 Z: 10 16.708 1.690 0.936 0.918 1.000 0.889 CB 1.201 11 residues pruned to eliminate duplicates 8 1.511 1.631 -0.099 0.520 0.857 0.429 CB 0.444 ? Z: 8 9.040 1.736 0.429 0.878 1.000 1.000 CB 0.999 8 residues pruned to eliminate duplicates Z: 6 2.466 1.566 0.643 0.280 0.600 0.400 CB 0.916 Z: 11 4.626 1.426 0.644 0.245 0.800 0.300 CB 1.048 Z: 12 5.398 1.591 0.033 0.484 0.909 0.818 N 1.106 Z: 15 21.813 1.876 0.765 0.901 1.000 0.857 CB 1.256 14 residues pruned to eliminate duplicates Z: 16 8.079 1.696 0.393 0.375 0.733 0.533 N 1.376 16 residues pruned to eliminate duplicates Z: 13 16.341 1.877 0.454 0.769 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 6 2.331 1.201 0.825 0.377 0.600 0.400 O 0.904 Z: 17 10.085 1.677 0.505 0.523 0.750 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 13 7.900 1.595 0.608 0.660 0.750 0.417 CB 1.022 Z: 8 12.862 1.811 0.574 0.872 1.000 0.857 CB 1.244 8 residues pruned to eliminate duplicates Z: 8 7.109 1.426 0.746 0.811 1.000 0.571 CB 0.823 8 residues pruned to eliminate duplicates Z: 10 7.926 1.944 0.312 0.390 0.778 0.444 CB 1.496 10 residues pruned to eliminate duplicates Z: 11 9.417 1.620 0.513 0.591 1.000 0.700 CB 1.113 12 residues pruned to eliminate duplicates Z: 6 4.477 1.631 0.230 0.472 1.000 1.000 CB 1.027 Z: 8 5.857 1.673 0.469 0.458 0.714 0.714 CB 1.317 8 residues pruned to eliminate duplicates 6 1.741 1.657 0.850 0.366 0.800 0.400 CB 0.367 ? Z: 6 2.489 1.558 0.413 0.147 0.800 0.600 O 0.978 6 residues pruned to eliminate duplicates Z: 6 5.686 1.590 0.499 0.704 1.000 0.800 CB 0.886 Z: 6 5.628 1.540 0.944 0.866 1.000 1.000 CB 0.616 5 residues pruned to eliminate duplicates Z: 18 7.354 1.701 0.215 0.396 0.765 0.529 CB 1.260 23 residues pruned to eliminate duplicates Z: 11 9.067 1.507 0.621 0.813 1.000 0.700 O 0.894 11 residues pruned to eliminate duplicates Z: 13 4.934 1.803 0.854 0.321 0.667 0.333 CB 0.779 Z: 6 2.409 1.598 0.068 0.193 0.800 0.200 CB 1.139 6 residues pruned to eliminate duplicates Z: 9 2.969 1.571 0.241 0.287 0.625 0.500 CB 1.094 Z: 9 4.188 1.503 0.789 0.342 0.625 0.625 O 1.047 9 residues pruned to eliminate duplicates Z: 13 7.151 1.829 0.672 0.575 0.833 0.250 CB 0.754 11 residues pruned to eliminate duplicates Z: 6 2.555 1.561 0.389 0.269 0.800 0.400 CB 0.857 Z: 7 6.532 1.658 0.309 0.659 0.833 0.500 N 1.272 Z: 14 17.011 1.853 0.464 0.844 1.000 0.538 CB 1.294 14 residues pruned to eliminate duplicates Z: 12 10.111 1.398 0.457 0.881 1.000 0.909 CB 1.084 Z: 10 6.632 1.619 0.689 0.470 0.778 0.556 CB 1.071 Z: 11 6.234 1.653 0.239 0.384 0.800 0.400 O 1.361 11 residues pruned to eliminate duplicates Z: 9 2.888 1.555 0.174 0.268 0.625 0.375 CB 1.166 Z: 10 4.892 1.678 0.608 0.240 0.778 0.444 N 1.050 Z: 9 2.679 1.343 0.658 0.180 0.625 0.250 C 1.000 Z: 8 4.028 1.567 -0.061 0.621 0.857 0.571 N 1.077 Z: 12 16.936 1.868 0.635 0.681 0.909 0.727 O 1.557 12 residues pruned to eliminate duplicates Z: 11 12.154 1.607 0.482 0.862 1.000 0.700 CB 1.185 11 residues pruned to eliminate duplicates Z: 7 4.947 1.449 0.177 0.700 1.000 0.833 CB 0.987 7 residues pruned to eliminate duplicates Z: 19 11.181 1.662 0.460 0.486 0.889 0.611 CB 1.238 19 residues pruned to eliminate duplicates Z: 7 7.627 1.631 0.592 0.721 0.833 0.667 CB 1.179 Z: 15 7.074 1.658 0.267 0.428 0.929 0.571 CB 1.045 24 residues pruned to eliminate duplicates Z: 12 5.724 1.617 0.331 0.520 0.818 0.364 CB 0.961 11 residues pruned to eliminate duplicates Z: 31 18.998 1.874 0.471 0.530 0.933 0.600 CB 1.309 31 residues pruned to eliminate duplicates Z: 9 7.617 1.792 0.364 0.622 1.000 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 8 4.587 1.540 0.264 0.549 0.857 0.571 CB 0.991 8 residues pruned to eliminate duplicates Z: 14 12.812 1.555 0.536 0.906 1.000 0.923 CB 1.058 14 residues pruned to eliminate duplicates Z: 8 2.152 1.536 0.309 0.348 0.571 0.286 CB 0.835 Z: 6 4.334 1.526 0.377 0.558 0.800 0.400 N 1.090 Z: 6 3.086 1.415 0.212 0.287 0.800 0.600 O 1.278 6 1.971 1.372 0.111 0.616 0.600 0.600 CB 0.864 ? Z: 12 4.631 1.570 1.088 0.271 0.455 0.364 CB 1.215 Z: 7 2.521 1.184 0.273 0.373 1.000 0.333 O 0.782 Z: 12 11.100 1.818 0.470 0.813 1.000 0.818 CB 0.954 15 residues pruned to eliminate duplicates Z: 9 2.936 1.494 0.628 0.232 0.750 0.500 CB 0.778 Z: 7 5.719 1.484 0.372 0.611 0.833 0.667 CB 1.238 Z: 8 9.616 1.693 0.667 0.832 0.857 0.857 CB 1.128 8 residues pruned to eliminate duplicates 6 1.775 1.294 0.662 0.300 0.800 0.600 CB 0.577 ? Z: 7 4.460 1.617 0.547 0.466 0.667 0.667 CB 1.130 Z: 17 14.594 1.505 0.594 0.886 1.000 0.750 CB 1.098 16 residues pruned to eliminate duplicates 6 1.935 1.279 -0.043 0.520 1.000 0.400 CB 0.693 ? Z: 8 2.319 1.393 0.197 0.461 0.857 0.714 N 0.639 Z: 13 4.859 1.565 0.455 0.386 0.750 0.500 CB 0.928 6 1.796 1.317 0.144 0.276 0.800 0.600 CB 0.858 ? Z: 7 5.215 1.527 0.928 0.615 0.833 0.667 CB 0.779 Z: 7 4.827 1.485 0.495 0.389 0.833 0.500 CA 1.198 7 residues pruned to eliminate duplicates Z: 11 7.847 1.622 0.558 0.436 0.800 0.500 CB 1.311 Z: 14 13.422 1.511 0.686 0.804 1.000 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 9 8.027 1.646 0.177 0.598 1.000 0.750 CB 1.334 8 residues pruned to eliminate duplicates Z: 15 19.249 1.888 1.107 0.860 0.929 0.357 CB 1.024 15 residues pruned to eliminate duplicates Z: 9 3.217 1.511 0.930 0.193 0.625 0.250 CB 0.900 Z: 7 5.162 1.519 0.185 0.541 1.000 0.833 N 1.124 7 residues pruned to eliminate duplicates Z: 6 5.159 1.487 0.526 0.510 0.800 0.600 N 1.258 Z: 7 3.439 1.538 0.713 0.828 0.833 0.833 CB 0.482 14 residues pruned to eliminate duplicates Z: 13 3.150 1.549 0.195 0.362 0.667 0.250 CB 0.855 Z: 13 5.367 1.403 0.394 0.463 0.750 0.333 O 1.096 Z: 8 6.318 1.722 0.322 0.624 0.857 0.571 CB 1.088 7 residues pruned to eliminate duplicates Z: 15 19.958 1.903 0.683 0.915 1.000 0.929 CB 1.177 15 residues pruned to eliminate duplicates 6 1.999 1.513 0.678 0.432 0.600 0.400 CB 0.630 ? Z: 10 3.452 1.361 0.222 0.307 1.000 0.333 CB 0.858 Z: 7 5.087 1.656 0.482 0.519 0.833 0.500 N 0.997 Z: 7 2.741 1.543 0.303 0.604 0.833 0.667 CB 0.605 Z: 9 10.596 1.774 0.697 0.852 0.625 0.625 N 1.473 9 residues pruned to eliminate duplicates Z: 8 3.804 1.920 0.038 0.377 0.571 0.286 N 1.439 8 residues pruned to eliminate duplicates Z: 16 6.993 1.648 0.829 0.315 0.733 0.400 CB 1.002 7 1.550 1.323 0.546 0.269 0.667 0.333 CB 0.603 ? Z: 8 3.016 1.440 0.196 0.434 0.714 0.286 CB 0.992 Z: 7 4.163 1.532 0.574 0.383 0.833 0.500 N 0.958 Z: 12 3.868 1.518 0.232 0.356 0.727 0.545 CB 1.002 Z: 11 10.582 1.639 0.357 0.871 1.000 0.900 CB 1.098 11 residues pruned to eliminate duplicates Z: 7 4.398 1.427 0.671 0.841 0.833 0.500 CB 0.674 Z: 8 6.276 1.525 0.849 0.824 0.714 0.571 CB 0.889 10 residues pruned to eliminate duplicates Z: 9 5.794 1.651 0.218 0.862 1.000 0.875 CB 0.748 7 residues pruned to eliminate duplicates Z: 6 2.935 1.529 0.600 0.645 0.400 0.200 N 1.172 Z: 11 4.864 1.621 0.476 0.516 0.600 0.500 N 1.054 11 residues pruned to eliminate duplicates Z: 8 3.076 1.619 0.523 0.242 0.571 0.429 CB 1.111 Z: 9 5.648 1.821 0.641 0.254 0.625 0.500 O 1.418 Z: 7 6.190 1.415 0.817 0.781 1.000 0.500 CB 0.767 Z: 10 12.452 1.912 0.778 0.642 0.889 0.556 CB 1.202 10 residues pruned to eliminate duplicates Z: 15 13.390 1.558 0.512 0.863 1.000 0.714 CB 1.114 15 residues pruned to eliminate duplicates 6 1.680 1.347 0.129 0.276 0.600 0.600 O 1.062 ? Z: 10 8.544 1.692 0.632 0.620 0.778 0.778 CB 1.184 10 residues pruned to eliminate duplicates Z: 6 2.872 1.548 0.309 0.579 0.600 0.400 O 0.979 Z: 7 3.879 1.446 0.432 0.390 1.000 0.833 CB 0.860 Z: 8 2.632 1.099 0.406 0.723 0.857 0.571 N 0.614 Z: 11 5.682 1.461 0.544 0.829 0.700 0.500 CB 0.856 11 residues pruned to eliminate duplicates Z: 13 13.840 1.877 0.857 0.575 0.750 0.500 CB 1.421 13 residues pruned to eliminate duplicates Z: 10 3.433 1.547 0.197 0.311 0.667 0.444 CB 1.143 Z: 7 3.320 1.291 0.320 0.407 1.000 0.333 CB 0.877 Z: 7 3.938 1.409 0.447 0.471 1.000 0.500 CB 0.812 Z: 9 4.517 1.502 0.230 0.703 0.875 0.750 CB 0.821 Z: 9 7.271 1.592 0.356 0.603 0.875 0.625 O 1.235 Z: 9 4.653 1.573 0.375 0.439 0.875 0.625 CB 0.926 Z: 6 4.470 1.456 0.071 0.631 1.000 0.800 N 1.134 Z: 23 14.686 1.795 0.729 0.470 0.864 0.682 CB 1.204 46 residues pruned to eliminate duplicates Z: 10 6.740 1.320 0.822 0.782 1.000 0.667 CB 0.728 Z: 9 2.980 1.331 0.309 0.290 0.750 0.500 CB 1.020 Z: 16 4.779 1.613 0.184 0.433 0.733 0.467 CB 0.944 16 residues pruned to eliminate duplicates Z: 6 3.625 1.197 0.774 0.859 1.000 0.800 CB 0.562 Z: 6 3.303 1.212 0.542 0.720 0.800 0.200 N 0.810 Using tripeptides from previous cycle as seeds Z: 28 17.088 1.897 0.637 0.458 0.852 0.481 CB 1.298 22 residues pruned to eliminate duplicates Z: 6 4.228 1.545 0.882 0.283 1.000 0.600 O 0.830 6 residues pruned to eliminate duplicates Z: 21 12.074 1.910 0.402 0.538 0.750 0.500 CB 1.296 21 residues pruned to eliminate duplicates Z: 9 8.227 1.942 0.334 0.551 0.750 0.625 CB 1.424 9 residues pruned to eliminate duplicates Z: 10 12.752 2.021 0.559 0.568 0.778 0.778 CB 1.625 10 residues pruned to eliminate duplicates Z: 11 7.712 1.684 0.664 0.425 0.800 0.400 N 1.176 11 residues pruned to eliminate duplicates Z: 12 8.194 1.829 0.154 0.538 0.909 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 23 7.682 1.636 0.475 0.376 0.727 0.455 CB 1.066 18 residues pruned to eliminate duplicates Z: 9 12.252 1.855 0.378 0.891 1.000 1.000 CB 1.218 9 residues pruned to eliminate duplicates Z: 14 6.933 1.731 0.166 0.477 0.846 0.538 CB 1.152 14 residues pruned to eliminate duplicates Z: 9 7.099 1.807 0.515 0.722 0.875 0.625 CB 0.857 9 residues pruned to eliminate duplicates Z: 12 6.921 1.816 0.333 0.434 0.727 0.545 CB 1.269 12 residues pruned to eliminate duplicates Z: 6 5.013 1.622 0.560 0.364 0.800 0.400 CB 1.282 Z: 10 8.793 1.507 0.717 0.667 0.889 0.556 CB 1.092 16 residues pruned to eliminate duplicates Z: 39 23.087 1.828 0.687 0.549 0.947 0.632 CB 1.221 28 residues pruned to eliminate duplicates Z: 9 8.645 1.583 0.744 0.697 1.000 0.500 CB 0.925 9 residues pruned to eliminate duplicates Z: 12 5.401 1.463 0.147 0.613 0.818 0.818 CB 1.066 14 residues pruned to eliminate duplicates Z: 10 14.100 1.619 0.623 0.870 1.000 0.778 CB 1.305 11 residues pruned to eliminate duplicates Z: 7 9.653 1.774 0.594 0.878 0.833 0.667 CB 1.214 7 residues pruned to eliminate duplicates Z: 16 8.512 1.694 0.418 0.531 0.800 0.533 CB 1.110 10 residues pruned to eliminate duplicates Z: 6 6.919 1.741 0.860 0.621 0.800 0.400 CB 1.065 6 residues pruned to eliminate duplicates Z: 10 4.974 1.807 0.574 0.451 0.667 0.444 CB 0.920 10 residues pruned to eliminate duplicates Z: 11 5.405 1.763 0.414 0.403 0.800 0.700 CB 0.949 11 residues pruned to eliminate duplicates Z: 9 8.173 1.791 0.348 0.575 0.875 0.750 CB 1.273 9 residues pruned to eliminate duplicates Z: 10 6.209 1.729 0.398 0.504 0.889 0.556 CB 0.960 10 residues pruned to eliminate duplicates Z: 6 8.373 1.959 0.548 0.582 1.000 0.800 CB 1.141 6 residues pruned to eliminate duplicates Z: 8 5.049 1.791 0.292 0.388 0.714 0.571 CB 1.301 11 residues pruned to eliminate duplicates Z: 8 9.378 1.744 0.339 0.846 1.000 0.571 CB 1.128 7 residues pruned to eliminate duplicates Z: 9 10.451 1.709 0.507 0.874 1.000 0.875 CB 1.044 9 residues pruned to eliminate duplicates Z: 10 10.233 1.545 0.644 0.841 1.000 0.667 CB 1.001 9 residues pruned to eliminate duplicates Z: 9 8.894 1.652 0.479 0.842 1.000 0.750 CB 0.959 9 residues pruned to eliminate duplicates Z: 8 10.189 1.753 0.441 0.857 1.000 0.857 CB 1.124 8 residues pruned to eliminate duplicates Z: 9 9.144 1.700 0.388 0.855 1.000 0.750 CB 1.011 9 residues pruned to eliminate duplicates Z: 9 7.856 1.588 0.316 0.860 1.000 1.000 CB 0.977 9 residues pruned to eliminate duplicates Z: 9 4.710 1.360 0.435 0.382 0.875 0.250 O 1.105 9 residues pruned to eliminate duplicates Z: 12 4.920 1.356 0.188 0.691 0.818 0.455 O 0.944 12 residues pruned to eliminate duplicates Z: 9 4.725 1.450 0.215 0.677 0.750 0.625 O 1.074 9 residues pruned to eliminate duplicates Z: 9 6.683 1.492 0.308 0.705 0.875 0.625 CB 1.148 9 residues pruned to eliminate duplicates Z: 10 7.857 1.478 0.329 0.737 0.889 0.556 CB 1.212 10 residues pruned to eliminate duplicates Z: 10 3.549 1.428 0.220 0.473 0.667 0.111 N 1.046 10 residues pruned to eliminate duplicates Z: 8 4.083 1.520 0.070 0.674 0.714 0.429 N 1.131 8 residues pruned to eliminate duplicates Z: 10 4.748 1.356 0.295 0.627 0.778 0.556 N 1.029 10 residues pruned to eliminate duplicates Z: 8 6.528 1.376 0.329 0.679 1.000 0.857 CB 1.144 6 residues pruned to eliminate duplicates Z: 12 10.292 1.526 0.524 0.812 1.000 0.636 CB 1.017 10 residues pruned to eliminate duplicates Z: 7 5.947 1.760 0.289 0.642 0.833 0.500 CB 1.125 7 residues pruned to eliminate duplicates Z: 10 4.699 1.576 0.232 0.520 0.778 0.556 CB 1.018 10 residues pruned to eliminate duplicates Z: 9 5.509 1.655 0.044 0.591 0.875 0.500 CB 1.181 9 residues pruned to eliminate duplicates 6 1.410 1.720 0.074 0.540 0.400 0.400 CB 0.820 ? Z: 10 3.143 1.630 0.477 0.462 0.667 0.444 CB 0.679 10 residues pruned to eliminate duplicates 7 1.621 1.523 0.578 0.083 0.667 0.500 CB 0.708 ? 6 1.359 1.370 0.120 0.100 0.800 0.200 CB 0.825 ? 7 1.303 1.416 -0.011 0.537 0.833 0.333 N 0.439 ? Z: 6 2.812 1.641 0.188 0.297 0.800 0.400 CB 1.012 6 residues pruned to eliminate duplicates Z: 6 2.321 1.377 0.442 0.416 0.600 0.400 N 0.951 6 residues pruned to eliminate duplicates Z: 10 4.342 1.836 0.047 0.289 0.889 0.667 CB 1.073 10 residues pruned to eliminate duplicates Z: 8 6.774 1.875 0.229 0.390 1.000 0.571 CB 1.249 12 residues pruned to eliminate duplicates Z: 17 17.823 1.854 0.664 0.855 0.812 0.688 CB 1.312 37 residues pruned to eliminate duplicates Z: 16 20.985 1.914 0.758 0.884 1.000 0.733 CB 1.164 16 residues pruned to eliminate duplicates Z: 15 7.940 1.568 0.652 0.397 0.786 0.429 CB 1.162 15 residues pruned to eliminate duplicates Z: 15 8.083 1.864 0.544 0.441 0.643 0.357 CB 1.240 15 residues pruned to eliminate duplicates Z: 13 14.476 1.971 0.590 0.720 0.917 0.500 CB 1.192 14 residues pruned to eliminate duplicates Z: 13 17.804 1.909 0.708 0.820 1.000 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 14 23.841 1.966 1.042 0.853 1.000 0.692 CB 1.217 14 residues pruned to eliminate duplicates Z: 16 15.049 1.829 0.704 0.670 0.867 0.467 CB 1.230 16 residues pruned to eliminate duplicates Z: 15 15.678 1.995 0.588 0.634 0.786 0.357 CB 1.485 15 residues pruned to eliminate duplicates Z: 18 17.756 1.948 0.793 0.734 0.765 0.588 CB 1.307 18 residues pruned to eliminate duplicates Z: 17 22.082 1.902 0.855 0.768 1.000 0.500 CB 1.234 17 residues pruned to eliminate duplicates Z: 16 20.232 1.930 0.664 0.754 0.933 0.667 CB 1.389 16 residues pruned to eliminate duplicates Z: 18 18.558 1.925 0.711 0.752 0.824 0.412 CB 1.325 18 residues pruned to eliminate duplicates Z: 15 12.248 1.875 1.008 0.605 0.714 0.429 CB 1.102 15 residues pruned to eliminate duplicates Z: 13 23.200 2.013 0.944 0.815 0.917 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 11 8.990 2.001 0.651 0.637 0.600 0.500 CB 1.261 11 residues pruned to eliminate duplicates Z: 7 8.146 1.904 0.598 0.469 0.833 0.667 O 1.354 7 residues pruned to eliminate duplicates Z: 7 4.468 1.405 0.465 0.509 0.833 0.333 O 1.053 5 residues pruned to eliminate duplicates Z: 6 3.515 1.694 0.117 0.337 0.800 0.400 O 1.241 6 residues pruned to eliminate duplicates Z: 10 5.294 1.917 0.040 0.219 0.778 0.222 N 1.583 10 residues pruned to eliminate duplicates Z: 11 7.300 1.929 0.323 0.300 0.800 0.400 N 1.414 11 residues pruned to eliminate duplicates Z: 12 5.607 1.799 0.123 0.281 0.818 0.455 N 1.310 12 residues pruned to eliminate duplicates Z: 16 8.739 1.917 0.341 0.323 0.733 0.333 CB 1.455 25 residues pruned to eliminate duplicates Z: 24 9.719 1.753 0.443 0.417 0.696 0.391 CB 1.256 24 residues pruned to eliminate duplicates Z: 25 18.197 1.896 0.530 0.564 0.875 0.458 CB 1.375 25 residues pruned to eliminate duplicates Z: 17 8.081 1.742 0.343 0.375 0.812 0.438 CB 1.215 17 residues pruned to eliminate duplicates Z: 18 19.554 1.971 0.547 0.746 1.000 0.588 CB 1.248 18 residues pruned to eliminate duplicates Z: 14 11.744 1.833 0.400 0.503 0.923 0.615 CB 1.371 14 residues pruned to eliminate duplicates Z: 20 11.112 1.864 0.553 0.398 0.684 0.316 CB 1.434 20 residues pruned to eliminate duplicates Z: 22 10.196 1.818 0.487 0.453 0.667 0.381 CB 1.296 22 residues pruned to eliminate duplicates Z: 26 16.386 1.894 0.331 0.590 0.840 0.600 CB 1.419 26 residues pruned to eliminate duplicates Z: 20 17.865 1.954 0.397 0.736 0.947 0.789 CB 1.283 20 residues pruned to eliminate duplicates Z: 18 17.730 1.909 0.537 0.704 0.882 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 22 16.847 1.913 0.470 0.646 0.857 0.571 CB 1.331 22 residues pruned to eliminate duplicates Z: 13 18.894 2.051 0.507 0.810 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 16 15.200 1.878 0.475 0.682 0.933 0.733 CB 1.284 16 residues pruned to eliminate duplicates Z: 19 16.130 1.979 0.449 0.731 0.833 0.667 CB 1.292 19 residues pruned to eliminate duplicates Z: 27 16.940 1.821 0.440 0.748 0.846 0.731 CB 1.199 27 residues pruned to eliminate duplicates Z: 17 21.167 1.949 0.658 0.854 0.875 0.750 CB 1.383 17 residues pruned to eliminate duplicates Z: 29 16.803 1.763 0.646 0.553 0.750 0.571 CB 1.386 29 residues pruned to eliminate duplicates Z: 29 24.834 1.914 0.583 0.753 0.929 0.714 CB 1.331 29 residues pruned to eliminate duplicates Z: 34 19.573 1.819 0.520 0.646 0.879 0.576 CB 1.224 22 residues pruned to eliminate duplicates Z: 20 28.008 1.928 0.858 0.914 0.947 0.684 CB 1.339 20 residues pruned to eliminate duplicates Z: 16 22.096 1.895 0.852 0.792 0.933 0.600 CB 1.349 29 residues pruned to eliminate duplicates Z: 19 26.885 1.938 0.825 0.907 0.944 0.667 CB 1.348 18 residues pruned to eliminate duplicates Z: 21 27.607 1.955 0.779 0.885 1.000 0.750 CB 1.282 21 residues pruned to eliminate duplicates Z: 28 19.183 1.866 0.505 0.629 0.889 0.593 CB 1.310 28 residues pruned to eliminate duplicates Z: 9 3.975 1.495 0.330 0.414 0.750 0.375 CB 1.031 Z: 11 6.832 1.443 0.435 0.696 0.800 0.600 CB 1.090 7 residues pruned to eliminate duplicates Z: 7 6.489 1.567 0.373 0.786 0.833 0.500 CB 1.149 7 residues pruned to eliminate duplicates Z: 10 8.457 1.691 0.552 0.660 0.778 0.667 N 1.191 10 residues pruned to eliminate duplicates Z: 7 3.345 1.432 0.360 0.220 0.833 0.333 CB 1.168 7 residues pruned to eliminate duplicates Z: 7 2.646 1.418 0.325 0.188 0.833 0.167 CB 1.003 Z: 7 2.913 1.221 0.365 0.299 0.833 0.167 N 1.072 5 residues pruned to eliminate duplicates Z: 6 2.518 1.113 0.355 0.480 0.800 0.200 CB 0.953 6 residues pruned to eliminate duplicates Z: 9 2.965 1.479 0.700 0.298 0.500 0.250 N 1.045 Z: 6 8.473 1.592 0.596 0.777 1.000 0.800 CB 1.168 8 residues pruned to eliminate duplicates Z: 7 6.686 1.479 0.785 0.511 0.833 0.500 N 1.227 7 residues pruned to eliminate duplicates Z: 7 9.382 1.682 0.715 0.709 0.833 0.667 CB 1.318 6 residues pruned to eliminate duplicates Z: 8 5.920 1.402 0.646 0.625 1.000 0.714 O 0.862 8 residues pruned to eliminate duplicates Z: 6 2.177 1.381 0.317 0.235 0.600 0.400 CB 1.214 Z: 6 2.328 1.635 0.377 0.359 0.400 0.400 CB 1.346 6 residues pruned to eliminate duplicates Z: 6 4.029 1.636 0.083 0.277 1.000 0.400 O 1.310 13 residues pruned to eliminate duplicates Z: 7 2.338 1.645 0.164 0.296 1.000 0.333 CB 0.626 6 residues pruned to eliminate duplicates Z: 9 4.990 1.533 0.616 0.699 0.875 0.375 CB 0.679 9 residues pruned to eliminate duplicates Z: 6 4.068 1.554 0.713 0.840 0.800 0.800 CB 0.637 6 residues pruned to eliminate duplicates Z: 16 6.931 1.679 0.456 0.309 0.733 0.333 CB 1.232 16 residues pruned to eliminate duplicates 6 1.930 1.507 0.569 0.838 1.000 0.600 CB 0.273 ? Z: 7 3.704 1.544 0.144 0.864 1.000 1.000 CB 0.628 7 residues pruned to eliminate duplicates Z: 12 6.582 1.530 0.432 0.484 0.818 0.545 CB 1.125 12 residues pruned to eliminate duplicates Z: 11 5.275 1.674 0.426 0.500 0.800 0.500 CB 0.873 11 residues pruned to eliminate duplicates Z: 17 6.341 1.578 0.544 0.412 0.750 0.500 CB 0.951 16 residues pruned to eliminate duplicates Z: 7 6.859 1.459 0.682 0.488 1.000 0.500 N 1.156 7 residues pruned to eliminate duplicates Z: 19 10.886 1.785 0.747 0.323 0.667 0.278 N 1.500 19 residues pruned to eliminate duplicates Z: 9 6.617 1.969 0.550 0.299 0.625 0.375 CB 1.534 9 residues pruned to eliminate duplicates Z: 17 9.361 1.754 0.697 0.231 0.812 0.438 N 1.324 17 residues pruned to eliminate duplicates Z: 11 5.867 1.919 0.360 0.283 0.600 0.400 N 1.513 11 residues pruned to eliminate duplicates Z: 7 7.331 2.002 0.444 0.290 0.833 0.667 CB 1.571 7 residues pruned to eliminate duplicates Z: 23 11.022 1.825 0.345 0.285 0.864 0.591 CB 1.412 23 residues pruned to eliminate duplicates Z: 25 16.534 1.834 0.475 0.475 0.917 0.625 CB 1.397 25 residues pruned to eliminate duplicates Z: 28 18.827 1.893 0.462 0.521 0.926 0.593 CB 1.384 28 residues pruned to eliminate duplicates Z: 23 18.649 1.869 0.606 0.422 0.909 0.682 N 1.579 23 residues pruned to eliminate duplicates Z: 20 19.159 1.933 0.526 0.568 0.895 0.737 CB 1.559 20 residues pruned to eliminate duplicates Z: 25 18.897 1.959 0.461 0.552 0.958 0.708 CB 1.337 25 residues pruned to eliminate duplicates Z: 26 18.371 1.905 0.466 0.570 0.840 0.600 CB 1.463 26 residues pruned to eliminate duplicates Z: 18 19.269 1.951 0.497 0.541 1.000 0.706 CB 1.538 18 residues pruned to eliminate duplicates Z: 23 15.473 1.822 0.600 0.444 0.909 0.682 CB 1.319 23 residues pruned to eliminate duplicates Z: 13 17.957 1.985 0.677 0.781 0.917 0.750 CB 1.326 13 residues pruned to eliminate duplicates Z: 40 19.931 1.861 0.581 0.515 0.897 0.487 CB 1.191 46 residues pruned to eliminate duplicates Z: 17 27.722 1.988 0.626 0.843 1.000 0.688 CB 1.597 17 residues pruned to eliminate duplicates Z: 28 24.266 1.918 0.571 0.581 0.926 0.593 CB 1.549 28 residues pruned to eliminate duplicates Z: 15 18.229 1.917 0.600 0.703 0.929 0.643 CB 1.422 15 residues pruned to eliminate duplicates Z: 28 26.065 1.914 0.630 0.585 0.963 0.815 CB 1.539 28 residues pruned to eliminate duplicates Z: 30 22.148 1.884 0.577 0.555 0.897 0.655 CB 1.463 30 residues pruned to eliminate duplicates Z: 20 19.972 1.853 0.583 0.663 0.947 0.579 N 1.418 20 residues pruned to eliminate duplicates Z: 26 21.694 1.891 0.713 0.577 0.880 0.560 CB 1.413 26 residues pruned to eliminate duplicates Z: 32 19.009 1.826 0.667 0.526 0.806 0.613 CB 1.356 32 residues pruned to eliminate duplicates Z: 17 8.632 1.658 0.430 0.473 0.750 0.438 N 1.247 35 residues pruned to eliminate duplicates Z: 7 6.958 1.828 0.576 0.625 0.667 0.333 CB 1.315 7 residues pruned to eliminate duplicates Z: 22 9.894 1.668 0.431 0.522 0.857 0.333 CB 1.032 18 residues pruned to eliminate duplicates Z: 8 10.856 1.816 0.477 0.781 0.857 0.286 N 1.393 11 residues pruned to eliminate duplicates Z: 9 13.277 1.778 0.545 0.788 0.875 0.750 N 1.517 9 residues pruned to eliminate duplicates Z: 9 12.788 1.820 0.615 0.779 0.875 0.625 CB 1.375 8 residues pruned to eliminate duplicates Z: 9 9.043 1.764 0.396 0.675 0.750 0.375 N 1.472 10 residues pruned to eliminate duplicates Z: 13 18.068 1.932 0.579 0.879 1.000 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 8 11.986 1.955 0.630 0.717 0.857 0.571 CB 1.363 8 residues pruned to eliminate duplicates Z: 14 18.076 1.885 0.465 0.826 1.000 0.769 O 1.369 15 residues pruned to eliminate duplicates Z: 14 23.719 1.969 0.591 0.929 1.000 0.846 CB 1.469 14 residues pruned to eliminate duplicates Z: 14 19.584 1.928 0.660 0.816 0.846 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 14 20.925 1.976 0.566 0.875 1.000 0.846 CB 1.364 14 residues pruned to eliminate duplicates Z: 20 14.743 1.849 0.519 0.517 0.842 0.474 N 1.406 20 residues pruned to eliminate duplicates Z: 15 20.167 1.954 0.524 0.806 1.000 0.786 CB 1.386 15 residues pruned to eliminate duplicates Z: 16 16.787 1.882 0.574 0.783 0.933 0.867 CB 1.222 16 residues pruned to eliminate duplicates Z: 21 19.227 1.910 0.592 0.695 0.900 0.750 CB 1.315 35 residues pruned to eliminate duplicates Z: 15 21.419 1.969 0.620 0.842 0.929 0.929 CB 1.441 Z: 13 24.212 2.017 0.672 0.889 1.000 0.917 CB 1.492 15 residues pruned to eliminate duplicates Z: 15 21.792 1.928 0.615 0.901 1.000 0.929 CB 1.335 14 residues pruned to eliminate duplicates Z: 9 3.647 1.206 0.346 0.573 0.750 0.375 O 0.987 6 residues pruned to eliminate duplicates Z: 12 12.724 1.766 0.584 0.736 0.909 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 13 12.891 1.726 0.405 0.707 1.000 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 10 13.117 1.722 0.525 0.674 1.000 0.667 CB 1.418 10 residues pruned to eliminate duplicates Z: 12 11.684 1.782 0.432 0.606 0.909 0.727 CB 1.373 16 residues pruned to eliminate duplicates Z: 19 11.810 1.517 0.401 0.811 0.889 0.611 CB 1.124 19 residues pruned to eliminate duplicates Z: 12 10.247 1.816 0.497 0.579 0.818 0.545 CB 1.287 11 residues pruned to eliminate duplicates Z: 12 16.169 1.793 0.557 0.804 1.000 0.727 CB 1.339 14 residues pruned to eliminate duplicates Z: 17 13.106 1.547 0.583 0.834 0.938 0.750 CB 1.070 13 residues pruned to eliminate duplicates Z: 15 16.359 1.638 0.508 0.782 1.000 0.786 CB 1.380 15 residues pruned to eliminate duplicates Z: 15 16.294 1.723 0.507 0.760 0.929 0.786 CB 1.433 13 residues pruned to eliminate duplicates Z: 15 13.369 1.653 0.467 0.835 0.929 0.714 CB 1.189 15 residues pruned to eliminate duplicates Z: 13 8.937 1.578 0.387 0.710 0.917 0.500 CB 1.063 13 residues pruned to eliminate duplicates Z: 14 11.440 1.610 0.694 0.475 0.923 0.385 CB 1.293 14 residues pruned to eliminate duplicates Z: 12 9.396 1.665 0.658 0.531 0.818 0.727 N 1.217 9 residues pruned to eliminate duplicates Z: 15 17.477 1.828 0.661 0.914 1.000 0.786 CB 1.087 12 residues pruned to eliminate duplicates Z: 12 10.338 1.701 0.397 0.867 1.000 0.818 CB 0.959 11 residues pruned to eliminate duplicates Z: 10 7.720 1.726 0.556 0.735 0.778 0.667 CB 0.998 10 residues pruned to eliminate duplicates Z: 17 9.230 1.534 0.423 0.529 0.875 0.438 N 1.174 17 residues pruned to eliminate duplicates Z: 11 10.494 1.829 0.450 0.730 0.900 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 12 11.732 1.741 0.580 0.663 0.909 0.727 CB 1.216 13 residues pruned to eliminate duplicates Z: 14 16.728 1.805 0.728 0.883 1.000 0.846 CB 1.076 14 residues pruned to eliminate duplicates Z: 15 13.067 1.837 0.725 0.830 0.929 0.714 CB 0.892 15 residues pruned to eliminate duplicates Z: 9 12.474 1.889 1.158 0.881 1.000 0.750 CB 0.783 9 residues pruned to eliminate duplicates Z: 9 12.134 1.840 1.132 0.786 1.000 0.750 CB 0.850 9 residues pruned to eliminate duplicates Z: 7 13.465 1.869 1.138 0.903 1.000 0.833 CB 0.981 7 residues pruned to eliminate duplicates Z: 8 10.647 1.702 1.177 0.898 0.714 0.429 CB 1.088 7 residues pruned to eliminate duplicates Z: 6 6.297 1.766 0.209 0.446 1.000 0.200 CB 1.394 6 residues pruned to eliminate duplicates Z: 14 8.701 1.738 0.596 0.454 0.846 0.385 CB 1.078 19 residues pruned to eliminate duplicates Z: 13 7.882 1.768 0.344 0.636 0.750 0.500 CB 1.124 13 residues pruned to eliminate duplicates Z: 21 10.880 1.722 0.352 0.441 0.800 0.550 CB 1.388 18 residues pruned to eliminate duplicates Z: 11 9.549 1.743 0.525 0.769 0.900 0.800 CB 0.995 11 residues pruned to eliminate duplicates Z: 11 10.975 1.713 0.662 0.770 1.000 0.600 CB 0.960 11 residues pruned to eliminate duplicates Z: 20 10.018 1.685 0.323 0.459 0.842 0.421 CB 1.276 21 residues pruned to eliminate duplicates Z: 12 11.137 1.766 0.637 0.746 0.818 0.636 CB 1.139 12 residues pruned to eliminate duplicates Z: 12 12.905 1.794 0.599 0.764 0.818 0.545 CB 1.312 12 residues pruned to eliminate duplicates Z: 21 11.557 1.747 0.259 0.516 0.850 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 18 10.128 1.778 0.331 0.547 0.765 0.529 CB 1.296 18 residues pruned to eliminate duplicates Z: 14 9.154 1.714 0.300 0.634 0.923 0.692 CB 1.088 13 residues pruned to eliminate duplicates Z: 13 12.009 1.755 0.360 0.750 1.000 0.750 CB 1.162 14 residues pruned to eliminate duplicates Z: 12 21.401 1.948 0.645 0.870 1.000 0.636 O 1.470 12 residues pruned to eliminate duplicates Z: 13 21.535 1.911 0.740 0.859 0.917 0.583 N 1.500 13 residues pruned to eliminate duplicates Z: 13 19.570 1.879 0.489 0.890 1.000 0.917 O 1.453 13 residues pruned to eliminate duplicates Z: 17 15.839 1.849 0.458 0.716 0.875 0.625 O 1.380 17 residues pruned to eliminate duplicates Z: 13 18.952 1.902 0.637 0.769 0.917 0.667 N 1.510 13 residues pruned to eliminate duplicates Z: 15 18.380 1.798 0.672 0.789 0.929 0.643 N 1.366 15 residues pruned to eliminate duplicates Z: 11 10.107 1.876 0.614 0.519 0.800 0.500 CB 1.295 11 residues pruned to eliminate duplicates Z: 15 21.894 1.850 0.789 0.759 0.929 0.571 O 1.511 15 residues pruned to eliminate duplicates Z: 11 10.615 1.932 0.519 0.587 0.800 0.500 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 7.729 1.825 0.635 0.509 0.818 0.545 CB 0.946 12 residues pruned to eliminate duplicates Z: 12 10.677 1.862 0.627 0.697 0.818 0.727 CB 1.085 12 residues pruned to eliminate duplicates Z: 15 10.982 1.913 0.498 0.487 0.786 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 14 9.327 1.703 0.585 0.595 0.846 0.462 CB 1.035 14 residues pruned to eliminate duplicates Z: 7 4.181 1.769 0.914 0.366 0.667 0.333 CB 0.873 7 residues pruned to eliminate duplicates Z: 10 8.897 1.672 0.454 0.520 0.889 0.444 CB 1.345 9 residues pruned to eliminate duplicates Z: 11 6.265 1.497 0.185 0.794 0.800 0.600 CB 1.079 11 residues pruned to eliminate duplicates Z: 11 12.905 1.644 0.604 0.687 0.900 0.600 CB 1.448 10 residues pruned to eliminate duplicates Z: 8 6.525 1.533 0.563 0.784 0.714 0.714 O 1.123 8 residues pruned to eliminate duplicates Z: 9 10.066 1.788 0.872 0.488 0.750 0.625 N 1.435 9 residues pruned to eliminate duplicates Z: 13 12.322 1.575 0.755 0.652 1.000 0.500 CB 1.117 14 residues pruned to eliminate duplicates Z: 10 16.786 1.743 0.914 0.877 1.000 0.889 CB 1.218 10 residues pruned to eliminate duplicates Z: 7 9.844 1.671 0.768 0.757 1.000 0.833 CB 1.082 7 residues pruned to eliminate duplicates Z: 9 10.230 1.825 0.586 0.529 0.875 0.500 CB 1.388 9 residues pruned to eliminate duplicates Z: 9 6.664 1.815 0.749 0.344 0.625 0.250 N 1.407 9 residues pruned to eliminate duplicates Z: 11 11.708 1.720 0.861 0.619 0.800 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 6 3.348 1.498 0.110 0.512 1.000 0.600 CB 0.890 6 residues pruned to eliminate duplicates Z: 7 5.298 1.448 0.286 0.647 1.000 0.667 CB 1.013 7 residues pruned to eliminate duplicates Z: 13 4.332 1.469 0.440 0.383 0.750 0.500 CB 0.893 13 residues pruned to eliminate duplicates Z: 8 6.060 1.505 0.435 0.722 0.857 0.571 CB 1.012 7 residues pruned to eliminate duplicates Z: 8 6.158 1.543 0.472 0.718 1.000 0.571 CB 0.841 8 residues pruned to eliminate duplicates Z: 6 3.129 1.543 0.256 0.312 0.800 0.200 CB 1.111 6 residues pruned to eliminate duplicates Z: 12 5.724 1.508 0.425 0.534 0.818 0.545 CB 0.949 8 residues pruned to eliminate duplicates Z: 10 4.920 1.320 0.406 0.829 0.778 0.667 CB 0.855 10 residues pruned to eliminate duplicates Z: 11 4.288 1.302 0.363 0.715 0.900 0.600 O 0.699 11 residues pruned to eliminate duplicates Z: 6 5.623 1.455 0.473 0.747 1.000 0.400 O 0.941 8 residues pruned to eliminate duplicates Z: 10 5.995 1.339 0.154 0.860 0.889 0.889 CB 1.070 8 residues pruned to eliminate duplicates Z: 7 5.759 1.460 0.277 0.826 1.000 0.500 CB 0.951 7 residues pruned to eliminate duplicates Z: 6 2.986 1.395 0.438 0.462 0.600 0.000 CB 1.153 5 residues pruned to eliminate duplicates Z: 12 5.122 1.355 0.235 0.703 0.909 0.545 CB 0.844 11 residues pruned to eliminate duplicates Z: 14 7.508 1.241 0.488 0.782 1.000 0.615 CB 0.880 13 residues pruned to eliminate duplicates Z: 9 9.632 1.645 0.529 0.766 1.000 0.750 CB 1.069 7 residues pruned to eliminate duplicates Z: 8 8.008 1.720 0.625 0.538 1.000 0.571 CB 1.042 10 residues pruned to eliminate duplicates Z: 9 8.149 1.644 0.264 0.860 1.000 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 11 7.463 1.657 0.506 0.621 0.900 0.600 CB 0.937 9 residues pruned to eliminate duplicates Z: 9 8.008 1.695 0.394 0.834 1.000 0.750 CB 0.898 7 residues pruned to eliminate duplicates Z: 11 6.802 1.511 0.521 0.825 0.900 0.900 CB 0.785 11 residues pruned to eliminate duplicates Z: 10 7.490 1.705 0.518 0.811 0.889 0.778 CB 0.828 9 residues pruned to eliminate duplicates Z: 7 7.036 1.743 0.269 0.863 1.000 1.000 O 0.953 7 residues pruned to eliminate duplicates Z: 10 9.669 1.980 0.583 0.555 0.778 0.222 CB 1.252 10 residues pruned to eliminate duplicates Z: 7 10.284 1.996 0.579 0.520 0.833 0.500 CB 1.567 7 residues pruned to eliminate duplicates Z: 10 9.532 1.955 0.475 0.485 0.778 0.444 CB 1.438 10 residues pruned to eliminate duplicates Z: 11 13.419 1.988 0.631 0.584 0.800 0.600 CB 1.509 11 residues pruned to eliminate duplicates Z: 21 18.259 1.853 0.542 0.656 0.950 0.600 CB 1.300 21 residues pruned to eliminate duplicates Z: 8 9.335 1.856 0.451 0.736 0.714 0.429 CB 1.484 8 residues pruned to eliminate duplicates Z: 19 17.068 1.959 0.446 0.570 0.944 0.444 CB 1.405 19 residues pruned to eliminate duplicates Z: 9 9.143 1.975 0.325 0.656 0.750 0.375 CB 1.425 9 residues pruned to eliminate duplicates Z: 20 15.866 1.861 0.534 0.607 0.895 0.526 CB 1.288 20 residues pruned to eliminate duplicates Z: 17 16.521 1.918 0.555 0.726 0.938 0.750 CB 1.204 17 residues pruned to eliminate duplicates Z: 19 14.839 1.985 0.317 0.627 0.889 0.611 CB 1.336 19 residues pruned to eliminate duplicates Z: 13 11.093 1.767 0.690 0.499 0.917 0.583 CB 1.171 13 residues pruned to eliminate duplicates Z: 20 18.873 1.926 0.556 0.592 1.000 0.526 CB 1.324 20 residues pruned to eliminate duplicates Z: 10 15.218 1.755 0.653 0.926 1.000 1.000 O 1.226 10 residues pruned to eliminate duplicates Z: 12 7.334 1.666 0.600 0.523 0.727 0.455 CB 1.115 12 residues pruned to eliminate duplicates Z: 12 6.582 1.790 0.187 0.596 0.636 0.455 O 1.339 12 residues pruned to eliminate duplicates Z: 25 15.339 1.796 0.413 0.606 0.875 0.375 CB 1.275 25 residues pruned to eliminate duplicates Z: 38 19.010 1.859 0.519 0.565 0.811 0.324 CB 1.282 38 residues pruned to eliminate duplicates Z: 33 19.114 1.869 0.556 0.565 0.812 0.562 CB 1.342 33 residues pruned to eliminate duplicates Z: 32 16.615 1.837 0.556 0.492 0.774 0.355 CB 1.359 32 residues pruned to eliminate duplicates Z: 20 13.354 1.879 0.652 0.488 0.789 0.474 CB 1.266 20 residues pruned to eliminate duplicates Z: 30 18.616 1.889 0.579 0.498 0.793 0.379 CB 1.464 30 residues pruned to eliminate duplicates Z: 26 14.222 1.795 0.488 0.555 0.800 0.480 CB 1.262 26 residues pruned to eliminate duplicates Z: 33 15.154 1.791 0.344 0.496 0.844 0.344 CB 1.325 33 residues pruned to eliminate duplicates Z: 31 15.031 1.760 0.368 0.601 0.900 0.433 CB 1.150 31 residues pruned to eliminate duplicates Z: 25 16.597 1.826 0.605 0.630 0.833 0.417 CB 1.228 25 residues pruned to eliminate duplicates Z: 33 20.692 1.877 0.482 0.602 0.875 0.375 CB 1.364 32 residues pruned to eliminate duplicates Z: 14 10.543 1.761 0.440 0.444 0.846 0.385 CB 1.443 14 residues pruned to eliminate duplicates Z: 36 18.937 1.906 0.376 0.540 0.829 0.457 CB 1.416 36 residues pruned to eliminate duplicates Z: 42 18.373 1.845 0.527 0.487 0.732 0.463 CB 1.411 42 residues pruned to eliminate duplicates Z: 42 16.340 1.773 0.446 0.415 0.805 0.415 CB 1.352 42 residues pruned to eliminate duplicates Z: 32 14.549 1.867 0.499 0.451 0.710 0.484 CB 1.384 32 residues pruned to eliminate duplicates Z: 19 8.672 1.762 0.153 0.423 0.778 0.278 N 1.402 19 residues pruned to eliminate duplicates Z: 29 14.672 1.807 0.468 0.502 0.786 0.464 CB 1.327 29 residues pruned to eliminate duplicates Z: 36 15.549 1.839 0.460 0.451 0.771 0.429 CB 1.334 36 residues pruned to eliminate duplicates Z: 34 18.786 1.817 0.596 0.493 0.879 0.394 CB 1.292 34 residues pruned to eliminate duplicates Z: 37 15.396 1.739 0.511 0.415 0.806 0.417 N 1.324 37 residues pruned to eliminate duplicates Z: 49 18.642 1.768 0.498 0.448 0.771 0.438 CB 1.390 49 residues pruned to eliminate duplicates Z: 22 15.496 1.781 0.441 0.460 0.952 0.429 CB 1.442 22 residues pruned to eliminate duplicates Z: 9 4.682 1.694 0.422 0.356 0.625 0.125 CB 1.285 Z: 9 7.468 1.410 0.812 0.680 0.875 0.375 CB 1.001 6 residues pruned to eliminate duplicates Z: 8 3.931 1.452 0.264 0.680 0.714 0.571 CB 0.960 8 residues pruned to eliminate duplicates Z: 14 3.745 1.659 0.386 0.248 0.538 0.231 CB 1.121 14 residues pruned to eliminate duplicates Z: 12 9.349 1.554 0.747 0.772 0.909 0.636 CB 0.898 8 residues pruned to eliminate duplicates Z: 7 7.672 1.554 0.496 0.831 1.000 0.833 CB 1.012 7 residues pruned to eliminate duplicates Z: 12 8.182 1.519 0.616 0.688 0.909 0.545 CB 0.931 12 residues pruned to eliminate duplicates Z: 15 12.147 1.709 0.572 0.544 0.929 0.429 CB 1.246 16 residues pruned to eliminate duplicates Z: 10 8.005 1.518 0.553 0.854 1.000 0.889 CB 0.836 9 residues pruned to eliminate duplicates Z: 11 7.899 1.510 0.759 0.712 0.900 0.500 CB 0.862 10 residues pruned to eliminate duplicates Z: 13 10.354 1.558 0.543 0.851 1.000 0.917 CB 0.921 13 residues pruned to eliminate duplicates Z: 16 9.707 1.415 0.463 0.701 1.000 0.667 CB 1.008 14 residues pruned to eliminate duplicates Z: 8 6.311 1.490 0.887 0.521 0.857 0.714 CB 0.969 8 residues pruned to eliminate duplicates Z: 6 3.543 1.245 0.629 0.440 1.000 0.600 O 0.831 6 residues pruned to eliminate duplicates Z: 6 4.357 1.285 0.510 0.586 1.000 0.000 N 0.925 7 1.413 1.314 0.392 0.366 0.500 0.167 O 0.728 ? Z: 6 3.005 1.717 0.056 0.460 0.600 0.400 O 1.286 6 residues pruned to eliminate duplicates Z: 14 3.908 1.625 0.080 0.351 0.692 0.385 CB 1.049 13 residues pruned to eliminate duplicates Z: 11 5.914 1.651 0.211 0.694 0.700 0.500 O 1.120 12 residues pruned to eliminate duplicates Z: 11 8.698 1.751 0.547 0.693 0.700 0.400 O 1.216 11 residues pruned to eliminate duplicates Z: 23 10.645 1.731 0.367 0.452 0.864 0.500 CB 1.166 20 residues pruned to eliminate duplicates Z: 15 12.626 1.642 0.703 0.820 0.786 0.571 CB 1.163 14 residues pruned to eliminate duplicates Z: 11 10.616 1.759 0.799 0.783 0.800 0.400 CB 1.034 11 residues pruned to eliminate duplicates Z: 21 10.426 1.694 0.495 0.453 0.800 0.450 CB 1.208 21 residues pruned to eliminate duplicates Z: 14 12.254 1.756 0.431 0.599 0.923 0.308 CB 1.334 19 residues pruned to eliminate duplicates Z: 10 13.141 1.776 0.790 0.839 0.778 0.667 CB 1.323 10 residues pruned to eliminate duplicates Z: 13 14.573 1.732 0.830 0.839 0.750 0.333 CB 1.322 13 residues pruned to eliminate duplicates Z: 8 8.247 1.692 0.638 0.652 0.714 0.286 N 1.366 7 residues pruned to eliminate duplicates Z: 11 13.029 1.754 0.672 0.820 0.800 0.500 CB 1.330 8 residues pruned to eliminate duplicates Z: 13 14.701 1.712 0.854 0.761 0.917 0.583 CB 1.156 12 residues pruned to eliminate duplicates Z: 12 16.447 1.692 0.768 0.821 0.909 0.545 N 1.380 12 residues pruned to eliminate duplicates Z: 6 10.944 1.845 0.815 0.663 0.800 0.400 N 1.571 6 residues pruned to eliminate duplicates Z: 7 4.116 1.617 0.617 0.463 0.667 0.500 O 1.002 7 residues pruned to eliminate duplicates Z: 8 3.387 1.741 0.260 0.451 0.714 0.429 CB 0.859 8 residues pruned to eliminate duplicates Z: 20 7.783 1.892 0.310 0.309 0.895 0.474 CB 0.995 20 residues pruned to eliminate duplicates Z: 10 3.760 1.872 0.402 0.223 0.667 0.556 CB 0.991 10 residues pruned to eliminate duplicates 6 1.853 1.976 0.008 0.536 0.600 0.400 CB 0.670 ? Z: 19 6.317 1.861 0.296 0.279 0.833 0.500 CB 0.951 19 residues pruned to eliminate duplicates Z: 10 4.417 1.886 0.137 0.314 1.000 0.667 CB 0.844 10 residues pruned to eliminate duplicates Z: 18 7.863 1.927 0.096 0.348 0.882 0.529 CB 1.207 18 residues pruned to eliminate duplicates Z: 18 9.087 1.921 0.253 0.304 0.941 0.647 CB 1.209 18 residues pruned to eliminate duplicates Z: 17 7.252 1.957 0.265 0.305 0.812 0.625 CB 1.119 17 residues pruned to eliminate duplicates Z: 17 8.141 1.891 0.329 0.221 0.812 0.625 CB 1.382 17 residues pruned to eliminate duplicates Z: 20 8.686 1.891 0.380 0.299 0.895 0.526 CB 1.069 34 residues pruned to eliminate duplicates Z: 7 5.833 1.764 0.741 0.379 0.667 0.500 CB 1.323 7 residues pruned to eliminate duplicates Z: 21 8.494 1.919 0.331 0.316 0.900 0.450 CB 1.013 19 residues pruned to eliminate duplicates Z: 11 9.764 1.845 0.501 0.728 1.000 0.600 CB 0.908 17 residues pruned to eliminate duplicates Z: 10 12.410 1.878 0.633 0.793 1.000 0.667 CB 1.044 10 residues pruned to eliminate duplicates Z: 12 11.134 1.800 0.699 0.794 0.909 0.545 CB 0.934 12 residues pruned to eliminate duplicates Z: 26 15.878 1.852 0.576 0.509 0.880 0.560 CB 1.226 24 residues pruned to eliminate duplicates Z: 12 13.429 1.847 0.768 0.768 0.909 0.727 CB 1.075 13 residues pruned to eliminate duplicates Z: 9 12.096 1.769 0.821 0.816 1.000 0.875 CB 1.008 9 residues pruned to eliminate duplicates Z: 12 10.748 1.646 0.623 0.862 0.909 0.545 CB 0.980 12 residues pruned to eliminate duplicates Z: 11 9.268 1.731 0.865 0.815 0.800 0.600 CB 0.863 10 residues pruned to eliminate duplicates Z: 9 11.586 1.731 0.921 0.899 0.875 0.750 CB 1.007 9 residues pruned to eliminate duplicates Z: 13 17.869 1.802 0.831 0.845 1.000 0.500 CB 1.162 13 residues pruned to eliminate duplicates Z: 15 11.358 1.586 0.368 0.823 0.929 0.643 CB 1.139 15 residues pruned to eliminate duplicates Z: 21 7.821 1.525 0.311 0.509 0.900 0.400 CB 0.963 21 residues pruned to eliminate duplicates Z: 14 6.026 1.480 0.174 0.526 0.923 0.692 CB 1.015 14 residues pruned to eliminate duplicates Z: 14 8.420 1.622 0.190 0.710 0.923 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 17 9.914 1.549 0.298 0.655 0.938 0.750 CB 1.139 14 residues pruned to eliminate duplicates Z: 16 14.598 1.562 0.492 0.845 1.000 0.733 CB 1.202 16 residues pruned to eliminate duplicates Z: 19 8.229 1.530 0.171 0.525 0.944 0.611 CB 1.118 19 residues pruned to eliminate duplicates Z: 12 14.064 1.668 0.510 0.822 1.000 0.727 O 1.274 12 residues pruned to eliminate duplicates Z: 23 10.496 1.560 0.200 0.580 0.909 0.636 CB 1.218 23 residues pruned to eliminate duplicates Z: 19 10.072 1.546 0.347 0.615 0.944 0.611 CB 1.083 19 residues pruned to eliminate duplicates Z: 23 12.845 1.601 0.299 0.674 0.909 0.773 CB 1.233 20 residues pruned to eliminate duplicates Z: 16 14.352 1.540 0.500 0.858 1.000 0.733 CB 1.182 16 residues pruned to eliminate duplicates Z: 16 11.588 1.642 0.416 0.630 0.867 0.600 N 1.315 16 residues pruned to eliminate duplicates Z: 6 3.782 1.607 0.335 0.292 0.800 0.600 N 1.244 6 residues pruned to eliminate duplicates Z: 12 5.337 1.566 0.265 0.375 0.727 0.455 N 1.276 9 residues pruned to eliminate duplicates Z: 10 3.637 1.298 0.356 0.542 0.889 0.667 CB 0.743 Z: 6 4.302 1.191 0.450 0.637 1.000 0.600 CB 0.980 6 residues pruned to eliminate duplicates Z: 6 7.464 1.910 0.595 0.554 0.800 0.400 CB 1.299 Z: 17 19.723 1.948 0.525 0.765 0.938 0.812 CB 1.400 17 residues pruned to eliminate duplicates Z: 32 31.774 1.988 0.749 0.762 0.968 0.806 CB 1.344 32 residues pruned to eliminate duplicates Z: 29 17.829 1.929 0.579 0.470 0.857 0.536 CB 1.330 29 residues pruned to eliminate duplicates Z: 19 20.562 2.021 0.664 0.622 0.833 0.444 N 1.542 19 residues pruned to eliminate duplicates Z: 16 21.506 2.044 0.699 0.800 0.933 0.867 CB 1.317 16 residues pruned to eliminate duplicates Z: 33 23.275 1.910 0.843 0.595 0.844 0.531 CB 1.266 39 residues pruned to eliminate duplicates Z: 15 24.930 2.119 0.767 0.820 0.929 0.643 CB 1.451 17 residues pruned to eliminate duplicates Z: 18 36.738 2.074 0.939 0.910 1.000 0.824 CB 1.571 18 residues pruned to eliminate duplicates Z: 17 20.709 2.028 0.816 0.706 0.812 0.562 CB 1.435 17 residues pruned to eliminate duplicates Z: 21 19.666 1.893 0.839 0.618 0.850 0.450 CB 1.329 21 residues pruned to eliminate duplicates Z: 43 27.805 1.926 0.753 0.575 0.857 0.429 CB 1.380 51 residues pruned to eliminate duplicates Z: 23 31.367 1.952 0.897 0.814 0.909 0.545 CB 1.512 23 residues pruned to eliminate duplicates Z: 24 30.185 2.043 0.940 0.763 0.826 0.522 CB 1.522 24 residues pruned to eliminate duplicates Z: 26 24.662 1.955 1.033 0.662 0.720 0.400 N 1.483 32 residues pruned to eliminate duplicates Z: 20 36.561 2.067 1.021 0.860 0.947 0.789 CB 1.559 20 residues pruned to eliminate duplicates Z: 33 30.622 2.011 0.808 0.659 0.875 0.438 CB 1.469 33 residues pruned to eliminate duplicates Z: 34 26.392 1.927 0.746 0.630 0.848 0.424 CB 1.425 34 residues pruned to eliminate duplicates Z: 35 31.585 1.971 0.966 0.630 0.912 0.618 CB 1.356 35 residues pruned to eliminate duplicates Z: 22 35.602 2.089 0.918 0.803 0.952 0.571 CB 1.562 22 residues pruned to eliminate duplicates Z: 35 28.115 1.988 0.800 0.653 0.853 0.618 CB 1.370 35 residues pruned to eliminate duplicates Z: 33 29.637 1.968 0.742 0.669 0.906 0.562 CB 1.442 33 residues pruned to eliminate duplicates Z: 37 37.855 2.035 1.020 0.663 0.889 0.583 CB 1.485 37 residues pruned to eliminate duplicates Z: 32 22.148 1.919 0.721 0.577 0.774 0.516 CB 1.445 32 residues pruned to eliminate duplicates Z: 13 11.497 1.882 0.651 0.462 0.750 0.500 CB 1.480 13 residues pruned to eliminate duplicates Z: 41 32.301 1.988 0.868 0.644 0.850 0.700 CB 1.415 41 residues pruned to eliminate duplicates Z: 12 13.009 2.016 0.711 0.482 0.818 0.545 CB 1.415 13 residues pruned to eliminate duplicates Z: 6 6.130 1.491 0.719 0.300 1.000 0.600 N 1.338 6 residues pruned to eliminate duplicates Z: 29 35.869 2.059 0.951 0.752 0.929 0.571 CB 1.452 29 residues pruned to eliminate duplicates Z: 6 6.384 1.938 0.499 0.435 0.800 0.800 CB 1.314 6 residues pruned to eliminate duplicates Z: 8 5.230 1.916 0.345 0.453 0.714 0.714 CB 1.127 7 residues pruned to eliminate duplicates Z: 9 15.259 1.870 0.541 0.872 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 11 8.252 1.731 0.237 0.816 0.900 0.800 CB 1.028 11 residues pruned to eliminate duplicates Z: 12 9.011 1.737 0.261 0.792 1.000 0.909 CB 0.960 12 residues pruned to eliminate duplicates Z: 11 10.768 1.810 0.349 0.722 0.900 0.400 CB 1.267 10 residues pruned to eliminate duplicates Z: 12 14.212 1.757 0.421 0.866 1.000 0.818 CB 1.256 13 residues pruned to eliminate duplicates Z: 9 8.162 1.711 0.457 0.826 0.875 0.875 CB 0.998 9 residues pruned to eliminate duplicates Z: 15 6.129 1.450 0.440 0.382 0.786 0.571 CB 1.132 8 residues pruned to eliminate duplicates Z: 19 15.585 1.729 0.510 0.622 0.944 0.556 CB 1.328 26 residues pruned to eliminate duplicates Z: 11 12.140 1.820 0.548 0.734 0.900 0.800 CB 1.227 11 residues pruned to eliminate duplicates Z: 20 12.829 1.723 0.421 0.646 0.895 0.579 CB 1.172 20 residues pruned to eliminate duplicates Z: 18 13.112 1.735 0.615 0.444 0.824 0.412 N 1.460 18 residues pruned to eliminate duplicates Z: 10 12.262 1.720 0.828 0.579 0.889 0.778 CB 1.355 10 residues pruned to eliminate duplicates Z: 13 8.366 1.614 0.750 0.502 0.667 0.417 CB 1.281 13 residues pruned to eliminate duplicates Z: 11 7.936 1.651 0.627 0.633 0.900 0.500 CB 0.916 11 residues pruned to eliminate duplicates Z: 8 10.271 1.809 0.638 0.578 1.000 0.286 CB 1.215 8 residues pruned to eliminate duplicates Z: 9 7.845 1.652 0.475 0.725 0.750 0.375 CB 1.239 9 residues pruned to eliminate duplicates Z: 15 8.625 1.629 0.470 0.532 0.786 0.357 CB 1.188 9 residues pruned to eliminate duplicates Z: 11 10.550 1.693 0.530 0.639 0.900 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 10 7.039 1.556 0.751 0.312 0.889 0.222 CB 1.193 9 residues pruned to eliminate duplicates Z: 6 2.253 1.500 0.064 0.359 0.800 0.200 CB 0.919 6 residues pruned to eliminate duplicates Z: 18 5.939 1.482 0.516 0.406 0.706 0.235 N 1.002 18 residues pruned to eliminate duplicates Z: 20 4.858 1.585 0.255 0.294 0.684 0.263 CB 1.032 15 residues pruned to eliminate duplicates Z: 7 6.625 1.648 0.275 0.858 1.000 0.667 CB 0.948 7 residues pruned to eliminate duplicates Z: 7 5.525 1.615 0.243 0.802 0.833 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 8 6.696 1.661 0.637 0.857 0.714 0.429 CB 0.960 7 residues pruned to eliminate duplicates Z: 11 6.473 1.586 0.382 0.897 0.800 0.700 CB 0.836 9 residues pruned to eliminate duplicates Z: 10 7.263 1.629 0.409 0.877 0.889 0.556 CB 0.862 10 residues pruned to eliminate duplicates Z: 10 7.856 1.605 0.458 0.892 0.889 0.333 CB 0.905 10 residues pruned to eliminate duplicates Z: 13 5.737 1.482 0.393 0.797 0.750 0.333 CB 0.824 11 residues pruned to eliminate duplicates Z: 11 5.988 1.602 0.304 0.817 0.800 0.300 CB 0.860 11 residues pruned to eliminate duplicates Z: 12 5.040 1.547 0.322 0.750 0.727 0.636 CB 0.817 12 residues pruned to eliminate duplicates Z: 11 5.232 1.583 0.307 0.577 0.700 0.500 CB 1.060 9 residues pruned to eliminate duplicates Z: 8 7.709 1.549 0.568 0.836 1.000 0.714 CB 0.898 8 residues pruned to eliminate duplicates Z: 20 4.312 1.414 0.561 0.201 0.632 0.263 CB 1.012 Z: 9 5.284 1.385 0.711 0.645 0.875 0.750 CB 0.787 29 residues pruned to eliminate duplicates Z: 6 7.745 1.504 0.664 0.804 1.000 0.800 CB 1.061 6 residues pruned to eliminate duplicates Z: 10 6.146 1.389 0.608 0.756 0.889 0.667 CB 0.822 10 residues pruned to eliminate duplicates Z: 8 3.366 1.383 0.404 0.393 0.714 0.286 N 1.028 8 residues pruned to eliminate duplicates Z: 10 2.952 1.517 0.115 0.219 0.667 0.222 O 1.213 8 residues pruned to eliminate duplicates Z: 10 10.066 1.651 0.707 0.780 0.889 0.778 CB 1.047 10 residues pruned to eliminate duplicates Z: 9 10.071 1.687 0.883 0.802 0.875 0.750 CB 0.984 9 residues pruned to eliminate duplicates Z: 11 10.232 1.665 0.693 0.745 0.800 0.800 CB 1.152 11 residues pruned to eliminate duplicates Z: 9 9.802 1.633 0.708 0.703 0.875 0.500 CB 1.181 10 residues pruned to eliminate duplicates Z: 8 8.956 1.645 0.531 0.807 1.000 0.857 CB 1.028 7 residues pruned to eliminate duplicates Z: 12 10.801 1.640 0.584 0.807 0.909 0.818 CB 1.055 11 residues pruned to eliminate duplicates Z: 10 8.399 1.658 0.573 0.878 0.889 0.778 CB 0.876 10 residues pruned to eliminate duplicates Z: 7 4.915 1.656 0.438 0.776 0.833 0.833 N 0.792 7 residues pruned to eliminate duplicates Z: 8 6.934 1.674 0.713 0.825 0.857 0.857 CB 0.804 8 residues pruned to eliminate duplicates Z: 8 10.085 1.947 0.573 0.727 0.857 0.571 CB 1.183 8 residues pruned to eliminate duplicates Z: 9 12.047 1.876 0.458 0.631 1.000 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 9 7.803 1.899 0.538 0.619 0.875 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 7 7.857 1.972 0.324 0.652 0.833 0.333 CB 1.280 7 residues pruned to eliminate duplicates Z: 11 12.493 1.887 0.702 0.731 0.900 0.600 CB 1.110 11 residues pruned to eliminate duplicates Z: 15 10.579 1.734 0.681 0.575 0.857 0.500 CB 1.052 15 residues pruned to eliminate duplicates Z: 12 9.699 1.696 0.899 0.770 1.000 0.636 CB 0.715 12 residues pruned to eliminate duplicates Z: 12 10.725 1.806 0.826 0.666 1.000 0.364 CB 0.841 12 residues pruned to eliminate duplicates Z: 14 9.275 1.673 0.675 0.660 0.923 0.538 CB 0.857 14 residues pruned to eliminate duplicates Z: 15 9.001 1.730 0.198 0.398 0.929 0.500 CB 1.391 14 residues pruned to eliminate duplicates Z: 7 5.213 1.473 0.849 0.393 0.667 0.500 O 1.313 7 residues pruned to eliminate duplicates Z: 16 11.143 1.713 0.419 0.377 0.933 0.667 CB 1.445 20 residues pruned to eliminate duplicates Z: 7 4.262 1.318 0.448 0.473 1.000 0.500 N 0.937 8 residues pruned to eliminate duplicates Z: 13 8.162 1.586 0.163 0.711 1.000 0.833 O 1.055 16 residues pruned to eliminate duplicates Z: 13 7.300 1.602 0.008 0.695 1.000 0.667 O 1.092 13 residues pruned to eliminate duplicates Z: 24 12.301 1.711 0.376 0.450 1.000 0.652 CB 1.147 24 residues pruned to eliminate duplicates Z: 10 7.797 1.654 0.173 0.860 1.000 0.667 CB 0.985 10 residues pruned to eliminate duplicates Z: 29 11.861 1.695 0.334 0.373 0.929 0.607 CB 1.222 21 residues pruned to eliminate duplicates Z: 8 10.572 1.784 0.539 0.790 1.000 0.857 CB 1.128 8 residues pruned to eliminate duplicates Z: 25 12.622 1.712 0.350 0.461 0.917 0.500 CB 1.265 31 residues pruned to eliminate duplicates Z: 14 8.914 1.657 0.283 0.616 0.923 0.769 O 1.128 14 residues pruned to eliminate duplicates Z: 9 5.394 1.660 0.475 0.776 0.875 0.625 CB 0.697 9 residues pruned to eliminate duplicates Z: 23 13.513 1.728 0.365 0.590 0.909 0.545 CB 1.232 23 residues pruned to eliminate duplicates 8 1.899 1.434 0.458 0.092 0.571 0.286 CB 1.014 ? Z: 8 5.983 1.682 0.248 0.536 0.857 0.571 CB 1.213 12 residues pruned to eliminate duplicates Z: 8 10.524 1.771 0.493 0.558 1.000 0.429 O 1.422 13 residues pruned to eliminate duplicates Z: 11 9.963 1.822 0.152 0.744 0.900 0.900 CB 1.340 11 residues pruned to eliminate duplicates Z: 12 9.596 1.710 0.149 0.719 0.909 0.818 CB 1.328 12 residues pruned to eliminate duplicates Z: 13 6.814 1.674 0.062 0.531 0.917 0.500 CB 1.171 13 residues pruned to eliminate duplicates Z: 9 11.537 1.841 0.225 0.882 1.000 0.875 CB 1.309 12 residues pruned to eliminate duplicates Z: 9 11.885 1.851 0.244 0.859 1.000 0.750 CB 1.343 9 residues pruned to eliminate duplicates Z: 8 11.173 1.901 0.192 0.869 1.000 0.857 CB 1.361 8 residues pruned to eliminate duplicates Z: 9 10.934 1.895 0.260 0.758 1.000 0.875 CB 1.286 9 residues pruned to eliminate duplicates Z: 11 5.975 1.714 0.244 0.581 0.900 0.400 CB 0.910 11 residues pruned to eliminate duplicates Z: 12 10.973 1.772 0.312 0.729 0.909 0.727 CB 1.273 12 residues pruned to eliminate duplicates Z: 10 9.648 1.829 0.169 0.846 0.889 0.889 CB 1.258 10 residues pruned to eliminate duplicates Z: 19 11.018 1.639 0.576 0.505 0.778 0.667 CB 1.286 11 residues pruned to eliminate duplicates Z: 13 9.743 1.535 0.792 0.804 0.833 0.583 CB 0.941 Z: 13 12.560 1.644 0.681 0.831 0.833 0.500 CB 1.184 13 residues pruned to eliminate duplicates Z: 10 9.313 1.719 0.373 0.871 0.889 0.778 CB 1.079 10 residues pruned to eliminate duplicates Z: 8 10.810 1.846 0.561 0.557 1.000 0.714 CB 1.342 8 residues pruned to eliminate duplicates Z: 15 9.260 1.813 0.370 0.545 0.929 0.571 CB 1.027 28 residues pruned to eliminate duplicates Z: 17 11.002 1.813 0.401 0.549 0.938 0.562 CB 1.101 17 residues pruned to eliminate duplicates Z: 16 7.969 1.813 0.381 0.472 0.800 0.467 CB 1.057 16 residues pruned to eliminate duplicates Z: 21 9.741 1.806 0.236 0.431 0.900 0.450 CB 1.165 21 residues pruned to eliminate duplicates Z: 14 6.471 1.701 0.335 0.376 0.846 0.385 CB 1.066 14 residues pruned to eliminate duplicates Z: 22 12.763 1.906 0.467 0.444 0.857 0.571 CB 1.231 22 residues pruned to eliminate duplicates Z: 32 9.934 1.753 0.350 0.450 0.839 0.516 CB 0.946 33 residues pruned to eliminate duplicates Z: 6 3.431 1.650 0.348 0.176 0.800 0.600 N 1.274 7 residues pruned to eliminate duplicates Z: 13 9.834 1.652 0.497 0.758 0.917 0.750 CB 0.995 14 residues pruned to eliminate duplicates Z: 12 5.927 1.583 0.142 0.645 0.818 0.545 CB 1.056 12 residues pruned to eliminate duplicates Z: 16 8.153 1.609 0.109 0.587 0.933 0.667 CB 1.162 15 residues pruned to eliminate duplicates Z: 12 11.871 1.676 0.416 0.886 1.000 0.636 CB 1.088 12 residues pruned to eliminate duplicates Z: 16 8.021 1.614 0.292 0.545 0.933 0.600 CB 1.018 16 residues pruned to eliminate duplicates Z: 8 15.894 1.705 0.859 0.853 1.000 0.857 N 1.401 9 residues pruned to eliminate duplicates Z: 11 12.686 1.643 0.557 0.851 1.000 0.700 CB 1.160 11 residues pruned to eliminate duplicates Z: 9 11.374 1.717 0.628 0.597 1.000 0.375 CB 1.311 9 residues pruned to eliminate duplicates Z: 8 9.474 1.690 0.386 0.697 1.000 0.857 CB 1.277 8 residues pruned to eliminate duplicates Z: 10 10.500 1.594 0.772 0.657 0.889 0.667 CB 1.205 10 residues pruned to eliminate duplicates Z: 13 5.305 1.555 0.508 0.318 0.750 0.333 CB 1.063 13 residues pruned to eliminate duplicates 8 1.932 1.326 0.264 0.102 0.714 0.143 CB 1.013 ? Z: 13 2.440 1.442 0.240 0.064 0.750 0.250 CB 0.931 Z: 14 12.507 1.564 0.654 0.698 0.923 0.538 CB 1.213 11 residues pruned to eliminate duplicates Z: 11 10.328 1.684 0.555 0.707 1.000 0.900 CB 1.033 11 residues pruned to eliminate duplicates Z: 10 15.777 1.825 0.584 0.889 1.000 0.889 CB 1.310 10 residues pruned to eliminate duplicates Z: 6 5.849 1.798 0.263 0.535 0.800 0.600 CB 1.392 6 residues pruned to eliminate duplicates Z: 13 9.196 1.663 0.449 0.667 0.917 0.750 CB 1.030 13 residues pruned to eliminate duplicates Z: 15 8.329 1.581 0.588 0.506 0.857 0.714 CB 1.028 15 residues pruned to eliminate duplicates Z: 15 9.060 1.561 0.429 0.601 1.000 0.786 CB 0.986 14 residues pruned to eliminate duplicates Z: 10 13.419 1.771 0.638 0.879 1.000 0.889 CB 1.119 10 residues pruned to eliminate duplicates Z: 6 3.433 1.428 0.867 0.518 0.800 0.600 CB 0.708 Z: 10 17.004 1.812 0.719 0.914 1.000 1.000 CB 1.287 16 residues pruned to eliminate duplicates Z: 8 6.366 1.516 0.621 0.593 0.857 0.429 N 1.046 7 residues pruned to eliminate duplicates Z: 9 9.399 1.711 0.168 0.845 1.000 0.875 N 1.236 9 residues pruned to eliminate duplicates Z: 10 8.244 1.753 0.454 0.552 0.778 0.667 CB 1.318 10 residues pruned to eliminate duplicates Z: 9 7.562 1.760 0.479 0.591 0.750 0.625 CB 1.255 10 residues pruned to eliminate duplicates Z: 10 6.980 1.584 0.412 0.732 0.778 0.778 N 1.086 9 residues pruned to eliminate duplicates Z: 12 9.938 1.609 0.338 0.804 0.909 0.636 CB 1.174 14 residues pruned to eliminate duplicates Z: 12 10.596 1.614 0.216 0.813 1.000 0.909 CB 1.241 12 residues pruned to eliminate duplicates Z: 11 8.263 1.583 0.202 0.779 0.900 0.800 CB 1.193 11 residues pruned to eliminate duplicates Z: 13 8.577 1.677 0.513 0.735 0.833 0.583 CB 0.948 12 residues pruned to eliminate duplicates Z: 12 8.200 1.588 0.567 0.822 0.818 0.727 CB 0.919 10 residues pruned to eliminate duplicates Z: 14 11.783 1.669 0.519 0.756 0.923 0.538 CB 1.112 15 residues pruned to eliminate duplicates Z: 6 2.360 1.709 0.346 0.146 0.600 0.200 CB 1.184 Z: 10 7.319 1.909 0.544 0.502 0.889 0.556 CB 0.929 Z: 8 4.683 1.969 0.488 0.522 0.714 0.429 CB 0.828 8 residues pruned to eliminate duplicates Z: 9 3.917 1.947 0.250 0.443 0.625 0.375 CB 0.965 9 residues pruned to eliminate duplicates Z: 17 8.214 1.820 0.402 0.273 0.812 0.438 CB 1.282 16 residues pruned to eliminate duplicates Z: 8 5.535 1.881 0.836 0.478 0.857 0.571 CB 0.722 8 residues pruned to eliminate duplicates Z: 25 8.849 1.826 0.419 0.293 0.667 0.250 CB 1.319 23 residues pruned to eliminate duplicates Z: 9 9.633 1.822 1.005 0.635 0.625 0.500 CB 1.314 9 residues pruned to eliminate duplicates Z: 18 13.204 1.934 0.778 0.511 0.765 0.412 CB 1.205 25 residues pruned to eliminate duplicates Z: 11 17.524 1.752 0.975 0.774 0.900 0.600 CB 1.397 11 residues pruned to eliminate duplicates Z: 9 10.054 1.913 0.448 0.686 0.875 0.500 O 1.237 9 residues pruned to eliminate duplicates Z: 16 11.160 1.929 0.518 0.451 0.733 0.533 CB 1.410 16 residues pruned to eliminate duplicates Z: 19 11.312 1.983 0.600 0.513 0.778 0.444 CB 1.066 19 residues pruned to eliminate duplicates Z: 20 9.440 1.929 0.521 0.402 0.737 0.579 CB 1.111 20 residues pruned to eliminate duplicates Z: 25 8.970 1.978 0.464 0.455 0.667 0.542 CB 0.994 25 residues pruned to eliminate duplicates Z: 15 9.690 1.939 0.545 0.531 0.786 0.643 CB 1.067 15 residues pruned to eliminate duplicates Z: 8 3.856 1.895 0.579 0.430 0.857 0.571 CB 0.611 8 residues pruned to eliminate duplicates Z: 11 5.702 1.783 0.608 0.385 0.900 0.600 CB 0.790 11 residues pruned to eliminate duplicates Z: 17 7.432 1.843 0.490 0.367 0.750 0.562 CB 1.040 17 residues pruned to eliminate duplicates Z: 14 7.276 1.926 0.640 0.511 0.692 0.462 CB 0.913 14 residues pruned to eliminate duplicates Z: 7 3.801 1.849 0.230 0.159 1.000 0.333 CB 1.035 7 residues pruned to eliminate duplicates Z: 21 8.294 1.849 0.320 0.294 0.900 0.400 CB 1.064 21 residues pruned to eliminate duplicates Z: 14 4.188 1.700 0.756 0.172 0.615 0.385 CB 0.940 14 residues pruned to eliminate duplicates Z: 26 9.477 1.834 0.380 0.265 0.800 0.480 CB 1.224 26 residues pruned to eliminate duplicates Z: 13 5.742 1.851 0.098 0.214 0.917 0.500 CB 1.245 13 residues pruned to eliminate duplicates Z: 21 9.137 1.819 0.249 0.371 0.700 0.300 O 1.475 21 residues pruned to eliminate duplicates Z: 18 11.276 1.861 0.397 0.408 0.824 0.471 O 1.408 18 residues pruned to eliminate duplicates Z: 20 10.439 1.928 0.760 0.367 0.684 0.368 CB 1.190 20 residues pruned to eliminate duplicates Z: 27 14.393 1.787 0.573 0.331 0.808 0.423 CB 1.495 27 residues pruned to eliminate duplicates Z: 30 12.432 1.871 0.586 0.196 0.828 0.517 CB 1.352 30 residues pruned to eliminate duplicates Z: 31 21.173 1.898 0.560 0.491 0.900 0.367 CB 1.464 31 residues pruned to eliminate duplicates Z: 30 15.684 1.908 0.674 0.346 0.828 0.552 CB 1.303 30 residues pruned to eliminate duplicates Z: 19 12.137 1.978 0.605 0.273 0.833 0.389 CB 1.399 19 residues pruned to eliminate duplicates Z: 16 13.109 2.048 0.684 0.509 0.733 0.467 CB 1.326 16 residues pruned to eliminate duplicates Z: 13 8.919 2.016 0.601 0.266 0.667 0.250 CB 1.563 13 residues pruned to eliminate duplicates Z: 12 12.526 2.055 0.480 0.359 0.909 0.455 O 1.590 12 residues pruned to eliminate duplicates Z: 13 11.167 1.929 0.876 0.371 0.750 0.250 N 1.363 13 residues pruned to eliminate duplicates Z: 17 13.609 1.974 0.710 0.405 0.812 0.375 CB 1.370 17 residues pruned to eliminate duplicates Z: 18 12.052 1.880 0.749 0.558 0.765 0.471 CB 1.099 18 residues pruned to eliminate duplicates Z: 16 15.230 2.033 0.555 0.526 0.867 0.200 CB 1.399 16 residues pruned to eliminate duplicates Z: 19 17.499 1.968 0.658 0.642 0.944 0.389 CB 1.172 19 residues pruned to eliminate duplicates Z: 14 7.325 1.847 0.362 0.642 0.769 0.308 CB 0.919 14 residues pruned to eliminate duplicates Z: 19 13.975 1.955 0.592 0.580 0.889 0.278 CB 1.103 19 residues pruned to eliminate duplicates Z: 24 13.893 1.784 0.734 0.521 0.826 0.391 CB 1.110 24 residues pruned to eliminate duplicates Z: 29 18.565 1.947 0.730 0.537 0.750 0.536 CB 1.339 29 residues pruned to eliminate duplicates Z: 21 11.000 1.935 0.564 0.421 0.700 0.400 CB 1.260 21 residues pruned to eliminate duplicates Z: 51 16.399 1.868 0.570 0.358 0.760 0.460 CB 1.213 51 residues pruned to eliminate duplicates Z: 41 17.975 1.873 0.720 0.439 0.725 0.475 CB 1.295 41 residues pruned to eliminate duplicates Z: 12 17.515 1.946 0.694 0.631 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 12 17.257 1.966 0.633 0.640 1.000 0.818 CB 1.421 12 residues pruned to eliminate duplicates Z: 14 14.798 1.902 0.691 0.589 0.923 0.692 CB 1.271 14 residues pruned to eliminate duplicates Z: 29 15.691 1.926 0.492 0.442 0.786 0.321 CB 1.394 29 residues pruned to eliminate duplicates Z: 17 7.062 1.725 0.329 0.541 0.688 0.375 CB 1.077 17 residues pruned to eliminate duplicates Z: 15 13.230 1.900 0.524 0.433 0.929 0.571 CB 1.408 15 residues pruned to eliminate duplicates Z: 15 18.402 1.954 0.688 0.712 0.857 0.500 CB 1.434 15 residues pruned to eliminate duplicates Z: 16 16.510 1.904 0.764 0.616 0.867 0.533 CB 1.312 16 residues pruned to eliminate duplicates Z: 38 21.201 1.922 0.648 0.565 0.811 0.459 CB 1.275 38 residues pruned to eliminate duplicates Z: 16 14.609 1.898 0.636 0.656 0.800 0.533 CB 1.313 16 residues pruned to eliminate duplicates Z: 14 21.136 1.921 0.787 0.775 1.000 0.692 CB 1.339 14 residues pruned to eliminate duplicates Z: 10 12.801 1.812 0.876 0.695 0.778 0.333 CB 1.350 10 residues pruned to eliminate duplicates Z: 20 22.699 1.919 0.683 0.711 0.947 0.579 CB 1.405 21 residues pruned to eliminate duplicates Z: 16 26.933 1.943 0.811 0.919 1.000 0.733 CB 1.393 16 residues pruned to eliminate duplicates Z: 15 21.362 1.951 0.764 0.830 0.929 0.571 CB 1.343 15 residues pruned to eliminate duplicates Z: 23 17.737 1.851 0.672 0.573 0.818 0.455 CB 1.392 37 residues pruned to eliminate duplicates Z: 20 19.047 1.902 0.655 0.702 0.947 0.526 CB 1.218 20 residues pruned to eliminate duplicates Z: 15 11.876 1.717 0.866 0.737 0.714 0.571 N 1.121 15 residues pruned to eliminate duplicates Z: 6 5.088 1.994 0.345 0.280 1.000 0.400 CB 1.088 Z: 10 5.270 1.540 0.276 0.366 0.889 0.333 CB 1.161 8 residues pruned to eliminate duplicates Z: 8 5.614 1.701 0.485 0.550 1.000 0.571 CB 0.800 Z: 12 12.490 1.817 0.612 0.660 1.000 0.818 CB 1.108 20 residues pruned to eliminate duplicates Z: 19 9.523 1.905 0.398 0.441 0.833 0.444 CB 1.076 22 residues pruned to eliminate duplicates Z: 13 12.863 1.762 0.521 0.828 0.917 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 16 13.209 1.688 0.668 0.496 1.000 0.600 CB 1.216 12 residues pruned to eliminate duplicates Z: 12 12.350 1.819 0.447 0.861 0.909 0.818 O 1.143 12 residues pruned to eliminate duplicates Z: 10 15.477 1.778 1.007 0.651 0.889 0.444 N 1.413 10 residues pruned to eliminate duplicates Z: 7 4.492 1.702 1.040 0.542 0.500 0.167 N 1.013 7 residues pruned to eliminate duplicates Z: 18 10.790 1.814 0.328 0.503 0.882 0.529 CB 1.228 17 residues pruned to eliminate duplicates Z: 10 14.252 1.861 0.641 0.816 0.889 0.778 CB 1.330 15 residues pruned to eliminate duplicates Z: 23 13.549 1.853 0.516 0.497 0.727 0.455 CB 1.418 12 residues pruned to eliminate duplicates Z: 10 12.977 1.792 0.608 0.728 0.889 0.222 N 1.375 10 residues pruned to eliminate duplicates Z: 27 17.396 1.892 0.648 0.545 0.769 0.462 CB 1.362 36 residues pruned to eliminate duplicates Z: 13 11.944 1.825 0.489 0.634 0.833 0.417 CB 1.343 13 residues pruned to eliminate duplicates Z: 20 12.222 1.860 0.496 0.461 0.789 0.421 CB 1.328 20 residues pruned to eliminate duplicates Z: 20 17.447 1.945 0.669 0.499 0.789 0.368 N 1.564 20 residues pruned to eliminate duplicates Z: 23 14.051 1.901 0.634 0.476 0.818 0.455 CB 1.208 23 residues pruned to eliminate duplicates Z: 8 3.630 1.764 0.656 0.388 0.571 0.143 N 0.926 8 residues pruned to eliminate duplicates Z: 13 18.864 1.975 1.004 0.629 0.917 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 16 16.668 1.878 0.884 0.770 0.867 0.533 CB 1.105 16 residues pruned to eliminate duplicates Z: 20 21.615 1.914 0.981 0.579 0.895 0.526 CB 1.354 20 residues pruned to eliminate duplicates Z: 35 18.168 1.828 0.759 0.505 0.794 0.412 CB 1.214 35 residues pruned to eliminate duplicates Z: 15 20.210 1.983 0.858 0.777 0.929 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 14 23.907 2.000 0.839 0.886 1.000 0.846 CB 1.301 14 residues pruned to eliminate duplicates Z: 12 13.272 2.010 0.520 0.555 0.909 0.818 CB 1.366 12 residues pruned to eliminate duplicates Z: 13 10.138 1.934 0.560 0.443 0.833 0.417 CB 1.234 13 residues pruned to eliminate duplicates Z: 24 8.150 1.815 0.465 0.296 0.696 0.435 CB 1.155 15 residues pruned to eliminate duplicates Z: 14 27.328 1.983 1.089 0.930 1.000 0.923 CB 1.279 14 residues pruned to eliminate duplicates Z: 17 21.032 1.985 0.878 0.720 0.875 0.625 CB 1.321 17 residues pruned to eliminate duplicates Z: 12 18.276 1.912 0.960 0.638 0.909 0.727 CB 1.422 12 residues pruned to eliminate duplicates Z: 17 12.782 1.882 0.674 0.476 0.750 0.375 CB 1.386 19 residues pruned to eliminate duplicates Z: 15 22.997 1.961 0.975 0.910 1.000 0.786 CB 1.126 15 residues pruned to eliminate duplicates 829 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 15 D: 7 E: 7 F: 7 G: 7 H: 6 I: 6 J: 9 K: 17 L: 9 M: 10 N: 14 O: 12 P: 9 Q: 13 R: 8 S: 17 T: 18 U: 18 V: 16 W: 22 X: 11 Y: 7 Z: 14 Z: 12 Z: 14 Z: 22 Z: 27 Z: 34 Z: 26 Z: 16 Z: 58 Z: 32 Z: 10 Z: 10 Z: 12 Z: 24 Z: 15 Z: 55 Z: 15 Z: 14 Z: 14 Z: 72 Z: 41 Z: 12 CC for partial structure against native data = 31.16 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.537, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.620, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.719, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.735, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.748, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.755, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.760, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.762, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.763, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.763, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3923 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: 13 5.904 1.822 0.490 0.419 0.583 0.500 CB 1.171 B: 17 16.416 2.008 0.494 0.556 0.938 0.500 CB 1.382 13 residues pruned to eliminate duplicates C: 10 7.360 1.666 0.659 0.549 0.667 0.444 N 1.270 D: 9 8.079 1.861 0.144 0.889 0.875 0.750 CB 1.104 E: 6 6.549 1.507 0.139 0.862 1.000 0.800 CB 1.253 F: 22 29.604 1.944 0.887 0.898 1.000 0.667 CB 1.259 G: 15 19.122 1.776 0.808 0.834 1.000 0.786 CB 1.192 H: 8 13.860 1.939 0.501 0.861 1.000 1.000 CB 1.323 I: 21 26.568 1.955 0.715 0.885 1.000 0.750 CB 1.279 21 residues pruned to eliminate duplicates J: 11 16.839 2.085 0.671 0.672 0.900 0.700 CB 1.448 K: 9 13.511 1.983 0.647 0.856 1.000 0.750 CB 1.079 L: 11 4.759 1.658 0.598 0.169 0.800 0.300 CB 1.060 M: 16 7.254 1.814 0.460 0.248 0.800 0.333 CB 1.182 N: 21 26.029 1.951 0.600 0.897 0.950 0.850 CB 1.406 O: 10 14.662 1.640 0.653 0.815 1.000 0.778 N 1.372 P: 14 11.592 1.937 0.629 0.454 0.846 0.538 CB 1.262 Q: 7 9.141 1.964 1.188 0.795 0.833 0.667 CB 0.804 R: 8 3.538 1.966 0.378 0.368 1.000 0.571 CB 0.568 S: 17 14.541 1.746 0.611 0.787 0.938 0.562 CB 1.072 13 residues pruned to eliminate duplicates T: 22 26.478 1.862 0.885 0.906 0.905 0.762 CB 1.294 22 residues pruned to eliminate duplicates U: 16 11.497 1.636 0.375 0.870 1.000 0.733 CB 0.964 V: 13 16.389 1.879 0.679 0.871 0.917 0.833 CB 1.193 19 residues pruned to eliminate duplicates W: 8 11.208 1.719 0.358 0.785 1.000 0.714 N 1.412 X: 9 13.339 1.801 0.470 0.859 1.000 0.750 CB 1.311 Y: 10 4.238 1.649 0.226 0.366 0.667 0.444 CB 1.211 Z: 8 4.695 1.512 0.537 0.358 0.714 0.286 N 1.247 8 residues pruned to eliminate duplicates Z: 8 7.403 2.002 0.420 0.544 0.857 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 8 5.988 1.845 0.352 0.425 0.857 0.714 CB 1.144 8 residues pruned to eliminate duplicates Z: 8 11.969 2.018 0.450 0.886 0.857 0.857 CB 1.302 Z: 10 10.163 1.669 0.385 0.819 1.000 0.667 CB 1.111 Z: 9 7.530 1.886 0.042 0.526 0.875 0.500 CB 1.510 Z: 25 25.683 1.899 0.734 0.861 0.958 0.667 CB 1.220 22 residues pruned to eliminate duplicates Z: 7 5.929 1.840 0.759 0.731 0.500 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 14 9.944 1.850 0.295 0.855 0.923 0.846 CB 0.920 Z: 7 6.302 1.612 0.563 0.611 0.833 0.667 CB 1.103 Z: 6 4.085 1.718 0.596 0.317 0.800 0.200 CB 1.019 Z: 12 7.580 1.938 0.318 0.303 0.909 0.727 CB 1.226 Z: 8 4.659 1.646 0.108 0.359 0.857 0.429 CB 1.311 Z: 8 10.303 1.910 0.729 0.687 0.714 0.429 CB 1.391 8 residues pruned to eliminate duplicates Z: 8 16.370 1.896 0.933 0.796 1.000 0.714 CB 1.304 7 residues pruned to eliminate duplicates Z: 15 6.930 1.855 0.057 0.494 0.786 0.714 CB 1.210 Z: 13 17.848 1.870 0.471 0.867 0.917 0.833 O 1.494 Z: 21 11.357 1.646 0.376 0.551 0.950 0.450 CB 1.123 Z: 15 16.313 1.869 0.784 0.852 0.929 0.714 CB 1.042 15 residues pruned to eliminate duplicates Z: 16 15.829 1.819 0.326 0.904 1.000 1.000 CB 1.207 Z: 23 11.408 1.760 0.596 0.460 0.773 0.364 CB 1.168 Z: 6 5.178 1.897 0.223 0.791 1.000 0.400 CB 0.773 6 residues pruned to eliminate duplicates Z: 16 26.061 1.994 0.816 0.909 0.933 0.667 CB 1.413 12 residues pruned to eliminate duplicates Z: 15 12.236 1.694 0.301 0.796 0.929 0.643 CB 1.233 Z: 21 7.477 1.631 0.465 0.275 0.800 0.400 CB 1.128 9 residues pruned to eliminate duplicates Z: 10 7.954 1.797 0.474 0.829 0.889 0.778 CB 0.848 Z: 21 25.380 1.905 0.700 0.872 1.000 0.700 CB 1.277 21 residues pruned to eliminate duplicates Z: 15 10.763 1.522 0.601 0.746 0.857 0.643 CB 1.105 15 residues pruned to eliminate duplicates Z: 21 31.566 1.967 0.738 0.875 1.000 0.850 CB 1.501 22 residues pruned to eliminate duplicates Z: 11 3.290 1.800 0.352 0.188 0.700 0.300 CB 0.888 Z: 11 7.690 1.521 0.754 0.462 0.900 0.500 CB 1.052 7 residues pruned to eliminate duplicates Z: 15 18.952 1.835 0.776 0.842 0.929 0.714 CB 1.248 Z: 12 16.983 1.938 0.456 0.824 0.909 0.545 CB 1.507 12 residues pruned to eliminate duplicates Z: 7 8.632 1.937 0.253 0.870 1.000 1.000 CB 1.060 Z: 11 5.584 1.821 0.113 0.529 0.900 0.600 CB 0.941 11 residues pruned to eliminate duplicates Z: 14 13.173 1.804 0.681 0.433 0.923 0.692 CB 1.399 14 residues pruned to eliminate duplicates Z: 21 25.464 1.884 0.794 0.881 1.000 0.900 CB 1.220 20 residues pruned to eliminate duplicates Z: 17 5.639 1.626 0.550 0.189 0.688 0.375 CB 1.181 Z: 7 2.683 1.668 0.435 0.510 0.500 0.333 CB 0.906 7 residues pruned to eliminate duplicates Z: 11 6.850 1.674 0.482 0.358 0.800 0.500 O 1.272 10 residues pruned to eliminate duplicates Z: 8 3.387 1.628 0.598 0.726 0.429 0.286 CB 0.937 8 residues pruned to eliminate duplicates Z: 17 8.150 1.804 0.346 0.561 0.938 0.688 CB 0.844 10 residues pruned to eliminate duplicates Z: 18 23.432 1.938 0.723 0.868 0.882 0.706 CB 1.410 18 residues pruned to eliminate duplicates Z: 10 4.344 1.572 0.266 0.407 0.778 0.444 CB 1.032 8 residues pruned to eliminate duplicates Z: 13 13.818 1.817 0.309 0.846 1.000 0.917 CB 1.246 13 residues pruned to eliminate duplicates Z: 6 3.627 1.783 0.082 0.397 0.800 0.400 CB 1.172 6 residues pruned to eliminate duplicates Z: 16 10.072 1.733 0.377 0.797 0.933 0.733 CB 0.900 14 residues pruned to eliminate duplicates Z: 10 8.141 1.575 0.364 0.777 0.889 0.556 O 1.113 Z: 13 19.784 1.976 0.613 0.865 1.000 0.750 CB 1.313 14 residues pruned to eliminate duplicates Z: 22 12.446 1.697 0.323 0.549 0.952 0.571 CB 1.211 34 residues pruned to eliminate duplicates Z: 9 16.275 2.051 0.813 0.836 1.000 0.875 CB 1.158 15 residues pruned to eliminate duplicates Z: 7 4.250 1.502 0.561 0.458 0.833 0.500 CB 0.927 Z: 6 3.045 1.849 -0.314 0.834 1.000 0.800 CB 0.805 Z: 23 20.296 1.843 0.660 0.852 0.818 0.727 CB 1.279 23 residues pruned to eliminate duplicates Z: 10 4.334 1.856 0.180 0.653 0.667 0.444 CB 0.859 4 residues pruned to eliminate duplicates Z: 6 3.020 1.517 -0.093 0.576 0.800 0.400 CB 1.141 Z: 19 28.071 1.970 0.744 0.881 1.000 0.667 CB 1.395 19 residues pruned to eliminate duplicates Z: 10 9.532 1.721 0.635 0.796 1.000 0.778 CB 0.871 9 residues pruned to eliminate duplicates Z: 9 7.189 1.721 0.556 0.605 0.625 0.500 CB 1.375 9 residues pruned to eliminate duplicates Z: 13 16.931 1.888 0.695 0.849 0.917 0.500 CB 1.236 12 residues pruned to eliminate duplicates Z: 9 11.334 1.870 0.257 0.882 1.000 1.000 CB 1.234 7 residues pruned to eliminate duplicates Z: 14 18.434 1.884 0.816 0.897 1.000 0.846 CB 1.070 14 residues pruned to eliminate duplicates Z: 9 7.889 1.634 0.241 0.833 0.875 0.875 CB 1.179 9 residues pruned to eliminate duplicates Z: 27 28.666 1.859 0.843 0.874 0.962 0.692 CB 1.242 25 residues pruned to eliminate duplicates 6 1.685 1.540 -0.087 0.505 0.600 0.600 CB 0.889 ? Z: 14 6.483 1.564 0.462 0.422 0.846 0.615 CB 1.008 Z: 7 4.055 1.711 -0.061 0.858 0.833 0.500 CB 0.910 Z: 20 22.012 1.912 0.563 0.870 0.947 0.789 CB 1.302 20 residues pruned to eliminate duplicates Z: 8 4.453 1.692 0.770 0.661 0.714 0.429 CB 0.678 Z: 7 7.346 1.706 0.503 0.726 0.833 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 6 7.593 1.728 1.044 0.445 0.800 0.600 O 1.271 Z: 11 6.821 1.691 0.405 0.768 0.900 0.500 CB 0.795 Z: 13 21.253 1.910 0.634 0.878 0.917 0.500 CB 1.556 14 residues pruned to eliminate duplicates Z: 6 7.343 1.815 0.506 0.836 1.000 0.400 CB 0.900 Z: 7 13.740 1.795 0.752 0.834 1.000 0.667 CB 1.337 Z: 12 9.996 1.649 0.452 0.837 0.818 0.818 CB 1.151 10 residues pruned to eliminate duplicates Z: 9 5.646 1.629 0.228 0.684 0.750 0.625 CB 1.124 9 residues pruned to eliminate duplicates Z: 13 13.738 1.781 0.695 0.798 0.917 0.667 CB 1.104 10 residues pruned to eliminate duplicates Z: 15 7.044 1.840 0.365 0.277 0.786 0.357 CB 1.228 16 residues pruned to eliminate duplicates Z: 9 6.281 1.680 0.058 0.773 1.000 0.750 O 0.981 7 residues pruned to eliminate duplicates Z: 34 22.221 1.955 0.798 0.652 0.788 0.515 CB 1.212 48 residues pruned to eliminate duplicates Z: 37 14.200 1.736 0.582 0.434 0.694 0.417 CB 1.328 37 residues pruned to eliminate duplicates Z: 14 12.159 1.822 0.328 0.784 0.923 0.462 O 1.176 14 residues pruned to eliminate duplicates Z: 7 4.446 1.549 0.204 0.550 0.833 0.500 CB 1.113 Z: 12 17.517 1.775 0.944 0.787 0.909 0.636 CB 1.308 8 residues pruned to eliminate duplicates Z: 13 19.185 1.914 0.503 0.889 1.000 0.667 CB 1.386 13 residues pruned to eliminate duplicates Z: 7 2.954 1.614 0.048 0.249 0.667 0.500 N 1.428 Z: 9 2.764 1.766 -0.069 0.207 0.750 0.375 CB 1.121 Z: 10 6.603 1.902 0.592 0.543 0.556 0.333 O 1.253 10 residues pruned to eliminate duplicates 6 1.937 1.479 0.617 0.283 0.600 0.600 O 0.771 ? Z: 7 7.574 1.688 0.607 0.576 0.833 0.667 CB 1.271 7 residues pruned to eliminate duplicates Z: 11 5.251 1.725 0.579 0.477 0.800 0.700 CB 0.780 Z: 13 4.518 1.768 0.309 0.350 0.667 0.333 CB 0.994 Z: 13 7.288 1.733 0.462 0.296 0.833 0.417 CB 1.253 15 residues pruned to eliminate duplicates Z: 8 5.285 1.753 0.514 0.715 0.857 0.571 CB 0.722 8 residues pruned to eliminate duplicates Z: 12 4.853 1.559 0.354 0.425 0.727 0.545 CB 1.030 Z: 9 11.747 1.775 0.477 0.873 1.000 1.000 CB 1.154 11 residues pruned to eliminate duplicates Z: 9 11.199 1.883 0.620 0.793 1.000 0.750 CB 1.004 8 residues pruned to eliminate duplicates Z: 15 5.656 1.511 0.359 0.427 0.786 0.286 CB 1.011 Z: 10 6.598 1.779 0.475 0.398 0.667 0.556 CB 1.401 14 residues pruned to eliminate duplicates Z: 24 24.621 1.951 0.715 0.834 0.957 0.826 CB 1.202 21 residues pruned to eliminate duplicates Z: 6 6.115 1.925 0.791 0.686 0.800 0.800 CB 0.836 6 1.772 1.549 0.212 0.295 0.600 0.600 N 0.884 ? Z: 11 17.346 1.773 0.924 0.811 1.000 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 8 14.479 1.868 1.072 0.663 0.857 0.714 O 1.418 7 residues pruned to eliminate duplicates Z: 16 16.283 1.861 0.859 0.660 0.800 0.267 CB 1.310 14 residues pruned to eliminate duplicates Z: 6 8.815 2.003 0.311 0.821 1.000 0.600 CB 1.136 8 residues pruned to eliminate duplicates Z: 7 9.435 1.817 0.615 0.792 1.000 0.667 CB 1.016 7 residues pruned to eliminate duplicates Z: 13 8.645 1.949 0.408 0.426 0.833 0.500 CB 1.178 13 residues pruned to eliminate duplicates Z: 9 9.242 1.718 0.638 0.832 0.875 0.875 N 0.996 8 residues pruned to eliminate duplicates Z: 14 16.023 1.869 0.650 0.815 0.923 0.615 CB 1.186 9 residues pruned to eliminate duplicates Z: 7 2.583 1.484 0.660 0.237 0.500 0.167 CB 1.162 Z: 9 9.012 1.870 0.426 0.875 1.000 0.875 CB 0.869 11 residues pruned to eliminate duplicates Z: 17 15.832 1.806 0.867 0.795 0.875 0.562 CB 1.037 16 residues pruned to eliminate duplicates Z: 16 9.898 1.819 0.379 0.521 0.733 0.467 CB 1.361 Z: 9 4.386 1.632 0.317 0.882 1.000 0.875 CB 0.522 Z: 6 4.754 1.580 0.155 0.486 0.800 0.600 N 1.477 Z: 38 15.718 1.823 0.555 0.412 0.784 0.405 CB 1.275 23 residues pruned to eliminate duplicates Z: 10 5.676 1.837 0.276 0.473 0.778 0.556 CB 1.067 10 residues pruned to eliminate duplicates Z: 13 8.063 1.878 0.812 0.348 0.667 0.417 CB 1.210 13 residues pruned to eliminate duplicates Z: 7 5.589 1.670 0.061 0.594 0.833 0.667 CB 1.411 Z: 21 23.936 1.919 0.512 0.911 1.000 0.900 O 1.308 21 residues pruned to eliminate duplicates Z: 17 23.899 1.952 0.760 0.862 0.938 0.625 CB 1.363 17 residues pruned to eliminate duplicates Z: 24 28.277 1.928 0.742 0.905 1.000 0.957 CB 1.250 24 residues pruned to eliminate duplicates Z: 11 8.650 1.842 0.747 0.500 0.800 0.600 CB 1.063 Z: 13 8.191 1.820 0.534 0.686 0.833 0.667 CB 0.857 Z: 8 10.149 1.778 0.606 0.773 0.857 0.571 CB 1.231 Z: 10 13.969 1.838 0.516 0.867 1.000 0.778 CB 1.223 Z: 14 16.565 1.617 0.688 0.899 1.000 1.000 CB 1.203 11 residues pruned to eliminate duplicates Z: 14 19.966 1.731 0.952 0.898 1.000 0.846 CB 1.171 14 residues pruned to eliminate duplicates Z: 16 21.947 1.996 0.572 0.897 0.933 0.733 CB 1.386 16 residues pruned to eliminate duplicates Z: 7 6.302 1.746 0.508 0.527 0.833 0.667 N 1.143 Z: 13 5.766 1.632 0.278 0.149 0.917 0.333 CB 1.341 13 residues pruned to eliminate duplicates Z: 9 10.271 1.725 0.811 0.764 0.750 0.625 O 1.226 Z: 6 3.642 1.579 0.446 0.884 1.000 1.000 CB 0.516 Z: 32 13.748 1.746 0.360 0.568 0.968 0.516 CB 1.006 37 residues pruned to eliminate duplicates Z: 7 3.746 1.687 0.142 0.424 0.833 0.833 CB 1.031 7 residues pruned to eliminate duplicates Z: 9 2.680 1.696 0.771 0.277 0.625 0.500 CB 0.650 Z: 6 5.043 1.416 0.349 0.757 0.800 0.800 O 1.174 Z: 9 4.130 1.552 0.306 0.296 0.875 0.500 CB 1.034 Z: 18 10.513 1.797 0.477 0.491 0.882 0.471 CB 1.098 15 residues pruned to eliminate duplicates Z: 10 8.312 1.663 0.484 0.350 0.889 0.444 N 1.486 Z: 8 7.457 1.700 0.251 0.842 0.857 0.714 N 1.153 8 residues pruned to eliminate duplicates Z: 6 4.219 1.483 0.251 0.560 0.800 0.600 CB 1.199 Z: 20 12.516 1.754 0.661 0.446 0.895 0.526 CB 1.164 20 residues pruned to eliminate duplicates Z: 7 9.265 1.766 0.481 0.810 0.833 0.500 O 1.325 7 residues pruned to eliminate duplicates Z: 14 32.171 2.019 0.873 0.925 1.000 0.923 O 1.657 14 residues pruned to eliminate duplicates Z: 6 2.315 1.800 -0.344 0.286 0.800 0.400 CB 1.394 Z: 15 23.738 1.975 0.715 0.899 1.000 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 7 3.680 1.505 0.194 0.403 0.833 0.667 N 1.110 6 residues pruned to eliminate duplicates Z: 6 3.361 1.730 0.243 0.507 0.600 0.400 CB 1.156 Z: 8 9.215 1.711 0.586 0.784 0.857 0.571 CB 1.166 8 residues pruned to eliminate duplicates Z: 19 9.056 1.799 0.652 0.408 0.667 0.556 CB 1.186 19 residues pruned to eliminate duplicates Z: 7 4.007 1.390 0.427 0.549 0.833 0.500 O 0.943 Z: 12 7.285 1.571 0.559 0.727 0.909 0.727 CB 0.804 12 residues pruned to eliminate duplicates Z: 12 17.307 1.895 0.553 0.883 0.909 0.818 CB 1.410 13 residues pruned to eliminate duplicates Z: 6 5.094 1.779 0.991 0.766 0.800 0.800 CB 0.635 Z: 12 16.149 1.654 0.766 0.870 1.000 0.818 CB 1.217 12 residues pruned to eliminate duplicates Z: 6 3.364 1.649 -0.108 0.449 0.800 0.400 N 1.347 Z: 9 4.161 1.913 0.660 0.869 0.875 0.875 CB 0.387 Z: 7 4.460 1.485 0.646 0.738 0.833 0.500 O 0.722 Z: 8 6.705 1.711 0.464 0.889 0.857 0.714 CB 0.849 Z: 9 13.774 1.923 0.342 0.922 1.000 1.000 CB 1.327 9 residues pruned to eliminate duplicates Z: 7 3.479 1.529 0.011 0.398 0.833 0.833 N 1.228 Z: 22 10.584 1.696 0.654 0.412 0.714 0.476 CB 1.263 22 residues pruned to eliminate duplicates Z: 16 8.727 1.617 0.634 0.685 0.800 0.600 CB 0.899 15 residues pruned to eliminate duplicates Z: 8 8.890 2.006 0.135 0.796 1.000 0.571 CB 1.139 8 residues pruned to eliminate duplicates Z: 7 2.866 1.504 0.096 0.479 0.667 0.500 CB 1.087 Z: 11 10.529 1.890 0.297 0.391 1.000 0.700 CB 1.524 Z: 7 3.756 1.519 0.392 0.247 0.833 0.667 CB 1.166 Z: 23 6.616 1.767 0.449 0.309 0.591 0.318 CB 1.152 23 residues pruned to eliminate duplicates Z: 6 3.817 1.542 0.471 0.299 0.800 0.600 C 1.178 Z: 6 3.870 1.363 0.335 0.493 0.800 0.800 CB 1.196 Z: 10 9.625 1.796 0.595 0.747 0.889 0.667 CB 1.011 10 residues pruned to eliminate duplicates Z: 8 8.088 1.762 0.814 0.606 0.714 0.286 CB 1.211 8 residues pruned to eliminate duplicates Z: 17 23.405 1.801 0.763 0.882 0.938 0.812 CB 1.422 15 residues pruned to eliminate duplicates Z: 9 6.967 1.752 0.432 0.290 0.875 0.375 CB 1.421 8 residues pruned to eliminate duplicates Z: 6 4.019 1.904 -0.167 0.785 1.000 1.000 CB 0.882 13 residues pruned to eliminate duplicates Z: 9 4.698 1.701 0.139 0.446 0.875 0.500 CB 1.036 Z: 9 14.962 1.800 0.704 0.875 1.000 0.750 CB 1.254 9 residues pruned to eliminate duplicates Z: 20 14.700 1.884 0.515 0.612 0.842 0.474 CB 1.262 24 residues pruned to eliminate duplicates Z: 8 7.000 1.866 0.237 0.826 1.000 1.000 CB 0.865 Z: 9 9.108 1.723 0.708 0.670 0.750 0.375 O 1.247 9 residues pruned to eliminate duplicates Z: 12 8.447 1.687 0.295 0.640 1.000 0.818 CB 1.022 10 residues pruned to eliminate duplicates Z: 16 11.158 1.631 0.324 0.863 1.000 0.800 CB 0.979 16 residues pruned to eliminate duplicates Z: 13 10.257 1.768 0.538 0.565 1.000 0.500 CB 1.023 13 residues pruned to eliminate duplicates Z: 7 5.736 1.701 0.755 0.432 0.667 0.500 C 1.263 Z: 18 7.347 1.604 0.409 0.403 0.882 0.353 CB 0.990 17 residues pruned to eliminate duplicates Z: 11 12.596 1.961 0.945 0.587 0.700 0.600 CB 1.372 12 residues pruned to eliminate duplicates Z: 10 5.196 1.506 0.455 0.513 0.778 0.333 CB 1.003 Z: 12 6.061 1.778 0.409 0.204 0.818 0.545 CB 1.266 Z: 10 8.307 1.611 0.543 0.682 0.778 0.667 CB 1.211 Z: 10 12.051 1.788 0.656 0.822 0.889 0.667 CB 1.155 10 residues pruned to eliminate duplicates Z: 11 8.854 1.689 0.366 0.835 0.900 0.800 CB 1.010 5 residues pruned to eliminate duplicates Z: 7 8.927 1.754 0.341 0.794 0.833 0.667 CB 1.437 7 residues pruned to eliminate duplicates Z: 10 10.087 1.660 0.350 0.744 1.000 0.778 CB 1.206 9 residues pruned to eliminate duplicates Z: 6 4.224 1.673 0.668 0.266 0.600 0.400 CB 1.473 Z: 17 13.452 1.755 0.672 0.621 1.000 0.688 CB 1.023 17 residues pruned to eliminate duplicates Z: 8 5.067 1.632 0.682 0.605 1.000 0.857 CB 0.632 Z: 11 7.760 1.480 0.460 0.761 0.900 0.700 CB 1.001 9 residues pruned to eliminate duplicates Z: 9 3.866 1.722 0.572 0.406 0.625 0.375 CB 0.892 9 residues pruned to eliminate duplicates Z: 15 4.671 1.757 0.052 0.206 0.786 0.571 CB 1.217 15 residues pruned to eliminate duplicates Z: 9 10.610 1.960 0.672 0.788 1.000 0.500 CB 0.889 9 residues pruned to eliminate duplicates Z: 23 8.771 1.872 0.280 0.293 0.818 0.591 CB 1.204 8 residues pruned to eliminate duplicates Z: 10 8.837 1.744 0.491 0.794 0.778 0.778 CB 1.125 8 residues pruned to eliminate duplicates Z: 11 8.007 1.641 0.506 0.725 0.700 0.500 O 1.195 Z: 8 4.668 1.747 0.079 0.835 1.000 0.857 CB 0.701 Z: 6 2.977 1.377 0.091 0.322 1.000 0.600 N 1.079 Z: 8 8.267 1.679 0.582 0.868 1.000 0.714 CB 0.860 8 residues pruned to eliminate duplicates Z: 13 8.221 1.680 0.493 0.771 0.833 0.667 CB 0.894 6 residues pruned to eliminate duplicates Z: 7 7.395 1.719 0.523 0.686 0.667 0.667 N 1.459 7 residues pruned to eliminate duplicates Z: 9 4.891 1.414 0.615 0.476 0.750 0.500 CB 1.034 Z: 6 4.252 1.704 -0.001 0.824 1.000 0.800 CB 0.844 Z: 6 4.103 1.378 0.455 0.575 1.000 0.400 CB 0.851 Z: 6 2.662 1.616 0.190 0.774 0.800 0.600 CB 0.608 Z: 13 14.068 1.617 0.577 0.911 1.000 0.750 CB 1.128 Z: 7 6.696 1.537 0.246 0.811 1.000 0.500 O 1.089 Z: 8 6.193 1.676 0.963 0.621 0.857 0.714 CB 0.740 Z: 15 8.173 1.754 0.433 0.361 0.786 0.429 CB 1.285 31 residues pruned to eliminate duplicates Z: 10 3.175 1.565 -0.084 0.373 0.667 0.333 CB 1.268 8 residues pruned to eliminate duplicates Z: 18 13.449 1.593 0.532 0.799 0.882 0.647 CB 1.166 18 residues pruned to eliminate duplicates Z: 11 2.270 1.572 0.131 0.243 0.600 0.400 CB 0.906 Z: 10 3.657 1.578 0.396 0.272 0.667 0.333 CB 1.075 10 residues pruned to eliminate duplicates Z: 9 10.475 1.773 0.237 0.830 0.875 0.500 CB 1.451 9 residues pruned to eliminate duplicates Z: 9 3.881 1.535 0.258 0.329 0.875 0.375 N 0.979 Z: 9 9.732 1.687 0.381 0.782 1.000 0.875 CB 1.152 8 residues pruned to eliminate duplicates Z: 7 8.170 1.737 0.449 0.829 0.833 0.833 CB 1.196 6 residues pruned to eliminate duplicates 7 1.580 1.884 0.145 0.318 0.667 0.667 CB 0.548 ? Z: 14 12.979 1.824 0.488 0.768 0.923 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 8 2.942 1.388 0.010 0.365 0.857 0.429 CB 1.070 Z: 9 3.852 1.625 0.831 0.185 0.625 0.500 CB 1.070 Z: 7 12.866 1.902 0.959 0.825 0.833 0.833 N 1.277 7 residues pruned to eliminate duplicates Z: 9 3.322 1.443 0.383 0.332 0.750 0.375 CB 0.943 Z: 9 3.964 1.586 0.198 0.393 0.750 0.625 CB 1.102 Z: 8 5.413 1.678 0.289 0.736 0.714 0.571 CB 1.072 Z: 9 2.917 1.534 0.516 0.183 0.750 0.375 N 0.866 Z: 10 11.255 1.761 0.340 0.741 0.889 0.778 O 1.441 7 residues pruned to eliminate duplicates 6 1.997 1.407 0.301 0.347 0.600 0.400 CB 0.960 ? Z: 12 13.813 1.686 0.635 0.795 1.000 0.818 CB 1.166 13 residues pruned to eliminate duplicates Z: 16 10.238 1.763 0.533 0.418 0.800 0.600 CB 1.332 16 residues pruned to eliminate duplicates Z: 6 3.820 1.507 0.941 0.362 0.800 0.600 CB 0.847 Z: 22 9.626 1.720 0.458 0.418 0.810 0.429 CB 1.127 14 residues pruned to eliminate duplicates Z: 11 5.395 1.509 0.170 0.517 0.900 0.500 CB 1.055 Z: 38 25.932 1.952 0.615 0.567 0.865 0.514 CB 1.466 38 residues pruned to eliminate duplicates Z: 18 15.319 1.770 0.482 0.830 1.000 0.765 CB 1.065 18 residues pruned to eliminate duplicates Z: 11 15.155 2.060 0.610 0.646 0.900 0.600 CB 1.401 9 residues pruned to eliminate duplicates Z: 8 6.925 1.719 0.221 0.833 1.000 0.857 CB 0.935 9 residues pruned to eliminate duplicates Z: 12 3.984 1.299 0.234 0.658 0.818 0.545 O 0.791 Z: 7 2.166 1.356 0.587 0.482 0.667 0.500 N 0.628 Z: 7 5.334 1.503 0.317 0.529 1.000 0.500 N 1.069 Z: 10 3.371 1.748 0.164 0.206 0.667 0.444 CB 1.173 Z: 9 8.098 1.668 0.528 0.725 0.875 0.625 CB 1.048 Z: 13 12.417 1.889 0.521 0.673 0.917 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 8 14.703 1.902 0.597 0.877 1.000 0.857 CB 1.328 8 residues pruned to eliminate duplicates Z: 8 6.734 1.717 0.597 0.459 0.714 0.571 N 1.355 Z: 11 6.337 1.732 0.645 0.805 0.600 0.400 CB 0.898 11 residues pruned to eliminate duplicates Z: 12 8.651 1.717 0.462 0.622 0.818 0.636 CB 1.132 10 residues pruned to eliminate duplicates Z: 6 6.802 1.752 0.557 0.577 1.000 0.800 CB 1.036 Z: 25 5.423 1.679 0.265 0.227 0.833 0.292 CB 0.860 25 residues pruned to eliminate duplicates Z: 15 7.707 1.537 0.182 0.787 0.857 0.571 CB 1.027 Z: 10 15.483 1.682 0.638 0.918 1.000 1.000 CB 1.321 6 residues pruned to eliminate duplicates Z: 12 4.238 1.515 0.758 0.326 0.636 0.364 N 0.912 Z: 22 16.483 1.846 0.687 0.558 0.857 0.619 CB 1.274 23 residues pruned to eliminate duplicates Z: 7 12.555 1.862 0.435 0.814 1.000 0.667 CB 1.460 8 residues pruned to eliminate duplicates Z: 11 15.528 1.784 0.901 0.863 0.900 0.700 O 1.181 11 residues pruned to eliminate duplicates Z: 8 7.365 1.641 0.827 0.635 0.857 0.571 O 0.954 Z: 13 14.563 1.665 0.631 0.787 1.000 0.750 CB 1.202 13 residues pruned to eliminate duplicates Z: 7 7.127 1.866 0.152 0.626 1.000 0.500 CB 1.202 Z: 13 10.659 1.529 0.755 0.830 0.917 0.500 CB 0.940 6 1.329 1.470 0.304 0.299 0.600 0.400 CB 0.646 ? Z: 14 3.094 1.338 0.716 0.167 0.692 0.231 N 0.809 Z: 8 2.652 1.405 0.150 0.434 0.714 0.429 CB 0.929 Z: 7 2.859 1.462 0.562 0.337 0.667 0.500 N 0.916 Z: 33 10.309 1.793 0.487 0.244 0.781 0.344 CB 1.177 37 residues pruned to eliminate duplicates Z: 8 3.516 1.564 0.342 0.463 0.571 0.286 CB 1.151 8 residues pruned to eliminate duplicates Z: 9 11.237 1.743 0.471 0.829 0.875 0.750 CB 1.331 9 residues pruned to eliminate duplicates Z: 7 3.581 1.662 0.076 0.667 0.833 0.667 CB 0.840 Z: 9 4.735 1.522 0.121 0.466 0.875 0.500 CB 1.161 Z: 7 4.421 1.540 0.397 0.605 0.667 0.500 O 1.138 Z: 11 7.643 1.610 0.238 0.856 0.900 0.900 CB 0.993 9 residues pruned to eliminate duplicates Z: 10 2.826 1.326 0.523 0.229 0.667 0.444 CB 0.959 Z: 10 9.232 1.643 0.422 0.808 1.000 0.778 CB 1.007 7 residues pruned to eliminate duplicates Z: 14 20.528 1.819 0.752 0.861 0.923 0.692 O 1.423 14 residues pruned to eliminate duplicates Z: 6 2.587 1.393 0.397 0.279 0.600 0.600 N 1.271 6 residues pruned to eliminate duplicates Z: 11 3.890 1.535 0.449 0.279 0.700 0.500 CB 1.015 Z: 11 7.587 1.874 0.365 0.513 0.900 0.500 CB 1.028 11 residues pruned to eliminate duplicates Z: 8 3.333 1.479 0.211 0.270 0.714 0.429 CB 1.279 Z: 6 3.227 1.589 0.585 0.485 0.800 0.800 CB 0.727 Z: 6 4.188 1.786 -0.022 0.749 1.000 0.600 CB 0.859 5 residues pruned to eliminate duplicates Z: 6 3.089 1.662 0.389 0.480 0.600 0.600 CB 1.018 Z: 15 4.623 1.719 0.085 0.241 0.786 0.214 CB 1.137 8 residues pruned to eliminate duplicates Z: 7 8.207 1.830 0.795 0.895 1.000 0.833 CB 0.731 Z: 8 3.815 1.388 0.027 0.603 1.000 0.714 CB 0.918 Z: 7 6.513 1.677 0.662 0.717 0.833 0.500 CB 0.941 Z: 13 11.917 1.635 0.634 0.816 0.833 0.500 CB 1.174 13 residues pruned to eliminate duplicates Z: 10 3.389 1.835 0.580 0.269 0.444 0.444 O 1.141 10 residues pruned to eliminate duplicates Z: 8 2.022 1.776 0.315 0.090 0.571 0.143 CB 0.970 8 residues pruned to eliminate duplicates 9 1.793 1.386 0.048 0.197 0.625 0.375 CB 1.002 ? Z: 13 4.444 1.508 0.039 0.647 0.667 0.583 CB 1.071 13 residues pruned to eliminate duplicates Z: 13 13.853 1.822 0.762 0.848 0.833 0.750 CB 1.109 13 residues pruned to eliminate duplicates Z: 8 2.752 1.616 0.558 0.461 0.714 0.571 CB 0.602 Z: 8 8.473 1.736 0.660 0.870 0.857 0.714 CB 0.947 7 residues pruned to eliminate duplicates Z: 6 4.320 1.732 0.353 0.356 0.800 0.600 CB 1.204 Z: 8 3.594 1.640 0.055 0.350 0.857 0.286 CB 1.077 Z: 8 2.559 1.549 0.230 0.356 0.429 0.286 N 1.383 Z: 7 2.453 1.592 0.114 0.357 0.667 0.333 CB 0.988 Z: 8 6.152 1.760 0.428 0.725 0.857 0.714 CB 0.881 Z: 9 11.124 1.836 0.626 0.858 0.875 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 20 5.698 1.701 0.421 0.335 0.632 0.421 CB 1.026 20 residues pruned to eliminate duplicates Z: 6 3.338 1.719 0.581 0.368 0.600 0.600 CB 1.055 Z: 10 5.943 1.675 0.646 0.310 0.667 0.444 O 1.330 12 residues pruned to eliminate duplicates Z: 6 7.504 1.758 0.436 0.878 1.000 1.000 CB 0.965 2 residues pruned to eliminate duplicates Z: 8 3.749 1.558 0.554 0.405 0.714 0.286 CB 0.906 Z: 6 5.580 1.690 0.374 0.862 1.000 1.000 CB 0.789 Z: 8 7.110 1.730 1.217 0.260 0.714 0.429 N 1.291 Z: 12 12.904 1.820 0.714 0.742 0.909 0.636 CB 1.105 12 residues pruned to eliminate duplicates Z: 8 3.334 1.677 0.582 0.269 0.571 0.571 CB 1.081 Z: 12 5.810 1.565 0.401 0.511 0.727 0.364 N 1.087 9 residues pruned to eliminate duplicates Z: 6 6.835 1.793 0.340 0.753 0.800 0.600 CB 1.269 7 residues pruned to eliminate duplicates Z: 7 3.691 1.583 0.588 0.567 0.667 0.667 CB 0.843 7 residues pruned to eliminate duplicates Z: 10 4.335 1.338 0.424 0.833 1.000 0.889 CB 0.569 Z: 13 8.876 1.580 0.170 0.821 1.000 0.833 CB 1.049 9 residues pruned to eliminate duplicates Z: 16 6.392 1.606 0.462 0.334 0.733 0.333 CB 1.148 23 residues pruned to eliminate duplicates Z: 7 3.537 1.385 0.453 0.729 0.833 0.833 CB 0.700 Z: 10 9.983 1.765 0.407 0.820 0.889 0.556 CB 1.142 10 residues pruned to eliminate duplicates Z: 7 5.141 1.779 0.303 0.816 1.000 0.667 CB 0.688 8 residues pruned to eliminate duplicates Z: 11 9.418 1.832 0.564 0.868 0.900 0.800 CB 0.845 9 residues pruned to eliminate duplicates Z: 12 5.978 1.593 0.717 0.526 0.818 0.455 CB 0.785 12 residues pruned to eliminate duplicates Z: 6 2.738 1.447 0.392 0.307 0.600 0.600 N 1.255 Z: 16 14.462 1.622 0.567 0.815 1.000 0.800 CB 1.118 16 residues pruned to eliminate duplicates Z: 19 7.074 1.633 0.357 0.360 0.667 0.389 CB 1.312 32 residues pruned to eliminate duplicates Z: 8 2.134 1.287 0.379 0.404 0.857 0.571 N 0.586 Z: 20 7.264 1.724 0.577 0.325 0.789 0.474 CB 0.941 20 residues pruned to eliminate duplicates Z: 13 12.275 1.632 0.788 0.726 0.833 0.750 CB 1.189 13 residues pruned to eliminate duplicates Z: 6 3.304 1.569 0.000 0.702 1.000 1.000 CB 0.784 Z: 8 6.742 1.844 0.311 0.840 1.000 0.857 CB 0.786 8 residues pruned to eliminate duplicates Z: 7 2.882 1.716 0.078 0.628 0.667 0.667 CB 0.846 7 residues pruned to eliminate duplicates Z: 8 4.849 1.464 0.235 0.652 1.000 0.714 CB 0.880 Z: 17 13.067 1.812 0.715 0.660 0.812 0.625 CB 1.116 23 residues pruned to eliminate duplicates Z: 19 3.641 1.555 0.335 0.178 0.500 0.167 O 1.220 Z: 8 3.165 1.577 0.155 0.220 0.714 0.286 CB 1.277 6 1.744 1.272 0.593 0.332 0.600 0.400 CB 0.771 ? Z: 7 2.297 1.653 0.331 0.188 0.667 0.167 CB 0.930 Z: 7 4.378 1.421 0.775 0.341 1.000 0.500 CB 0.842 Z: 13 9.196 1.746 0.456 0.586 0.917 0.583 CB 1.049 13 residues pruned to eliminate duplicates Z: 11 2.844 1.462 0.035 0.275 0.800 0.500 CB 0.959 Z: 10 3.705 1.516 0.683 0.366 0.667 0.333 CB 0.839 Z: 12 5.280 1.669 0.294 0.865 1.000 0.727 CB 0.540 11 residues pruned to eliminate duplicates Z: 13 9.015 1.726 0.259 0.827 0.917 0.500 CB 0.984 13 residues pruned to eliminate duplicates Z: 10 3.069 1.510 0.470 0.235 0.667 0.333 N 0.940 Z: 7 5.135 1.760 0.836 0.794 0.667 0.500 CB 0.752 Z: 6 2.031 1.319 0.710 0.299 0.800 0.600 CB 0.630 Z: 6 3.355 1.579 -0.075 0.665 1.000 0.400 CB 0.882 Z: 21 4.940 1.449 0.255 0.174 0.800 0.350 CB 1.125 Z: 6 2.414 1.626 0.221 0.869 1.000 1.000 CB 0.397 6 1.295 1.400 0.049 0.436 0.600 0.600 CB 0.702 ? Z: 11 6.721 1.395 0.451 0.810 0.800 0.700 CB 1.002 11 residues pruned to eliminate duplicates Z: 9 4.264 1.829 0.168 0.444 1.000 0.625 CB 0.748 9 residues pruned to eliminate duplicates Z: 9 4.556 1.667 0.255 0.568 0.750 0.625 CB 0.961 9 residues pruned to eliminate duplicates Z: 8 4.845 1.674 0.019 0.460 0.857 0.571 CB 1.304 8 residues pruned to eliminate duplicates Z: 11 5.882 1.467 0.676 0.739 0.600 0.400 CB 1.018 6 residues pruned to eliminate duplicates Z: 6 4.379 1.572 0.120 0.546 0.800 0.600 CB 1.330 6 residues pruned to eliminate duplicates Z: 9 6.392 1.462 0.542 0.693 0.875 0.500 CB 0.961 Z: 7 3.258 1.566 0.235 0.291 0.667 0.333 CB 1.305 Z: 6 7.720 1.765 0.647 0.844 1.000 0.600 CB 0.883 6 residues pruned to eliminate duplicates Z: 12 3.749 1.371 0.079 0.386 0.818 0.273 CB 1.055 10 residues pruned to eliminate duplicates Z: 15 11.443 1.763 0.494 0.761 0.929 0.714 CB 0.992 12 residues pruned to eliminate duplicates Z: 14 6.775 1.613 0.029 0.752 1.000 0.846 CB 0.905 9 residues pruned to eliminate duplicates Z: 8 2.080 1.436 -0.039 0.338 0.714 0.429 CB 0.953 7 1.129 1.486 0.094 0.337 0.500 0.500 CB 0.677 ? Z: 15 16.013 1.758 0.961 0.916 0.929 0.857 CB 0.944 20 residues pruned to eliminate duplicates Z: 11 2.002 1.466 0.357 0.204 0.500 0.300 CB 0.904 Z: 12 8.453 1.547 0.380 0.730 0.909 0.818 CB 1.068 12 residues pruned to eliminate duplicates Z: 6 4.703 1.448 0.853 0.779 0.800 0.600 CB 0.766 Z: 7 2.438 1.376 0.090 0.445 0.667 0.500 CB 1.054 Z: 6 4.693 1.542 0.773 0.842 0.800 0.800 CB 0.715 6 residues pruned to eliminate duplicates Z: 6 7.237 1.572 0.496 0.733 1.000 0.600 O 1.115 Z: 6 3.140 1.406 0.410 0.465 1.000 0.600 CB 0.734 Z: 6 3.739 1.487 0.323 0.558 1.000 0.600 CB 0.804 Z: 16 14.502 1.681 0.497 0.757 0.933 0.733 CB 1.269 16 residues pruned to eliminate duplicates Z: 7 2.037 1.612 0.752 0.164 0.500 0.167 CB 0.887 7 residues pruned to eliminate duplicates Z: 20 10.645 1.762 0.225 0.545 0.737 0.474 CB 1.469 20 residues pruned to eliminate duplicates Z: 12 12.694 1.650 0.620 0.881 1.000 0.545 CB 1.037 10 residues pruned to eliminate duplicates Z: 7 4.393 1.285 0.925 0.742 0.833 0.667 CB 0.700 6 1.790 1.344 0.045 0.290 1.000 0.600 CB 0.722 ? Z: 6 3.770 1.300 -0.061 0.721 1.000 0.400 CB 1.131 Z: 14 12.293 1.505 0.492 0.853 1.000 0.769 CB 1.122 14 residues pruned to eliminate duplicates Z: 7 4.542 1.614 0.283 0.724 1.000 0.833 CB 0.731 7 residues pruned to eliminate duplicates Z: 7 2.212 1.119 0.449 0.234 0.833 0.500 N 0.910 Z: 6 12.317 1.819 0.659 0.874 1.000 1.000 CB 1.329 6 residues pruned to eliminate duplicates Z: 6 7.194 1.812 0.316 0.859 1.000 1.000 CB 0.993 6 residues pruned to eliminate duplicates Z: 7 6.514 1.776 0.152 0.720 1.000 0.833 CB 1.065 15 residues pruned to eliminate duplicates Z: 11 6.233 1.569 0.311 0.737 0.900 0.800 CB 0.861 8 residues pruned to eliminate duplicates Z: 6 2.587 1.494 0.178 0.318 0.800 0.800 CB 1.005 Z: 12 7.246 1.614 0.253 0.756 0.909 0.636 CB 0.947 12 residues pruned to eliminate duplicates Z: 7 2.957 1.269 0.021 0.527 1.000 0.500 O 0.907 Z: 7 4.327 1.474 0.428 0.768 1.000 0.667 CB 0.661 7 residues pruned to eliminate duplicates Z: 8 4.817 1.687 -0.155 0.796 0.857 0.429 CB 1.149 8 residues pruned to eliminate duplicates Z: 11 3.208 1.418 0.449 0.168 0.700 0.100 CB 1.056 Z: 8 3.155 1.455 0.159 0.341 0.857 0.286 CB 0.981 Z: 7 3.166 1.501 0.392 0.463 0.833 0.167 CB 0.771 6 residues pruned to eliminate duplicates Z: 8 2.758 1.348 0.409 0.399 0.571 0.286 N 1.069 Z: 10 5.154 1.529 0.376 0.309 0.778 0.556 N 1.298 Z: 13 9.074 1.419 0.502 0.889 1.000 1.000 CB 0.884 6 residues pruned to eliminate duplicates Z: 7 6.209 1.598 0.460 0.703 0.833 0.500 CB 1.084 7 residues pruned to eliminate duplicates Z: 9 8.061 1.746 0.734 0.898 1.000 1.000 CB 0.674 8 residues pruned to eliminate duplicates Z: 6 6.096 1.658 0.664 0.888 1.000 0.800 CB 0.712 Z: 8 3.470 1.614 0.266 0.413 0.857 0.571 CB 0.820 Z: 11 7.063 1.540 0.566 0.505 0.800 0.600 CB 1.152 Z: 6 2.911 1.584 0.963 0.601 0.800 0.600 CB 0.475 6 residues pruned to eliminate duplicates Z: 9 8.892 1.857 1.001 0.904 1.000 0.875 CB 0.603 Z: 8 4.967 1.581 -0.046 0.590 1.000 0.714 CB 1.141 5 residues pruned to eliminate duplicates Z: 8 2.459 1.679 1.019 0.438 0.857 0.429 CB 0.341 7 1.426 1.454 -0.068 0.283 0.833 0.500 CB 0.659 ? Z: 9 3.449 1.428 0.425 0.236 0.750 0.250 CB 1.086 9 residues pruned to eliminate duplicates Z: 14 5.265 1.587 0.437 0.367 0.769 0.615 CB 0.960 6 residues pruned to eliminate duplicates Z: 6 3.126 1.394 0.241 0.729 1.000 0.600 CB 0.657 6 residues pruned to eliminate duplicates Z: 8 4.282 1.295 0.417 0.531 0.857 0.714 CB 0.998 Z: 8 2.306 1.493 0.288 0.229 0.714 0.429 CB 0.870 Z: 9 2.551 1.483 0.105 0.234 0.625 0.500 N 1.201 Z: 8 2.292 1.499 0.284 0.311 0.714 0.286 CB 0.777 8 residues pruned to eliminate duplicates Z: 18 8.540 1.723 0.422 0.410 0.824 0.471 CB 1.128 18 residues pruned to eliminate duplicates Z: 9 3.020 1.520 0.332 0.352 0.875 0.375 CB 0.707 9 residues pruned to eliminate duplicates Z: 6 2.458 1.328 0.420 0.496 0.800 0.600 CB 0.732 Z: 7 2.306 1.487 0.437 0.327 0.667 0.500 CB 0.799 7 residues pruned to eliminate duplicates Z: 8 9.226 1.995 0.738 0.873 1.000 0.714 CB 0.732 Z: 8 4.164 1.508 0.478 0.453 0.857 0.571 CB 0.864 6 residues pruned to eliminate duplicates Z: 14 11.611 1.686 0.506 0.853 0.923 0.846 CB 1.016 14 residues pruned to eliminate duplicates Z: 6 2.096 1.417 0.014 0.296 0.800 0.600 O 1.026 7 1.505 1.518 -0.012 0.270 0.667 0.500 CB 0.798 ? Z: 6 5.402 1.463 0.182 0.584 1.000 0.800 N 1.288 Z: 6 2.554 1.372 0.731 0.611 0.800 0.400 CB 0.541 Z: 10 2.146 1.416 -0.004 0.149 0.667 0.111 N 1.173 10 residues pruned to eliminate duplicates Z: 6 3.648 1.721 0.266 0.301 0.800 0.600 CB 1.169 Z: 10 6.921 1.570 0.259 0.484 1.000 0.556 CB 1.186 Z: 11 5.857 1.541 0.565 0.432 0.700 0.500 N 1.178 11 residues pruned to eliminate duplicates Z: 6 2.591 1.363 0.378 0.241 0.800 0.400 CB 1.041 Z: 6 9.381 1.563 0.620 0.870 1.000 0.800 CB 1.210 Z: 7 3.312 1.698 0.062 0.233 1.000 0.500 CB 1.023 Z: 9 3.055 1.362 0.253 0.331 0.750 0.250 N 1.015 Using tripeptides from previous cycle as seeds Z: 9 3.865 1.577 0.275 0.401 0.750 0.500 N 1.005 9 residues pruned to eliminate duplicates Z: 11 4.498 1.533 0.508 0.249 0.800 0.200 N 1.026 8 residues pruned to eliminate duplicates Z: 6 2.123 1.766 0.051 0.334 0.600 0.200 CB 1.023 6 residues pruned to eliminate duplicates Z: 7 6.141 1.940 0.058 0.286 1.000 0.500 CB 1.553 11 residues pruned to eliminate duplicates Z: 16 15.171 1.794 0.449 0.802 0.867 0.800 CB 1.335 16 residues pruned to eliminate duplicates Z: 15 17.123 1.954 0.658 0.770 0.929 0.643 CB 1.198 15 residues pruned to eliminate duplicates Z: 14 15.019 1.789 0.628 0.881 1.000 0.923 CB 1.036 14 residues pruned to eliminate duplicates Z: 14 13.578 1.881 0.440 0.753 1.000 0.923 CB 1.109 14 residues pruned to eliminate duplicates Z: 13 8.492 1.819 0.350 0.590 0.833 0.667 CB 1.100 13 residues pruned to eliminate duplicates Z: 12 19.185 2.002 0.577 0.898 1.000 1.000 CB 1.310 12 residues pruned to eliminate duplicates Z: 14 16.524 1.952 0.506 0.811 0.923 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 14 15.633 1.914 0.540 0.822 0.923 0.769 CB 1.205 14 residues pruned to eliminate duplicates Z: 14 14.308 1.988 0.232 0.763 0.923 0.692 CB 1.389 14 residues pruned to eliminate duplicates Z: 16 12.456 1.941 0.303 0.734 0.867 0.800 CB 1.189 15 residues pruned to eliminate duplicates Z: 15 15.905 1.840 0.553 0.870 0.929 0.786 CB 1.170 17 residues pruned to eliminate duplicates Z: 14 20.794 1.910 0.640 0.895 1.000 1.000 CB 1.319 14 residues pruned to eliminate duplicates Z: 16 16.469 1.848 0.620 0.786 0.933 0.667 CB 1.183 15 residues pruned to eliminate duplicates Z: 10 9.022 1.794 0.548 0.878 1.000 0.667 CB 0.786 9 residues pruned to eliminate duplicates Z: 9 10.098 1.902 0.374 0.885 1.000 0.750 CB 0.987 10 residues pruned to eliminate duplicates Z: 10 6.588 1.739 0.541 0.888 1.000 0.889 CB 0.590 10 residues pruned to eliminate duplicates Z: 11 8.521 1.733 0.458 0.572 0.900 0.700 CB 1.105 11 residues pruned to eliminate duplicates Z: 17 7.885 1.707 0.375 0.581 0.812 0.500 CB 0.957 13 residues pruned to eliminate duplicates Z: 6 3.601 1.398 0.407 0.432 1.000 1.000 N 0.878 6 residues pruned to eliminate duplicates Z: 23 10.972 1.829 0.243 0.566 0.773 0.500 CB 1.249 23 residues pruned to eliminate duplicates Z: 25 17.946 1.914 0.493 0.649 0.833 0.542 CB 1.339 21 residues pruned to eliminate duplicates Z: 7 3.454 1.314 0.821 0.369 0.667 0.333 N 1.017 Z: 10 4.847 1.314 0.208 0.545 1.000 0.556 CB 0.974 6 residues pruned to eliminate duplicates Z: 7 5.118 1.465 0.296 0.603 0.833 0.167 N 1.198 Z: 6 9.878 1.861 0.997 0.298 1.000 0.600 O 1.490 6 residues pruned to eliminate duplicates Z: 18 16.904 1.939 0.792 0.469 0.824 0.412 CB 1.478 18 residues pruned to eliminate duplicates Z: 11 12.549 1.865 0.712 0.527 0.900 0.600 O 1.344 11 residues pruned to eliminate duplicates Z: 7 5.443 1.832 0.703 0.473 0.667 0.500 CB 1.098 Z: 7 3.115 1.473 0.388 0.315 0.667 0.500 N 1.145 Z: 10 8.926 1.919 0.399 0.696 0.889 0.778 CB 1.042 9 residues pruned to eliminate duplicates Z: 9 7.274 1.833 0.159 0.753 1.000 0.875 CB 0.966 9 residues pruned to eliminate duplicates Z: 8 10.226 1.844 0.380 0.884 1.000 1.000 CB 1.097 8 residues pruned to eliminate duplicates Z: 13 8.849 1.856 0.414 0.514 0.833 0.333 CB 1.152 17 residues pruned to eliminate duplicates Z: 9 11.282 1.797 0.404 0.837 1.000 0.875 CB 1.183 9 residues pruned to eliminate duplicates Z: 9 7.228 1.868 0.313 0.672 0.750 0.625 CB 1.185 8 residues pruned to eliminate duplicates Z: 9 14.221 1.872 0.527 0.878 1.000 0.750 CB 1.276 13 residues pruned to eliminate duplicates Z: 8 13.217 1.899 0.533 0.849 1.000 0.857 CB 1.272 8 residues pruned to eliminate duplicates Z: 10 7.831 1.518 0.472 0.781 1.000 0.556 CB 0.911 10 residues pruned to eliminate duplicates Z: 11 8.765 1.633 0.471 0.678 0.900 0.700 CB 1.088 10 residues pruned to eliminate duplicates Z: 9 13.234 1.777 0.436 0.882 1.000 0.875 CB 1.327 9 residues pruned to eliminate duplicates Z: 9 9.528 1.747 0.332 0.747 0.875 0.625 CB 1.327 9 residues pruned to eliminate duplicates Z: 10 6.300 1.730 0.222 0.474 0.778 0.444 O 1.312 10 residues pruned to eliminate duplicates Z: 19 6.322 1.571 0.630 0.321 0.611 0.333 CB 1.160 8 residues pruned to eliminate duplicates Z: 7 10.844 1.838 0.711 0.794 0.833 0.333 CB 1.306 7 residues pruned to eliminate duplicates Z: 8 7.737 1.730 0.425 0.614 0.857 0.571 CB 1.242 8 residues pruned to eliminate duplicates Z: 9 13.434 1.776 0.675 0.880 1.000 1.000 CB 1.157 28 residues pruned to eliminate duplicates Z: 10 9.400 1.647 0.500 0.853 1.000 0.778 CB 0.937 10 residues pruned to eliminate duplicates Z: 8 10.046 1.754 0.682 0.698 1.000 0.714 CB 1.075 8 residues pruned to eliminate duplicates Z: 10 8.785 1.649 0.323 0.777 0.889 0.778 CB 1.183 10 residues pruned to eliminate duplicates Z: 8 10.856 1.816 0.462 0.889 1.000 1.000 CB 1.113 8 residues pruned to eliminate duplicates Z: 9 11.056 1.767 0.430 0.885 1.000 0.875 CB 1.117 9 residues pruned to eliminate duplicates Z: 9 10.384 1.804 0.376 0.880 1.000 0.875 CB 1.072 9 residues pruned to eliminate duplicates Z: 7 5.732 1.482 0.369 0.729 0.833 0.500 CB 1.126 7 residues pruned to eliminate duplicates 6 1.971 1.537 0.649 0.510 0.600 0.400 CB 0.574 ? Z: 6 2.259 1.334 0.139 0.464 0.600 0.400 O 1.149 6 residues pruned to eliminate duplicates Z: 14 5.200 1.387 0.147 0.598 0.846 0.462 CB 0.975 14 residues pruned to eliminate duplicates Z: 10 4.601 1.426 0.306 0.501 0.778 0.444 CB 1.058 10 residues pruned to eliminate duplicates Z: 7 4.736 1.496 0.403 0.531 0.833 0.667 N 1.073 7 residues pruned to eliminate duplicates Z: 9 4.603 1.469 0.332 0.572 0.750 0.250 O 1.035 9 residues pruned to eliminate duplicates Z: 12 5.682 1.469 0.254 0.525 0.818 0.364 CB 1.108 12 residues pruned to eliminate duplicates Z: 8 5.280 1.443 0.222 0.556 0.857 0.714 N 1.251 6 residues pruned to eliminate duplicates Z: 13 8.793 1.379 0.509 0.857 1.000 0.750 CB 0.899 14 residues pruned to eliminate duplicates Z: 9 6.874 1.455 0.259 0.626 1.000 0.625 CB 1.178 8 residues pruned to eliminate duplicates Z: 7 4.691 1.471 0.180 0.646 0.833 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 16 7.309 1.615 0.307 0.396 0.800 0.467 CB 1.246 16 residues pruned to eliminate duplicates Z: 12 8.366 1.529 0.455 0.517 0.909 0.545 CB 1.226 10 residues pruned to eliminate duplicates Z: 10 10.728 1.628 0.415 0.848 1.000 0.778 O 1.152 10 residues pruned to eliminate duplicates Z: 12 6.769 1.615 0.149 0.497 0.909 0.545 CB 1.214 12 residues pruned to eliminate duplicates Z: 12 9.025 1.698 0.370 0.623 0.818 0.727 CB 1.274 12 residues pruned to eliminate duplicates Z: 21 9.894 1.701 0.294 0.528 0.950 0.600 CB 1.029 24 residues pruned to eliminate duplicates Z: 11 9.347 1.592 0.589 0.763 0.900 0.600 CB 1.028 11 residues pruned to eliminate duplicates Z: 12 8.808 1.670 0.316 0.692 0.818 0.636 CB 1.240 12 residues pruned to eliminate duplicates Z: 14 8.735 1.577 0.194 0.726 0.923 0.769 CB 1.137 14 residues pruned to eliminate duplicates Z: 13 8.472 1.614 0.179 0.762 0.917 0.833 CB 1.111 13 residues pruned to eliminate duplicates Z: 12 3.657 1.794 -0.015 0.258 0.636 0.364 CB 1.294 12 residues pruned to eliminate duplicates Z: 13 6.487 1.738 0.071 0.468 0.917 0.583 CB 1.133 16 residues pruned to eliminate duplicates Z: 6 3.242 1.610 0.495 0.555 0.600 0.400 N 0.951 Z: 8 6.141 1.510 0.717 0.799 0.714 0.429 N 0.965 14 residues pruned to eliminate duplicates Z: 8 5.181 1.486 0.477 0.739 0.714 0.571 CB 1.008 8 residues pruned to eliminate duplicates Z: 9 8.158 1.505 0.820 0.785 0.875 0.500 CB 0.936 10 residues pruned to eliminate duplicates Z: 9 7.250 1.464 0.373 0.717 1.000 0.625 N 1.048 7 residues pruned to eliminate duplicates Z: 11 5.803 1.390 0.583 0.732 0.700 0.400 CB 0.967 10 residues pruned to eliminate duplicates Z: 11 7.875 1.495 0.385 0.718 0.900 0.500 CB 1.097 11 residues pruned to eliminate duplicates Z: 6 4.089 1.322 0.573 0.382 1.000 0.600 CB 0.997 6 residues pruned to eliminate duplicates Z: 10 2.855 1.404 0.192 0.421 0.556 0.000 N 1.111 7 residues pruned to eliminate duplicates Z: 10 7.525 1.454 0.576 0.568 0.889 0.000 CB 1.154 21 residues pruned to eliminate duplicates Z: 6 9.155 1.647 0.706 0.790 1.000 0.600 O 1.130 5 residues pruned to eliminate duplicates Z: 6 4.810 1.602 0.208 0.579 1.000 0.600 O 1.030 5 residues pruned to eliminate duplicates Z: 6 7.738 1.759 0.378 0.638 1.000 0.400 CB 1.254 7 residues pruned to eliminate duplicates Z: 15 4.188 1.452 0.251 0.617 0.714 0.429 CB 0.772 7 residues pruned to eliminate duplicates Z: 6 4.912 1.663 0.226 0.694 1.000 0.600 CB 0.902 7 residues pruned to eliminate duplicates Z: 9 5.483 1.535 0.548 0.642 0.875 0.500 CB 0.816 9 residues pruned to eliminate duplicates Z: 13 4.324 1.658 0.172 0.256 0.667 0.417 CB 1.275 9 residues pruned to eliminate duplicates Z: 10 6.255 1.471 0.854 0.719 0.889 0.667 CB 0.706 11 residues pruned to eliminate duplicates Z: 8 3.749 1.588 0.146 0.620 0.857 0.571 CB 0.811 8 residues pruned to eliminate duplicates Z: 15 6.389 1.690 0.308 0.421 0.714 0.286 CB 1.174 12 residues pruned to eliminate duplicates Z: 11 5.792 1.569 0.855 0.605 0.600 0.400 CB 0.949 11 residues pruned to eliminate duplicates Z: 7 11.563 1.880 0.434 0.774 1.000 0.333 CB 1.374 14 residues pruned to eliminate duplicates Z: 8 9.450 1.840 0.464 0.583 0.857 0.714 CB 1.428 8 residues pruned to eliminate duplicates Z: 9 9.812 1.880 0.474 0.607 0.875 0.500 N 1.293 9 residues pruned to eliminate duplicates Z: 15 4.854 1.672 0.286 0.481 0.643 0.286 CB 0.956 10 residues pruned to eliminate duplicates Z: 8 5.826 1.706 0.445 0.549 0.857 0.714 N 0.994 Z: 12 5.123 1.566 0.257 0.651 0.727 0.455 CB 0.937 12 residues pruned to eliminate duplicates Z: 11 7.159 1.801 0.409 0.352 0.900 0.600 CB 1.163 11 residues pruned to eliminate duplicates Z: 17 8.836 1.746 0.395 0.664 0.812 0.438 CB 0.959 14 residues pruned to eliminate duplicates Z: 10 9.248 1.892 0.583 0.488 0.778 0.556 CB 1.340 10 residues pruned to eliminate duplicates Z: 7 13.556 1.900 0.586 0.858 0.833 0.500 N 1.623 8 residues pruned to eliminate duplicates Z: 12 9.031 1.727 0.455 0.590 0.818 0.455 CB 1.216 7 residues pruned to eliminate duplicates Z: 9 11.215 1.852 0.461 0.696 0.875 0.500 CB 1.401 9 residues pruned to eliminate duplicates Z: 21 12.367 1.797 0.649 0.436 0.700 0.400 CB 1.424 34 residues pruned to eliminate duplicates Z: 9 14.075 1.918 0.629 0.812 0.875 0.625 CB 1.387 9 residues pruned to eliminate duplicates Z: 20 10.987 1.760 0.407 0.517 0.842 0.526 CB 1.188 20 residues pruned to eliminate duplicates 7 1.985 1.506 0.190 0.232 0.667 0.333 N 0.926 ? Z: 18 8.632 1.693 0.307 0.414 0.824 0.471 CB 1.257 10 residues pruned to eliminate duplicates Z: 9 6.581 1.297 0.710 0.722 1.000 0.500 CB 0.859 9 residues pruned to eliminate duplicates Z: 17 8.944 1.642 0.557 0.433 0.812 0.250 N 1.155 17 residues pruned to eliminate duplicates Z: 13 7.057 1.636 0.565 0.382 0.750 0.417 N 1.203 13 residues pruned to eliminate duplicates Z: 15 12.067 1.681 0.469 0.633 0.929 0.714 CB 1.241 15 residues pruned to eliminate duplicates Z: 10 9.619 1.786 0.208 0.741 0.889 0.889 CB 1.347 10 residues pruned to eliminate duplicates Z: 17 9.811 1.734 0.243 0.651 0.812 0.438 CB 1.217 17 residues pruned to eliminate duplicates Z: 11 7.461 1.745 0.441 0.559 0.800 0.500 CB 1.108 12 residues pruned to eliminate duplicates Z: 14 11.944 1.662 0.467 0.843 0.846 0.692 CB 1.196 14 residues pruned to eliminate duplicates Z: 13 12.806 1.686 0.524 0.624 0.917 0.750 CB 1.397 Z: 14 16.695 1.719 0.562 0.819 1.000 0.692 CB 1.307 28 residues pruned to eliminate duplicates Z: 18 13.091 1.627 0.383 0.823 0.882 0.765 CB 1.209 18 residues pruned to eliminate duplicates Z: 14 13.335 1.744 0.596 0.679 0.846 0.846 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 12.137 1.680 0.493 0.661 1.000 0.750 CB 1.203 13 residues pruned to eliminate duplicates Z: 9 9.627 1.658 0.555 0.785 1.000 0.750 O 1.028 9 residues pruned to eliminate duplicates Z: 13 10.117 1.685 0.428 0.516 0.917 0.750 N 1.304 13 residues pruned to eliminate duplicates Z: 14 9.919 1.550 0.924 0.480 0.769 0.538 CB 1.224 11 residues pruned to eliminate duplicates Z: 11 9.330 1.751 0.226 0.884 1.000 0.800 CB 0.993 11 residues pruned to eliminate duplicates Z: 10 10.311 1.793 0.560 0.650 0.889 0.667 N 1.202 10 residues pruned to eliminate duplicates Z: 13 11.860 1.738 0.406 0.662 1.000 0.750 CB 1.206 17 residues pruned to eliminate duplicates Z: 14 15.056 1.839 0.477 0.929 1.000 0.923 CB 1.076 14 residues pruned to eliminate duplicates Z: 17 10.999 1.693 0.460 0.595 0.750 0.562 CB 1.355 14 residues pruned to eliminate duplicates Z: 15 16.647 1.839 0.529 0.871 1.000 0.857 CB 1.153 15 residues pruned to eliminate duplicates Z: 17 19.829 1.831 0.761 0.873 1.000 0.812 CB 1.120 15 residues pruned to eliminate duplicates Z: 16 15.572 1.761 0.903 0.852 0.933 0.667 CB 0.951 16 residues pruned to eliminate duplicates Z: 8 17.612 1.893 1.123 0.773 1.000 0.714 CB 1.301 8 residues pruned to eliminate duplicates Z: 8 15.528 1.825 1.092 0.765 1.000 0.286 CB 1.216 8 residues pruned to eliminate duplicates Z: 10 10.464 1.631 0.950 0.626 0.778 0.444 CB 1.253 10 residues pruned to eliminate duplicates Z: 19 4.435 1.431 0.355 0.271 0.611 0.278 N 1.144 14 residues pruned to eliminate duplicates Z: 7 4.123 1.601 0.407 0.403 0.667 0.500 N 1.242 11 residues pruned to eliminate duplicates Z: 6 2.152 1.421 0.156 0.301 0.800 0.200 O 0.915 6 residues pruned to eliminate duplicates Z: 17 6.956 1.649 0.259 0.439 0.688 0.500 O 1.297 28 residues pruned to eliminate duplicates Z: 18 8.361 1.600 0.350 0.401 0.882 0.353 CB 1.181 Z: 11 9.633 1.701 0.338 0.848 0.900 0.700 CB 1.103 32 residues pruned to eliminate duplicates Z: 10 6.129 1.692 0.362 0.753 0.889 0.667 CB 0.796 10 residues pruned to eliminate duplicates Z: 17 9.260 1.664 0.529 0.463 0.812 0.625 CB 1.163 17 residues pruned to eliminate duplicates Z: 19 13.839 1.696 0.530 0.525 0.889 0.444 CB 1.380 19 residues pruned to eliminate duplicates Z: 21 10.610 1.696 0.471 0.434 0.800 0.400 CB 1.273 21 residues pruned to eliminate duplicates Z: 8 9.640 1.639 0.806 0.691 0.857 0.714 CB 1.206 8 residues pruned to eliminate duplicates Z: 10 8.715 1.780 0.395 0.742 0.889 0.778 CB 1.059 10 residues pruned to eliminate duplicates Z: 6 7.208 1.750 0.379 0.602 1.000 0.400 CB 1.211 6 residues pruned to eliminate duplicates Z: 12 11.722 1.750 0.503 0.730 0.909 0.727 CB 1.201 12 residues pruned to eliminate duplicates Z: 8 6.076 1.706 0.147 0.578 0.857 0.571 CB 1.270 8 residues pruned to eliminate duplicates Z: 21 9.986 1.682 0.306 0.514 0.850 0.450 CB 1.179 21 residues pruned to eliminate duplicates Z: 19 7.461 1.677 0.456 0.355 0.667 0.389 CB 1.263 19 residues pruned to eliminate duplicates Z: 13 5.711 1.714 0.159 0.529 0.667 0.417 CB 1.210 Z: 13 15.932 1.628 0.619 0.840 1.000 0.833 N 1.303 8 residues pruned to eliminate duplicates Z: 12 14.104 1.623 0.585 0.874 0.909 0.727 N 1.323 12 residues pruned to eliminate duplicates Z: 10 12.796 1.736 0.794 0.659 0.889 0.556 N 1.329 10 residues pruned to eliminate duplicates Z: 11 10.425 1.729 0.874 0.496 0.800 0.500 CB 1.277 11 residues pruned to eliminate duplicates Z: 11 12.523 1.774 0.695 0.713 0.800 0.700 CB 1.357 11 residues pruned to eliminate duplicates Z: 10 11.440 1.802 0.614 0.616 0.778 0.556 CB 1.511 10 residues pruned to eliminate duplicates Z: 7 5.834 1.724 0.726 0.480 0.667 0.667 CB 1.225 7 residues pruned to eliminate duplicates Z: 9 4.189 1.590 0.382 0.508 0.750 0.625 N 0.891 9 residues pruned to eliminate duplicates Z: 12 9.248 1.684 0.475 0.614 0.818 0.455 CB 1.231 12 residues pruned to eliminate duplicates Z: 7 3.548 1.479 0.836 0.616 0.500 0.500 CB 0.956 7 residues pruned to eliminate duplicates Z: 8 6.330 1.461 0.703 0.664 0.857 0.429 CB 0.965 9 residues pruned to eliminate duplicates Z: 7 6.379 1.456 0.654 0.774 1.000 0.500 CB 0.849 7 residues pruned to eliminate duplicates Z: 7 5.278 1.500 0.472 0.746 1.000 0.667 CB 0.783 7 residues pruned to eliminate duplicates Z: 7 5.404 1.500 0.703 0.796 0.833 0.667 CB 0.800 6 residues pruned to eliminate duplicates Z: 10 5.303 1.406 0.216 0.788 0.889 0.778 CB 0.903 11 residues pruned to eliminate duplicates Z: 10 5.116 1.415 0.255 0.780 1.000 0.667 CB 0.751 11 residues pruned to eliminate duplicates Z: 11 6.737 1.404 0.286 0.824 1.000 0.700 CB 0.891 10 residues pruned to eliminate duplicates Z: 10 7.094 1.418 0.399 0.787 1.000 0.778 CB 0.926 10 residues pruned to eliminate duplicates Z: 9 5.833 1.398 0.122 0.830 1.000 0.750 CB 0.989 9 residues pruned to eliminate duplicates Z: 10 4.478 1.487 0.369 0.546 0.778 0.556 CB 0.902 10 residues pruned to eliminate duplicates Z: 6 2.478 1.331 0.137 0.425 0.800 0.400 CB 0.990 6 residues pruned to eliminate duplicates Z: 6 2.153 1.305 0.276 0.252 0.800 0.600 CB 0.961 6 residues pruned to eliminate duplicates Z: 12 4.249 1.293 0.230 0.497 0.727 0.273 O 1.111 12 residues pruned to eliminate duplicates Z: 12 3.527 1.317 0.408 0.343 0.727 0.182 N 0.935 12 residues pruned to eliminate duplicates Z: 11 7.971 1.708 0.432 0.468 0.800 0.400 CB 1.330 9 residues pruned to eliminate duplicates Z: 9 6.457 1.781 0.512 0.681 0.875 0.625 CB 0.821 9 residues pruned to eliminate duplicates Z: 9 8.819 1.760 0.622 0.716 0.875 0.500 CB 1.026 10 residues pruned to eliminate duplicates Z: 6 3.672 1.838 0.055 0.832 0.800 0.800 CB 0.795 6 residues pruned to eliminate duplicates Z: 10 7.207 1.736 0.235 0.815 0.889 0.889 CB 0.959 10 residues pruned to eliminate duplicates Z: 8 6.688 1.777 0.251 0.864 1.000 1.000 CB 0.833 7 residues pruned to eliminate duplicates Z: 10 6.669 1.681 0.180 0.805 0.889 0.667 O 0.966 10 residues pruned to eliminate duplicates Z: 11 8.918 1.753 0.547 0.792 0.900 0.600 CB 0.894 11 residues pruned to eliminate duplicates Z: 12 13.330 1.879 0.499 0.684 0.909 0.727 CB 1.326 19 residues pruned to eliminate duplicates Z: 10 13.967 2.064 0.599 0.778 1.000 0.889 CB 1.104 12 residues pruned to eliminate duplicates Z: 8 12.902 2.144 0.326 0.814 1.000 0.857 CB 1.306 8 residues pruned to eliminate duplicates Z: 11 11.321 2.096 0.479 0.535 0.800 0.500 CB 1.395 11 residues pruned to eliminate duplicates Z: 17 13.020 1.900 0.688 0.482 0.875 0.438 CB 1.181 16 residues pruned to eliminate duplicates Z: 9 16.298 2.035 0.746 0.805 1.000 0.750 CB 1.242 9 residues pruned to eliminate duplicates Z: 8 13.474 2.090 0.433 0.762 1.000 0.714 CB 1.346 8 residues pruned to eliminate duplicates Z: 13 10.035 2.033 0.353 0.475 0.833 0.417 CB 1.297 13 residues pruned to eliminate duplicates 9 1.779 1.785 0.361 0.066 0.375 0.000 CB 1.220 ? Z: 14 8.332 1.785 0.510 0.489 0.692 0.385 CB 1.252 12 residues pruned to eliminate duplicates Z: 11 10.055 1.696 0.511 0.770 0.900 0.900 CB 1.085 11 residues pruned to eliminate duplicates Z: 12 8.089 1.807 0.667 0.471 0.727 0.364 CB 1.147 12 residues pruned to eliminate duplicates Z: 11 3.861 1.624 0.351 0.420 0.500 0.100 N 1.210 11 residues pruned to eliminate duplicates Z: 27 10.650 1.828 0.320 0.386 0.731 0.308 CB 1.336 27 residues pruned to eliminate duplicates Z: 10 4.439 1.658 0.583 0.335 0.556 0.111 N 1.216 10 residues pruned to eliminate duplicates Z: 19 4.744 1.697 0.152 0.373 0.556 0.222 CB 1.179 19 residues pruned to eliminate duplicates Z: 19 9.645 1.706 0.519 0.654 0.778 0.556 CB 0.977 19 residues pruned to eliminate duplicates Z: 11 9.449 1.868 0.364 0.627 0.700 0.400 CB 1.487 11 residues pruned to eliminate duplicates Z: 13 12.527 1.839 0.584 0.637 0.917 0.333 CB 1.192 12 residues pruned to eliminate duplicates Z: 7 6.411 1.656 0.344 0.645 0.833 0.167 N 1.232 7 residues pruned to eliminate duplicates Z: 15 15.243 1.857 0.626 0.571 0.929 0.429 CB 1.357 17 residues pruned to eliminate duplicates Z: 11 12.046 1.684 0.470 0.754 1.000 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 21 10.444 1.775 0.432 0.565 0.800 0.500 CB 1.079 21 residues pruned to eliminate duplicates Z: 12 8.417 1.808 0.383 0.537 0.727 0.273 CB 1.345 12 residues pruned to eliminate duplicates Z: 15 9.151 1.849 0.146 0.535 0.857 0.357 CB 1.301 15 residues pruned to eliminate duplicates Z: 24 13.405 1.733 0.562 0.470 0.870 0.304 CB 1.224 15 residues pruned to eliminate duplicates Z: 6 5.521 1.802 0.467 0.344 0.800 0.400 O 1.383 6 residues pruned to eliminate duplicates Z: 19 10.906 1.808 0.488 0.408 0.833 0.444 CB 1.263 19 residues pruned to eliminate duplicates Z: 31 11.057 1.789 0.389 0.479 0.633 0.400 CB 1.310 31 residues pruned to eliminate duplicates Z: 14 4.158 1.667 0.458 0.255 0.538 0.077 CB 1.168 14 residues pruned to eliminate duplicates Z: 21 9.241 1.779 0.407 0.385 0.700 0.400 CB 1.332 21 residues pruned to eliminate duplicates Z: 16 7.263 1.669 0.395 0.458 0.933 0.733 CB 0.901 13 residues pruned to eliminate duplicates Z: 8 4.373 1.395 0.491 0.424 1.000 0.286 CB 0.860 Z: 6 2.969 1.335 0.178 0.450 0.800 0.200 N 1.111 6 residues pruned to eliminate duplicates Z: 26 9.455 1.645 0.362 0.317 0.920 0.400 CB 1.123 25 residues pruned to eliminate duplicates 6 1.989 1.322 0.186 0.284 0.600 0.600 CB 1.205 ? Z: 11 4.718 1.652 0.367 0.478 0.500 0.300 CB 1.352 11 residues pruned to eliminate duplicates Z: 19 5.300 1.649 0.327 0.265 0.833 0.333 CB 0.896 19 residues pruned to eliminate duplicates Z: 34 9.859 1.639 0.269 0.418 0.879 0.515 CB 1.023 34 residues pruned to eliminate duplicates Z: 24 12.807 1.672 0.485 0.535 0.957 0.565 CB 1.087 24 residues pruned to eliminate duplicates Z: 19 9.464 1.768 0.485 0.419 0.833 0.333 CB 1.109 28 residues pruned to eliminate duplicates Z: 13 10.025 1.693 0.720 0.720 0.750 0.333 CB 1.086 13 residues pruned to eliminate duplicates Z: 20 9.897 1.748 0.405 0.503 0.737 0.263 CB 1.251 20 residues pruned to eliminate duplicates Z: 9 11.388 1.841 0.563 0.718 0.875 0.375 CB 1.313 9 residues pruned to eliminate duplicates Z: 23 11.835 1.698 0.422 0.581 0.773 0.318 CB 1.251 31 residues pruned to eliminate duplicates Z: 7 10.463 1.826 0.602 0.732 0.833 0.833 CB 1.422 7 residues pruned to eliminate duplicates Z: 16 11.302 1.721 0.664 0.650 0.733 0.467 CB 1.208 16 residues pruned to eliminate duplicates Z: 9 13.129 1.783 0.892 0.876 0.750 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 20 15.159 1.785 0.783 0.638 0.842 0.368 CB 1.140 38 residues pruned to eliminate duplicates Z: 17 15.538 1.721 0.710 0.885 0.938 0.562 CB 1.017 17 residues pruned to eliminate duplicates Z: 8 3.694 1.721 0.490 0.387 0.714 0.286 CB 0.859 8 residues pruned to eliminate duplicates Z: 28 10.704 1.653 0.636 0.470 0.667 0.333 CB 1.178 28 residues pruned to eliminate duplicates Z: 17 12.825 1.736 0.626 0.762 0.812 0.500 CB 1.108 17 residues pruned to eliminate duplicates Z: 8 3.048 1.482 0.298 0.182 0.857 0.143 O 1.025 8 residues pruned to eliminate duplicates Z: 10 3.644 1.580 0.185 0.194 0.778 0.111 CB 1.202 Z: 7 10.343 1.768 0.808 0.536 1.000 0.833 CB 1.275 7 residues pruned to eliminate duplicates Z: 13 6.463 1.884 0.157 0.363 0.917 0.583 CB 1.081 13 residues pruned to eliminate duplicates Z: 25 9.953 1.928 0.281 0.279 0.833 0.375 CB 1.268 25 residues pruned to eliminate duplicates Z: 27 9.811 1.880 0.367 0.245 0.885 0.385 CB 1.136 23 residues pruned to eliminate duplicates Z: 6 2.208 1.530 0.176 0.257 0.800 0.400 CB 0.907 6 residues pruned to eliminate duplicates Z: 25 11.163 1.884 0.335 0.291 0.875 0.333 CB 1.309 36 residues pruned to eliminate duplicates Z: 15 16.885 1.883 0.698 0.648 0.786 0.500 N 1.566 27 residues pruned to eliminate duplicates Z: 8 5.624 1.760 0.686 0.422 0.571 0.286 CB 1.360 8 residues pruned to eliminate duplicates Z: 27 11.942 1.852 0.428 0.325 0.846 0.385 CB 1.270 27 residues pruned to eliminate duplicates Z: 10 13.259 1.922 0.532 0.527 1.000 0.333 CB 1.462 10 residues pruned to eliminate duplicates Z: 39 12.884 1.798 0.481 0.266 0.816 0.395 CB 1.257 49 residues pruned to eliminate duplicates Z: 14 8.721 1.832 0.339 0.397 0.769 0.231 CB 1.429 14 residues pruned to eliminate duplicates Z: 26 17.608 1.942 0.612 0.485 0.880 0.520 CB 1.297 26 residues pruned to eliminate duplicates Z: 28 19.026 1.900 0.622 0.535 1.000 0.556 CB 1.148 28 residues pruned to eliminate duplicates Z: 10 11.405 1.797 0.822 0.853 0.778 0.667 CB 1.103 10 residues pruned to eliminate duplicates Z: 9 15.703 1.876 0.808 0.883 1.000 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 13 20.900 1.890 0.913 0.769 1.000 0.500 CB 1.314 13 residues pruned to eliminate duplicates Z: 28 20.283 1.929 0.640 0.556 0.963 0.556 CB 1.214 28 residues pruned to eliminate duplicates Z: 28 17.818 1.903 0.490 0.552 0.963 0.556 CB 1.194 28 residues pruned to eliminate duplicates Z: 21 10.546 1.573 0.399 0.558 0.800 0.450 CB 1.266 21 residues pruned to eliminate duplicates Z: 8 3.422 1.628 -0.029 0.632 0.857 0.571 CB 0.843 7 residues pruned to eliminate duplicates Z: 16 12.802 1.644 0.312 0.843 1.000 0.733 CB 1.141 16 residues pruned to eliminate duplicates Z: 11 4.217 1.568 0.047 0.517 0.900 0.800 CB 0.888 12 residues pruned to eliminate duplicates Z: 14 14.890 1.725 0.474 0.837 1.000 0.769 CB 1.215 16 residues pruned to eliminate duplicates Z: 13 13.904 1.673 0.568 0.890 1.000 0.750 CB 1.100 12 residues pruned to eliminate duplicates Z: 13 11.495 1.705 0.247 0.885 1.000 0.750 O 1.127 13 residues pruned to eliminate duplicates Z: 16 10.603 1.688 0.288 0.696 1.000 0.800 CB 1.053 15 residues pruned to eliminate duplicates Z: 13 15.528 1.750 0.474 0.847 1.000 0.833 CB 1.290 14 residues pruned to eliminate duplicates Z: 13 16.324 1.744 0.428 0.902 1.000 0.917 CB 1.350 13 residues pruned to eliminate duplicates Z: 16 11.545 1.703 0.516 0.675 0.867 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 10 12.746 1.747 0.418 0.803 1.000 1.000 CB 1.316 10 residues pruned to eliminate duplicates Z: 22 11.663 1.654 0.266 0.670 0.952 0.810 CB 1.091 22 residues pruned to eliminate duplicates Z: 16 12.955 1.723 0.260 0.723 0.933 0.867 CB 1.350 13 residues pruned to eliminate duplicates Z: 6 4.622 1.493 0.437 0.796 1.000 1.000 CB 0.744 6 residues pruned to eliminate duplicates Z: 9 4.555 1.484 0.415 0.369 0.875 0.500 CB 1.009 10 residues pruned to eliminate duplicates Z: 7 3.809 1.594 0.125 0.337 0.833 0.500 CB 1.243 7 residues pruned to eliminate duplicates Z: 8 3.230 1.663 -0.103 0.369 0.714 0.571 CB 1.319 8 residues pruned to eliminate duplicates Z: 20 12.155 1.722 0.241 0.604 0.895 0.632 CB 1.321 20 residues pruned to eliminate duplicates Z: 29 11.940 1.614 0.215 0.660 0.857 0.607 CB 1.158 29 residues pruned to eliminate duplicates Z: 21 10.031 1.679 0.352 0.515 0.800 0.400 CB 1.217 21 residues pruned to eliminate duplicates Z: 23 10.608 1.697 0.168 0.559 0.909 0.636 CB 1.185 23 residues pruned to eliminate duplicates Z: 22 17.660 1.885 0.604 0.629 0.905 0.571 CB 1.247 22 residues pruned to eliminate duplicates Z: 13 20.899 1.910 0.662 0.847 0.917 0.750 O 1.539 13 residues pruned to eliminate duplicates Z: 13 16.579 1.922 0.337 0.787 0.917 0.417 N 1.578 19 residues pruned to eliminate duplicates Z: 15 14.924 1.877 0.444 0.724 0.786 0.500 O 1.530 15 residues pruned to eliminate duplicates Z: 13 15.980 1.918 0.571 0.830 0.750 0.750 N 1.535 13 residues pruned to eliminate duplicates Z: 15 18.895 1.862 0.616 0.764 0.857 0.643 N 1.549 14 residues pruned to eliminate duplicates Z: 13 24.330 1.902 0.640 0.896 1.000 0.667 O 1.613 13 residues pruned to eliminate duplicates Z: 17 7.142 1.787 0.738 0.340 0.562 0.188 CB 1.216 17 residues pruned to eliminate duplicates Z: 8 5.517 1.845 0.302 0.652 0.571 0.286 CB 1.319 8 residues pruned to eliminate duplicates Z: 14 5.349 1.650 0.672 0.298 0.692 0.154 CB 0.974 14 residues pruned to eliminate duplicates Z: 8 2.934 1.598 0.285 0.393 0.857 0.429 CB 0.706 8 residues pruned to eliminate duplicates Z: 15 5.504 1.806 0.473 0.369 0.714 0.214 CB 0.891 15 residues pruned to eliminate duplicates Z: 13 7.209 1.808 0.556 0.464 0.667 0.250 CB 1.151 13 residues pruned to eliminate duplicates Z: 13 7.326 1.792 0.535 0.264 0.750 0.417 CB 1.341 13 residues pruned to eliminate duplicates Z: 12 5.646 1.835 0.351 0.288 0.636 0.545 N 1.369 12 residues pruned to eliminate duplicates Z: 11 6.564 1.874 0.369 0.255 0.700 0.600 CB 1.530 11 residues pruned to eliminate duplicates Z: 12 6.585 1.877 0.415 0.303 0.636 0.455 CB 1.462 12 residues pruned to eliminate duplicates Z: 6 2.142 1.699 0.351 0.336 0.600 0.400 CB 0.832 Z: 6 3.430 1.458 0.211 0.464 1.000 0.800 CB 0.901 6 residues pruned to eliminate duplicates Z: 27 14.630 1.807 0.598 0.332 0.885 0.462 CB 1.351 32 residues pruned to eliminate duplicates Z: 19 23.353 1.838 0.547 0.770 1.000 0.778 CB 1.524 26 residues pruned to eliminate duplicates Z: 18 18.631 1.762 0.421 0.859 1.000 0.765 O 1.327 18 residues pruned to eliminate duplicates Z: 26 18.329 1.884 0.548 0.498 0.880 0.560 CB 1.431 26 residues pruned to eliminate duplicates Z: 22 21.172 1.954 0.573 0.529 0.905 0.429 CB 1.614 22 residues pruned to eliminate duplicates Z: 17 18.687 1.829 0.579 0.792 0.875 0.688 CB 1.432 17 residues pruned to eliminate duplicates Z: 27 16.861 1.862 0.373 0.470 0.885 0.692 CB 1.507 27 residues pruned to eliminate duplicates Z: 23 25.279 1.975 0.651 0.580 0.909 0.682 N 1.683 22 residues pruned to eliminate duplicates Z: 11 17.052 1.935 0.765 0.762 0.800 0.600 O 1.564 11 residues pruned to eliminate duplicates Z: 13 25.749 2.055 0.587 0.831 1.000 0.917 CB 1.713 13 residues pruned to eliminate duplicates Z: 20 18.187 1.945 0.568 0.473 0.895 0.421 N 1.572 20 residues pruned to eliminate duplicates Z: 23 16.323 1.971 0.575 0.502 0.727 0.409 N 1.538 23 residues pruned to eliminate duplicates Z: 14 14.758 2.004 0.464 0.693 0.692 0.308 N 1.689 14 residues pruned to eliminate duplicates Z: 17 12.195 1.940 0.745 0.431 0.750 0.312 N 1.290 17 residues pruned to eliminate duplicates Z: 30 18.719 1.909 0.532 0.438 0.897 0.552 CB 1.413 30 residues pruned to eliminate duplicates Z: 6 4.245 1.721 0.280 0.329 0.800 0.400 N 1.300 Z: 6 2.097 1.708 0.258 0.190 0.600 0.200 CB 1.054 Z: 10 5.545 1.795 0.815 0.211 0.667 0.222 CB 1.196 12 residues pruned to eliminate duplicates Z: 39 20.716 1.872 0.490 0.506 0.921 0.658 CB 1.301 66 residues pruned to eliminate duplicates Z: 24 28.916 1.915 0.967 0.822 0.913 0.739 CB 1.326 24 residues pruned to eliminate duplicates Z: 15 15.586 1.951 0.361 0.704 1.000 0.643 CB 1.303 15 residues pruned to eliminate duplicates Z: 29 21.372 1.902 0.736 0.534 0.786 0.571 CB 1.505 37 residues pruned to eliminate duplicates Z: 21 22.478 1.964 0.737 0.687 0.850 0.400 N 1.460 21 residues pruned to eliminate duplicates Z: 21 15.269 1.922 0.629 0.572 0.800 0.500 CB 1.271 21 residues pruned to eliminate duplicates Z: 15 21.435 2.008 0.745 0.830 0.929 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 19 21.014 1.994 0.765 0.684 0.833 0.500 N 1.426 19 residues pruned to eliminate duplicates Z: 16 19.239 1.872 0.642 0.780 0.933 0.400 CB 1.353 16 residues pruned to eliminate duplicates Z: 20 22.609 1.916 0.791 0.716 0.842 0.368 CB 1.476 20 residues pruned to eliminate duplicates Z: 10 16.093 2.055 1.060 0.602 0.778 0.333 CB 1.477 10 residues pruned to eliminate duplicates Z: 34 21.281 1.899 0.866 0.586 0.697 0.364 CB 1.381 34 residues pruned to eliminate duplicates Z: 13 10.381 1.958 1.086 0.521 0.500 0.250 CB 1.438 13 residues pruned to eliminate duplicates Z: 15 12.645 1.797 0.812 0.586 0.714 0.500 CB 1.338 15 residues pruned to eliminate duplicates Z: 28 21.356 1.945 0.874 0.553 0.778 0.444 CB 1.377 25 residues pruned to eliminate duplicates Z: 13 19.144 1.954 0.882 0.760 0.917 0.417 CB 1.301 13 residues pruned to eliminate duplicates Z: 26 24.273 1.932 0.787 0.640 0.840 0.320 CB 1.468 30 residues pruned to eliminate duplicates Z: 23 33.939 1.934 1.154 0.827 0.955 0.500 CB 1.372 23 residues pruned to eliminate duplicates Z: 38 21.419 1.880 0.825 0.511 0.811 0.378 CB 1.251 38 residues pruned to eliminate duplicates Z: 24 19.863 1.920 0.937 0.594 0.652 0.217 N 1.562 24 residues pruned to eliminate duplicates Z: 34 25.818 1.913 0.876 0.644 0.788 0.273 CB 1.390 34 residues pruned to eliminate duplicates Z: 42 29.538 1.940 0.727 0.616 0.854 0.439 CB 1.445 42 residues pruned to eliminate duplicates Z: 25 31.614 2.024 1.051 0.720 0.792 0.542 N 1.609 25 residues pruned to eliminate duplicates Z: 30 25.379 1.928 0.898 0.603 0.828 0.276 CB 1.412 30 residues pruned to eliminate duplicates Z: 29 26.489 1.968 0.776 0.675 0.857 0.571 CB 1.422 29 residues pruned to eliminate duplicates Z: 32 28.639 1.990 0.864 0.713 0.839 0.645 CB 1.362 32 residues pruned to eliminate duplicates Z: 14 9.199 1.871 0.723 0.415 0.615 0.385 CB 1.406 14 residues pruned to eliminate duplicates Z: 25 30.244 2.059 0.887 0.713 0.875 0.500 CB 1.498 25 residues pruned to eliminate duplicates Z: 10 11.675 1.641 0.501 0.905 1.000 0.667 CB 1.125 10 residues pruned to eliminate duplicates Z: 8 4.748 1.633 0.513 0.531 0.857 0.714 CB 0.822 8 residues pruned to eliminate duplicates Z: 8 9.567 1.879 0.238 0.702 1.000 0.571 CB 1.294 8 residues pruned to eliminate duplicates Z: 18 14.931 1.792 0.566 0.702 0.941 0.765 CB 1.140 29 residues pruned to eliminate duplicates Z: 10 11.518 1.879 0.373 0.872 0.889 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 13 12.327 1.612 0.436 0.878 1.000 0.833 CB 1.116 13 residues pruned to eliminate duplicates Z: 11 15.422 1.800 0.519 0.832 1.000 1.000 CB 1.338 11 residues pruned to eliminate duplicates Z: 13 11.016 1.725 0.475 0.806 0.750 0.583 CB 1.276 13 residues pruned to eliminate duplicates Z: 13 11.571 1.687 0.620 0.748 0.917 0.583 CB 1.069 13 residues pruned to eliminate duplicates Z: 15 11.319 1.727 0.486 0.635 0.929 0.500 CB 1.119 23 residues pruned to eliminate duplicates Z: 11 2.908 1.592 0.232 0.109 0.700 0.300 N 1.100 Z: 7 9.590 1.888 0.617 0.731 1.000 0.167 CB 1.041 Z: 8 10.822 1.838 0.370 0.821 1.000 0.714 CB 1.229 7 residues pruned to eliminate duplicates Z: 10 6.889 1.622 0.334 0.701 0.778 0.556 CB 1.136 8 residues pruned to eliminate duplicates Z: 10 6.625 1.700 0.620 0.659 0.778 0.667 CB 0.890 10 residues pruned to eliminate duplicates Z: 9 5.729 1.803 0.444 0.538 0.750 0.625 CB 0.999 9 residues pruned to eliminate duplicates Z: 7 7.600 1.881 0.832 0.615 0.833 0.500 CB 0.969 7 residues pruned to eliminate duplicates Z: 13 11.286 1.779 0.602 0.501 0.917 0.417 CB 1.247 8 residues pruned to eliminate duplicates Z: 11 8.468 1.708 0.598 0.563 0.800 0.400 CB 1.154 13 residues pruned to eliminate duplicates Z: 8 6.390 1.527 0.655 0.482 0.857 0.143 N 1.135 7 residues pruned to eliminate duplicates Z: 10 7.235 1.625 0.414 0.876 0.889 0.556 CB 0.858 Z: 12 7.025 1.522 0.437 0.767 0.818 0.364 CB 0.934 10 residues pruned to eliminate duplicates Z: 6 2.649 1.566 0.762 0.491 0.600 0.200 CB 0.722 6 residues pruned to eliminate duplicates Z: 7 3.627 1.559 0.115 0.767 0.667 0.333 CB 1.009 7 residues pruned to eliminate duplicates Z: 9 5.305 1.556 0.545 0.833 0.750 0.250 CB 0.781 9 residues pruned to eliminate duplicates Z: 9 7.057 1.584 0.618 0.788 0.875 0.250 CB 0.864 9 residues pruned to eliminate duplicates Z: 7 5.765 1.641 0.695 0.701 0.667 0.500 CB 1.057 7 residues pruned to eliminate duplicates Z: 7 7.858 1.670 0.374 0.669 1.000 0.667 CB 1.196 7 residues pruned to eliminate duplicates Z: 11 6.107 1.539 0.604 0.492 0.800 0.200 CB 0.986 10 residues pruned to eliminate duplicates Z: 9 6.623 1.533 0.734 0.722 0.875 0.375 CB 0.824 9 residues pruned to eliminate duplicates Z: 8 6.355 1.600 0.558 0.704 0.857 0.714 CB 0.933 8 residues pruned to eliminate duplicates Z: 10 6.633 1.570 0.847 0.544 0.778 0.444 CB 0.939 10 residues pruned to eliminate duplicates Z: 11 10.692 1.609 0.613 0.696 0.900 0.600 CB 1.210 11 residues pruned to eliminate duplicates Z: 13 11.162 1.588 0.653 0.829 0.917 0.750 CB 1.007 13 residues pruned to eliminate duplicates Z: 14 7.356 1.586 0.536 0.628 0.846 0.615 CB 0.877 14 residues pruned to eliminate duplicates Z: 8 11.610 1.717 0.822 0.826 1.000 0.714 CB 1.058 8 residues pruned to eliminate duplicates Z: 12 10.487 1.699 0.571 0.716 0.909 0.727 CB 1.072 12 residues pruned to eliminate duplicates Z: 12 9.420 1.661 0.624 0.666 0.818 0.727 CB 1.103 12 residues pruned to eliminate duplicates Z: 8 7.584 1.781 0.416 0.625 0.857 0.571 N 1.179 8 residues pruned to eliminate duplicates Z: 8 9.014 1.752 0.467 0.802 0.857 0.857 N 1.187 8 residues pruned to eliminate duplicates Z: 10 8.634 1.600 0.527 0.865 0.889 0.556 CB 0.971 9 residues pruned to eliminate duplicates Z: 7 9.379 1.731 0.443 0.876 1.000 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 18 8.191 1.634 0.215 0.313 0.941 0.471 CB 1.307 18 residues pruned to eliminate duplicates Z: 7 5.130 1.323 0.567 0.365 1.000 0.333 N 1.168 7 residues pruned to eliminate duplicates Z: 8 5.693 1.865 0.307 0.278 0.857 0.714 CB 1.324 8 residues pruned to eliminate duplicates Z: 11 7.533 1.886 0.533 0.250 0.800 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 14 9.850 1.916 0.334 0.317 0.923 0.462 CB 1.418 14 residues pruned to eliminate duplicates Z: 15 8.520 1.800 0.324 0.246 0.857 0.643 N 1.493 15 residues pruned to eliminate duplicates Z: 24 14.122 1.768 0.402 0.445 0.957 0.652 CB 1.314 20 residues pruned to eliminate duplicates Z: 12 6.505 1.633 0.047 0.605 0.909 0.818 O 1.142 12 residues pruned to eliminate duplicates Z: 24 10.144 1.790 0.228 0.388 0.870 0.652 CB 1.245 24 residues pruned to eliminate duplicates Z: 25 13.496 1.780 0.332 0.430 0.958 0.625 CB 1.304 24 residues pruned to eliminate duplicates Z: 10 9.030 1.652 0.413 0.856 1.000 0.667 O 0.951 10 residues pruned to eliminate duplicates Z: 21 10.510 1.696 0.372 0.531 0.800 0.400 CB 1.224 21 residues pruned to eliminate duplicates Z: 23 9.125 1.819 0.274 0.343 0.818 0.636 CB 1.217 23 residues pruned to eliminate duplicates Z: 15 11.363 1.851 0.424 0.415 0.929 0.786 CB 1.356 15 residues pruned to eliminate duplicates Z: 25 13.445 1.757 0.385 0.397 0.917 0.583 CB 1.372 26 residues pruned to eliminate duplicates Z: 8 7.026 1.729 0.315 0.755 1.000 0.714 CB 0.930 8 residues pruned to eliminate duplicates Z: 12 11.329 1.798 0.655 0.543 0.909 0.727 CB 1.210 12 residues pruned to eliminate duplicates Z: 12 9.747 1.754 0.285 0.641 0.909 0.909 CB 1.256 12 residues pruned to eliminate duplicates Z: 13 9.822 1.737 0.315 0.621 1.000 0.750 CB 1.107 13 residues pruned to eliminate duplicates Z: 10 7.127 1.893 -0.150 0.667 1.000 0.889 CB 1.265 10 residues pruned to eliminate duplicates Z: 12 7.051 1.817 0.133 0.537 0.818 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 9 10.233 1.916 0.324 0.767 1.000 0.875 CB 1.125 9 residues pruned to eliminate duplicates Z: 10 9.560 1.869 0.142 0.751 0.889 0.778 CB 1.343 10 residues pruned to eliminate duplicates Z: 11 11.267 1.793 0.443 0.730 0.900 0.900 CB 1.244 11 residues pruned to eliminate duplicates Z: 10 11.186 1.908 0.196 0.808 1.000 1.000 CB 1.249 10 residues pruned to eliminate duplicates Z: 13 11.533 1.765 0.523 0.660 0.917 0.667 CB 1.165 13 residues pruned to eliminate duplicates Z: 20 10.630 1.716 0.388 0.487 0.842 0.632 CB 1.232 10 residues pruned to eliminate duplicates Z: 6 4.836 1.633 0.082 0.648 0.800 0.200 CB 1.333 6 residues pruned to eliminate duplicates Z: 7 4.464 1.634 0.191 0.622 0.833 0.667 CB 1.002 7 residues pruned to eliminate duplicates Z: 15 7.944 1.807 0.311 0.291 0.857 0.357 N 1.322 11 residues pruned to eliminate duplicates Z: 13 9.840 1.732 0.540 0.835 0.917 0.750 CB 0.870 13 residues pruned to eliminate duplicates Z: 7 7.272 1.885 0.109 0.838 0.833 0.667 CB 1.274 7 residues pruned to eliminate duplicates Z: 12 5.215 1.804 0.147 0.558 0.636 0.273 CB 1.129 12 residues pruned to eliminate duplicates Z: 20 8.140 1.735 0.324 0.439 0.789 0.421 CB 1.096 20 residues pruned to eliminate duplicates Z: 32 10.526 1.795 0.307 0.439 0.742 0.194 CB 1.156 42 residues pruned to eliminate duplicates Z: 9 5.188 1.834 0.095 0.656 0.750 0.250 CB 1.053 9 residues pruned to eliminate duplicates 10 1.764 1.471 0.457 0.124 0.444 0.111 CB 0.989 ? Z: 6 2.439 1.528 0.496 0.184 0.600 0.200 N 1.163 Z: 12 10.185 1.780 0.570 0.704 0.727 0.545 CB 1.255 9 residues pruned to eliminate duplicates Z: 9 8.882 1.858 0.419 0.741 0.750 0.625 CB 1.279 9 residues pruned to eliminate duplicates Z: 17 10.918 1.931 0.385 0.501 0.875 0.500 CB 1.165 17 residues pruned to eliminate duplicates Z: 18 6.918 1.825 0.322 0.334 0.647 0.353 CB 1.288 18 residues pruned to eliminate duplicates Z: 26 9.487 1.875 0.366 0.392 0.760 0.440 CB 1.093 26 residues pruned to eliminate duplicates Z: 26 11.777 1.804 0.575 0.418 0.800 0.480 CB 1.129 26 residues pruned to eliminate duplicates Z: 13 12.932 1.708 0.595 0.793 0.833 0.500 CB 1.272 12 residues pruned to eliminate duplicates Z: 14 11.757 1.696 0.438 0.798 0.846 0.692 CB 1.218 14 residues pruned to eliminate duplicates Z: 18 9.834 1.904 0.344 0.466 0.765 0.529 CB 1.262 18 residues pruned to eliminate duplicates Z: 28 10.005 1.803 0.409 0.413 0.778 0.370 CB 1.067 28 residues pruned to eliminate duplicates Z: 16 9.289 1.896 0.330 0.561 0.867 0.600 CB 1.034 16 residues pruned to eliminate duplicates Z: 23 12.251 1.857 0.381 0.467 0.909 0.455 CB 1.159 23 residues pruned to eliminate duplicates Z: 21 8.849 1.864 0.262 0.414 0.750 0.450 CB 1.227 21 residues pruned to eliminate duplicates Z: 35 16.108 1.823 0.480 0.486 0.853 0.559 CB 1.218 35 residues pruned to eliminate duplicates Z: 32 15.491 1.802 0.483 0.485 0.839 0.581 CB 1.261 32 residues pruned to eliminate duplicates Z: 25 7.039 1.815 0.430 0.316 0.583 0.333 CB 1.163 25 residues pruned to eliminate duplicates Z: 23 12.271 1.876 0.414 0.484 0.864 0.591 CB 1.161 23 residues pruned to eliminate duplicates Z: 21 12.887 1.757 0.497 0.528 0.850 0.700 CB 1.254 21 residues pruned to eliminate duplicates Z: 18 14.832 1.948 0.439 0.734 0.824 0.647 CB 1.263 18 residues pruned to eliminate duplicates Z: 19 6.525 1.863 0.173 0.397 0.611 0.222 CB 1.283 19 residues pruned to eliminate duplicates Z: 19 19.581 1.974 0.514 0.746 0.944 0.778 CB 1.313 19 residues pruned to eliminate duplicates Z: 39 24.834 1.936 0.468 0.676 0.974 0.763 CB 1.238 46 residues pruned to eliminate duplicates Z: 21 28.289 1.930 0.786 0.855 0.950 0.750 CB 1.425 24 residues pruned to eliminate duplicates Z: 21 22.424 1.951 0.524 0.863 0.950 0.850 CB 1.302 21 residues pruned to eliminate duplicates Z: 18 16.597 1.907 0.513 0.767 0.824 0.765 CB 1.337 18 residues pruned to eliminate duplicates Z: 32 18.774 1.920 0.470 0.605 0.871 0.677 CB 1.241 32 residues pruned to eliminate duplicates Z: 22 17.061 1.978 0.470 0.626 0.810 0.524 CB 1.404 22 residues pruned to eliminate duplicates Z: 34 28.687 1.958 0.612 0.759 0.970 0.758 CB 1.296 34 residues pruned to eliminate duplicates Z: 26 18.015 1.901 0.605 0.723 0.800 0.600 CB 1.206 26 residues pruned to eliminate duplicates Z: 19 26.771 2.040 0.731 0.858 0.944 0.944 CB 1.393 20 residues pruned to eliminate duplicates Z: 20 29.336 1.933 0.834 0.852 1.000 0.737 CB 1.404 19 residues pruned to eliminate duplicates Z: 21 30.569 1.894 0.977 0.894 0.950 0.750 CB 1.378 21 residues pruned to eliminate duplicates Z: 22 29.421 1.924 0.881 0.902 0.952 0.714 CB 1.329 22 residues pruned to eliminate duplicates Z: 18 30.131 1.979 0.754 0.869 1.000 0.647 CB 1.538 18 residues pruned to eliminate duplicates Z: 25 19.404 1.940 0.640 0.707 0.792 0.625 CB 1.303 25 residues pruned to eliminate duplicates Z: 22 26.604 1.938 0.949 0.816 0.905 0.524 CB 1.291 22 residues pruned to eliminate duplicates Z: 38 21.836 1.920 0.546 0.690 0.865 0.649 CB 1.176 38 residues pruned to eliminate duplicates Z: 9 4.618 1.472 0.579 0.593 0.875 0.625 CB 0.734 Z: 9 3.166 1.333 0.544 0.281 0.750 0.375 O 0.928 9 residues pruned to eliminate duplicates Z: 8 4.483 1.675 0.271 0.608 0.714 0.429 N 1.005 7 residues pruned to eliminate duplicates Z: 13 13.590 1.545 0.736 0.830 0.917 0.833 CB 1.200 15 residues pruned to eliminate duplicates Z: 14 14.451 1.521 0.659 0.837 1.000 0.769 CB 1.189 13 residues pruned to eliminate duplicates Z: 12 8.969 1.486 0.492 0.865 0.909 0.818 O 0.983 12 residues pruned to eliminate duplicates Z: 16 8.015 1.611 0.440 0.495 0.800 0.667 CB 1.121 16 residues pruned to eliminate duplicates Z: 11 9.775 1.661 0.700 0.552 0.900 0.500 CB 1.157 11 residues pruned to eliminate duplicates Z: 11 8.838 1.629 0.395 0.624 0.900 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 16 10.541 1.691 0.474 0.637 0.933 0.400 CB 1.029 26 residues pruned to eliminate duplicates Z: 16 10.937 1.699 0.514 0.677 0.867 0.600 CB 1.077 16 residues pruned to eliminate duplicates Z: 12 3.313 1.603 0.205 0.347 0.727 0.455 CB 0.840 12 residues pruned to eliminate duplicates Z: 8 4.986 1.727 0.237 0.395 1.000 0.429 CB 0.986 8 residues pruned to eliminate duplicates Z: 8 4.694 1.697 0.351 0.400 1.000 0.429 CB 0.860 8 residues pruned to eliminate duplicates Z: 16 7.265 1.612 0.266 0.405 0.867 0.533 CB 1.172 17 residues pruned to eliminate duplicates Z: 10 14.919 1.754 0.701 0.899 1.000 0.889 CB 1.191 10 residues pruned to eliminate duplicates Z: 11 14.360 1.602 0.695 0.892 1.000 0.800 CB 1.201 10 residues pruned to eliminate duplicates Z: 10 11.566 1.729 0.605 0.830 0.889 0.889 CB 1.175 10 residues pruned to eliminate duplicates Z: 16 10.049 1.571 0.500 0.553 0.933 0.533 CB 1.121 16 residues pruned to eliminate duplicates Z: 15 11.785 1.576 0.645 0.599 1.000 0.643 CB 1.106 15 residues pruned to eliminate duplicates Z: 14 10.503 1.580 0.618 0.575 0.923 0.692 CB 1.148 14 residues pruned to eliminate duplicates Z: 14 10.490 1.668 0.577 0.500 0.923 0.538 CB 1.198 14 residues pruned to eliminate duplicates Z: 7 2.624 1.356 0.571 0.685 0.500 0.333 CB 0.849 Z: 14 5.707 1.658 0.158 0.353 0.769 0.308 N 1.256 14 residues pruned to eliminate duplicates Z: 8 6.443 1.772 0.295 0.451 0.857 0.429 CB 1.302 8 residues pruned to eliminate duplicates Z: 15 12.395 1.718 0.458 0.853 0.929 0.857 CB 1.053 15 residues pruned to eliminate duplicates Z: 14 9.550 1.740 0.386 0.772 0.923 0.846 CB 0.936 14 residues pruned to eliminate duplicates Z: 12 6.496 1.692 0.628 0.415 0.818 0.364 CB 0.950 12 residues pruned to eliminate duplicates Z: 18 6.244 1.639 0.622 0.304 0.765 0.353 CB 0.926 33 residues pruned to eliminate duplicates Z: 13 6.471 1.693 0.360 0.468 0.750 0.333 CB 1.117 Z: 15 11.207 1.710 0.477 0.767 0.929 0.714 CB 1.008 13 residues pruned to eliminate duplicates Z: 14 11.861 1.759 0.480 0.828 0.923 0.846 CB 1.031 15 residues pruned to eliminate duplicates Z: 11 8.069 1.708 0.565 0.717 0.800 0.500 CB 0.981 11 residues pruned to eliminate duplicates Z: 14 9.133 1.730 0.615 0.639 0.846 0.538 CB 0.941 14 residues pruned to eliminate duplicates Z: 13 10.061 1.750 0.754 0.644 0.917 0.667 CB 0.903 13 residues pruned to eliminate duplicates Z: 8 4.250 1.763 0.259 0.188 0.857 0.429 CB 1.227 8 residues pruned to eliminate duplicates Z: 11 4.946 1.860 0.257 0.227 0.800 0.300 CB 1.149 11 residues pruned to eliminate duplicates Z: 18 7.905 1.842 0.348 0.283 0.824 0.471 CB 1.198 19 residues pruned to eliminate duplicates Z: 10 5.625 1.820 0.653 0.517 0.889 0.667 CB 0.690 10 residues pruned to eliminate duplicates Z: 18 7.831 1.804 0.395 0.295 0.765 0.353 CB 1.241 14 residues pruned to eliminate duplicates Z: 6 8.083 2.022 0.761 0.841 1.000 0.600 CB 0.757 6 residues pruned to eliminate duplicates Z: 12 9.645 1.924 0.701 0.433 0.818 0.545 CB 1.164 12 residues pruned to eliminate duplicates Z: 9 11.914 2.020 0.996 0.609 0.875 0.625 CB 1.076 11 residues pruned to eliminate duplicates Z: 9 9.274 1.750 0.792 0.787 0.875 0.500 CB 0.929 9 residues pruned to eliminate duplicates Z: 10 9.234 2.091 0.790 0.540 0.778 0.444 CB 1.017 10 residues pruned to eliminate duplicates Z: 13 8.634 1.973 0.583 0.418 0.750 0.500 CB 1.159 13 residues pruned to eliminate duplicates Z: 11 7.123 2.004 0.356 0.482 0.800 0.600 CB 1.055 11 residues pruned to eliminate duplicates Z: 18 10.852 1.944 0.671 0.499 0.706 0.412 CB 1.149 19 residues pruned to eliminate duplicates Z: 9 9.476 1.746 0.872 0.530 0.750 0.375 O 1.326 9 residues pruned to eliminate duplicates Z: 7 7.016 1.936 0.534 0.514 0.667 0.500 CB 1.426 7 residues pruned to eliminate duplicates Z: 26 12.239 1.977 0.530 0.410 0.720 0.520 CB 1.235 53 residues pruned to eliminate duplicates Z: 24 10.375 1.971 0.487 0.380 0.696 0.261 CB 1.207 24 residues pruned to eliminate duplicates Z: 18 8.326 1.873 0.631 0.366 0.588 0.353 CB 1.298 18 residues pruned to eliminate duplicates Z: 16 10.061 1.930 0.636 0.460 0.667 0.333 CB 1.285 16 residues pruned to eliminate duplicates Z: 9 8.127 1.952 0.591 0.592 0.750 0.500 CB 1.130 4 residues pruned to eliminate duplicates Z: 9 5.902 1.695 0.372 0.491 0.750 0.375 CB 1.207 9 residues pruned to eliminate duplicates Z: 11 2.707 1.853 0.082 0.202 0.900 0.300 CB 0.676 11 residues pruned to eliminate duplicates Z: 14 5.241 1.830 0.428 0.380 0.615 0.538 CB 1.027 14 residues pruned to eliminate duplicates Z: 9 3.048 1.879 0.159 0.388 0.875 0.625 CB 0.637 9 residues pruned to eliminate duplicates Z: 20 7.546 1.793 0.537 0.347 0.632 0.211 CB 1.174 18 residues pruned to eliminate duplicates Z: 7 5.211 1.641 0.456 0.456 0.833 0.333 CB 1.118 7 residues pruned to eliminate duplicates Z: 9 6.073 1.827 0.679 0.204 0.875 0.250 CB 1.137 9 residues pruned to eliminate duplicates Z: 23 11.262 1.947 0.483 0.336 0.773 0.409 CB 1.288 23 residues pruned to eliminate duplicates Z: 8 4.225 1.729 0.529 0.165 0.714 0.429 CB 1.272 8 residues pruned to eliminate duplicates Z: 38 15.964 1.893 0.492 0.442 0.757 0.486 CB 1.303 38 residues pruned to eliminate duplicates Z: 39 15.977 1.921 0.614 0.367 0.789 0.395 CB 1.223 32 residues pruned to eliminate duplicates Z: 18 20.589 1.928 1.014 0.671 0.824 0.588 CB 1.334 18 residues pruned to eliminate duplicates Z: 11 15.824 2.170 0.830 0.299 0.900 0.400 CB 1.753 11 residues pruned to eliminate duplicates Z: 32 13.349 1.902 0.504 0.364 0.774 0.484 CB 1.253 32 residues pruned to eliminate duplicates Z: 15 14.884 2.073 0.488 0.559 0.857 0.429 CB 1.421 15 residues pruned to eliminate duplicates Z: 14 16.384 2.133 0.483 0.491 0.846 0.462 CB 1.713 14 residues pruned to eliminate duplicates Z: 21 14.034 1.984 0.659 0.317 0.800 0.500 CB 1.458 21 residues pruned to eliminate duplicates Z: 16 16.883 2.015 0.669 0.472 0.867 0.333 CB 1.539 16 residues pruned to eliminate duplicates Z: 29 12.560 1.921 0.568 0.420 0.714 0.393 CB 1.199 29 residues pruned to eliminate duplicates Z: 30 10.483 1.926 0.456 0.315 0.655 0.276 CB 1.301 30 residues pruned to eliminate duplicates Z: 38 14.230 1.877 0.560 0.382 0.676 0.351 CB 1.340 38 residues pruned to eliminate duplicates Z: 22 15.749 1.918 0.547 0.572 0.762 0.429 CB 1.418 22 residues pruned to eliminate duplicates Z: 38 14.894 1.932 0.351 0.367 0.730 0.405 CB 1.482 38 residues pruned to eliminate duplicates Z: 18 12.794 1.885 0.784 0.458 0.765 0.412 CB 1.259 18 residues pruned to eliminate duplicates Z: 19 10.466 1.814 0.606 0.415 0.778 0.333 CB 1.190 19 residues pruned to eliminate duplicates Z: 14 14.408 1.942 0.727 0.523 0.846 0.692 CB 1.376 14 residues pruned to eliminate duplicates Z: 19 10.063 1.858 0.571 0.394 0.667 0.500 CB 1.363 19 residues pruned to eliminate duplicates Z: 28 17.910 1.969 0.648 0.467 0.778 0.481 CB 1.413 28 residues pruned to eliminate duplicates Z: 28 16.956 1.888 0.529 0.590 0.778 0.556 CB 1.333 28 residues pruned to eliminate duplicates Z: 16 10.551 1.937 0.698 0.455 0.733 0.467 CB 1.183 16 residues pruned to eliminate duplicates Z: 29 21.135 2.010 0.547 0.547 0.821 0.571 CB 1.493 29 residues pruned to eliminate duplicates Z: 11 14.951 1.977 0.341 0.665 1.000 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 23 16.256 1.905 0.596 0.540 0.773 0.500 CB 1.418 23 residues pruned to eliminate duplicates Z: 55 17.901 1.876 0.716 0.415 0.741 0.352 CB 1.116 55 residues pruned to eliminate duplicates Z: 24 14.332 1.816 0.611 0.490 0.826 0.478 CB 1.248 24 residues pruned to eliminate duplicates Z: 23 13.915 1.818 0.563 0.531 0.773 0.318 CB 1.310 23 residues pruned to eliminate duplicates Z: 28 18.261 1.832 0.748 0.568 0.815 0.593 CB 1.261 28 residues pruned to eliminate duplicates Z: 21 15.519 1.874 0.777 0.557 0.750 0.500 CB 1.314 21 residues pruned to eliminate duplicates Z: 45 23.172 1.963 0.608 0.470 0.818 0.545 CB 1.394 45 residues pruned to eliminate duplicates Z: 37 25.731 1.938 0.698 0.580 0.833 0.556 CB 1.448 37 residues pruned to eliminate duplicates Z: 25 20.389 1.899 0.694 0.615 0.875 0.500 CB 1.326 25 residues pruned to eliminate duplicates Z: 24 19.217 1.889 0.821 0.602 0.783 0.391 CB 1.351 24 residues pruned to eliminate duplicates Z: 47 23.707 1.899 0.726 0.478 0.783 0.370 CB 1.393 47 residues pruned to eliminate duplicates Z: 23 19.535 1.835 0.794 0.651 0.818 0.409 CB 1.343 23 residues pruned to eliminate duplicates Z: 7 4.293 1.992 0.111 0.252 0.833 0.333 CB 1.264 7 residues pruned to eliminate duplicates Z: 8 3.234 2.036 0.252 0.296 0.714 0.429 CB 0.844 8 residues pruned to eliminate duplicates Z: 14 4.917 1.930 0.284 0.154 0.769 0.385 CB 1.093 10 residues pruned to eliminate duplicates Z: 6 2.589 2.033 -0.274 0.319 0.800 0.400 CB 1.197 6 residues pruned to eliminate duplicates Z: 24 7.542 1.922 0.190 0.170 0.826 0.217 CB 1.242 15 residues pruned to eliminate duplicates Z: 16 13.625 1.770 0.379 0.744 1.000 0.867 CB 1.159 21 residues pruned to eliminate duplicates Z: 14 16.875 1.837 0.797 0.750 0.923 0.846 CB 1.229 19 residues pruned to eliminate duplicates Z: 8 10.778 1.845 0.754 0.786 1.000 0.429 CB 0.978 8 residues pruned to eliminate duplicates Z: 9 6.491 1.780 0.582 0.754 0.875 0.875 CB 0.743 9 residues pruned to eliminate duplicates Z: 9 6.761 1.739 0.340 0.740 0.750 0.375 CB 1.103 9 residues pruned to eliminate duplicates Z: 11 13.629 1.895 0.568 0.657 0.900 0.700 CB 1.393 12 residues pruned to eliminate duplicates Z: 10 7.491 1.771 1.058 0.784 0.778 0.222 CB 0.686 10 residues pruned to eliminate duplicates Z: 20 10.142 1.796 0.553 0.400 0.737 0.421 CB 1.257 11 residues pruned to eliminate duplicates Z: 11 8.893 1.713 0.651 0.814 0.900 0.800 CB 0.841 11 residues pruned to eliminate duplicates Z: 21 11.182 1.763 0.623 0.435 0.750 0.400 CB 1.247 21 residues pruned to eliminate duplicates Z: 13 7.082 1.865 0.526 0.398 0.583 0.333 CB 1.371 13 residues pruned to eliminate duplicates Z: 10 10.434 1.898 0.546 0.613 0.778 0.333 CB 1.370 10 residues pruned to eliminate duplicates Z: 19 14.910 1.928 0.731 0.489 0.778 0.278 CB 1.370 26 residues pruned to eliminate duplicates Z: 8 5.758 1.542 0.487 0.572 0.857 0.714 N 1.033 8 residues pruned to eliminate duplicates Z: 13 7.985 1.871 0.765 0.423 0.750 0.583 CB 1.008 13 residues pruned to eliminate duplicates Z: 8 3.412 1.919 0.679 0.386 0.571 0.429 CB 0.790 8 residues pruned to eliminate duplicates Z: 11 9.528 1.882 0.851 0.676 0.700 0.300 CB 1.051 11 residues pruned to eliminate duplicates Z: 21 13.884 1.882 0.630 0.561 0.850 0.200 CB 1.123 21 residues pruned to eliminate duplicates Z: 14 12.326 1.889 0.647 0.582 0.923 0.462 CB 1.101 14 residues pruned to eliminate duplicates Z: 13 18.857 1.991 0.848 0.603 0.917 0.583 CB 1.462 13 residues pruned to eliminate duplicates Z: 18 15.657 1.904 0.655 0.500 0.882 0.353 CB 1.366 18 residues pruned to eliminate duplicates Z: 27 20.999 1.884 0.716 0.561 0.885 0.500 CB 1.358 30 residues pruned to eliminate duplicates Z: 15 20.357 1.930 0.568 0.919 1.000 0.857 CB 1.267 15 residues pruned to eliminate duplicates Z: 13 12.952 1.736 0.706 0.574 0.917 0.500 O 1.283 13 residues pruned to eliminate duplicates Z: 29 21.636 1.910 0.733 0.645 0.857 0.500 CB 1.259 29 residues pruned to eliminate duplicates Z: 38 18.124 1.796 0.808 0.497 0.784 0.351 CB 1.175 38 residues pruned to eliminate duplicates Z: 13 8.028 1.856 0.535 0.394 0.750 0.250 CB 1.214 13 residues pruned to eliminate duplicates Z: 12 11.460 1.760 0.759 0.607 0.909 0.545 CB 1.109 10 residues pruned to eliminate duplicates Z: 14 27.607 1.963 1.033 0.920 1.000 0.846 CB 1.351 14 residues pruned to eliminate duplicates Z: 7 4.681 1.646 0.348 0.678 0.833 0.500 CB 0.878 7 residues pruned to eliminate duplicates Z: 8 5.185 1.669 0.899 0.529 0.714 0.429 CB 0.842 8 residues pruned to eliminate duplicates Z: 14 6.163 1.564 0.663 0.276 0.692 0.308 CB 1.224 12 residues pruned to eliminate duplicates Z: 12 10.105 1.546 0.378 0.874 1.000 0.818 CB 1.041 12 residues pruned to eliminate duplicates Z: 9 5.392 1.653 0.172 0.626 0.750 0.500 CB 1.165 9 residues pruned to eliminate duplicates Z: 12 9.262 1.594 0.444 0.709 0.909 0.545 CB 1.104 12 residues pruned to eliminate duplicates Z: 10 7.543 1.641 0.680 0.578 0.889 0.667 CB 0.952 10 residues pruned to eliminate duplicates Z: 10 5.078 1.634 0.440 0.560 0.778 0.556 CB 0.873 10 residues pruned to eliminate duplicates Z: 28 12.517 1.612 0.620 0.574 0.889 0.630 CB 0.966 28 residues pruned to eliminate duplicates Z: 14 8.494 1.574 0.731 0.650 0.769 0.462 CB 0.977 14 residues pruned to eliminate duplicates 846 residues left after pruning, divided into chains as follows: A: 9 B: 28 C: 11 D: 13 E: 7 F: 9 G: 10 H: 6 I: 7 J: 13 K: 6 L: 12 M: 9 N: 16 O: 25 P: 12 Q: 10 R: 7 S: 19 T: 17 U: 19 V: 40 W: 13 X: 9 Y: 11 Z: 11 Z: 11 Z: 36 Z: 18 Z: 61 Z: 23 Z: 12 Z: 11 Z: 9 Z: 25 Z: 15 Z: 41 Z: 14 Z: 22 Z: 14 Z: 65 Z: 31 Z: 57 Z: 32 CC for partial structure against native data = 31.36 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 5 used as input for final density modification = 0.300, Contrast = 0.530, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.615, Connect. = 0.741 for dens.mod. cycle 2 = 0.300, Contrast = 0.714, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.732, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.745, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.752, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.756, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.759, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.760, Connect. = 0.776 for dens.mod. cycle 9 TimeTaking 152.78