null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:37:17 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: ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.ins Phases from ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phi Native data from ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.hkl Listing output to ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.lst Phases output to ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phs Poly-Ala trace output to ./2ash-2.1-parrot-noncs/2ash-2.1-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: C 1 2 1 Allowed origin shift code: 3 100148 Reflections read from file ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phi 100148 Reflections read from file ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.hkl 100148 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000048h^2 -0.000083k^2 +0.000019l^2 +0.000000kl +0.000049hl +0.000000hk 66 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 90 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.766 = 0.170, Contrast = 0.111, Connect. = 0.625 for dens.mod. cycle 1 = 0.178, Contrast = 0.263, Connect. = 0.642 for dens.mod. cycle 2 = 0.191, Contrast = 0.366, Connect. = 0.691 for dens.mod. cycle 3 = 0.207, Contrast = 0.449, Connect. = 0.720 for dens.mod. cycle 4 = 0.225, Contrast = 0.502, Connect. = 0.732 for dens.mod. cycle 5 = 0.246, Contrast = 0.543, Connect. = 0.738 for dens.mod. cycle 6 = 0.263, Contrast = 0.568, Connect. = 0.739 for dens.mod. cycle 7 = 0.275, Contrast = 0.586, Connect. = 0.740 for dens.mod. cycle 8 = 0.280, Contrast = 0.597, Connect. = 0.742 for dens.mod. cycle 9 = 0.285, Contrast = 0.606, Connect. = 0.745 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 9542 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1639 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 4.907 1.832 0.357 0.321 1.000 0.333 CB 0.981 B: 7 8.009 1.840 0.362 0.692 0.833 0.667 N 1.313 C: 6 6.399 1.985 0.875 0.645 0.600 0.600 CA 1.119 6 residues pruned to eliminate duplicates D: 9 7.680 1.702 0.700 0.283 0.875 0.625 CB 1.369 E: 9 5.108 1.691 0.452 0.254 0.750 0.500 CB 1.300 F: 7 4.589 1.777 0.650 0.281 0.667 0.333 CA 1.227 6 residues pruned to eliminate duplicates G: 13 14.199 1.586 0.831 0.827 0.917 0.833 CB 1.161 H: 11 13.764 1.761 0.391 0.895 1.000 0.800 CA 1.273 I: 11 20.024 1.925 0.731 0.865 0.900 0.900 CB 1.547 10 residues pruned to eliminate duplicates J: 9 6.818 1.691 0.703 0.425 0.750 0.500 CB 1.206 K: 7 4.332 1.497 0.752 0.480 0.833 0.500 CB 0.826 L: 13 22.802 1.751 0.952 0.866 1.000 0.750 CB 1.410 13 residues pruned to eliminate duplicates M: 12 15.761 1.590 0.889 0.760 0.909 0.636 O 1.382 12 residues pruned to eliminate duplicates N: 8 8.055 1.623 0.696 0.785 0.857 0.714 CB 1.004 O: 10 10.613 1.611 0.703 0.801 0.889 0.556 CB 1.115 P: 11 21.114 1.934 0.842 0.919 1.000 1.000 CB 1.321 11 residues pruned to eliminate duplicates Q: 12 19.339 1.803 0.646 0.860 1.000 0.727 CA 1.444 12 residues pruned to eliminate duplicates R: 11 6.731 1.532 0.309 0.757 0.800 0.700 CB 1.056 S: 8 8.601 1.831 0.393 0.792 0.857 0.714 CB 1.151 T: 9 10.468 1.570 0.820 0.785 1.000 0.750 CB 1.008 8 residues pruned to eliminate duplicates U: 8 2.909 1.397 0.220 0.292 0.714 0.429 CA 1.140 V: 14 16.511 1.610 0.540 0.916 1.000 0.769 CB 1.304 W: 9 12.895 1.625 0.983 0.821 0.875 0.875 N 1.225 11 residues pruned to eliminate duplicates X: 12 25.387 1.871 0.995 0.904 1.000 0.909 CB 1.461 12 residues pruned to eliminate duplicates Y: 12 26.503 1.905 0.998 0.872 1.000 0.818 CB 1.531 12 residues pruned to eliminate duplicates Z: 12 12.258 1.719 0.387 0.801 0.909 0.636 CB 1.312 8 residues pruned to eliminate duplicates Z: 6 5.262 1.712 0.182 0.800 0.800 0.400 CB 1.118 6 residues pruned to eliminate duplicates Z: 10 9.149 1.769 0.445 0.456 0.889 0.667 CB 1.404 Z: 27 14.090 1.712 0.818 0.485 0.769 0.577 CB 1.171 18 residues pruned to eliminate duplicates Z: 7 12.753 1.710 0.792 0.888 1.000 0.833 CA 1.224 Z: 10 11.508 1.446 0.918 0.902 1.000 1.000 CB 0.986 10 residues pruned to eliminate duplicates Z: 17 7.641 1.434 0.206 0.663 0.750 0.500 CA 1.266 18 residues pruned to eliminate duplicates Z: 6 11.727 1.677 0.889 0.868 1.000 1.000 CA 1.210 6 residues pruned to eliminate duplicates Z: 6 2.912 1.665 0.167 0.364 0.800 0.400 CA 0.970 Z: 7 2.610 1.622 0.453 0.249 0.500 0.500 O 1.206 Z: 10 14.202 1.514 0.901 0.883 1.000 0.889 CB 1.189 9 residues pruned to eliminate duplicates Z: 9 11.930 1.554 0.700 0.876 1.000 0.750 CB 1.160 9 residues pruned to eliminate duplicates Z: 6 4.247 1.570 0.397 0.720 0.600 0.400 N 1.183 Z: 8 3.150 1.415 0.730 0.259 0.714 0.429 N 0.896 Z: 15 15.637 1.466 0.889 0.903 1.000 0.571 N 1.076 9 residues pruned to eliminate duplicates Z: 15 15.202 1.589 0.470 0.906 0.929 0.786 CB 1.332 14 residues pruned to eliminate duplicates Z: 12 21.148 1.865 1.118 0.778 0.909 0.727 CB 1.389 12 residues pruned to eliminate duplicates Z: 8 3.105 1.750 0.456 0.270 0.714 0.429 CB 0.837 Z: 7 2.277 1.581 0.500 0.656 0.667 0.333 CB 0.508 Z: 17 5.507 1.759 0.350 0.450 0.812 0.562 CB 0.751 Z: 13 16.461 1.673 0.486 0.909 1.000 0.917 O 1.356 Z: 13 8.402 1.567 0.105 0.776 0.917 0.667 CB 1.198 12 residues pruned to eliminate duplicates Z: 17 7.466 1.540 0.228 0.553 0.750 0.562 O 1.250 Z: 12 4.448 1.530 0.466 0.303 0.636 0.364 CB 1.170 12 residues pruned to eliminate duplicates Z: 11 11.019 1.656 0.448 0.898 0.900 0.900 CB 1.155 7 residues pruned to eliminate duplicates Z: 6 7.625 1.621 0.372 0.811 1.000 0.600 N 1.169 Z: 10 3.506 1.371 0.681 0.211 0.667 0.222 CB 1.069 Z: 7 7.481 1.496 0.505 0.705 1.000 0.667 N 1.125 Z: 12 13.726 1.645 0.504 0.905 1.000 1.000 O 1.191 12 residues pruned to eliminate duplicates Z: 11 5.428 1.699 0.441 0.290 0.800 0.400 CA 1.109 Z: 6 5.196 1.433 0.255 0.880 1.000 0.600 O 0.936 Z: 12 10.866 1.541 0.419 0.741 1.000 0.455 CB 1.206 11 residues pruned to eliminate duplicates Z: 11 12.467 1.601 0.490 0.848 1.000 0.800 O 1.226 12 residues pruned to eliminate duplicates Z: 11 15.680 1.708 0.724 0.832 1.000 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 11 11.854 1.583 0.511 0.868 1.000 0.900 O 1.146 11 residues pruned to eliminate duplicates Z: 6 3.479 1.573 0.523 0.393 0.800 0.800 CB 0.910 Z: 16 7.322 1.469 0.444 0.450 1.000 0.600 CB 0.938 Z: 7 5.282 1.575 0.382 0.865 1.000 0.667 CB 0.726 Z: 9 6.672 1.455 0.285 0.842 0.875 0.750 CB 1.075 Z: 6 5.711 1.605 0.879 0.363 1.000 0.600 CB 0.981 Z: 7 4.579 1.607 0.116 0.411 0.833 0.500 CA 1.374 Z: 8 6.588 1.319 0.546 0.807 1.000 0.571 O 0.934 Z: 9 7.415 1.540 0.519 0.785 0.750 0.625 O 1.163 6 residues pruned to eliminate duplicates Z: 12 15.774 1.696 0.513 0.902 1.000 0.727 CB 1.322 12 residues pruned to eliminate duplicates 6 1.842 1.558 0.507 0.746 0.800 0.800 CB 0.352 ? Z: 7 5.909 1.443 0.438 0.812 1.000 0.667 CB 0.886 Z: 12 14.172 1.768 0.741 0.510 0.909 0.636 CB 1.512 12 residues pruned to eliminate duplicates Z: 12 11.604 1.428 0.783 0.811 0.909 0.545 CB 1.153 Z: 6 4.217 1.280 0.592 0.838 1.000 1.000 CB 0.692 Z: 6 4.917 1.559 0.760 0.658 0.800 0.600 CB 0.865 Z: 10 5.390 1.669 0.406 0.617 0.778 0.556 CB 0.881 10 residues pruned to eliminate duplicates Z: 7 4.325 1.872 0.627 0.247 0.833 0.500 N 0.931 Z: 14 18.863 1.684 0.813 0.924 0.923 0.846 CA 1.303 13 residues pruned to eliminate duplicates Z: 11 9.431 1.761 0.356 0.736 0.800 0.700 O 1.263 11 residues pruned to eliminate duplicates Z: 7 4.996 1.878 0.764 0.281 0.833 0.500 CB 0.946 Z: 15 12.364 1.681 0.711 0.553 0.929 0.643 CB 1.175 18 residues pruned to eliminate duplicates Z: 11 7.194 1.530 0.309 0.792 0.800 0.800 CB 1.099 11 residues pruned to eliminate duplicates Z: 15 9.897 1.437 0.334 0.853 0.857 0.714 CB 1.190 15 residues pruned to eliminate duplicates Z: 9 11.232 1.592 0.707 0.857 0.875 0.625 N 1.230 9 residues pruned to eliminate duplicates Z: 11 19.600 1.890 1.014 0.845 0.900 0.300 CB 1.345 11 residues pruned to eliminate duplicates Z: 6 2.058 1.452 0.493 0.299 0.600 0.600 C 0.886 Z: 13 15.069 1.600 0.680 0.783 1.000 0.417 CB 1.261 15 residues pruned to eliminate duplicates Z: 19 13.336 1.525 0.366 0.835 0.944 0.778 CB 1.197 19 residues pruned to eliminate duplicates Z: 13 23.879 1.743 1.123 0.873 1.000 0.750 CB 1.357 13 residues pruned to eliminate duplicates Z: 17 11.090 1.675 0.384 0.530 0.938 0.688 CB 1.238 Z: 9 13.694 1.761 0.430 0.874 1.000 0.750 CB 1.400 Z: 6 5.559 1.654 -0.105 0.813 1.000 1.000 O 1.279 Z: 7 4.082 1.514 0.414 0.486 1.000 0.333 CB 0.790 Z: 8 2.709 1.193 0.938 0.212 0.714 0.571 O 0.870 Z: 10 5.385 1.560 0.516 0.422 0.667 0.444 N 1.235 9 residues pruned to eliminate duplicates Z: 6 2.108 1.525 0.571 0.423 0.800 0.200 CB 0.533 Z: 6 8.965 1.463 0.866 0.820 1.000 0.800 CB 1.113 Z: 7 4.818 1.716 0.565 0.501 0.833 0.833 CB 0.878 Z: 7 2.817 1.404 0.348 0.470 0.667 0.333 CB 0.940 7 residues pruned to eliminate duplicates Z: 12 7.957 1.408 0.265 0.902 1.000 0.909 CB 0.961 6 residues pruned to eliminate duplicates Z: 10 4.134 1.547 0.945 0.270 0.667 0.444 CB 0.892 Z: 12 14.482 1.686 0.435 0.916 1.000 0.727 CB 1.274 13 residues pruned to eliminate duplicates Z: 8 9.074 1.542 0.475 0.793 1.000 0.714 CB 1.166 Z: 8 6.659 1.452 0.597 0.836 0.857 0.286 CB 0.947 5 residues pruned to eliminate duplicates Z: 7 9.217 1.789 0.659 0.676 0.833 0.500 CB 1.294 7 residues pruned to eliminate duplicates Z: 8 2.778 1.434 0.552 0.329 0.571 0.286 CB 0.996 Z: 6 3.794 1.653 0.520 0.687 1.000 0.600 CB 0.569 6 residues pruned to eliminate duplicates Z: 6 9.638 1.831 0.528 0.579 1.000 1.000 CA 1.429 Z: 9 5.560 1.400 0.604 0.820 0.625 0.375 CB 1.061 8 residues pruned to eliminate duplicates Z: 15 6.261 1.600 0.489 0.316 0.786 0.500 CB 1.094 7 residues pruned to eliminate duplicates Z: 7 3.537 1.486 0.073 0.487 0.833 0.500 CB 1.101 Z: 9 3.394 1.404 0.330 0.353 0.750 0.625 N 1.004 Z: 20 16.593 1.546 0.495 0.907 1.000 0.737 CB 1.171 6 residues pruned to eliminate duplicates Z: 10 5.335 1.455 0.419 0.228 1.000 0.333 O 1.184 7 residues pruned to eliminate duplicates Z: 11 7.006 1.463 0.595 0.852 0.900 0.600 CB 0.781 Z: 11 11.667 1.512 0.692 0.824 1.000 0.400 N 1.089 11 residues pruned to eliminate duplicates Z: 12 9.364 1.600 0.324 0.834 0.909 0.636 CB 1.099 Z: 9 4.481 1.477 0.050 0.835 0.875 0.625 CB 0.875 9 residues pruned to eliminate duplicates Z: 16 18.881 1.569 0.661 0.873 1.000 0.867 CB 1.363 14 residues pruned to eliminate duplicates Z: 6 7.534 1.518 0.708 0.807 1.000 0.600 O 0.994 Z: 16 23.062 1.909 0.905 0.656 0.933 0.533 CB 1.518 12 residues pruned to eliminate duplicates Z: 9 13.400 1.577 0.969 0.842 0.875 0.750 CB 1.299 9 residues pruned to eliminate duplicates Z: 8 4.261 1.435 0.809 0.447 0.714 0.714 N 0.917 8 residues pruned to eliminate duplicates Z: 9 8.930 1.567 0.360 0.788 1.000 0.750 CB 1.150 7 residues pruned to eliminate duplicates Z: 7 2.239 1.588 0.070 0.083 0.667 0.500 CB 1.383 Z: 9 5.418 1.621 0.849 0.405 0.625 0.625 CA 1.130 Z: 7 4.392 1.478 0.077 0.721 1.000 0.500 CB 0.922 Z: 6 8.322 1.525 0.488 0.870 1.000 0.800 CB 1.197 5 residues pruned to eliminate duplicates Z: 12 15.104 1.678 0.552 0.881 0.909 0.818 N 1.392 12 residues pruned to eliminate duplicates 6 1.367 1.384 0.196 0.100 0.800 0.400 N 0.769 ? Z: 6 5.784 1.634 0.487 0.789 1.000 1.000 CB 0.826 7 residues pruned to eliminate duplicates Z: 7 4.230 1.381 0.407 0.581 0.833 0.667 N 0.987 Z: 18 10.780 1.713 0.443 0.492 0.765 0.529 CB 1.394 18 residues pruned to eliminate duplicates Z: 13 15.122 1.685 0.448 0.876 1.000 0.833 CB 1.300 12 residues pruned to eliminate duplicates Z: 14 3.252 1.550 0.516 0.292 0.615 0.231 CB 0.787 Z: 6 4.136 1.262 0.297 0.798 1.000 0.800 N 0.871 6 residues pruned to eliminate duplicates Z: 7 7.631 1.529 0.404 0.872 1.000 0.833 CB 1.058 6 residues pruned to eliminate duplicates 6 1.921 1.486 0.224 0.472 0.600 0.600 CB 0.810 ? Z: 6 2.263 1.302 0.568 0.280 0.600 0.400 O 1.060 Z: 6 2.715 1.467 0.293 0.295 0.800 0.600 O 1.007 Z: 15 17.851 1.592 0.606 0.879 1.000 0.500 O 1.354 13 residues pruned to eliminate duplicates Z: 7 6.537 1.352 0.546 0.832 0.833 0.667 CB 1.150 Z: 11 7.452 1.439 0.653 0.765 0.900 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 12 17.207 1.721 0.603 0.912 1.000 0.727 CB 1.332 14 residues pruned to eliminate duplicates Z: 7 4.178 1.430 0.268 0.821 0.833 0.667 CB 0.854 7 residues pruned to eliminate duplicates Z: 6 4.566 1.456 0.534 0.836 1.000 0.800 CB 0.684 Z: 8 7.209 1.642 0.043 0.838 1.000 1.000 CB 1.189 Z: 6 5.261 1.304 0.485 0.816 1.000 0.800 CA 0.923 Z: 6 6.717 1.616 0.507 0.774 1.000 0.600 CB 0.968 Z: 9 5.961 1.394 0.670 0.417 0.875 0.500 O 1.128 9 residues pruned to eliminate duplicates Z: 13 9.726 1.435 0.441 0.865 0.917 0.917 O 1.085 Z: 7 8.568 1.550 0.500 0.779 1.000 0.667 CB 1.177 7 residues pruned to eliminate duplicates Z: 6 4.375 1.271 0.657 0.389 1.000 0.600 CA 1.045 Z: 6 4.801 1.511 0.409 0.847 1.000 0.800 CB 0.748 6 residues pruned to eliminate duplicates Z: 8 4.998 1.923 0.945 0.245 0.571 0.429 CB 1.187 Z: 11 9.860 1.434 0.557 0.728 0.900 0.600 N 1.263 Z: 13 6.715 1.530 0.007 0.890 0.917 0.833 CB 0.987 Z: 13 8.532 1.505 0.406 0.589 0.833 0.500 CB 1.282 9 residues pruned to eliminate duplicates Z: 6 3.135 1.495 0.027 0.321 1.000 0.400 CB 1.112 6 1.993 1.336 0.218 0.312 0.800 0.400 CA 0.843 ? Z: 7 4.487 1.528 0.540 0.802 0.667 0.667 CB 0.897 7 residues pruned to eliminate duplicates Z: 19 14.912 1.751 0.732 0.547 0.833 0.667 CB 1.329 19 residues pruned to eliminate duplicates Z: 13 10.959 1.608 0.261 0.840 0.917 0.917 CB 1.269 13 residues pruned to eliminate duplicates Z: 6 6.406 1.638 0.115 0.864 1.000 0.800 CB 1.150 Z: 9 6.460 1.664 0.100 0.806 1.000 0.625 CB 0.956 Z: 6 3.364 1.486 0.438 0.298 0.800 0.400 CA 1.102 Z: 7 8.476 1.680 0.884 0.648 0.833 0.667 CB 1.143 6 residues pruned to eliminate duplicates Z: 7 2.624 1.475 1.178 0.330 0.667 0.333 CB 0.602 Z: 8 9.540 1.713 0.621 0.590 1.000 1.000 CB 1.192 Z: 6 7.812 1.612 0.448 0.824 1.000 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 15 20.157 1.635 0.766 0.887 1.000 0.714 CA 1.345 16 residues pruned to eliminate duplicates Z: 6 6.547 1.524 0.411 0.623 1.000 0.600 N 1.212 Z: 11 6.899 1.450 0.559 0.843 0.800 0.700 CB 0.899 6 residues pruned to eliminate duplicates Z: 6 2.435 1.442 0.854 0.228 0.600 0.400 CB 0.933 Z: 9 2.855 1.312 0.435 0.296 0.750 0.500 CA 0.899 Z: 8 8.269 1.518 0.396 0.737 0.857 0.571 CA 1.391 8 residues pruned to eliminate duplicates Z: 8 6.949 1.517 0.552 0.892 1.000 0.571 CB 0.801 8 residues pruned to eliminate duplicates Z: 7 10.763 1.832 0.488 0.861 1.000 0.833 CB 1.184 7 residues pruned to eliminate duplicates Z: 11 12.728 1.752 0.789 0.783 0.800 0.800 CA 1.251 11 residues pruned to eliminate duplicates Z: 7 4.365 1.534 0.570 0.606 0.667 0.667 N 1.004 7 residues pruned to eliminate duplicates Z: 10 11.349 1.684 0.393 0.864 0.889 0.889 CA 1.330 10 residues pruned to eliminate duplicates Z: 7 6.511 1.613 0.580 0.720 1.000 0.667 CA 0.854 Z: 9 2.858 1.601 0.099 0.396 0.875 0.875 CB 0.732 7 residues pruned to eliminate duplicates Z: 11 10.877 1.660 0.448 0.829 0.800 0.800 N 1.346 11 residues pruned to eliminate duplicates Z: 8 8.609 1.590 0.185 0.884 1.000 0.857 CB 1.248 8 residues pruned to eliminate duplicates Z: 9 6.418 1.486 0.520 0.786 0.875 0.500 CB 0.893 Z: 8 3.992 1.486 0.340 0.398 0.857 0.286 O 0.984 Z: 14 9.792 1.512 0.531 0.802 0.923 0.769 O 0.976 Z: 8 10.724 1.565 0.531 0.810 1.000 0.714 CB 1.292 8 residues pruned to eliminate duplicates Z: 7 9.535 1.651 0.392 0.841 1.000 0.667 CB 1.263 7 residues pruned to eliminate duplicates Z: 13 13.187 1.581 0.352 0.866 1.000 0.917 CA 1.304 13 residues pruned to eliminate duplicates Z: 7 10.634 1.782 0.599 0.847 1.000 0.833 CB 1.131 7 residues pruned to eliminate duplicates Z: 7 3.332 1.724 0.218 0.491 0.833 0.667 CB 0.784 Z: 14 5.928 1.545 0.624 0.490 0.769 0.538 N 0.861 14 residues pruned to eliminate duplicates Z: 11 8.778 1.626 0.387 0.825 0.700 0.500 CB 1.327 11 residues pruned to eliminate duplicates Z: 14 5.117 1.521 0.197 0.403 0.769 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 8 7.780 1.611 0.501 0.544 1.000 0.714 O 1.165 8 residues pruned to eliminate duplicates Z: 10 5.545 1.472 0.623 0.432 0.778 0.667 N 1.067 Z: 8 3.165 1.389 0.072 0.342 0.857 0.429 CB 1.114 7 residues pruned to eliminate duplicates Z: 7 8.425 1.498 0.564 0.872 1.000 0.667 CB 1.070 6 residues pruned to eliminate duplicates Z: 7 4.400 1.513 0.053 0.408 1.000 0.333 N 1.241 Z: 6 2.603 1.636 0.068 0.633 1.000 0.600 CB 0.588 Z: 9 6.422 1.656 0.079 0.675 0.875 0.500 CB 1.236 8 residues pruned to eliminate duplicates Z: 7 5.937 1.671 0.087 0.703 1.000 1.000 CA 1.110 5 residues pruned to eliminate duplicates Z: 7 5.276 1.625 0.672 0.586 0.833 0.500 CB 0.876 7 residues pruned to eliminate duplicates Z: 8 2.952 1.430 0.654 0.424 0.571 0.571 CB 0.894 Z: 8 10.350 1.648 0.780 0.875 1.000 0.714 CB 0.969 8 residues pruned to eliminate duplicates Z: 8 5.009 1.492 0.116 0.797 0.857 0.714 CB 1.023 8 residues pruned to eliminate duplicates Z: 12 22.258 1.855 0.645 0.913 1.000 1.000 CA 1.557 12 residues pruned to eliminate duplicates Z: 8 6.329 1.493 0.184 0.875 1.000 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 14 14.968 1.529 0.664 0.840 0.923 0.692 CB 1.319 14 residues pruned to eliminate duplicates Z: 7 4.195 1.529 0.537 0.863 0.833 0.833 CB 0.642 7 residues pruned to eliminate duplicates Z: 14 19.089 1.709 0.611 0.874 1.000 0.615 O 1.399 6 residues pruned to eliminate duplicates Z: 6 6.620 1.525 0.558 0.855 1.000 1.000 CB 0.920 6 residues pruned to eliminate duplicates Z: 7 3.831 1.474 0.151 0.676 0.833 0.833 N 0.941 7 residues pruned to eliminate duplicates Z: 6 6.898 1.541 0.883 0.616 0.800 0.800 N 1.191 Z: 9 6.766 1.441 0.358 0.871 1.000 0.750 CB 0.892 6 residues pruned to eliminate duplicates Z: 9 3.547 1.468 0.592 0.245 0.625 0.250 CB 1.152 Z: 8 11.575 1.686 0.402 0.859 1.000 0.857 O 1.361 8 residues pruned to eliminate duplicates Z: 15 16.515 1.593 0.700 0.878 1.000 0.786 CB 1.183 15 residues pruned to eliminate duplicates Z: 9 2.004 1.381 0.343 0.276 0.625 0.250 CB 0.788 Z: 8 5.634 1.702 0.365 0.424 0.857 0.714 CB 1.157 7 1.745 1.872 -0.124 0.338 0.667 0.500 CB 0.778 ? Z: 13 3.319 1.554 0.250 0.244 0.667 0.250 CB 0.994 6 residues pruned to eliminate duplicates Z: 7 2.460 1.410 0.097 0.368 0.833 0.667 N 0.897 Z: 6 4.431 1.457 0.322 0.587 1.000 0.400 CB 0.947 Z: 6 3.362 1.506 0.478 0.244 0.800 0.400 CA 1.134 Z: 6 4.125 1.247 0.050 0.817 1.000 0.800 O 1.070 Z: 6 2.408 1.189 0.509 0.485 0.800 0.400 N 0.762 Z: 13 8.489 1.537 0.341 0.859 0.833 0.833 CB 1.050 13 residues pruned to eliminate duplicates Z: 12 8.968 1.387 0.613 0.849 1.000 0.818 CB 0.896 9 residues pruned to eliminate duplicates Z: 7 7.996 1.672 0.566 0.675 0.833 0.333 N 1.274 6 residues pruned to eliminate duplicates 6 0.938 1.136 -0.150 0.352 0.600 0.400 CA 0.850 ? Z: 23 13.401 1.693 0.470 0.439 0.955 0.500 CB 1.281 24 residues pruned to eliminate duplicates Z: 11 7.292 1.578 0.206 0.775 0.900 0.600 CB 1.056 11 residues pruned to eliminate duplicates Z: 15 15.413 1.641 0.634 0.761 0.857 0.500 O 1.421 20 residues pruned to eliminate duplicates Z: 10 10.674 1.604 0.609 0.815 1.000 0.889 CB 1.049 10 residues pruned to eliminate duplicates Z: 11 15.210 1.642 0.672 0.870 1.000 0.800 CB 1.279 11 residues pruned to eliminate duplicates Z: 7 3.976 1.215 0.615 0.835 0.667 0.333 N 0.930 Z: 11 9.579 1.742 0.088 0.777 1.000 0.500 O 1.252 11 residues pruned to eliminate duplicates Z: 6 2.615 1.569 0.415 0.116 0.800 0.200 CB 1.068 Z: 11 6.033 1.358 0.660 0.829 0.700 0.400 N 0.910 Z: 9 4.677 1.343 0.458 0.518 0.875 0.750 CB 0.947 9 residues pruned to eliminate duplicates Z: 9 3.378 1.531 0.514 0.229 0.625 0.125 N 1.130 Z: 11 9.169 1.417 0.608 0.797 0.900 0.800 CB 1.090 14 residues pruned to eliminate duplicates Z: 8 4.295 1.516 0.560 0.270 0.714 0.429 N 1.248 Z: 10 8.182 1.387 0.443 0.816 1.000 0.778 CB 1.035 10 residues pruned to eliminate duplicates Z: 14 4.092 1.614 0.485 0.182 0.615 0.385 CB 1.127 12 residues pruned to eliminate duplicates Z: 11 13.707 1.603 0.506 0.815 1.000 0.700 CB 1.366 11 residues pruned to eliminate duplicates Z: 13 15.736 1.684 0.413 0.905 1.000 0.667 CB 1.359 13 residues pruned to eliminate duplicates 6 1.770 1.211 0.322 0.372 0.800 0.400 CB 0.709 ? Z: 10 10.190 1.593 0.313 0.878 1.000 0.778 CB 1.179 10 residues pruned to eliminate duplicates Z: 8 9.748 1.657 0.334 0.865 1.000 1.000 CB 1.221 8 residues pruned to eliminate duplicates Z: 6 6.591 1.477 0.490 0.622 1.000 0.800 O 1.193 6 residues pruned to eliminate duplicates Z: 9 8.351 1.486 0.417 0.885 0.875 0.750 CA 1.157 6 residues pruned to eliminate duplicates Z: 8 7.470 1.714 0.428 0.499 1.000 0.857 CB 1.155 8 residues pruned to eliminate duplicates Z: 9 7.895 1.560 0.382 0.551 1.000 0.375 CB 1.233 6 residues pruned to eliminate duplicates Z: 11 7.913 1.664 0.133 0.650 0.900 0.700 O 1.281 11 residues pruned to eliminate duplicates Z: 14 15.056 1.655 0.448 0.862 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 8 3.937 1.460 0.538 0.408 0.714 0.571 CB 1.022 Z: 9 5.289 1.792 0.047 0.250 0.875 0.625 CB 1.518 16 residues pruned to eliminate duplicates Z: 9 3.241 1.384 0.703 0.272 0.625 0.250 CB 1.007 Z: 14 16.110 1.666 0.653 0.882 1.000 0.769 CB 1.174 13 residues pruned to eliminate duplicates 6 1.260 1.355 -0.021 0.302 0.800 0.600 CB 0.662 ? Z: 8 7.562 1.561 0.513 0.892 1.000 1.000 CB 0.869 8 residues pruned to eliminate duplicates 6 1.317 1.472 -0.302 0.489 1.000 0.600 CB 0.580 ? Z: 9 9.633 1.587 0.296 0.878 1.000 0.875 CB 1.202 9 residues pruned to eliminate duplicates Z: 8 4.707 1.410 0.250 0.737 0.857 0.714 CB 0.952 8 residues pruned to eliminate duplicates 8 1.950 1.257 0.408 0.216 0.714 0.429 C 0.814 ? Z: 8 9.673 1.684 0.528 0.805 1.000 0.429 CB 1.089 7 residues pruned to eliminate duplicates Z: 6 4.751 1.502 0.466 0.732 0.800 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 8 2.296 1.261 0.303 0.539 0.714 0.429 CB 0.711 Z: 7 3.558 1.289 0.341 0.765 0.667 0.667 CB 0.996 7 residues pruned to eliminate duplicates Z: 16 7.036 1.404 0.548 0.453 0.867 0.467 CB 1.012 16 residues pruned to eliminate duplicates Z: 6 4.482 1.272 0.193 0.881 1.000 1.000 CB 0.956 Z: 6 8.926 1.678 0.500 0.860 1.000 0.400 CB 1.166 6 residues pruned to eliminate duplicates Z: 8 3.834 1.493 0.489 0.404 0.857 0.571 CA 0.841 Z: 11 5.756 1.448 0.348 0.717 0.900 0.600 CB 0.851 11 residues pruned to eliminate duplicates Z: 8 2.980 1.420 0.316 0.351 0.571 0.571 O 1.239 Z: 8 4.763 1.392 0.556 0.501 0.857 0.571 CB 0.968 Z: 8 8.890 1.572 0.744 0.505 1.000 0.286 CB 1.219 5 residues pruned to eliminate duplicates Z: 6 2.289 1.367 0.163 0.465 0.600 0.600 N 1.112 Z: 8 4.022 1.416 0.368 0.434 1.000 0.714 CB 0.840 Z: 8 4.255 1.367 0.444 0.646 0.714 0.429 O 0.995 8 residues pruned to eliminate duplicates 6 1.822 1.301 0.239 0.326 0.800 0.400 CB 0.765 ? Z: 9 6.227 1.642 0.704 0.708 0.750 0.375 CB 0.869 9 residues pruned to eliminate duplicates Z: 9 2.874 1.565 -0.020 0.427 0.750 0.625 CB 0.953 Z: 11 6.581 1.460 0.610 0.709 0.800 0.300 CB 0.916 10 residues pruned to eliminate duplicates Z: 10 2.873 1.477 0.409 0.232 0.556 0.333 O 1.131 Z: 6 2.685 1.325 0.547 0.289 0.800 0.800 N 0.928 Z: 6 3.624 1.149 0.720 0.616 1.000 0.800 CB 0.735 Z: 6 6.248 1.468 0.766 0.881 1.000 0.800 CB 0.780 Z: 6 2.705 1.365 0.103 0.790 1.000 0.600 CB 0.623 6 residues pruned to eliminate duplicates Z: 10 7.863 1.396 0.548 0.777 1.000 0.667 CB 0.950 9 residues pruned to eliminate duplicates Z: 8 2.647 1.325 0.130 0.441 0.714 0.429 O 0.994 Z: 7 3.075 1.458 0.334 0.260 0.833 0.500 CB 1.019 Z: 9 5.608 1.503 -0.072 0.807 1.000 0.750 CB 1.088 9 residues pruned to eliminate duplicates Z: 12 5.113 1.580 0.374 0.277 0.818 0.636 CB 1.117 7 residues pruned to eliminate duplicates Z: 10 4.824 1.609 0.459 0.362 0.667 0.556 N 1.193 Z: 6 4.176 1.495 0.425 0.810 0.600 0.600 N 1.115 6 residues pruned to eliminate duplicates Z: 9 2.456 1.587 -0.209 0.401 0.625 0.375 CA 1.229 9 residues pruned to eliminate duplicates 8 1.601 1.360 0.287 0.263 0.571 0.429 CB 0.794 ? Z: 6 3.627 1.242 0.751 0.626 0.800 0.800 N 0.828 Z: 9 4.360 1.585 0.085 0.398 0.750 0.500 CB 1.332 Z: 7 5.884 1.491 0.462 0.858 1.000 0.833 CB 0.812 7 residues pruned to eliminate duplicates Z: 8 9.061 1.516 0.697 0.721 0.857 0.714 O 1.271 8 residues pruned to eliminate duplicates Z: 15 10.929 1.589 0.092 0.817 0.929 0.714 CA 1.377 14 residues pruned to eliminate duplicates Z: 13 11.707 1.414 0.666 0.856 1.000 0.667 N 1.058 21 residues pruned to eliminate duplicates Z: 9 8.351 1.447 0.499 0.810 0.875 0.750 O 1.188 9 residues pruned to eliminate duplicates Z: 15 7.711 1.465 0.408 0.524 0.786 0.571 CA 1.242 13 residues pruned to eliminate duplicates 6 1.336 1.156 -0.107 0.408 0.800 0.400 CB 0.796 ? Z: 7 4.046 1.462 0.678 0.735 0.833 0.500 O 0.654 7 residues pruned to eliminate duplicates Z: 6 4.772 1.342 0.558 0.415 1.000 0.400 CA 1.114 Z: 7 8.842 1.573 0.509 0.852 1.000 0.833 CB 1.125 7 residues pruned to eliminate duplicates Z: 9 7.867 1.441 0.318 0.865 1.000 0.625 CB 1.073 9 residues pruned to eliminate duplicates Z: 6 3.729 1.592 1.263 0.762 1.000 0.800 CB 0.367 Z: 12 8.555 1.497 0.437 0.830 0.818 0.545 O 1.101 12 residues pruned to eliminate duplicates Z: 13 4.586 1.446 0.567 0.407 0.667 0.500 CB 0.966 Z: 13 4.436 1.527 0.390 0.448 0.750 0.583 CB 0.848 Z: 9 6.399 1.343 0.562 0.613 1.000 0.750 N 0.969 8 residues pruned to eliminate duplicates Z: 7 2.933 1.409 0.085 0.412 0.833 0.333 CB 1.031 Z: 8 3.073 1.452 0.319 0.447 0.857 0.143 CB 0.747 6 residues pruned to eliminate duplicates Z: 8 6.516 1.553 0.670 0.483 0.857 0.714 CB 1.128 Z: 7 4.255 1.609 0.342 0.522 1.000 0.667 CB 0.788 6 residues pruned to eliminate duplicates 6 1.915 1.055 0.480 0.296 0.800 0.800 N 0.861 ? 6 1.773 1.311 0.219 0.289 0.800 0.400 N 0.786 ? Z: 6 5.975 1.603 0.468 0.716 0.800 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 8 3.342 1.374 0.585 0.347 0.714 0.429 N 0.958 8 residues pruned to eliminate duplicates 6 0.969 1.014 0.385 0.300 0.600 0.400 N 0.644 ? Z: 8 3.895 1.560 0.498 0.216 0.714 0.571 CB 1.231 5 residues pruned to eliminate duplicates Z: 14 5.757 1.397 0.443 0.508 0.923 0.615 CB 0.852 7 residues pruned to eliminate duplicates Z: 11 3.913 1.365 0.211 0.402 0.800 0.600 CB 1.037 7 residues pruned to eliminate duplicates Z: 22 13.019 1.718 0.340 0.481 0.952 0.571 CB 1.321 22 residues pruned to eliminate duplicates Z: 14 5.922 1.532 0.616 0.238 0.923 0.615 CB 0.974 14 residues pruned to eliminate duplicates Z: 12 5.356 1.570 0.374 0.429 0.727 0.455 CB 1.108 12 residues pruned to eliminate duplicates Z: 10 6.936 1.555 0.387 0.873 1.000 0.889 CB 0.781 10 residues pruned to eliminate duplicates Z: 9 5.752 1.535 0.466 0.778 0.875 0.875 CB 0.808 9 residues pruned to eliminate duplicates Z: 8 3.196 1.434 0.350 0.399 0.714 0.286 CB 0.971 6 1.276 1.057 0.559 0.279 0.800 0.400 CB 0.555 ? Z: 8 2.804 1.369 0.396 0.216 0.857 0.429 N 0.903 6 1.693 1.381 0.264 0.299 0.600 0.600 N 0.905 ? 6 1.264 1.938 -0.137 0.100 0.600 0.200 C 0.938 ? Z: 8 2.655 1.357 0.196 0.410 0.714 0.571 CA 0.950 Z: 8 2.463 1.373 0.023 0.211 0.857 0.429 CB 1.088 Z: 6 4.406 1.448 0.318 0.854 0.800 0.800 CB 0.953 Z: 12 3.006 1.332 0.390 0.209 0.818 0.636 CB 0.843 Z: 6 4.519 1.327 0.341 0.745 1.000 0.600 O 0.912 Z: 11 5.449 1.295 0.245 0.835 0.900 0.500 CA 0.890 11 residues pruned to eliminate duplicates Z: 8 6.580 1.196 0.733 0.827 1.000 0.714 CB 0.904 3 residues pruned to eliminate duplicates Z: 10 5.449 1.334 0.448 0.816 0.889 0.556 CB 0.803 Z: 7 2.587 1.220 0.274 0.815 0.833 0.667 CA 0.620 Z: 12 8.285 1.321 0.383 0.798 1.000 0.909 N 1.053 6 1.410 1.043 0.166 0.292 0.800 0.600 O 0.819 ? Z: 6 3.588 1.235 0.408 0.819 1.000 0.800 CB 0.700 Z: 6 5.190 1.391 0.444 0.843 0.800 0.600 CB 1.076 Z: 8 2.994 1.296 0.728 0.445 1.000 0.571 CB 0.535 6 0.953 1.408 -0.127 0.134 0.800 0.600 CB 0.684 ? Z: 11 15.146 1.542 1.015 0.808 0.900 0.800 CB 1.310 8 residues pruned to eliminate duplicates Z: 7 2.464 1.465 -0.077 0.449 1.000 0.500 CB 0.783 Z: 6 3.863 1.374 0.378 0.848 0.800 0.400 CB 0.847 6 residues pruned to eliminate duplicates Z: 9 4.019 1.308 0.388 0.454 0.875 0.500 CB 0.937 7 residues pruned to eliminate duplicates Z: 7 3.415 1.741 0.827 0.134 0.667 0.333 CA 1.038 Z: 11 11.330 1.361 0.678 0.868 1.000 1.000 N 1.147 15 residues pruned to eliminate duplicates Z: 10 12.606 1.393 1.081 0.899 0.889 0.778 N 1.166 10 residues pruned to eliminate duplicates Z: 10 3.857 1.511 0.542 0.239 0.889 0.667 N 0.841 Z: 6 7.595 1.315 1.452 0.761 0.800 0.800 N 1.045 Z: 8 7.015 1.505 0.575 0.709 0.857 0.857 CB 1.080 8 residues pruned to eliminate duplicates 8 1.975 1.358 0.300 0.304 0.571 0.429 C 0.921 ? Z: 10 7.941 1.479 0.670 0.863 0.889 0.556 CB 0.885 10 residues pruned to eliminate duplicates Z: 8 4.424 1.583 -0.087 0.645 1.000 0.571 N 1.011 8 residues pruned to eliminate duplicates Z: 6 7.842 1.359 0.770 0.851 1.000 0.800 C 1.080 Z: 9 8.623 1.500 0.444 0.797 0.875 0.750 O 1.240 10 residues pruned to eliminate duplicates Z: 13 11.809 1.545 0.358 0.867 0.917 0.417 O 1.296 14 residues pruned to eliminate duplicates Z: 8 3.066 1.022 0.859 0.481 0.857 0.571 CA 0.725 Z: 7 4.399 1.346 0.587 0.862 1.000 0.500 CB 0.617 Z: 11 6.228 1.490 0.396 0.453 0.900 0.600 N 1.103 11 residues pruned to eliminate duplicates Z: 10 10.226 1.537 0.880 0.538 0.889 0.778 O 1.278 10 residues pruned to eliminate duplicates Z: 8 8.798 1.576 0.488 0.845 0.857 0.571 CB 1.231 8 residues pruned to eliminate duplicates Z: 7 2.461 1.365 -0.104 0.420 0.833 0.667 CA 1.071 Z: 7 3.402 1.537 0.182 0.507 0.667 0.667 CB 1.139 Z: 7 3.061 1.348 0.879 0.307 0.667 0.500 CB 0.916 Z: 6 2.449 1.344 0.336 0.514 0.800 0.600 CB 0.752 Z: 7 2.534 1.265 0.017 0.366 1.000 0.667 CB 0.928 Z: 10 7.153 1.536 0.248 0.832 1.000 0.556 CB 0.934 11 residues pruned to eliminate duplicates Z: 6 2.375 1.207 0.632 0.316 0.800 0.600 C 0.826 Z: 6 2.150 1.019 0.522 0.650 0.800 0.600 N 0.674 Z: 11 9.103 1.582 0.151 0.857 0.900 0.800 CB 1.294 11 residues pruned to eliminate duplicates Z: 10 5.587 1.498 0.336 0.451 0.778 0.333 N 1.258 Z: 11 2.492 1.441 0.541 0.086 0.700 0.300 CB 0.866 Z: 6 3.179 1.457 0.127 0.510 0.800 0.400 CB 1.072 Z: 6 3.941 1.444 0.226 0.381 1.000 0.600 CA 1.130 Z: 8 5.778 1.486 0.370 0.848 0.857 0.429 N 0.928 8 residues pruned to eliminate duplicates Z: 6 9.095 1.527 0.713 0.844 1.000 0.800 O 1.157 6 residues pruned to eliminate duplicates Z: 6 2.283 1.253 0.282 0.512 1.000 0.600 N 0.628 Z: 9 8.252 1.465 0.768 0.856 1.000 0.875 CB 0.831 9 residues pruned to eliminate duplicates Z: 6 2.171 1.230 0.430 0.465 0.800 0.400 CB 0.715 Z: 12 12.089 1.483 0.819 0.888 0.818 0.636 CA 1.190 12 residues pruned to eliminate duplicates 7 1.854 1.346 0.355 0.262 0.667 0.500 CB 0.817 ? Z: 7 3.011 1.123 0.973 0.278 0.833 0.500 N 0.855 Z: 11 6.386 1.377 -0.030 0.869 1.000 0.900 O 1.105 7 residues pruned to eliminate duplicates Z: 11 7.899 1.705 0.265 0.823 0.800 0.600 CB 1.095 11 residues pruned to eliminate duplicates Z: 9 5.081 1.691 0.258 0.248 1.000 0.375 CB 1.128 8 residues pruned to eliminate duplicates Z: 6 2.521 1.350 0.185 0.412 0.800 0.600 C 0.965 Z: 12 11.934 1.521 0.672 0.703 0.909 0.636 CB 1.293 12 residues pruned to eliminate duplicates Z: 15 8.554 1.466 0.237 0.911 1.000 0.929 CB 0.894 13 residues pruned to eliminate duplicates Z: 7 4.466 1.296 0.401 0.501 1.000 0.333 CB 1.003 5 residues pruned to eliminate duplicates Z: 7 2.569 1.318 0.780 0.277 0.833 0.500 CB 0.690 Z: 8 4.857 1.742 0.808 0.292 0.714 0.286 CA 1.031 Z: 6 2.262 1.039 0.403 0.419 1.000 0.400 CB 0.755 7 1.369 1.262 0.289 0.140 0.833 0.500 CB 0.645 ? Z: 14 17.865 1.627 0.553 0.883 1.000 0.769 CB 1.418 14 residues pruned to eliminate duplicates Z: 7 3.575 1.667 0.942 0.365 0.833 0.500 CB 0.625 7 residues pruned to eliminate duplicates Z: 12 9.486 1.549 0.475 0.784 0.909 0.545 CB 1.073 12 residues pruned to eliminate duplicates Z: 11 8.337 1.433 0.658 0.784 1.000 0.700 N 0.864 11 residues pruned to eliminate duplicates Z: 6 3.859 1.648 1.476 0.137 0.800 0.200 CA 0.830 Z: 9 3.107 1.386 0.440 0.335 0.625 0.250 CB 1.054 Z: 6 2.803 1.299 0.294 0.569 1.000 0.600 O 0.698 6 residues pruned to eliminate duplicates Z: 13 5.114 1.351 0.474 0.465 0.833 0.417 CB 0.922 10 residues pruned to eliminate duplicates Z: 8 4.565 1.526 0.494 0.543 0.857 0.571 CB 0.847 Z: 6 2.838 1.227 0.829 0.292 0.800 0.400 CB 0.892 Z: 9 6.990 1.559 0.545 0.617 0.750 0.625 N 1.226 15 residues pruned to eliminate duplicates Z: 6 3.848 1.421 0.307 0.837 1.000 1.000 CB 0.693 Z: 12 7.481 1.234 0.573 0.794 0.909 0.727 CA 0.988 8 residues pruned to eliminate duplicates 6 1.452 1.136 0.541 0.244 0.600 0.400 N 0.830 ? Z: 10 4.927 1.278 0.360 0.722 0.778 0.444 CB 0.994 10 residues pruned to eliminate duplicates Z: 6 6.167 1.432 0.398 0.701 1.000 0.800 O 1.148 6 residues pruned to eliminate duplicates 6 1.966 1.145 0.296 0.579 1.000 0.600 N 0.550 ? Z: 12 5.057 1.296 0.509 0.451 0.818 0.545 CB 1.002 Z: 6 3.659 1.429 0.536 0.339 0.800 0.400 N 1.111 Z: 7 3.039 1.553 -0.177 0.771 0.833 0.333 CB 0.917 7 residues pruned to eliminate duplicates Z: 9 5.526 1.562 0.224 0.807 1.000 0.875 CB 0.781 Z: 7 3.612 1.508 0.131 0.459 0.833 0.667 CB 1.083 Z: 8 7.126 1.179 0.968 0.747 1.000 0.429 N 0.931 Z: 6 7.218 1.477 0.588 0.784 1.000 0.800 CB 1.071 Z: 7 3.851 1.337 0.475 0.510 1.000 0.500 CB 0.790 9 residues pruned to eliminate duplicates Z: 7 6.377 1.669 0.075 0.832 1.000 0.833 CB 1.090 8 residues pruned to eliminate duplicates 6 1.469 1.285 -0.148 0.296 0.800 0.600 CB 0.942 ? Z: 9 6.483 1.394 0.454 0.739 0.875 0.625 O 1.043 8 residues pruned to eliminate duplicates 6 0.921 1.112 0.766 0.298 0.600 0.400 N 0.438 ? Z: 11 3.329 1.198 0.683 0.371 0.600 0.400 CB 0.999 Z: 9 5.205 1.390 0.173 0.525 1.000 0.625 C 1.101 9 residues pruned to eliminate duplicates Z: 11 4.770 1.514 0.356 0.412 0.700 0.600 CA 1.152 Z: 11 4.813 1.457 0.382 0.260 0.800 0.500 CA 1.244 11 residues pruned to eliminate duplicates Z: 12 6.534 1.379 0.116 0.856 1.000 0.818 CB 0.944 10 residues pruned to eliminate duplicates Z: 7 2.866 1.193 0.527 0.360 0.833 0.333 CA 0.897 Z: 11 3.930 1.452 0.941 0.204 0.800 0.500 CB 0.783 7 1.936 1.430 -0.148 0.323 0.833 0.667 CB 0.946 ? Z: 7 8.112 1.529 0.462 0.842 1.000 0.667 CB 1.104 6 residues pruned to eliminate duplicates Z: 10 6.272 1.555 0.347 0.545 0.778 0.444 CB 1.228 10 residues pruned to eliminate duplicates Z: 6 2.449 1.190 0.924 0.100 1.000 0.400 O 0.797 Z: 7 2.983 1.200 0.483 0.602 0.833 0.667 C 0.746 Z: 7 2.643 1.230 0.260 0.463 0.833 0.667 CB 0.868 Z: 6 4.069 1.357 0.766 0.416 0.800 0.600 O 1.036 Z: 7 2.523 1.337 0.194 0.312 0.833 0.667 C 0.954 Z: 7 2.638 1.416 0.607 0.373 0.667 0.500 CB 0.813 Z: 10 11.307 1.670 0.721 0.532 1.000 0.778 CA 1.270 10 residues pruned to eliminate duplicates 7 0.875 1.245 0.295 0.318 0.500 0.333 CB 0.542 ? Z: 14 12.094 1.620 0.846 0.376 1.000 0.385 CB 1.280 14 residues pruned to eliminate duplicates Z: 8 3.999 1.599 1.352 0.197 0.571 0.429 CB 1.009 Z: 7 2.182 1.233 0.452 0.256 0.667 0.667 N 0.987 Z: 11 6.354 1.462 0.419 0.912 1.000 0.700 CB 0.686 11 residues pruned to eliminate duplicates Z: 7 6.397 1.882 0.854 0.138 1.000 0.167 CB 1.173 Z: 9 2.855 1.430 0.366 0.392 0.750 0.375 CB 0.772 727 residues left after pruning, divided into chains as follows: A: 7 B: 12 C: 11 D: 11 E: 10 F: 10 G: 22 H: 6 I: 9 J: 7 K: 6 L: 10 M: 6 N: 7 O: 6 P: 6 Q: 6 R: 27 S: 8 T: 8 U: 9 V: 12 W: 7 X: 9 Y: 10 Z: 14 Z: 9 Z: 10 Z: 14 Z: 6 Z: 10 Z: 6 Z: 15 Z: 7 Z: 13 Z: 28 Z: 20 Z: 12 Z: 6 Z: 11 Z: 12 Z: 6 Z: 8 Z: 11 Z: 10 Z: 12 Z: 6 Z: 11 Z: 15 Z: 7 Z: 11 Z: 21 Z: 10 Z: 6 Z: 15 Z: 7 Z: 6 Z: 6 Z: 14 Z: 10 Z: 13 Z: 21 Z: 31 Z: 26 Z: 9 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 17.93 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.466, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.528, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.612, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.627, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.637, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.646, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.660, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.664, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.668, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 8283 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1637 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 41.285 2.551 0.868 0.866 0.917 0.750 CA 1.997 B: 13 45.882 2.486 0.929 0.907 1.000 0.750 CA 1.963 13 residues pruned to eliminate duplicates C: 14 36.605 2.335 0.935 0.827 0.923 0.615 CA 1.834 13 residues pruned to eliminate duplicates D: 12 36.346 2.346 0.892 0.917 1.000 0.909 CA 1.743 E: 14 21.451 2.188 0.332 0.894 0.923 0.846 CA 1.587 14 residues pruned to eliminate duplicates F: 14 33.854 2.338 0.569 0.866 1.000 0.769 CA 1.873 14 residues pruned to eliminate duplicates G: 12 20.566 2.272 0.326 0.871 1.000 0.818 CB 1.502 H: 14 25.980 2.147 0.752 0.890 0.923 0.769 CA 1.494 14 residues pruned to eliminate duplicates I: 14 22.642 2.162 0.563 0.860 0.923 0.769 CA 1.480 14 residues pruned to eliminate duplicates J: 13 40.810 2.460 0.842 0.913 0.917 0.667 CB 2.008 13 residues pruned to eliminate duplicates K: 15 26.218 2.073 0.701 0.858 1.000 0.857 CA 1.464 15 residues pruned to eliminate duplicates L: 9 10.984 1.838 0.188 0.756 1.000 0.750 CB 1.415 M: 9 19.557 2.251 0.501 0.870 1.000 0.875 CA 1.494 N: 12 10.844 2.113 -0.017 0.832 0.909 0.455 CB 1.300 O: 12 29.766 2.474 0.437 0.852 1.000 0.909 CA 1.867 12 residues pruned to eliminate duplicates P: 11 16.524 2.034 0.924 0.906 1.000 0.500 CB 0.950 Q: 11 17.051 2.174 0.444 0.729 0.900 0.600 CB 1.554 12 residues pruned to eliminate duplicates R: 11 16.536 2.093 0.584 0.799 0.800 0.600 CB 1.518 11 residues pruned to eliminate duplicates S: 7 15.548 2.231 0.624 0.816 0.833 0.667 CA 1.598 7 residues pruned to eliminate duplicates T: 10 23.932 2.403 0.428 0.878 1.000 0.667 CB 1.687 11 residues pruned to eliminate duplicates U: 7 14.461 2.385 0.218 0.799 0.833 0.500 CA 1.876 7 residues pruned to eliminate duplicates V: 11 15.622 2.071 0.412 0.730 0.900 0.700 CA 1.526 11 residues pruned to eliminate duplicates W: 13 21.287 2.082 0.442 0.897 1.000 0.833 CB 1.465 12 residues pruned to eliminate duplicates X: 16 26.203 2.090 0.695 0.894 0.933 0.400 CB 1.468 Y: 9 13.114 1.996 0.080 0.869 1.000 0.750 CA 1.570 9 residues pruned to eliminate duplicates Z: 10 18.459 2.024 0.566 0.912 1.000 0.778 CB 1.375 Z: 21 30.096 2.101 0.629 0.913 0.950 0.650 CB 1.464 Z: 14 25.070 2.136 0.872 0.774 0.923 0.692 CA 1.478 14 residues pruned to eliminate duplicates Z: 12 14.466 2.080 0.408 0.804 0.818 0.545 CB 1.396 12 residues pruned to eliminate duplicates Z: 11 26.308 2.237 0.490 0.852 1.000 0.900 CB 1.845 10 residues pruned to eliminate duplicates Z: 11 25.763 2.276 0.557 0.859 0.900 0.700 CB 1.878 13 residues pruned to eliminate duplicates Z: 13 21.131 2.110 0.588 0.865 0.917 0.833 CB 1.455 13 residues pruned to eliminate duplicates Z: 15 26.453 2.235 0.389 0.873 0.929 0.857 CA 1.786 Z: 16 22.832 2.137 0.405 0.839 0.933 0.733 CB 1.572 16 residues pruned to eliminate duplicates Z: 16 16.211 1.832 0.336 0.808 0.933 0.667 CA 1.401 Z: 7 17.229 2.385 0.620 0.811 0.833 0.833 CB 1.666 7 residues pruned to eliminate duplicates Z: 13 40.662 2.436 1.122 0.900 0.833 0.583 CA 1.947 13 residues pruned to eliminate duplicates Z: 14 26.092 2.191 0.624 0.887 1.000 0.769 CA 1.465 14 residues pruned to eliminate duplicates Z: 24 19.788 1.710 0.461 0.858 0.957 0.739 CB 1.271 Z: 9 16.428 2.042 0.527 0.822 1.000 0.625 CA 1.408 Z: 16 27.764 2.179 0.544 0.889 0.867 0.533 CA 1.770 15 residues pruned to eliminate duplicates Z: 13 27.353 2.020 1.089 0.876 0.917 0.667 CB 1.483 Z: 15 25.821 2.163 0.512 0.863 0.929 0.429 CB 1.666 15 residues pruned to eliminate duplicates Z: 12 17.771 1.996 0.557 0.901 0.909 0.727 CB 1.354 10 residues pruned to eliminate duplicates Z: 21 21.152 1.739 0.399 0.910 0.950 0.800 CB 1.452 22 residues pruned to eliminate duplicates Z: 8 16.717 2.059 0.339 0.864 1.000 1.000 CA 1.681 9 residues pruned to eliminate duplicates Z: 15 28.217 2.007 0.871 0.879 1.000 0.786 CB 1.456 Z: 21 32.071 2.155 0.680 0.934 0.900 0.650 CB 1.534 21 residues pruned to eliminate duplicates Z: 16 19.677 1.918 0.644 0.848 0.867 0.667 CB 1.380 16 residues pruned to eliminate duplicates Z: 12 17.526 1.985 0.447 0.896 1.000 0.818 CB 1.318 Z: 13 40.824 2.474 0.841 0.915 1.000 0.917 CA 1.828 13 residues pruned to eliminate duplicates Z: 11 15.130 1.906 0.350 0.755 1.000 0.900 CB 1.483 Z: 14 13.567 1.706 0.170 0.884 0.923 0.923 CA 1.476 Z: 11 10.336 1.940 0.352 0.440 0.900 0.600 CA 1.474 Z: 15 34.291 2.284 0.868 0.852 0.929 0.786 CB 1.711 Z: 16 34.015 2.138 0.866 0.875 0.933 0.667 CB 1.716 16 residues pruned to eliminate duplicates Z: 13 40.937 2.417 0.883 0.887 1.000 0.833 CA 1.872 13 residues pruned to eliminate duplicates Z: 8 12.739 2.250 0.094 0.800 1.000 0.429 CB 1.504 Z: 10 9.701 1.997 0.419 0.488 1.000 0.444 CB 1.155 Z: 15 17.578 1.912 0.215 0.896 1.000 0.929 CA 1.448 16 residues pruned to eliminate duplicates Z: 8 19.157 2.422 0.423 0.853 1.000 0.714 CA 1.554 8 residues pruned to eliminate duplicates Z: 30 42.916 2.137 0.650 0.899 1.000 0.966 CA 1.616 15 residues pruned to eliminate duplicates Z: 14 45.889 2.313 1.384 0.863 0.923 0.385 CA 1.834 14 residues pruned to eliminate duplicates Z: 9 11.437 2.014 0.218 0.815 0.875 0.750 CB 1.432 9 residues pruned to eliminate duplicates Z: 14 32.357 2.247 0.655 0.903 1.000 0.923 CB 1.720 15 residues pruned to eliminate duplicates Z: 9 22.553 2.096 0.704 0.914 1.000 0.875 CA 1.579 9 residues pruned to eliminate duplicates Z: 11 12.780 2.048 0.411 0.740 0.700 0.700 CA 1.611 11 residues pruned to eliminate duplicates Z: 13 28.846 2.290 0.495 0.880 1.000 0.667 CB 1.763 13 residues pruned to eliminate duplicates Z: 10 16.883 1.906 0.482 0.709 1.000 0.778 O 1.647 11 residues pruned to eliminate duplicates Z: 13 23.545 2.163 0.702 0.818 0.917 0.833 CA 1.527 13 residues pruned to eliminate duplicates Z: 9 15.274 2.016 0.344 0.880 1.000 0.875 CB 1.444 9 residues pruned to eliminate duplicates Z: 13 34.121 2.374 0.948 0.867 0.917 0.583 CB 1.700 13 residues pruned to eliminate duplicates Z: 16 25.085 2.111 0.448 0.908 0.933 0.867 CA 1.613 15 residues pruned to eliminate duplicates Z: 9 17.235 2.251 0.270 0.878 1.000 0.750 CB 1.547 Z: 14 34.075 2.212 0.658 0.925 1.000 1.000 CA 1.808 16 residues pruned to eliminate duplicates Z: 26 17.516 2.111 0.494 0.377 0.920 0.520 CB 1.377 Z: 11 23.920 2.065 0.668 0.830 1.000 0.700 CB 1.652 10 residues pruned to eliminate duplicates Z: 10 11.587 1.921 0.520 0.581 0.889 0.667 CB 1.377 Z: 10 18.689 2.059 0.466 0.863 1.000 0.667 CB 1.515 10 residues pruned to eliminate duplicates Z: 14 23.226 2.177 0.449 0.882 0.923 0.923 CA 1.601 13 residues pruned to eliminate duplicates Z: 14 38.210 2.271 0.747 0.912 1.000 0.462 CB 1.892 16 residues pruned to eliminate duplicates Z: 14 23.989 2.095 0.436 0.822 1.000 0.769 CA 1.672 Z: 13 20.134 2.106 0.579 0.840 0.917 0.833 CB 1.422 13 residues pruned to eliminate duplicates Z: 7 14.945 1.942 0.673 0.853 1.000 1.000 CB 1.388 Z: 14 30.380 2.122 0.730 0.889 1.000 0.692 CB 1.652 14 residues pruned to eliminate duplicates Z: 12 23.379 2.137 0.582 0.909 0.909 0.455 CB 1.627 Z: 28 20.295 2.229 0.442 0.458 0.889 0.556 CB 1.427 35 residues pruned to eliminate duplicates Z: 8 11.487 1.990 0.288 0.802 0.857 0.571 CB 1.517 8 residues pruned to eliminate duplicates Z: 11 10.071 1.682 0.350 0.774 0.800 0.300 O 1.376 11 residues pruned to eliminate duplicates Z: 14 27.307 2.113 0.592 0.881 1.000 0.846 CA 1.630 14 residues pruned to eliminate duplicates Z: 12 15.188 1.942 0.469 0.899 1.000 0.636 CB 1.147 12 residues pruned to eliminate duplicates Z: 23 31.794 2.123 0.354 0.891 1.000 0.818 CB 1.696 22 residues pruned to eliminate duplicates Z: 12 29.254 2.373 0.716 0.910 0.909 0.727 CA 1.690 12 residues pruned to eliminate duplicates Z: 21 29.741 2.160 0.642 0.916 0.950 0.650 CB 1.394 21 residues pruned to eliminate duplicates Z: 14 25.525 2.183 0.649 0.824 0.923 0.615 CA 1.610 14 residues pruned to eliminate duplicates Z: 15 24.372 2.178 0.512 0.886 1.000 0.643 CB 1.427 15 residues pruned to eliminate duplicates Z: 9 7.833 1.855 1.108 0.745 0.750 0.500 CB 0.758 9 residues pruned to eliminate duplicates Z: 31 44.561 2.135 0.738 0.884 0.967 0.900 CA 1.640 30 residues pruned to eliminate duplicates Z: 15 35.535 2.208 0.672 0.874 1.000 0.714 CA 1.874 15 residues pruned to eliminate duplicates Z: 11 19.476 2.200 0.245 0.892 1.000 0.800 CA 1.614 11 residues pruned to eliminate duplicates Z: 14 21.144 2.003 0.485 0.814 1.000 0.769 CA 1.500 14 residues pruned to eliminate duplicates Z: 28 31.092 2.023 0.567 0.790 0.926 0.630 CB 1.580 30 residues pruned to eliminate duplicates Z: 10 9.515 1.902 0.070 0.673 1.000 0.889 CB 1.329 10 residues pruned to eliminate duplicates Z: 9 13.770 2.045 0.330 0.856 0.875 0.750 CB 1.508 9 residues pruned to eliminate duplicates Z: 11 21.157 2.134 0.586 0.891 1.000 0.700 CB 1.421 11 residues pruned to eliminate duplicates Z: 16 23.124 1.925 0.716 0.865 1.000 0.600 CB 1.324 16 residues pruned to eliminate duplicates Z: 16 24.704 2.012 0.596 0.920 0.800 0.533 CB 1.749 Z: 11 7.543 1.983 0.208 0.352 0.800 0.400 N 1.460 11 residues pruned to eliminate duplicates Z: 14 19.523 2.088 0.297 0.763 0.923 0.615 CA 1.715 14 residues pruned to eliminate duplicates Z: 16 26.710 1.910 0.763 0.792 0.933 0.667 O 1.698 17 residues pruned to eliminate duplicates Z: 21 28.082 2.210 0.324 0.914 0.950 0.850 CB 1.597 21 residues pruned to eliminate duplicates Z: 10 12.829 1.970 0.251 0.803 0.889 0.778 CA 1.498 10 residues pruned to eliminate duplicates Z: 12 47.336 2.580 1.023 0.902 1.000 0.727 CB 1.951 12 residues pruned to eliminate duplicates Z: 9 17.434 2.060 0.424 0.896 1.000 1.000 CA 1.505 9 residues pruned to eliminate duplicates Z: 18 36.552 2.357 1.106 0.634 0.824 0.353 CB 1.912 18 residues pruned to eliminate duplicates Z: 13 37.101 2.365 1.208 0.857 0.833 0.333 CB 1.814 13 residues pruned to eliminate duplicates Z: 16 22.012 2.061 0.266 0.878 1.000 0.933 CB 1.580 15 residues pruned to eliminate duplicates Z: 14 25.661 2.123 0.486 0.888 1.000 0.923 CA 1.627 14 residues pruned to eliminate duplicates Z: 11 10.240 1.948 0.649 0.930 1.000 0.400 CB 0.705 11 residues pruned to eliminate duplicates Z: 12 13.243 1.832 0.271 0.815 0.909 0.818 CB 1.435 Z: 11 6.904 1.596 0.629 0.351 0.800 0.500 CB 1.234 Z: 8 10.556 1.827 0.159 0.776 1.000 0.714 CA 1.477 8 residues pruned to eliminate duplicates Z: 8 15.186 2.119 0.460 0.870 0.857 0.857 CB 1.581 8 residues pruned to eliminate duplicates Z: 11 22.827 2.235 0.595 0.837 0.900 0.800 CA 1.683 11 residues pruned to eliminate duplicates Z: 9 13.976 2.080 0.330 0.895 1.000 1.000 CB 1.281 Z: 10 16.817 2.005 0.373 0.883 0.889 0.778 CB 1.656 10 residues pruned to eliminate duplicates Z: 14 8.226 1.602 0.262 0.821 1.000 0.615 CB 0.855 Z: 12 15.271 1.877 0.368 0.754 0.909 0.636 CA 1.573 12 residues pruned to eliminate duplicates Z: 31 45.406 2.136 0.883 0.900 0.933 0.700 CB 1.578 31 residues pruned to eliminate duplicates Z: 8 10.382 1.948 0.292 0.772 1.000 0.857 CB 1.226 9 residues pruned to eliminate duplicates Z: 7 7.962 1.731 0.293 0.720 0.833 0.833 N 1.428 7 residues pruned to eliminate duplicates Z: 12 16.275 1.937 0.411 0.879 1.000 0.818 CA 1.302 12 residues pruned to eliminate duplicates Z: 15 30.987 2.209 0.708 0.877 0.929 0.857 CA 1.717 14 residues pruned to eliminate duplicates Z: 13 22.458 2.053 0.747 0.850 1.000 0.667 CB 1.339 12 residues pruned to eliminate duplicates Z: 7 8.575 1.844 0.431 0.847 0.833 0.667 CB 1.182 7 residues pruned to eliminate duplicates Z: 18 23.337 1.895 0.780 0.790 0.882 0.765 CB 1.474 18 residues pruned to eliminate duplicates Z: 7 7.609 1.880 0.411 0.762 0.667 0.667 CB 1.392 7 residues pruned to eliminate duplicates Z: 18 32.113 2.002 0.959 0.881 0.882 0.765 CB 1.630 15 residues pruned to eliminate duplicates Z: 15 20.065 1.949 0.523 0.913 0.929 0.714 CB 1.377 15 residues pruned to eliminate duplicates Z: 13 11.996 1.719 0.285 0.885 1.000 0.917 CB 1.132 13 residues pruned to eliminate duplicates Z: 10 21.822 2.132 0.810 0.852 0.889 0.556 CB 1.569 10 residues pruned to eliminate duplicates Z: 12 9.767 1.974 0.388 0.529 0.818 0.455 CB 1.277 10 residues pruned to eliminate duplicates Z: 9 14.164 2.195 0.096 0.890 1.000 0.750 CA 1.498 9 residues pruned to eliminate duplicates Z: 9 7.831 1.735 0.045 0.769 1.000 0.500 CB 1.204 6 residues pruned to eliminate duplicates Z: 9 10.060 1.976 0.350 0.657 0.750 0.500 CB 1.536 9 residues pruned to eliminate duplicates Z: 14 31.461 2.246 0.732 0.870 1.000 0.692 CA 1.637 13 residues pruned to eliminate duplicates Z: 8 12.537 1.910 0.424 0.878 0.857 0.857 O 1.475 8 residues pruned to eliminate duplicates Z: 15 28.327 2.225 0.357 0.913 1.000 1.000 CA 1.774 15 residues pruned to eliminate duplicates Z: 10 7.756 1.954 0.277 0.559 0.889 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 9 19.878 2.087 0.501 0.818 1.000 0.750 CB 1.702 9 residues pruned to eliminate duplicates Z: 19 25.478 1.956 0.697 0.870 0.833 0.500 CB 1.585 18 residues pruned to eliminate duplicates Z: 31 52.845 2.183 0.965 0.929 1.000 0.733 CB 1.573 31 residues pruned to eliminate duplicates Z: 30 40.473 2.106 0.593 0.918 1.000 0.931 CA 1.580 30 residues pruned to eliminate duplicates Z: 12 13.698 2.217 0.692 0.316 0.818 0.545 CB 1.649 12 residues pruned to eliminate duplicates Z: 13 14.740 1.784 0.423 0.842 0.917 0.667 CA 1.363 12 residues pruned to eliminate duplicates Z: 25 18.574 2.000 0.314 0.518 0.958 0.625 CB 1.478 7 residues pruned to eliminate duplicates Z: 16 21.848 2.141 0.673 0.781 0.867 0.533 CA 1.418 16 residues pruned to eliminate duplicates Z: 30 28.802 1.986 0.672 0.729 0.862 0.655 CB 1.520 30 residues pruned to eliminate duplicates Z: 13 14.736 1.702 0.479 0.876 0.917 0.750 CB 1.339 13 residues pruned to eliminate duplicates Z: 12 22.714 1.911 0.943 0.891 0.909 0.727 CB 1.459 12 residues pruned to eliminate duplicates Z: 11 31.365 2.074 1.279 0.898 0.900 0.700 CA 1.668 11 residues pruned to eliminate duplicates Z: 10 14.358 2.170 0.537 0.855 0.889 0.667 CB 1.191 10 residues pruned to eliminate duplicates Z: 8 10.571 2.031 0.154 0.900 1.000 0.714 CA 1.217 7 residues pruned to eliminate duplicates Z: 13 28.293 1.992 0.829 0.910 1.000 1.000 CA 1.590 12 residues pruned to eliminate duplicates Z: 28 25.685 2.334 0.519 0.502 0.926 0.481 CB 1.503 30 residues pruned to eliminate duplicates Z: 14 14.087 1.851 0.138 0.895 0.923 0.923 CA 1.441 14 residues pruned to eliminate duplicates Z: 27 27.990 2.077 0.399 0.851 0.885 0.769 CB 1.580 27 residues pruned to eliminate duplicates Z: 17 21.700 1.985 0.598 0.810 1.000 0.562 CB 1.306 17 residues pruned to eliminate duplicates Z: 11 11.223 1.932 0.867 0.919 1.000 0.800 CB 0.693 11 residues pruned to eliminate duplicates Z: 10 13.619 1.974 0.173 0.809 1.000 0.556 CB 1.498 10 residues pruned to eliminate duplicates Z: 16 20.916 2.187 0.543 0.504 1.000 0.533 CB 1.594 14 residues pruned to eliminate duplicates Z: 30 48.766 2.184 0.808 0.901 1.000 0.759 CB 1.636 30 residues pruned to eliminate duplicates Z: 13 21.423 2.086 0.695 0.826 0.917 0.750 CB 1.439 13 residues pruned to eliminate duplicates Z: 23 22.440 2.047 0.612 0.663 0.864 0.636 CB 1.444 13 residues pruned to eliminate duplicates Z: 12 16.633 2.036 0.186 0.799 1.000 0.818 CA 1.600 12 residues pruned to eliminate duplicates Z: 13 15.578 1.811 0.681 0.864 0.917 0.750 CB 1.181 9 residues pruned to eliminate duplicates Z: 16 19.256 1.732 0.558 0.910 1.000 0.933 CA 1.307 15 residues pruned to eliminate duplicates Z: 30 44.700 2.154 0.690 0.927 1.000 0.862 CB 1.598 30 residues pruned to eliminate duplicates Z: 9 6.476 1.734 0.008 0.670 0.875 0.625 CB 1.280 9 residues pruned to eliminate duplicates Z: 11 14.820 2.184 0.514 0.504 0.900 0.800 CB 1.569 Z: 15 29.396 2.086 0.674 0.903 1.000 0.786 CB 1.603 15 residues pruned to eliminate duplicates Z: 14 18.206 1.955 0.732 0.868 0.846 0.538 CB 1.288 14 residues pruned to eliminate duplicates Z: 10 7.669 1.875 0.587 0.795 0.667 0.556 CB 0.995 10 residues pruned to eliminate duplicates Z: 8 11.536 2.194 0.285 0.747 0.714 0.571 CA 1.736 8 residues pruned to eliminate duplicates Z: 17 30.235 2.087 0.549 0.919 1.000 0.875 CA 1.648 16 residues pruned to eliminate duplicates Z: 10 19.806 2.017 0.512 0.878 1.000 1.000 CB 1.571 9 residues pruned to eliminate duplicates Z: 16 25.534 2.013 0.629 0.843 1.000 0.800 CB 1.498 16 residues pruned to eliminate duplicates Z: 8 12.083 2.059 0.160 0.820 1.000 0.857 CB 1.448 8 residues pruned to eliminate duplicates Z: 8 12.094 2.131 0.173 0.744 1.000 0.714 CB 1.469 8 residues pruned to eliminate duplicates Z: 13 23.116 2.146 0.925 0.816 0.833 0.583 CA 1.473 13 residues pruned to eliminate duplicates Z: 19 21.892 1.899 0.353 0.907 1.000 0.944 CB 1.428 Z: 43 46.908 2.128 0.875 0.812 0.929 0.667 CB 1.489 43 residues pruned to eliminate duplicates Z: 22 34.763 2.090 0.808 0.890 1.000 0.571 CB 1.444 22 residues pruned to eliminate duplicates Z: 11 20.417 2.099 0.530 0.823 0.900 0.900 N 1.689 11 residues pruned to eliminate duplicates Z: 18 31.129 2.121 0.729 0.837 0.941 0.588 CA 1.635 18 residues pruned to eliminate duplicates Z: 13 24.428 2.109 0.855 0.830 0.833 0.583 CB 1.627 13 residues pruned to eliminate duplicates Z: 18 12.558 1.995 0.377 0.421 0.941 0.647 CB 1.279 18 residues pruned to eliminate duplicates Z: 14 36.584 2.208 1.237 0.873 0.923 0.846 CA 1.622 12 residues pruned to eliminate duplicates Z: 22 18.257 2.069 0.621 0.654 0.952 0.619 CB 1.081 22 residues pruned to eliminate duplicates Z: 20 21.753 1.810 0.398 0.880 1.000 0.947 CB 1.429 20 residues pruned to eliminate duplicates Z: 13 22.140 2.017 0.367 0.895 1.000 0.833 CA 1.661 13 residues pruned to eliminate duplicates Z: 6 7.147 1.713 0.626 0.693 0.800 0.600 CA 1.203 Z: 13 26.546 2.136 0.608 0.868 0.917 0.667 CB 1.779 14 residues pruned to eliminate duplicates Z: 14 24.226 2.073 0.485 0.924 1.000 1.000 CA 1.533 14 residues pruned to eliminate duplicates Z: 16 14.686 1.692 0.359 0.890 0.867 0.800 CB 1.369 Z: 15 27.647 2.148 0.502 0.905 1.000 0.786 CB 1.630 15 residues pruned to eliminate duplicates Z: 16 32.822 2.200 0.598 0.911 0.933 0.600 CA 1.830 16 residues pruned to eliminate duplicates Z: 29 46.392 2.223 0.680 0.914 1.000 0.821 CB 1.660 29 residues pruned to eliminate duplicates Z: 14 23.996 1.989 0.828 0.846 0.846 0.615 CB 1.608 13 residues pruned to eliminate duplicates Z: 31 47.170 2.133 1.014 0.904 1.000 0.600 CB 1.428 31 residues pruned to eliminate duplicates Z: 14 20.103 2.051 0.738 0.706 0.846 0.462 CB 1.533 14 residues pruned to eliminate duplicates Z: 21 22.746 1.863 0.566 0.843 0.950 0.800 CB 1.366 19 residues pruned to eliminate duplicates Z: 19 19.638 1.858 0.885 0.834 0.944 0.722 CB 1.049 19 residues pruned to eliminate duplicates Z: 12 23.675 2.004 0.747 0.909 0.909 0.818 N 1.592 12 residues pruned to eliminate duplicates Z: 8 15.091 1.906 0.432 0.870 1.000 0.714 CB 1.525 8 residues pruned to eliminate duplicates Z: 14 15.040 1.796 0.432 0.884 0.923 0.615 CB 1.269 Z: 11 8.457 2.010 0.206 0.478 0.700 0.600 N 1.611 9 residues pruned to eliminate duplicates Z: 22 36.331 2.094 0.804 0.887 1.000 0.524 CB 1.513 23 residues pruned to eliminate duplicates Z: 19 19.208 1.848 0.400 0.918 1.000 0.889 CB 1.235 19 residues pruned to eliminate duplicates Z: 13 21.913 2.058 0.451 0.847 0.917 0.833 CA 1.717 13 residues pruned to eliminate duplicates Z: 15 26.987 2.170 0.601 0.896 0.929 0.857 CA 1.601 15 residues pruned to eliminate duplicates Z: 16 38.719 2.180 0.857 0.922 0.933 0.800 CB 1.860 17 residues pruned to eliminate duplicates Z: 13 28.298 2.161 0.552 0.809 1.000 0.583 CB 1.861 14 residues pruned to eliminate duplicates Z: 10 14.572 2.069 0.562 0.884 1.000 0.778 CB 1.086 10 residues pruned to eliminate duplicates Z: 18 19.168 1.851 0.426 0.849 0.941 0.824 CB 1.387 18 residues pruned to eliminate duplicates Z: 9 14.554 2.085 0.692 0.848 0.875 0.375 CB 1.236 9 residues pruned to eliminate duplicates Z: 13 18.446 1.985 0.522 0.812 0.833 0.750 CA 1.612 13 residues pruned to eliminate duplicates Z: 8 10.921 1.902 0.231 0.801 1.000 0.714 CB 1.355 6 residues pruned to eliminate duplicates Z: 9 11.194 2.086 0.227 0.796 1.000 0.875 CB 1.193 10 residues pruned to eliminate duplicates Z: 14 17.205 1.808 0.294 0.871 0.923 0.846 CA 1.612 14 residues pruned to eliminate duplicates Z: 16 21.340 2.046 0.376 0.869 1.000 0.867 CB 1.430 16 residues pruned to eliminate duplicates Z: 9 17.101 2.061 0.602 0.762 0.875 0.625 CB 1.659 9 residues pruned to eliminate duplicates Z: 16 25.029 1.939 1.072 0.889 0.733 0.400 CB 1.579 16 residues pruned to eliminate duplicates Z: 30 46.082 2.170 0.957 0.908 0.931 0.517 CB 1.537 30 residues pruned to eliminate duplicates Z: 8 9.424 2.061 0.080 0.796 0.857 0.714 CB 1.441 8 residues pruned to eliminate duplicates Z: 7 6.928 2.015 0.013 0.540 0.833 0.667 N 1.598 7 residues pruned to eliminate duplicates Z: 12 23.375 1.984 0.528 0.908 1.000 0.818 CA 1.651 12 residues pruned to eliminate duplicates Z: 13 14.646 1.891 0.334 0.832 1.000 0.583 CA 1.258 13 residues pruned to eliminate duplicates Z: 9 24.654 2.065 0.715 0.860 1.000 1.000 O 1.808 9 residues pruned to eliminate duplicates Z: 15 15.910 1.776 0.438 0.894 1.000 0.786 CB 1.194 15 residues pruned to eliminate duplicates Z: 8 10.182 1.669 0.847 0.738 0.857 0.714 CB 1.176 8 residues pruned to eliminate duplicates Z: 14 14.439 1.790 0.343 0.859 0.923 0.923 CB 1.328 Z: 31 48.966 2.158 0.837 0.928 1.000 0.767 CB 1.580 31 residues pruned to eliminate duplicates Z: 10 19.167 2.046 0.341 0.914 1.000 1.000 CA 1.647 10 residues pruned to eliminate duplicates Z: 21 32.813 2.174 0.508 0.931 0.950 0.900 CB 1.647 21 residues pruned to eliminate duplicates Z: 8 9.061 1.875 0.738 0.799 1.000 0.429 CB 0.809 8 residues pruned to eliminate duplicates Z: 13 13.254 1.901 0.258 0.899 0.833 0.583 CB 1.373 13 residues pruned to eliminate duplicates Z: 14 19.442 1.781 0.728 0.823 1.000 0.538 CB 1.324 16 residues pruned to eliminate duplicates Z: 13 18.650 2.026 0.571 0.856 0.833 0.750 CB 1.497 13 residues pruned to eliminate duplicates Z: 22 33.149 2.152 0.476 0.925 1.000 0.905 CB 1.598 22 residues pruned to eliminate duplicates Z: 14 19.880 1.896 0.612 0.898 0.923 0.462 CB 1.398 15 residues pruned to eliminate duplicates Z: 27 39.086 2.181 0.772 0.838 0.923 0.769 CB 1.607 27 residues pruned to eliminate duplicates Z: 11 11.397 1.910 0.509 0.510 0.900 0.600 CB 1.375 Z: 15 26.623 2.001 0.910 0.815 0.929 0.571 CA 1.525 15 residues pruned to eliminate duplicates Z: 8 11.105 1.654 0.363 0.841 1.000 0.857 CB 1.389 Z: 13 6.088 1.895 0.269 0.469 0.833 0.750 CB 0.905 Z: 30 33.564 1.941 0.915 0.898 0.862 0.448 CB 1.391 30 residues pruned to eliminate duplicates Z: 16 16.458 1.789 0.400 0.866 0.867 0.867 CA 1.432 14 residues pruned to eliminate duplicates Z: 12 21.261 2.134 0.349 0.914 1.000 0.909 CB 1.575 12 residues pruned to eliminate duplicates Z: 11 14.639 1.947 0.419 0.906 1.000 1.000 CB 1.192 11 residues pruned to eliminate duplicates Z: 20 35.045 2.260 1.037 0.618 0.895 0.526 CB 1.746 17 residues pruned to eliminate duplicates Z: 10 17.640 2.146 0.497 0.812 0.889 0.778 CA 1.570 10 residues pruned to eliminate duplicates Z: 7 7.630 1.728 0.430 0.849 1.000 0.667 CB 0.934 7 residues pruned to eliminate duplicates Z: 12 15.081 1.985 0.324 0.869 0.909 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 8 8.529 1.565 0.477 0.790 0.857 0.571 CA 1.262 Z: 10 9.737 1.521 0.637 0.846 1.000 0.444 CB 0.968 7 residues pruned to eliminate duplicates Z: 15 15.902 1.877 0.182 0.894 1.000 0.929 CB 1.373 15 residues pruned to eliminate duplicates Z: 12 13.867 1.824 0.190 0.911 1.000 0.909 CB 1.365 12 residues pruned to eliminate duplicates Z: 14 26.476 2.079 0.723 0.824 0.923 0.462 CB 1.677 14 residues pruned to eliminate duplicates Z: 22 33.970 2.122 0.481 0.914 1.000 0.952 CB 1.668 22 residues pruned to eliminate duplicates Z: 13 12.574 1.630 0.589 0.848 1.000 0.833 CB 1.039 Z: 6 7.483 2.134 -0.144 0.844 1.000 0.800 CB 1.364 6 residues pruned to eliminate duplicates Z: 20 26.106 2.166 0.290 0.905 0.947 0.842 CB 1.610 20 residues pruned to eliminate duplicates Z: 16 30.110 2.165 0.382 0.926 1.000 0.867 CB 1.821 16 residues pruned to eliminate duplicates Z: 14 15.587 1.907 0.460 0.900 0.846 0.846 CB 1.311 14 residues pruned to eliminate duplicates Z: 22 19.941 1.834 0.538 0.837 0.952 0.571 CB 1.211 22 residues pruned to eliminate duplicates Z: 11 25.091 2.217 0.796 0.868 1.000 0.800 CB 1.457 12 residues pruned to eliminate duplicates Z: 16 16.772 1.752 0.310 0.922 1.000 0.867 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 8.748 2.081 0.098 0.835 1.000 1.000 CB 1.170 7 residues pruned to eliminate duplicates Z: 20 26.886 1.864 0.693 0.926 0.895 0.684 CB 1.532 20 residues pruned to eliminate duplicates Z: 19 8.755 1.497 0.804 0.378 0.778 0.444 CB 1.120 15 residues pruned to eliminate duplicates Z: 12 12.852 1.871 0.467 0.831 0.727 0.545 CB 1.458 12 residues pruned to eliminate duplicates Z: 16 34.969 2.178 0.720 0.925 0.933 0.867 CA 1.812 16 residues pruned to eliminate duplicates Z: 15 18.289 1.952 0.371 0.896 0.929 0.429 CB 1.409 Z: 10 8.937 1.727 0.316 0.738 0.778 0.667 CB 1.361 10 residues pruned to eliminate duplicates Z: 17 14.581 2.006 0.333 0.540 0.875 0.688 CB 1.498 17 residues pruned to eliminate duplicates Z: 8 4.034 1.741 0.212 0.347 0.857 0.571 CB 0.995 Z: 20 33.130 2.179 0.731 0.922 1.000 0.579 CB 1.417 20 residues pruned to eliminate duplicates Z: 12 22.337 2.288 0.288 0.864 1.000 0.727 CB 1.676 12 residues pruned to eliminate duplicates Z: 11 11.985 1.825 0.041 0.890 1.000 0.900 CB 1.435 11 residues pruned to eliminate duplicates Z: 22 37.482 2.119 0.660 0.897 1.000 0.857 CB 1.664 22 residues pruned to eliminate duplicates Z: 14 24.723 2.010 0.621 0.890 0.923 0.615 CB 1.639 14 residues pruned to eliminate duplicates Z: 15 20.565 1.960 0.452 0.868 0.929 0.857 CB 1.521 16 residues pruned to eliminate duplicates Z: 8 15.673 1.986 0.520 0.874 1.000 0.857 CA 1.429 8 residues pruned to eliminate duplicates Z: 12 16.829 1.885 0.439 0.840 1.000 0.818 CB 1.396 Z: 14 22.876 2.003 0.550 0.902 1.000 0.692 CB 1.458 14 residues pruned to eliminate duplicates Z: 14 34.879 2.154 1.252 0.898 1.000 0.769 CA 1.427 14 residues pruned to eliminate duplicates Z: 13 32.530 2.183 1.265 0.903 0.917 0.750 CA 1.477 13 residues pruned to eliminate duplicates Z: 16 21.470 1.934 0.654 0.795 0.933 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 8 8.269 2.115 0.204 0.500 1.000 0.714 CB 1.227 8 residues pruned to eliminate duplicates Z: 28 23.301 2.226 0.462 0.546 0.889 0.704 CB 1.482 27 residues pruned to eliminate duplicates Z: 10 4.793 1.896 0.031 0.408 1.000 0.778 CB 0.901 10 residues pruned to eliminate duplicates Z: 19 28.627 1.928 0.734 0.900 0.944 0.667 CB 1.527 19 residues pruned to eliminate duplicates Z: 6 9.446 1.965 0.535 0.662 0.800 0.600 CB 1.506 Z: 13 27.804 2.261 0.807 0.916 1.000 0.833 CA 1.388 13 residues pruned to eliminate duplicates Z: 15 15.595 1.759 0.509 0.820 1.000 0.643 CB 1.190 15 residues pruned to eliminate duplicates Z: 17 18.279 1.895 0.533 0.809 0.875 0.688 CA 1.374 15 residues pruned to eliminate duplicates Z: 10 11.122 1.987 0.376 0.911 0.889 0.889 CB 1.081 Z: 15 20.765 2.132 0.703 0.573 0.929 0.714 CB 1.535 15 residues pruned to eliminate duplicates Z: 14 18.822 1.838 0.432 0.864 0.923 0.615 CA 1.575 14 residues pruned to eliminate duplicates Z: 14 29.772 2.225 0.860 0.840 0.923 0.846 CA 1.613 14 residues pruned to eliminate duplicates Z: 12 17.975 2.010 0.462 0.825 0.909 0.545 CA 1.532 10 residues pruned to eliminate duplicates Z: 11 14.534 1.677 1.192 0.930 1.000 0.600 CB 0.874 Z: 13 17.165 1.827 0.491 0.866 0.917 0.833 CB 1.453 14 residues pruned to eliminate duplicates Z: 16 14.274 1.867 0.717 0.648 0.800 0.400 CB 1.252 16 residues pruned to eliminate duplicates Z: 12 13.853 1.913 0.330 0.900 1.000 0.818 CB 1.173 12 residues pruned to eliminate duplicates Z: 13 19.129 1.952 0.611 0.925 1.000 0.750 CB 1.232 13 residues pruned to eliminate duplicates Z: 15 18.947 1.838 0.484 0.899 1.000 0.857 CA 1.327 15 residues pruned to eliminate duplicates Z: 27 30.754 2.060 0.754 0.659 0.962 0.692 CB 1.498 15 residues pruned to eliminate duplicates Z: 10 22.183 2.051 0.660 0.858 1.000 0.778 CB 1.600 10 residues pruned to eliminate duplicates Z: 38 25.562 1.816 0.573 0.633 0.946 0.595 CB 1.374 26 residues pruned to eliminate duplicates Z: 10 10.310 1.592 0.320 0.808 0.889 0.667 CB 1.406 Z: 20 15.179 1.910 0.332 0.570 0.895 0.579 CB 1.430 23 residues pruned to eliminate duplicates Z: 34 15.582 1.937 0.412 0.414 0.848 0.515 CB 1.279 29 residues pruned to eliminate duplicates Z: 8 4.307 1.747 0.215 0.348 0.857 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 20 20.749 1.799 0.770 0.925 0.895 0.474 CB 1.173 20 residues pruned to eliminate duplicates Z: 16 21.393 1.960 0.485 0.843 0.867 0.600 CB 1.631 16 residues pruned to eliminate duplicates Z: 9 18.840 2.232 0.267 0.821 1.000 0.625 CA 1.783 9 residues pruned to eliminate duplicates Z: 6 15.125 1.966 0.695 0.859 1.000 1.000 O 1.494 6 residues pruned to eliminate duplicates Z: 10 8.499 1.790 0.419 0.526 0.889 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 20 19.305 1.794 0.470 0.909 0.895 0.789 CB 1.332 20 residues pruned to eliminate duplicates Z: 15 14.195 1.772 0.190 0.825 1.000 0.500 CB 1.358 14 residues pruned to eliminate duplicates Z: 16 30.740 1.916 0.827 0.906 1.000 0.533 CB 1.612 16 residues pruned to eliminate duplicates Z: 15 22.494 1.910 0.708 0.899 1.000 0.500 CB 1.317 16 residues pruned to eliminate duplicates Z: 16 16.909 2.024 0.259 0.847 0.933 0.467 CB 1.363 16 residues pruned to eliminate duplicates Z: 30 53.519 2.176 1.042 0.919 1.000 0.586 CB 1.576 30 residues pruned to eliminate duplicates Z: 18 31.481 1.944 0.726 0.913 1.000 0.588 CB 1.611 18 residues pruned to eliminate duplicates Z: 14 17.988 2.032 0.443 0.872 0.846 0.769 CA 1.467 14 residues pruned to eliminate duplicates Z: 9 5.509 1.709 0.107 0.423 0.875 0.500 CA 1.275 9 residues pruned to eliminate duplicates Z: 8 10.155 1.727 0.465 0.785 0.857 0.571 CB 1.377 7 residues pruned to eliminate duplicates Z: 7 14.495 2.211 0.462 0.853 0.833 0.833 CB 1.623 7 residues pruned to eliminate duplicates Z: 13 15.895 1.767 0.480 0.862 1.000 0.833 CB 1.289 13 residues pruned to eliminate duplicates Z: 13 8.536 1.976 0.287 0.360 1.000 0.500 CB 1.127 13 residues pruned to eliminate duplicates Z: 9 10.056 1.858 0.824 0.484 0.750 0.500 N 1.422 9 residues pruned to eliminate duplicates Z: 18 18.560 1.760 0.758 0.871 1.000 0.824 CB 1.062 18 residues pruned to eliminate duplicates Z: 11 10.691 1.930 0.327 0.905 0.900 0.700 CB 1.044 11 residues pruned to eliminate duplicates Z: 16 21.788 1.927 0.471 0.849 1.000 0.800 CB 1.471 16 residues pruned to eliminate duplicates Z: 11 13.687 1.844 0.575 0.801 0.900 0.300 CB 1.273 11 residues pruned to eliminate duplicates Z: 13 12.358 1.980 0.115 0.850 0.917 0.833 CB 1.305 13 residues pruned to eliminate duplicates Z: 10 22.872 2.123 1.007 0.873 1.000 0.889 CB 1.303 10 residues pruned to eliminate duplicates Z: 19 30.401 2.118 0.538 0.903 1.000 0.889 CB 1.568 19 residues pruned to eliminate duplicates Z: 12 19.882 1.914 0.601 0.904 1.000 0.909 CB 1.394 12 residues pruned to eliminate duplicates Z: 14 19.257 2.015 0.292 0.901 1.000 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 12 7.980 1.683 0.355 0.814 0.818 0.545 CB 0.981 12 residues pruned to eliminate duplicates Z: 9 16.789 2.080 0.482 0.793 0.875 0.750 CB 1.702 9 residues pruned to eliminate duplicates Z: 8 8.121 1.891 0.029 0.732 0.857 0.429 CB 1.495 8 residues pruned to eliminate duplicates Z: 8 2.063 1.723 -0.278 0.343 0.714 0.571 CB 1.042 8 residues pruned to eliminate duplicates Z: 14 17.018 1.989 0.262 0.872 0.923 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 9 12.874 1.560 0.698 0.854 1.000 0.875 CA 1.269 11 residues pruned to eliminate duplicates Z: 8 10.339 1.609 0.650 0.882 1.000 0.857 CB 1.065 8 residues pruned to eliminate duplicates Z: 7 10.587 1.763 0.378 0.723 1.000 0.333 CB 1.454 7 residues pruned to eliminate duplicates Z: 23 29.891 1.983 0.600 0.897 1.000 0.500 CB 1.437 23 residues pruned to eliminate duplicates Z: 22 25.335 2.067 0.242 0.874 1.000 0.762 CB 1.567 21 residues pruned to eliminate duplicates Z: 15 12.610 1.801 0.118 0.903 1.000 0.857 CB 1.193 15 residues pruned to eliminate duplicates Z: 15 30.609 2.083 0.631 0.919 1.000 0.786 CA 1.697 15 residues pruned to eliminate duplicates Z: 15 25.142 2.003 0.644 0.837 0.929 0.714 O 1.643 15 residues pruned to eliminate duplicates Z: 12 17.808 1.847 0.514 0.885 1.000 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 18 5.686 1.867 0.470 0.222 0.588 0.235 CB 1.184 18 residues pruned to eliminate duplicates Z: 15 17.710 1.745 0.568 0.890 1.000 0.714 CB 1.245 14 residues pruned to eliminate duplicates Z: 16 15.273 1.781 0.348 0.816 0.867 0.800 CA 1.440 16 residues pruned to eliminate duplicates Z: 13 17.809 1.873 0.646 0.869 0.833 0.833 CB 1.461 13 residues pruned to eliminate duplicates Z: 11 4.686 1.771 -0.162 0.688 0.800 0.400 CB 1.051 9 residues pruned to eliminate duplicates Z: 11 15.338 2.042 0.558 0.703 0.900 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 14 16.046 1.939 0.640 0.866 0.769 0.462 CA 1.332 14 residues pruned to eliminate duplicates Z: 25 13.231 2.117 0.430 0.373 0.792 0.583 CB 1.292 25 residues pruned to eliminate duplicates Z: 11 18.559 1.948 0.525 0.860 1.000 0.700 CB 1.453 11 residues pruned to eliminate duplicates Z: 28 17.888 2.016 0.677 0.520 0.889 0.519 CB 1.122 22 residues pruned to eliminate duplicates Z: 7 3.736 1.720 0.088 0.427 0.833 0.333 N 1.055 Z: 22 13.780 1.961 0.730 0.253 0.810 0.476 CB 1.455 18 residues pruned to eliminate duplicates Z: 39 32.631 2.054 0.828 0.578 0.868 0.474 CB 1.506 46 residues pruned to eliminate duplicates Z: 7 7.582 1.626 0.621 0.533 0.833 0.500 CB 1.364 Z: 7 3.273 1.648 0.425 0.250 0.667 0.333 CB 1.138 Z: 6 8.832 2.237 0.324 0.750 0.800 0.400 CB 1.333 6 residues pruned to eliminate duplicates Z: 6 12.297 2.331 0.500 0.637 0.800 0.800 CB 1.729 6 residues pruned to eliminate duplicates Z: 7 4.528 1.723 0.342 0.523 1.000 0.667 CB 0.781 Z: 15 17.467 1.813 0.475 0.825 0.857 0.500 CA 1.537 15 residues pruned to eliminate duplicates Z: 30 42.638 2.130 0.933 0.914 0.897 0.586 CB 1.517 30 residues pruned to eliminate duplicates Z: 14 19.570 1.927 0.508 0.841 1.000 0.692 CA 1.393 14 residues pruned to eliminate duplicates Z: 18 26.604 1.969 0.676 0.876 0.882 0.529 CB 1.610 18 residues pruned to eliminate duplicates Z: 10 11.358 1.517 0.649 0.783 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 13 27.851 2.082 0.615 0.881 1.000 0.750 CA 1.731 15 residues pruned to eliminate duplicates Z: 6 7.149 2.207 0.219 0.749 0.800 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 14 27.208 2.018 0.759 0.835 0.923 0.846 CA 1.725 14 residues pruned to eliminate duplicates Z: 9 13.366 2.008 0.615 0.862 0.875 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 27 23.186 1.991 0.480 0.608 0.962 0.654 CB 1.448 23 residues pruned to eliminate duplicates Z: 19 13.631 1.750 0.802 0.666 0.889 0.444 CB 0.983 19 residues pruned to eliminate duplicates Z: 28 21.154 1.995 0.568 0.622 0.889 0.667 CB 1.305 28 residues pruned to eliminate duplicates Z: 14 19.421 1.852 0.520 0.895 1.000 0.846 CB 1.372 14 residues pruned to eliminate duplicates Z: 7 3.032 1.695 0.239 0.305 0.833 0.333 CA 0.879 Z: 10 11.193 1.692 0.536 0.867 1.000 0.889 CB 1.050 10 residues pruned to eliminate duplicates Z: 16 16.778 2.145 0.466 0.478 0.800 0.600 N 1.761 16 residues pruned to eliminate duplicates Z: 11 12.645 1.825 0.672 0.860 0.900 0.900 CB 1.071 11 residues pruned to eliminate duplicates Z: 31 32.867 1.836 0.575 0.932 1.000 0.900 CB 1.450 29 residues pruned to eliminate duplicates Z: 8 7.121 1.816 0.426 0.527 0.857 0.571 CB 1.180 7 residues pruned to eliminate duplicates Z: 12 5.877 1.663 0.321 0.307 0.818 0.364 CB 1.221 12 residues pruned to eliminate duplicates Z: 14 18.597 1.782 0.770 0.690 1.000 0.769 CB 1.374 14 residues pruned to eliminate duplicates Z: 16 18.135 1.879 0.642 0.763 0.867 0.600 CB 1.386 16 residues pruned to eliminate duplicates Z: 12 11.952 1.635 0.282 0.905 1.000 0.909 CB 1.224 12 residues pruned to eliminate duplicates Z: 19 26.172 1.934 0.778 0.860 0.889 0.333 CB 1.484 19 residues pruned to eliminate duplicates Z: 30 48.961 2.195 0.731 0.927 1.000 0.793 CB 1.677 30 residues pruned to eliminate duplicates Z: 15 17.455 1.769 0.548 0.826 0.857 0.786 CA 1.499 16 residues pruned to eliminate duplicates Z: 34 36.156 2.198 0.739 0.622 0.848 0.667 CB 1.730 20 residues pruned to eliminate duplicates Z: 14 16.872 1.871 0.502 0.838 0.923 0.769 CA 1.348 14 residues pruned to eliminate duplicates Z: 13 19.379 1.804 0.526 0.928 1.000 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 10 14.745 2.055 0.780 0.907 0.889 0.444 CB 1.074 10 residues pruned to eliminate duplicates Z: 10 6.816 1.967 0.682 0.495 0.778 0.444 CB 0.888 10 residues pruned to eliminate duplicates Z: 14 8.454 1.766 0.250 0.502 0.923 0.538 CB 1.149 Z: 14 7.242 1.760 0.316 0.432 0.846 0.615 CB 1.100 Z: 8 11.276 1.818 0.438 0.731 1.000 0.714 N 1.324 8 residues pruned to eliminate duplicates Z: 15 3.795 1.432 0.347 0.390 0.786 0.500 CB 0.752 Z: 10 8.924 1.698 0.206 0.864 1.000 0.889 CB 1.065 Z: 14 15.648 1.829 0.423 0.915 0.923 0.923 CB 1.277 14 residues pruned to eliminate duplicates Z: 18 24.762 1.945 0.590 0.908 1.000 0.765 CB 1.379 21 residues pruned to eliminate duplicates Z: 16 25.381 1.985 1.274 0.896 0.933 0.800 CB 1.114 16 residues pruned to eliminate duplicates Z: 13 15.343 1.875 0.326 0.860 1.000 0.667 CB 1.310 13 residues pruned to eliminate duplicates Z: 8 25.225 2.414 0.949 0.907 0.857 0.714 CB 1.680 8 residues pruned to eliminate duplicates Z: 13 11.780 1.739 0.421 0.899 1.000 1.000 CB 0.984 13 residues pruned to eliminate duplicates Z: 23 27.877 2.149 0.755 0.634 0.909 0.500 CB 1.529 23 residues pruned to eliminate duplicates Z: 11 12.990 1.880 0.482 0.524 1.000 0.700 CB 1.440 12 residues pruned to eliminate duplicates Z: 9 7.080 1.661 0.166 0.805 1.000 0.625 CB 0.991 9 residues pruned to eliminate duplicates Z: 9 11.342 1.850 0.399 0.773 0.875 0.625 CB 1.391 9 residues pruned to eliminate duplicates Z: 9 12.691 2.005 0.348 0.867 1.000 0.750 CB 1.215 9 residues pruned to eliminate duplicates Z: 12 9.267 1.840 0.501 0.418 0.909 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 15 12.493 1.735 0.556 0.590 0.786 0.643 CB 1.445 15 residues pruned to eliminate duplicates Z: 8 6.939 1.576 0.424 0.782 0.857 0.857 CB 1.063 8 residues pruned to eliminate duplicates Z: 6 9.514 1.737 0.868 0.835 0.800 0.600 N 1.228 6 residues pruned to eliminate duplicates Z: 8 17.894 2.125 0.400 0.890 1.000 1.000 CB 1.635 8 residues pruned to eliminate duplicates Z: 30 22.072 1.977 0.544 0.517 0.897 0.586 CB 1.473 30 residues pruned to eliminate duplicates Z: 17 19.429 1.980 0.413 0.836 1.000 1.000 CB 1.300 17 residues pruned to eliminate duplicates Z: 11 13.396 1.998 0.165 0.804 1.000 0.400 CB 1.396 11 residues pruned to eliminate duplicates Z: 13 18.918 1.726 0.790 0.910 1.000 1.000 CB 1.254 13 residues pruned to eliminate duplicates Z: 11 22.748 2.184 0.713 0.832 1.000 0.800 CB 1.444 11 residues pruned to eliminate duplicates Z: 18 22.203 2.124 0.585 0.509 1.000 0.529 CB 1.586 18 residues pruned to eliminate duplicates Z: 8 8.044 2.058 0.136 0.573 0.857 0.714 CB 1.414 8 residues pruned to eliminate duplicates Z: 15 15.014 1.820 0.388 0.900 0.929 0.929 CB 1.222 15 residues pruned to eliminate duplicates Z: 33 19.078 2.071 0.526 0.484 0.812 0.594 CB 1.336 17 residues pruned to eliminate duplicates Z: 13 12.372 1.725 0.336 0.834 0.917 0.500 CB 1.268 13 residues pruned to eliminate duplicates Z: 55 23.447 1.952 0.633 0.482 0.833 0.556 CB 1.223 51 residues pruned to eliminate duplicates Z: 15 16.522 1.936 0.448 0.841 0.857 0.786 CA 1.371 16 residues pruned to eliminate duplicates Z: 6 8.321 2.003 0.534 0.742 0.800 0.600 CB 1.219 6 residues pruned to eliminate duplicates Z: 23 13.929 2.037 0.570 0.516 0.773 0.591 CB 1.182 23 residues pruned to eliminate duplicates Z: 10 9.629 1.932 0.176 0.893 1.000 0.778 CB 1.014 10 residues pruned to eliminate duplicates Z: 17 14.789 2.065 0.518 0.487 0.938 0.625 CB 1.275 17 residues pruned to eliminate duplicates Z: 12 26.350 2.339 0.504 0.932 1.000 1.000 CA 1.578 12 residues pruned to eliminate duplicates Z: 17 24.464 2.019 0.693 0.811 1.000 0.625 CB 1.365 17 residues pruned to eliminate duplicates Z: 11 21.635 2.170 0.701 0.880 0.900 0.900 CB 1.492 11 residues pruned to eliminate duplicates Z: 28 20.170 1.904 0.351 0.588 0.963 0.667 CB 1.440 28 residues pruned to eliminate duplicates Z: 16 34.112 2.165 0.588 0.929 1.000 0.667 CB 1.793 16 residues pruned to eliminate duplicates Z: 25 29.475 2.099 0.751 0.715 0.958 0.625 CB 1.406 26 residues pruned to eliminate duplicates Z: 7 25.246 2.424 0.949 0.894 1.000 1.000 CA 1.565 7 residues pruned to eliminate duplicates Z: 15 19.180 1.908 0.277 0.854 1.000 0.929 O 1.555 15 residues pruned to eliminate duplicates Z: 12 12.395 1.744 0.516 0.863 1.000 0.818 CB 1.037 12 residues pruned to eliminate duplicates Z: 14 13.538 1.747 0.507 0.872 1.000 0.692 CB 1.039 14 residues pruned to eliminate duplicates Z: 9 12.487 1.790 0.619 0.844 1.000 0.625 CB 1.134 9 residues pruned to eliminate duplicates Z: 6 3.405 1.418 0.451 0.819 1.000 0.600 CB 0.561 Z: 12 24.703 1.988 0.701 0.847 0.909 0.455 O 1.798 12 residues pruned to eliminate duplicates Z: 7 6.482 1.750 0.070 0.767 0.833 0.667 O 1.339 Z: 23 12.901 1.803 0.393 0.411 0.864 0.591 CB 1.392 19 residues pruned to eliminate duplicates Z: 8 14.625 1.984 0.323 0.875 1.000 0.714 CB 1.531 8 residues pruned to eliminate duplicates Z: 18 18.702 2.092 0.337 0.530 1.000 0.647 CB 1.575 18 residues pruned to eliminate duplicates Z: 10 9.180 1.987 0.126 0.599 0.889 0.778 CB 1.399 10 residues pruned to eliminate duplicates Z: 13 18.937 1.901 0.595 0.890 1.000 0.750 CB 1.297 14 residues pruned to eliminate duplicates Z: 6 4.328 1.433 0.132 0.700 1.000 0.600 CB 0.994 Z: 27 15.352 1.906 0.711 0.609 0.769 0.385 CB 1.082 27 residues pruned to eliminate duplicates Z: 27 8.598 1.733 0.384 0.261 0.846 0.346 CB 1.092 22 residues pruned to eliminate duplicates Z: 15 18.013 1.835 0.659 0.871 0.929 0.571 CB 1.242 14 residues pruned to eliminate duplicates Z: 18 15.729 1.990 0.537 0.536 0.882 0.588 CB 1.365 19 residues pruned to eliminate duplicates Z: 15 21.664 1.887 0.843 0.896 1.000 0.286 CB 1.192 15 residues pruned to eliminate duplicates Z: 7 5.705 1.891 0.329 0.507 0.667 0.500 N 1.381 Z: 12 17.108 1.915 0.743 0.859 0.909 0.545 CB 1.251 12 residues pruned to eliminate duplicates Z: 30 42.552 2.170 0.638 0.886 1.000 0.828 CB 1.604 30 residues pruned to eliminate duplicates Z: 14 23.224 2.027 0.506 0.918 1.000 1.000 CB 1.488 15 residues pruned to eliminate duplicates Z: 6 11.255 2.243 0.453 0.889 1.000 0.800 CB 1.113 6 residues pruned to eliminate duplicates Z: 12 14.299 2.003 0.170 0.909 1.000 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 15 14.903 1.716 0.517 0.829 0.929 0.643 CB 1.240 15 residues pruned to eliminate duplicates Z: 7 27.243 2.360 1.054 0.884 1.000 0.333 CB 1.657 7 residues pruned to eliminate duplicates Z: 17 16.781 1.719 0.522 0.831 0.875 0.750 CA 1.376 17 residues pruned to eliminate duplicates Z: 22 19.632 1.732 0.376 0.873 0.952 0.714 CB 1.375 22 residues pruned to eliminate duplicates Z: 17 11.639 1.847 0.693 0.543 0.688 0.438 CB 1.298 17 residues pruned to eliminate duplicates Z: 16 22.231 1.826 0.589 0.869 1.000 0.733 CB 1.445 16 residues pruned to eliminate duplicates Z: 18 22.092 1.889 0.650 0.917 0.882 0.824 CB 1.375 18 residues pruned to eliminate duplicates Z: 13 18.770 1.810 0.417 0.902 1.000 0.917 CB 1.507 10 residues pruned to eliminate duplicates Z: 13 8.000 1.801 0.066 0.506 0.833 0.667 CB 1.435 11 residues pruned to eliminate duplicates Z: 12 16.806 1.801 0.827 0.866 1.000 0.818 CB 1.128 12 residues pruned to eliminate duplicates Z: 7 12.019 2.104 0.259 0.633 1.000 0.667 CA 1.635 Z: 12 9.393 1.594 0.322 0.889 0.909 0.727 CB 1.064 11 residues pruned to eliminate duplicates Z: 13 25.685 2.160 0.471 0.894 1.000 1.000 CA 1.674 13 residues pruned to eliminate duplicates Z: 16 12.422 1.585 0.745 0.835 0.933 0.400 CB 0.930 16 residues pruned to eliminate duplicates Z: 8 4.687 1.555 0.693 0.482 0.857 0.571 CB 0.800 10 residues pruned to eliminate duplicates Z: 44 24.999 1.955 0.513 0.588 0.860 0.488 CB 1.377 71 residues pruned to eliminate duplicates Z: 12 6.253 1.598 0.288 0.713 0.727 0.455 CB 1.038 12 residues pruned to eliminate duplicates Z: 15 15.095 1.778 0.372 0.887 0.929 0.929 CB 1.283 15 residues pruned to eliminate duplicates Z: 12 13.286 1.621 0.588 0.905 1.000 0.818 CB 1.108 12 residues pruned to eliminate duplicates Z: 15 15.699 1.767 0.340 0.913 0.929 0.714 CB 1.350 15 residues pruned to eliminate duplicates Z: 12 7.990 1.540 0.604 0.846 0.727 0.455 CB 0.996 12 residues pruned to eliminate duplicates Z: 7 6.548 1.859 0.474 0.714 0.833 0.667 CB 0.964 7 residues pruned to eliminate duplicates Z: 7 5.286 1.584 0.356 0.535 1.000 0.500 CB 0.971 Z: 13 7.090 1.547 0.590 0.331 0.833 0.333 CB 1.202 Z: 18 16.504 1.718 0.558 0.622 1.000 0.647 CB 1.333 18 residues pruned to eliminate duplicates Z: 14 12.448 1.764 0.388 0.570 0.846 0.462 CB 1.557 Z: 8 5.916 1.723 0.340 0.538 0.714 0.571 CB 1.306 8 residues pruned to eliminate duplicates Z: 18 22.447 1.947 0.788 0.904 1.000 0.706 CB 1.114 19 residues pruned to eliminate duplicates Z: 10 12.076 1.962 0.520 0.524 1.000 0.444 CB 1.318 9 residues pruned to eliminate duplicates Z: 14 14.946 2.017 0.377 0.575 0.923 0.846 CB 1.505 14 residues pruned to eliminate duplicates Z: 15 15.074 1.726 0.385 0.891 1.000 0.786 CB 1.212 14 residues pruned to eliminate duplicates Z: 20 23.594 1.871 0.822 0.848 0.947 0.737 CB 1.244 20 residues pruned to eliminate duplicates Z: 12 20.584 2.020 0.362 0.930 1.000 0.909 CB 1.577 8 residues pruned to eliminate duplicates Z: 9 13.283 1.849 0.833 0.825 0.875 0.750 CB 1.195 9 residues pruned to eliminate duplicates Z: 16 15.530 2.062 0.501 0.594 0.800 0.600 CB 1.480 14 residues pruned to eliminate duplicates Z: 16 16.851 1.743 0.327 0.887 1.000 0.667 CB 1.356 16 residues pruned to eliminate duplicates Z: 14 17.620 1.884 0.335 0.906 0.923 0.846 CB 1.497 14 residues pruned to eliminate duplicates Z: 10 8.315 1.972 -0.073 0.533 1.000 0.556 N 1.468 11 residues pruned to eliminate duplicates Z: 17 16.097 1.683 0.329 0.870 1.000 0.812 CB 1.313 16 residues pruned to eliminate duplicates Z: 10 13.876 1.787 0.479 0.920 1.000 0.778 CB 1.232 10 residues pruned to eliminate duplicates Z: 14 16.020 1.909 0.360 0.835 0.846 0.615 CA 1.515 14 residues pruned to eliminate duplicates Z: 6 3.397 1.158 0.526 0.845 1.000 0.800 N 0.640 Z: 6 2.420 1.617 0.217 0.638 0.800 0.600 CB 0.604 Z: 6 2.190 1.400 0.179 0.344 0.800 0.400 CB 0.879 Z: 9 20.977 1.920 0.915 0.883 1.000 0.500 CA 1.458 9 residues pruned to eliminate duplicates Z: 13 15.461 1.720 0.691 0.771 0.917 0.583 CB 1.317 13 residues pruned to eliminate duplicates Z: 9 20.195 2.229 0.522 0.896 1.000 0.875 CA 1.507 9 residues pruned to eliminate duplicates Z: 27 17.384 2.199 0.434 0.435 0.846 0.538 CB 1.366 27 residues pruned to eliminate duplicates Z: 17 19.985 2.000 0.679 0.897 1.000 0.812 CB 1.065 16 residues pruned to eliminate duplicates Z: 11 10.509 1.697 0.279 0.914 1.000 0.800 CB 1.083 11 residues pruned to eliminate duplicates Z: 31 32.951 1.871 0.577 0.932 1.000 0.733 CB 1.424 31 residues pruned to eliminate duplicates Z: 9 19.105 2.045 0.656 0.876 1.000 0.750 CB 1.451 9 residues pruned to eliminate duplicates Z: 11 12.801 1.786 0.414 0.765 0.900 0.500 CB 1.409 11 residues pruned to eliminate duplicates Z: 11 15.366 2.014 0.413 0.863 1.000 0.700 CB 1.253 11 residues pruned to eliminate duplicates Z: 16 12.720 1.663 0.433 0.861 0.867 0.467 CB 1.168 17 residues pruned to eliminate duplicates Z: 20 20.849 1.817 0.713 0.880 0.895 0.474 CB 1.245 20 residues pruned to eliminate duplicates Z: 15 23.154 2.019 0.813 0.801 0.929 0.714 CB 1.399 15 residues pruned to eliminate duplicates Z: 12 12.455 1.943 0.169 0.882 0.909 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 14 6.305 1.775 0.333 0.536 0.769 0.462 CB 0.927 Z: 10 8.176 1.506 0.575 0.840 1.000 0.667 CB 0.858 10 residues pruned to eliminate duplicates Z: 18 19.495 1.928 0.746 0.700 0.941 0.647 CB 1.244 18 residues pruned to eliminate duplicates Z: 14 10.941 1.757 0.393 0.841 0.923 0.692 CB 1.002 14 residues pruned to eliminate duplicates Z: 9 4.731 1.626 0.081 0.302 1.000 0.625 CB 1.186 Z: 7 9.116 1.887 0.405 0.738 0.833 0.667 CB 1.361 7 residues pruned to eliminate duplicates Z: 35 14.962 1.966 0.551 0.407 0.735 0.529 CB 1.261 35 residues pruned to eliminate duplicates Z: 24 27.122 2.076 0.687 0.652 0.957 0.565 CB 1.465 24 residues pruned to eliminate duplicates Z: 9 3.331 1.412 0.256 0.418 0.750 0.500 CB 0.965 Z: 11 15.296 1.973 0.854 0.502 0.900 0.700 CA 1.465 11 residues pruned to eliminate duplicates Z: 8 2.730 1.456 0.116 0.429 0.714 0.571 CB 0.957 Z: 12 12.856 1.722 0.518 0.905 1.000 0.909 CB 1.055 13 residues pruned to eliminate duplicates Z: 10 10.077 1.683 0.371 0.892 1.000 0.778 CB 1.045 10 residues pruned to eliminate duplicates Z: 8 3.404 1.737 -0.068 0.244 0.857 0.571 CB 1.247 Z: 8 5.048 1.692 0.731 0.172 0.714 0.143 O 1.357 Z: 12 8.886 1.591 0.541 0.835 0.818 0.636 CB 1.000 12 residues pruned to eliminate duplicates Z: 7 3.954 1.493 0.479 0.334 0.667 0.500 C 1.315 Z: 10 11.301 1.847 0.512 0.602 1.000 0.667 CB 1.224 12 residues pruned to eliminate duplicates Z: 9 3.611 1.658 0.287 0.282 0.750 0.375 CB 1.021 Z: 7 6.236 1.867 -0.143 0.808 1.000 0.667 CB 1.216 7 residues pruned to eliminate duplicates Z: 16 34.913 2.202 0.923 0.849 1.000 0.867 CA 1.579 16 residues pruned to eliminate duplicates Z: 19 30.818 2.111 0.695 0.742 1.000 0.778 CA 1.635 20 residues pruned to eliminate duplicates Z: 7 4.236 1.451 0.025 0.606 0.833 0.500 C 1.262 Z: 6 3.022 1.341 0.121 0.591 0.800 0.600 CB 1.030 Z: 20 15.613 1.760 0.715 0.572 0.842 0.474 CB 1.315 20 residues pruned to eliminate duplicates Z: 8 4.616 1.484 0.094 0.677 0.857 0.571 CB 1.065 Z: 30 19.366 2.067 0.664 0.451 0.793 0.310 CB 1.386 17 residues pruned to eliminate duplicates Z: 13 8.389 1.905 0.416 0.542 0.917 0.667 CB 0.940 12 residues pruned to eliminate duplicates Z: 17 11.889 1.756 0.449 0.753 0.875 0.562 CB 1.066 17 residues pruned to eliminate duplicates Z: 10 5.513 1.614 0.238 0.648 1.000 0.778 CB 0.801 Z: 7 4.194 1.597 0.513 0.360 1.000 0.333 CB 0.824 7 residues pruned to eliminate duplicates Z: 14 5.288 1.684 0.420 0.327 0.923 0.538 CB 0.803 13 residues pruned to eliminate duplicates Z: 7 2.419 1.563 0.418 0.321 0.500 0.500 CB 1.085 Z: 13 10.226 1.746 0.469 0.841 0.917 0.500 CB 0.937 13 residues pruned to eliminate duplicates Z: 44 24.696 1.984 0.545 0.483 0.860 0.581 CB 1.453 44 residues pruned to eliminate duplicates Z: 12 17.159 1.913 0.279 0.888 1.000 0.909 CA 1.523 12 residues pruned to eliminate duplicates Z: 8 9.921 1.502 0.723 0.750 1.000 0.571 CA 1.160 8 residues pruned to eliminate duplicates Z: 9 14.916 2.003 0.341 0.879 1.000 0.875 CB 1.424 9 residues pruned to eliminate duplicates Z: 6 3.057 1.658 0.084 0.759 0.800 0.800 CB 0.755 Z: 13 13.451 1.832 0.303 0.860 1.000 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 27 9.568 1.961 0.031 0.452 0.731 0.308 CB 1.334 27 residues pruned to eliminate duplicates Z: 10 14.225 2.111 0.244 0.864 1.000 0.667 CB 1.324 10 residues pruned to eliminate duplicates Z: 16 20.837 2.129 0.568 0.858 0.933 0.733 CB 1.271 16 residues pruned to eliminate duplicates Z: 6 6.653 1.588 0.314 0.837 1.000 0.800 CA 1.066 Z: 7 4.228 1.581 0.937 0.239 0.667 0.333 CB 1.144 Z: 7 7.349 1.692 0.263 0.810 0.833 0.667 CB 1.286 7 residues pruned to eliminate duplicates Z: 12 15.575 1.792 0.495 0.906 1.000 0.909 CB 1.247 10 residues pruned to eliminate duplicates Z: 13 10.978 1.607 0.144 0.893 1.000 0.583 CB 1.238 8 residues pruned to eliminate duplicates Z: 7 9.236 1.612 0.771 0.792 1.000 0.667 CA 1.023 Z: 6 7.743 1.766 0.906 0.771 0.600 0.600 CA 1.349 6 residues pruned to eliminate duplicates Z: 29 23.096 1.816 0.873 0.891 0.929 0.571 CB 0.993 29 residues pruned to eliminate duplicates Z: 9 6.316 1.693 0.321 0.838 0.875 0.875 CB 0.853 11 residues pruned to eliminate duplicates Z: 14 20.584 1.995 0.405 0.896 0.923 0.769 CA 1.581 14 residues pruned to eliminate duplicates Z: 9 8.194 1.758 0.537 0.811 0.875 0.750 CB 0.935 9 residues pruned to eliminate duplicates Z: 11 20.971 2.066 0.847 0.769 0.900 0.700 CB 1.522 11 residues pruned to eliminate duplicates Z: 12 2.980 1.437 0.714 0.230 0.727 0.545 CB 0.686 Z: 10 13.015 1.619 0.688 0.790 1.000 0.778 CB 1.230 8 residues pruned to eliminate duplicates Z: 16 37.920 2.178 0.756 0.925 1.000 0.533 CA 1.796 18 residues pruned to eliminate duplicates Z: 12 15.574 1.876 0.284 0.835 0.909 0.545 CB 1.605 12 residues pruned to eliminate duplicates Z: 13 16.544 1.820 0.458 0.881 0.917 0.833 CB 1.422 13 residues pruned to eliminate duplicates Z: 12 11.003 1.913 0.175 0.876 0.909 0.636 CB 1.180 12 residues pruned to eliminate duplicates Z: 8 5.549 1.472 0.355 0.716 0.857 0.571 CA 1.008 8 residues pruned to eliminate duplicates Z: 13 19.415 1.918 0.736 0.924 0.917 0.500 CB 1.290 12 residues pruned to eliminate duplicates Z: 32 26.435 2.176 0.474 0.579 0.903 0.742 CB 1.519 29 residues pruned to eliminate duplicates Z: 13 48.426 2.464 1.204 0.874 1.000 0.417 CA 1.873 13 residues pruned to eliminate duplicates Z: 11 14.650 1.881 0.632 0.826 0.900 0.800 CA 1.265 11 residues pruned to eliminate duplicates Z: 17 23.598 1.934 0.474 0.921 1.000 0.812 CB 1.456 17 residues pruned to eliminate duplicates Z: 27 20.766 1.904 0.530 0.624 1.000 0.692 CB 1.243 16 residues pruned to eliminate duplicates Z: 14 22.044 1.970 0.368 0.845 1.000 0.692 O 1.687 14 residues pruned to eliminate duplicates Z: 15 9.054 1.862 0.212 0.831 0.714 0.714 CB 1.128 15 residues pruned to eliminate duplicates Z: 7 2.725 1.346 0.233 0.248 0.833 0.500 CA 1.075 Z: 12 17.322 1.878 0.798 0.891 0.818 0.364 CB 1.359 12 residues pruned to eliminate duplicates Z: 12 15.625 1.841 0.440 0.902 1.000 0.545 CB 1.268 12 residues pruned to eliminate duplicates Z: 17 21.887 1.849 0.588 0.796 0.938 0.562 CB 1.534 15 residues pruned to eliminate duplicates Z: 8 17.702 1.892 0.998 0.628 1.000 0.571 C 1.569 8 residues pruned to eliminate duplicates Z: 22 21.415 1.695 0.607 0.848 0.952 0.714 CA 1.337 22 residues pruned to eliminate duplicates Z: 7 2.632 1.324 0.528 0.193 0.833 0.167 CB 0.920 Z: 17 23.603 2.195 0.603 0.788 0.938 0.500 CB 1.388 17 residues pruned to eliminate duplicates Z: 7 6.975 1.766 0.742 0.349 0.833 0.833 CB 1.308 8 residues pruned to eliminate duplicates Z: 16 31.947 1.993 0.804 0.838 1.000 0.600 CB 1.714 16 residues pruned to eliminate duplicates Z: 8 9.094 1.884 0.020 0.863 0.857 0.714 CB 1.531 8 residues pruned to eliminate duplicates Z: 6 10.100 1.693 0.752 0.740 1.000 1.000 CB 1.228 Z: 15 14.116 1.723 0.422 0.852 1.000 0.643 CB 1.139 15 residues pruned to eliminate duplicates Z: 14 7.495 1.683 0.670 0.310 0.769 0.308 CB 1.187 14 residues pruned to eliminate duplicates Z: 12 15.026 1.834 0.698 0.752 0.818 0.455 CB 1.420 12 residues pruned to eliminate duplicates Z: 13 13.557 1.873 0.678 0.795 0.667 0.333 CB 1.442 13 residues pruned to eliminate duplicates Z: 14 20.367 1.900 0.618 0.884 1.000 0.615 CB 1.328 14 residues pruned to eliminate duplicates Z: 7 6.966 1.514 0.293 0.753 1.000 0.500 CB 1.159 8 residues pruned to eliminate duplicates Z: 22 11.645 1.802 0.362 0.511 0.810 0.571 CB 1.265 9 residues pruned to eliminate duplicates Z: 9 16.135 2.055 0.372 0.890 1.000 1.000 CB 1.455 9 residues pruned to eliminate duplicates Z: 10 5.245 1.976 0.346 0.486 1.000 0.667 CB 0.667 10 residues pruned to eliminate duplicates Z: 7 2.678 1.404 0.594 0.468 0.667 0.333 CB 0.757 Z: 7 17.701 2.187 0.369 0.860 1.000 1.000 CB 1.773 8 residues pruned to eliminate duplicates Z: 14 14.341 1.742 0.493 0.836 0.923 0.462 CB 1.241 14 residues pruned to eliminate duplicates Z: 18 15.545 2.034 0.654 0.564 0.706 0.588 CB 1.492 20 residues pruned to eliminate duplicates Z: 17 14.054 2.189 0.535 0.501 0.750 0.562 CB 1.393 17 residues pruned to eliminate duplicates Z: 9 7.816 1.824 0.555 0.429 0.750 0.625 CA 1.397 Z: 15 8.270 1.847 0.384 0.388 0.857 0.571 CB 1.135 15 residues pruned to eliminate duplicates Z: 15 18.776 1.953 0.287 0.874 1.000 0.857 CA 1.454 15 residues pruned to eliminate duplicates Z: 8 5.379 1.613 0.701 0.535 0.714 0.571 CA 1.002 8 residues pruned to eliminate duplicates Z: 6 6.034 1.694 0.677 0.570 0.800 0.800 CB 1.110 6 residues pruned to eliminate duplicates Z: 16 16.565 1.916 0.253 0.851 0.933 0.867 CA 1.413 16 residues pruned to eliminate duplicates Z: 13 8.809 1.694 0.567 0.482 0.917 0.417 CB 1.065 13 residues pruned to eliminate duplicates Z: 19 24.285 1.904 0.682 0.902 1.000 0.611 CB 1.275 18 residues pruned to eliminate duplicates Z: 6 2.524 1.364 -0.071 0.297 1.000 0.800 N 1.117 7 1.407 1.619 0.031 0.279 0.833 0.333 CB 0.530 ? Z: 8 2.807 1.300 0.404 0.383 0.714 0.429 CA 0.922 Z: 13 8.792 1.987 0.297 0.576 0.750 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 9 12.063 2.015 0.276 0.832 0.875 0.750 CA 1.424 9 residues pruned to eliminate duplicates Z: 16 10.107 1.533 0.282 0.826 1.000 0.800 CB 1.001 15 residues pruned to eliminate duplicates Z: 9 2.426 1.409 0.464 0.241 0.625 0.125 CB 0.898 Z: 7 5.449 1.442 0.436 0.717 1.000 0.500 CB 0.883 7 residues pruned to eliminate duplicates Z: 13 29.547 2.162 0.647 0.917 1.000 0.333 CB 1.690 13 residues pruned to eliminate duplicates Z: 16 7.691 1.705 0.578 0.236 0.733 0.333 CB 1.368 13 residues pruned to eliminate duplicates Z: 10 8.448 1.882 0.054 0.675 0.889 0.556 CB 1.360 8 residues pruned to eliminate duplicates Z: 35 20.265 2.067 0.706 0.367 0.912 0.588 CB 1.247 35 residues pruned to eliminate duplicates Z: 26 23.867 2.212 0.415 0.673 0.920 0.720 CB 1.413 26 residues pruned to eliminate duplicates Z: 10 6.742 1.712 0.278 0.815 0.778 0.667 CB 1.005 10 residues pruned to eliminate duplicates Z: 8 12.211 1.753 0.626 0.840 0.857 0.714 CB 1.410 8 residues pruned to eliminate duplicates Z: 12 16.626 1.914 0.621 0.559 1.000 0.727 CA 1.525 12 residues pruned to eliminate duplicates Z: 20 23.121 1.838 0.711 0.896 0.895 0.842 CB 1.350 25 residues pruned to eliminate duplicates Z: 6 2.597 1.778 0.047 0.328 0.800 0.800 CB 0.942 Z: 17 18.126 1.880 0.440 0.758 1.000 0.812 CA 1.330 16 residues pruned to eliminate duplicates 6 1.847 1.322 0.605 0.514 0.800 0.400 N 0.480 ? Z: 16 9.227 1.662 0.592 0.550 0.933 0.600 CB 0.919 7 residues pruned to eliminate duplicates Z: 8 8.134 1.682 0.506 0.865 0.857 0.571 CB 1.037 8 residues pruned to eliminate duplicates Z: 8 4.049 1.417 0.104 0.742 0.857 0.857 N 0.919 6 residues pruned to eliminate duplicates Z: 13 22.582 1.804 0.985 0.792 0.917 0.667 N 1.537 13 residues pruned to eliminate duplicates Z: 6 4.208 1.585 0.173 0.696 0.800 0.600 CB 1.058 Z: 6 10.725 1.865 0.453 0.872 1.000 1.000 CB 1.290 6 residues pruned to eliminate duplicates Z: 11 6.477 1.845 0.084 0.829 0.800 0.700 CB 0.964 11 residues pruned to eliminate duplicates Z: 7 3.300 1.530 0.528 0.248 0.667 0.333 N 1.156 Z: 8 15.810 2.096 0.205 0.899 1.000 0.857 CB 1.692 8 residues pruned to eliminate duplicates Z: 11 9.131 1.744 0.469 0.798 0.900 0.700 CB 0.965 11 residues pruned to eliminate duplicates Z: 9 3.636 1.469 0.623 0.281 0.750 0.500 CB 0.920 Z: 11 13.372 1.707 0.438 0.880 1.000 0.800 CB 1.248 11 residues pruned to eliminate duplicates 6 1.623 1.186 0.425 0.487 0.600 0.600 N 0.725 ? Z: 8 7.250 1.586 0.394 0.595 0.857 0.571 N 1.320 8 residues pruned to eliminate duplicates Z: 13 20.963 1.954 0.625 0.739 0.917 0.667 CA 1.679 13 residues pruned to eliminate duplicates Z: 21 15.924 1.701 0.354 0.880 0.900 0.650 CB 1.245 21 residues pruned to eliminate duplicates Z: 20 12.952 1.989 0.455 0.525 0.842 0.579 CB 1.190 20 residues pruned to eliminate duplicates Z: 12 16.728 1.897 0.508 0.876 0.909 0.909 CA 1.409 13 residues pruned to eliminate duplicates Z: 44 46.758 2.107 0.832 0.809 0.930 0.535 CB 1.518 44 residues pruned to eliminate duplicates Z: 9 4.660 1.498 0.379 0.394 0.750 0.500 CB 1.189 7 residues pruned to eliminate duplicates Z: 15 18.456 1.728 0.585 0.866 0.929 0.714 CA 1.420 15 residues pruned to eliminate duplicates Z: 8 2.779 1.239 1.276 0.470 0.429 0.429 O 0.896 Z: 49 19.721 1.840 0.542 0.483 0.833 0.667 CB 1.224 36 residues pruned to eliminate duplicates Z: 17 11.802 1.505 0.472 0.728 0.938 0.812 CB 1.157 17 residues pruned to eliminate duplicates Z: 8 17.821 2.208 0.483 0.819 1.000 0.429 CB 1.559 8 residues pruned to eliminate duplicates Z: 7 5.041 1.359 0.350 0.853 1.000 0.833 CA 0.829 7 residues pruned to eliminate duplicates Z: 27 26.064 2.073 0.503 0.614 1.000 0.654 CB 1.473 25 residues pruned to eliminate duplicates Z: 6 2.575 1.581 -0.003 0.612 0.800 0.400 O 0.821 6 residues pruned to eliminate duplicates Z: 13 13.033 1.819 0.384 0.815 0.917 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 42 44.100 2.116 0.720 0.821 0.927 0.512 CB 1.546 42 residues pruned to eliminate duplicates Z: 7 5.460 1.777 0.144 0.637 1.000 0.833 CB 0.964 Z: 6 8.656 1.558 0.489 0.836 1.000 0.800 O 1.248 Z: 12 23.401 2.068 0.856 0.739 1.000 0.455 CB 1.484 12 residues pruned to eliminate duplicates Z: 16 11.376 1.673 0.453 0.658 0.867 0.667 CB 1.205 16 residues pruned to eliminate duplicates Z: 10 13.584 2.080 0.357 0.670 1.000 0.667 CB 1.371 32 residues pruned to eliminate duplicates Z: 22 18.783 1.751 0.459 0.872 0.952 0.810 CB 1.228 20 residues pruned to eliminate duplicates Z: 6 2.748 1.399 0.220 0.414 1.000 0.600 N 0.787 6 residues pruned to eliminate duplicates Z: 8 4.430 1.686 0.355 0.804 0.857 0.714 CB 0.656 8 residues pruned to eliminate duplicates Z: 10 11.484 1.783 0.462 0.763 0.889 0.444 CB 1.308 10 residues pruned to eliminate duplicates Z: 6 3.896 1.396 0.825 0.692 0.600 0.600 CA 0.957 Z: 6 2.824 1.514 -0.017 0.447 1.000 0.800 CB 0.896 Z: 6 2.756 1.364 0.300 0.640 1.000 1.000 CB 0.610 Z: 9 17.204 2.019 0.364 0.840 1.000 0.625 CB 1.649 9 residues pruned to eliminate duplicates Z: 6 2.198 1.256 0.943 0.416 0.600 0.400 CA 0.734 Z: 16 10.470 1.793 0.305 0.596 0.733 0.533 CB 1.438 16 residues pruned to eliminate duplicates Z: 8 3.724 1.462 0.417 0.327 0.714 0.286 N 1.150 Z: 26 17.288 1.912 0.763 0.477 0.800 0.520 CB 1.312 26 residues pruned to eliminate duplicates 6 1.611 1.201 0.678 0.286 0.800 0.400 CB 0.568 ? Z: 21 20.437 1.927 0.731 0.708 0.900 0.450 CB 1.260 21 residues pruned to eliminate duplicates 6 1.413 1.629 -0.075 0.100 0.600 0.400 C 1.164 ? Z: 9 7.893 1.729 0.246 0.768 0.750 0.625 O 1.362 9 residues pruned to eliminate duplicates 7 1.702 1.377 0.193 0.126 0.667 0.167 CB 1.014 ? Z: 7 9.431 1.587 0.980 0.882 1.000 1.000 CB 0.886 6 residues pruned to eliminate duplicates Z: 26 22.712 2.269 0.523 0.407 0.880 0.600 CB 1.646 28 residues pruned to eliminate duplicates Z: 17 10.328 1.644 0.014 0.812 0.875 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 22 21.669 2.111 0.590 0.625 0.905 0.714 CB 1.384 36 residues pruned to eliminate duplicates Z: 9 12.805 1.843 0.725 0.871 0.875 0.500 CB 1.187 9 residues pruned to eliminate duplicates Z: 6 2.135 1.238 0.473 0.461 0.800 0.400 CA 0.681 Z: 24 22.768 1.994 0.658 0.662 0.957 0.478 CB 1.292 24 residues pruned to eliminate duplicates Z: 6 8.728 1.813 0.434 0.684 1.000 0.800 CB 1.269 6 residues pruned to eliminate duplicates Z: 33 18.639 1.939 0.547 0.514 0.906 0.594 CB 1.196 33 residues pruned to eliminate duplicates Z: 6 3.900 1.631 0.610 0.486 0.600 0.600 CB 1.123 Z: 13 13.371 1.922 0.211 0.809 1.000 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 15 16.380 1.796 0.396 0.883 1.000 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 14 18.779 1.657 0.867 0.858 0.923 0.846 CB 1.343 14 residues pruned to eliminate duplicates Z: 15 14.982 1.794 0.391 0.819 0.857 0.857 CA 1.419 15 residues pruned to eliminate duplicates Z: 12 17.135 1.742 0.755 0.865 0.909 0.364 CB 1.362 12 residues pruned to eliminate duplicates Z: 12 10.081 1.592 0.300 0.849 0.909 0.727 CB 1.197 12 residues pruned to eliminate duplicates Z: 17 19.668 1.841 0.724 0.839 0.875 0.188 CB 1.322 17 residues pruned to eliminate duplicates Z: 12 6.322 1.916 0.352 0.195 0.818 0.455 CB 1.294 12 residues pruned to eliminate duplicates Z: 11 14.293 1.960 0.223 0.875 1.000 0.800 CB 1.371 11 residues pruned to eliminate duplicates Z: 14 15.912 1.640 0.540 0.882 1.000 0.846 CB 1.265 14 residues pruned to eliminate duplicates Z: 13 16.303 2.011 0.069 0.910 1.000 0.917 CB 1.554 13 residues pruned to eliminate duplicates Z: 11 4.587 1.415 0.404 0.388 1.000 0.400 CB 0.822 10 residues pruned to eliminate duplicates Z: 18 9.121 1.595 0.554 0.444 0.882 0.529 CB 1.071 18 residues pruned to eliminate duplicates Z: 13 14.761 1.613 0.721 0.876 1.000 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 7 4.381 1.835 0.340 0.174 0.833 0.833 N 1.296 7 residues pruned to eliminate duplicates Z: 9 3.407 1.413 -0.045 0.859 1.000 0.875 CB 0.657 9 residues pruned to eliminate duplicates Z: 7 6.326 1.457 0.627 0.483 1.000 0.667 CB 1.108 Z: 13 30.644 2.210 1.169 0.837 0.833 0.250 CB 1.657 13 residues pruned to eliminate duplicates Z: 6 3.241 1.592 0.080 0.684 0.800 0.600 CB 0.890 6 residues pruned to eliminate duplicates Z: 13 6.233 1.530 0.381 0.403 0.833 0.583 CB 1.131 Z: 6 3.549 1.522 0.341 0.494 0.800 0.600 CB 0.978 Z: 21 20.536 1.755 0.688 0.688 0.950 0.800 CB 1.373 20 residues pruned to eliminate duplicates Z: 20 28.852 2.155 0.535 0.811 0.947 0.737 CB 1.611 20 residues pruned to eliminate duplicates Z: 15 16.232 1.849 0.494 0.593 1.000 0.786 CB 1.437 18 residues pruned to eliminate duplicates Z: 10 15.864 1.869 0.753 0.822 1.000 0.778 CB 1.222 10 residues pruned to eliminate duplicates Z: 19 12.399 1.908 0.434 0.515 0.778 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 8 15.715 2.031 0.543 0.808 1.000 0.714 CB 1.449 8 residues pruned to eliminate duplicates Z: 12 10.776 1.890 0.092 0.847 1.000 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 31 40.054 2.200 0.991 0.644 0.933 0.567 CB 1.564 31 residues pruned to eliminate duplicates Z: 9 2.089 1.334 0.524 0.240 0.625 0.500 CB 0.785 Z: 8 10.611 1.501 0.822 0.867 1.000 0.857 CB 1.072 7 residues pruned to eliminate duplicates Z: 7 5.526 1.537 0.414 0.638 0.833 0.833 CB 1.094 Z: 8 12.151 1.649 0.513 0.882 1.000 0.857 CB 1.332 8 residues pruned to eliminate duplicates Z: 8 7.385 1.465 0.219 0.766 1.000 0.571 CB 1.235 Z: 16 24.707 1.903 0.604 0.923 1.000 0.933 CA 1.469 17 residues pruned to eliminate duplicates Z: 12 12.188 1.895 0.240 0.826 0.909 0.455 CB 1.297 12 residues pruned to eliminate duplicates Z: 19 22.871 1.886 0.680 0.893 1.000 0.889 CB 1.221 19 residues pruned to eliminate duplicates Z: 11 7.955 1.846 -0.033 0.827 0.900 0.700 CB 1.180 11 residues pruned to eliminate duplicates 6 1.976 1.217 0.887 0.861 0.800 0.400 CB 0.353 ? Z: 27 24.588 2.025 0.472 0.655 0.962 0.731 CB 1.457 27 residues pruned to eliminate duplicates Z: 15 5.642 1.608 0.555 0.371 0.786 0.429 CB 0.881 15 residues pruned to eliminate duplicates Z: 13 16.374 1.847 0.518 0.881 0.917 0.833 CA 1.332 13 residues pruned to eliminate duplicates Z: 12 6.757 1.674 0.271 0.591 0.818 0.636 CB 1.073 12 residues pruned to eliminate duplicates Z: 7 4.233 1.477 0.694 0.497 0.667 0.500 N 1.039 5 residues pruned to eliminate duplicates 6 1.957 1.467 0.107 0.481 0.800 0.200 N 0.687 ? Z: 16 11.442 1.731 0.412 0.607 0.800 0.533 N 1.365 12 residues pruned to eliminate duplicates Z: 6 3.278 1.329 0.430 0.439 1.000 0.400 CA 0.822 Z: 10 14.552 2.062 0.642 0.834 0.889 0.889 CB 1.208 10 residues pruned to eliminate duplicates Z: 9 6.179 1.866 0.050 0.720 0.875 0.750 CB 1.045 11 residues pruned to eliminate duplicates Z: 8 10.872 1.665 0.583 0.870 0.857 0.429 CB 1.328 8 residues pruned to eliminate duplicates Z: 6 8.502 1.894 0.454 0.571 1.000 0.400 CA 1.289 6 residues pruned to eliminate duplicates Z: 8 5.812 1.559 0.529 0.637 0.857 0.714 CB 0.946 6 residues pruned to eliminate duplicates Z: 11 5.547 1.562 0.290 0.444 0.900 0.700 CA 1.025 11 residues pruned to eliminate duplicates Z: 8 4.204 1.812 0.220 0.495 0.714 0.714 CB 1.011 8 residues pruned to eliminate duplicates Z: 9 11.508 1.913 0.351 0.749 1.000 0.750 CB 1.261 10 residues pruned to eliminate duplicates Z: 8 2.578 1.304 0.267 0.332 0.714 0.429 CB 0.992 Z: 15 14.660 1.789 0.825 0.705 0.857 0.714 CB 1.162 15 residues pruned to eliminate duplicates Z: 6 2.729 1.855 1.072 0.435 0.600 0.400 CB 0.566 6 residues pruned to eliminate duplicates Z: 15 6.274 1.813 0.442 0.416 0.786 0.429 CB 0.891 15 residues pruned to eliminate duplicates Z: 6 3.811 1.587 0.491 0.462 0.800 0.400 CB 0.936 Z: 12 6.597 1.823 0.467 0.414 0.727 0.636 CB 1.120 12 residues pruned to eliminate duplicates Z: 8 5.366 1.603 0.148 0.790 1.000 0.571 CB 0.855 8 residues pruned to eliminate duplicates Z: 6 2.667 1.686 0.754 0.297 0.800 0.400 N 0.632 Z: 6 4.542 1.512 0.291 0.546 0.800 0.600 CA 1.244 Z: 11 17.104 1.997 0.630 0.906 1.000 0.600 CB 1.182 11 residues pruned to eliminate duplicates Z: 8 9.087 1.740 0.471 0.600 1.000 0.714 CA 1.219 Z: 15 26.860 2.244 0.964 0.584 0.929 0.214 CB 1.618 15 residues pruned to eliminate duplicates Z: 38 22.189 2.011 0.483 0.583 0.892 0.541 CB 1.266 38 residues pruned to eliminate duplicates Z: 11 5.835 1.514 0.561 0.374 0.900 0.300 CB 0.992 11 residues pruned to eliminate duplicates Z: 26 30.890 2.083 0.970 0.660 0.920 0.800 CB 1.411 25 residues pruned to eliminate duplicates Z: 6 2.875 1.374 0.117 0.552 0.800 0.600 CB 0.996 6 residues pruned to eliminate duplicates Z: 13 14.277 1.698 0.338 0.907 1.000 0.917 CB 1.289 13 residues pruned to eliminate duplicates Z: 26 24.583 2.018 0.663 0.682 0.920 0.600 CB 1.347 26 residues pruned to eliminate duplicates Z: 8 2.844 1.340 0.517 0.471 0.857 0.286 CB 0.636 8 residues pruned to eliminate duplicates Z: 10 8.889 1.723 0.599 0.374 0.889 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 11 11.124 1.783 0.365 0.778 0.900 0.500 CB 1.257 11 residues pruned to eliminate duplicates Z: 16 26.767 1.965 0.740 0.847 1.000 0.733 CA 1.500 16 residues pruned to eliminate duplicates Z: 8 13.764 2.052 0.747 0.565 0.857 0.571 N 1.590 9 1.814 1.138 0.102 0.510 0.750 0.375 CB 0.674 ? Z: 24 13.569 1.784 0.383 0.589 0.870 0.522 CB 1.211 24 residues pruned to eliminate duplicates Z: 8 12.433 1.780 0.698 0.820 0.857 0.571 CB 1.374 8 residues pruned to eliminate duplicates 8 1.747 1.582 0.153 0.307 0.571 0.286 CB 0.785 ? Z: 6 9.874 2.231 0.356 0.725 1.000 0.800 CB 1.192 6 residues pruned to eliminate duplicates Z: 12 12.487 1.926 0.509 0.511 0.909 0.636 CB 1.409 12 residues pruned to eliminate duplicates Z: 14 9.764 1.807 0.311 0.521 0.846 0.385 CB 1.323 14 residues pruned to eliminate duplicates Z: 16 20.913 1.900 0.593 0.818 0.933 0.800 CB 1.450 16 residues pruned to eliminate duplicates Z: 27 25.698 2.191 0.516 0.516 0.923 0.654 CB 1.617 26 residues pruned to eliminate duplicates Z: 12 8.575 1.954 0.568 0.420 0.727 0.455 CB 1.261 12 residues pruned to eliminate duplicates Z: 7 9.039 1.580 0.484 0.784 1.000 1.000 CB 1.225 7 residues pruned to eliminate duplicates Z: 13 9.375 1.855 0.368 0.383 0.917 0.583 CB 1.318 Z: 6 3.554 1.491 0.259 0.397 0.800 0.400 O 1.179 Z: 10 4.916 1.803 0.271 0.409 0.778 0.667 CB 1.012 10 residues pruned to eliminate duplicates Z: 7 10.189 1.645 0.554 0.797 1.000 0.667 CA 1.254 Z: 11 8.712 1.809 0.418 0.513 0.800 0.700 CA 1.326 12 residues pruned to eliminate duplicates Z: 6 4.512 1.773 0.178 0.565 1.000 0.800 CB 0.908 Z: 7 3.910 1.534 0.424 0.317 0.667 0.500 C 1.342 7 residues pruned to eliminate duplicates 7 1.584 1.264 0.047 0.248 0.667 0.500 CB 0.979 ? Z: 16 3.509 1.455 0.361 0.349 0.600 0.267 CB 0.898 9 residues pruned to eliminate duplicates Z: 31 26.282 2.188 0.488 0.495 0.900 0.600 CB 1.646 31 residues pruned to eliminate duplicates Z: 14 19.945 1.898 0.521 0.928 1.000 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 11 5.799 1.940 0.301 0.343 0.700 0.600 CB 1.232 10 residues pruned to eliminate duplicates Z: 6 4.381 1.643 0.576 0.467 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 7 8.789 1.667 0.570 0.768 0.833 0.667 N 1.298 7 residues pruned to eliminate duplicates Z: 13 6.333 1.781 0.084 0.530 0.750 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 6 2.593 1.489 -0.001 0.286 0.800 0.600 N 1.240 Z: 10 8.976 1.932 0.786 0.683 0.778 0.222 CB 0.942 10 residues pruned to eliminate duplicates Z: 17 16.898 2.060 0.638 0.656 0.875 0.750 CB 1.238 17 residues pruned to eliminate duplicates Z: 7 12.578 1.609 1.466 0.739 0.833 0.667 O 1.253 7 residues pruned to eliminate duplicates Z: 7 8.281 1.774 0.171 0.873 1.000 0.833 CB 1.186 7 residues pruned to eliminate duplicates Z: 17 18.592 1.931 0.525 0.693 1.000 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 9 12.058 1.668 0.826 0.903 1.000 0.750 CB 0.998 9 residues pruned to eliminate duplicates Z: 6 4.544 1.484 0.321 0.467 1.000 0.600 CA 1.072 6 residues pruned to eliminate duplicates 7 1.801 1.513 0.364 0.391 0.833 0.500 CB 0.480 ? Z: 15 6.565 1.484 0.293 0.405 0.786 0.429 CB 1.286 9 residues pruned to eliminate duplicates Z: 38 30.149 2.023 0.723 0.637 0.865 0.649 CB 1.446 33 residues pruned to eliminate duplicates Z: 17 31.209 2.021 0.758 0.908 0.938 0.938 CB 1.664 17 residues pruned to eliminate duplicates 6 1.314 1.295 0.260 0.100 0.600 0.200 N 1.000 ? Z: 6 2.315 1.534 0.929 0.467 0.400 0.400 CB 0.904 Z: 12 15.165 2.123 0.390 0.635 0.818 0.545 CB 1.668 12 residues pruned to eliminate duplicates Z: 7 4.614 1.523 0.289 0.478 0.833 0.667 C 1.177 Z: 13 13.110 1.830 0.300 0.778 0.833 0.750 CA 1.494 13 residues pruned to eliminate duplicates Z: 12 15.144 1.808 0.571 0.820 0.909 0.727 CB 1.340 12 residues pruned to eliminate duplicates Z: 10 6.580 1.632 0.750 0.205 0.889 0.333 CB 1.226 8 residues pruned to eliminate duplicates Z: 37 18.426 1.990 0.484 0.424 0.889 0.444 CB 1.266 37 residues pruned to eliminate duplicates Z: 6 3.059 1.456 0.156 0.422 0.800 0.400 CA 1.102 Z: 16 13.381 1.611 0.194 0.890 1.000 0.933 CB 1.292 16 residues pruned to eliminate duplicates Z: 7 8.115 1.511 0.640 0.823 1.000 0.667 CB 1.010 7 residues pruned to eliminate duplicates Z: 7 2.545 1.457 0.076 0.402 0.833 0.500 O 0.881 7 residues pruned to eliminate duplicates Z: 6 4.554 1.502 0.396 0.836 1.000 0.800 CB 0.728 6 residues pruned to eliminate duplicates Z: 25 16.620 1.682 0.328 0.868 0.958 0.708 CB 1.158 23 residues pruned to eliminate duplicates Z: 13 3.501 1.446 -0.071 0.427 0.833 0.500 CB 0.974 26 residues pruned to eliminate duplicates Z: 11 17.479 1.993 0.495 0.872 1.000 0.900 CA 1.352 11 residues pruned to eliminate duplicates Z: 8 14.958 1.959 0.568 0.801 1.000 0.714 CA 1.415 8 residues pruned to eliminate duplicates Z: 7 3.504 1.344 0.105 0.355 1.000 0.667 N 1.126 Z: 6 2.722 1.207 0.656 0.551 0.800 0.600 CB 0.724 Z: 10 6.690 1.753 0.915 0.263 0.778 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 21 33.902 2.172 0.793 0.930 0.950 0.550 CB 1.433 21 residues pruned to eliminate duplicates Z: 9 6.871 1.427 0.691 0.753 0.875 0.500 CB 0.918 9 residues pruned to eliminate duplicates Z: 15 21.996 1.950 0.846 0.834 0.857 0.286 CB 1.428 15 residues pruned to eliminate duplicates Z: 16 7.320 1.597 0.496 0.537 0.867 0.200 CB 0.880 16 residues pruned to eliminate duplicates Z: 15 15.886 1.828 0.377 0.895 0.786 0.643 CA 1.539 15 residues pruned to eliminate duplicates Z: 9 12.568 1.996 0.754 0.549 1.000 0.625 CB 1.210 7 residues pruned to eliminate duplicates Z: 20 13.651 2.005 0.456 0.483 0.842 0.579 CB 1.295 20 residues pruned to eliminate duplicates Z: 11 8.123 1.602 0.613 0.452 1.000 0.700 CB 1.044 11 residues pruned to eliminate duplicates Z: 8 5.215 1.292 0.667 0.587 0.857 0.429 CB 0.982 Z: 7 3.067 1.090 1.023 0.630 0.833 0.667 CA 0.603 Z: 9 2.104 1.710 -0.025 0.359 0.625 0.250 CB 0.831 6 residues pruned to eliminate duplicates Z: 7 3.379 1.360 0.110 0.409 0.833 0.333 N 1.205 Z: 14 16.267 1.730 0.531 0.830 1.000 0.615 CB 1.281 18 residues pruned to eliminate duplicates Z: 6 3.410 1.407 0.592 0.311 0.800 0.400 CB 1.049 Z: 15 13.251 1.673 0.848 0.583 0.929 0.571 CB 1.139 13 residues pruned to eliminate duplicates Z: 13 18.979 1.906 0.360 0.948 1.000 0.917 CB 1.460 13 residues pruned to eliminate duplicates Z: 9 5.036 1.395 0.662 0.327 1.000 0.500 CB 0.929 Z: 6 4.068 1.602 0.437 0.544 0.800 0.200 CB 0.946 Z: 6 3.363 1.548 0.383 0.394 0.600 0.600 CA 1.310 6 residues pruned to eliminate duplicates Z: 10 5.294 1.342 0.477 0.393 0.889 0.556 CB 1.121 Z: 7 7.050 1.640 0.186 0.856 1.000 0.500 CB 1.091 7 residues pruned to eliminate duplicates Z: 16 11.992 1.844 0.905 0.519 0.733 0.667 CB 1.180 16 residues pruned to eliminate duplicates Z: 6 6.210 1.629 0.455 0.621 1.000 0.800 N 1.046 6 residues pruned to eliminate duplicates Z: 16 17.482 1.912 0.321 0.819 0.933 0.533 CA 1.453 16 residues pruned to eliminate duplicates Z: 18 14.778 2.043 0.407 0.550 0.882 0.294 CB 1.346 18 residues pruned to eliminate duplicates Z: 9 4.326 1.518 0.860 0.382 0.625 0.500 CB 0.983 Z: 16 9.530 1.761 0.272 0.453 0.933 0.600 CB 1.235 14 residues pruned to eliminate duplicates 7 1.080 1.523 -0.319 0.199 0.833 0.333 CB 0.730 ? Z: 8 8.561 1.868 0.324 0.549 0.857 0.714 CB 1.455 8 residues pruned to eliminate duplicates Z: 7 7.892 1.590 0.650 0.780 1.000 0.833 CA 0.959 8 residues pruned to eliminate duplicates Z: 10 14.876 1.887 0.703 0.850 1.000 0.778 CB 1.143 11 residues pruned to eliminate duplicates Z: 12 9.462 1.921 0.260 0.692 0.909 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 6 9.800 1.882 0.451 0.777 1.000 0.800 CB 1.256 6 residues pruned to eliminate duplicates Z: 15 21.114 1.892 0.615 0.914 0.929 0.643 CB 1.406 15 residues pruned to eliminate duplicates Z: 14 4.242 1.381 0.493 0.157 0.769 0.231 CB 1.130 Z: 17 15.402 1.852 0.367 0.778 0.875 0.625 CA 1.361 17 residues pruned to eliminate duplicates Z: 7 3.587 1.665 0.043 0.469 1.000 0.500 CB 0.870 Z: 13 19.201 1.712 1.036 0.888 1.000 0.667 CB 1.145 13 residues pruned to eliminate duplicates Z: 7 5.901 1.484 0.202 0.569 1.000 0.667 O 1.263 Z: 12 12.501 1.836 0.456 0.911 0.909 0.818 CB 1.099 12 residues pruned to eliminate duplicates Z: 19 23.439 2.090 0.676 0.715 0.889 0.389 CB 1.461 19 residues pruned to eliminate duplicates Z: 18 11.034 1.749 0.275 0.555 0.882 0.529 CB 1.288 18 residues pruned to eliminate duplicates Z: 6 6.583 1.552 0.636 0.475 1.000 0.600 CA 1.190 Z: 7 2.183 1.690 0.405 0.203 0.500 0.333 C 1.067 7 residues pruned to eliminate duplicates Z: 10 8.562 1.615 0.394 0.870 1.000 0.778 CB 0.926 10 residues pruned to eliminate duplicates Z: 22 22.719 1.752 0.786 0.907 0.952 0.524 CB 1.182 22 residues pruned to eliminate duplicates Z: 6 3.798 1.466 0.444 0.405 0.800 0.800 O 1.107 Z: 8 4.044 1.467 0.329 0.487 0.857 0.286 CB 0.927 Z: 12 16.179 1.987 0.611 0.656 0.909 0.909 CB 1.450 12 residues pruned to eliminate duplicates Z: 6 9.747 2.005 0.234 0.775 1.000 0.800 CA 1.382 6 residues pruned to eliminate duplicates Z: 19 19.444 1.886 0.780 0.823 0.722 0.278 CB 1.429 19 residues pruned to eliminate duplicates Z: 8 7.009 1.593 0.221 0.738 0.857 0.571 CB 1.284 8 residues pruned to eliminate duplicates Z: 21 11.126 1.449 0.484 0.850 0.900 0.350 CB 0.953 20 residues pruned to eliminate duplicates Z: 16 15.734 1.764 0.483 0.598 1.000 0.667 CA 1.414 16 residues pruned to eliminate duplicates Z: 6 4.625 1.471 0.228 0.732 1.000 1.000 CB 0.930 Z: 11 8.514 1.714 0.297 0.850 0.900 0.700 CB 0.996 20 residues pruned to eliminate duplicates Z: 7 5.825 1.329 0.689 0.520 1.000 0.667 CB 1.039 Z: 11 20.358 2.040 0.589 0.888 1.000 0.900 CB 1.431 11 residues pruned to eliminate duplicates Z: 6 6.159 1.423 0.691 0.828 0.800 0.600 CB 1.078 Z: 9 8.777 1.765 0.266 0.574 1.000 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 16 12.196 1.981 0.545 0.553 0.667 0.467 CB 1.465 16 residues pruned to eliminate duplicates Z: 11 12.760 1.907 0.480 0.601 1.000 0.900 CB 1.298 12 residues pruned to eliminate duplicates Z: 14 8.077 1.781 0.327 0.475 0.846 0.615 CB 1.150 14 residues pruned to eliminate duplicates Z: 7 9.576 1.677 0.766 0.683 1.000 0.667 CB 1.116 7 residues pruned to eliminate duplicates 6 1.940 1.335 0.455 0.373 0.800 0.600 CB 0.640 ? Z: 6 3.745 1.386 0.533 0.502 0.800 0.400 CB 0.983 2 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.278 1.744 0.491 0.692 0.833 0.667 N 0.834 Z: 7 10.621 1.611 0.880 0.736 1.000 0.667 N 1.158 7 residues pruned to eliminate duplicates Z: 6 7.227 1.612 0.705 0.770 0.800 0.600 N 1.156 6 residues pruned to eliminate duplicates Z: 20 16.207 1.942 0.416 0.619 0.947 0.526 CB 1.276 17 residues pruned to eliminate duplicates Z: 11 22.011 1.974 0.644 0.799 1.000 0.700 CA 1.651 11 residues pruned to eliminate duplicates Z: 20 10.743 1.882 0.559 0.504 0.684 0.526 CB 1.222 20 residues pruned to eliminate duplicates Z: 19 12.335 2.039 0.466 0.476 0.778 0.333 CB 1.281 19 residues pruned to eliminate duplicates Z: 20 16.021 1.990 0.619 0.527 0.895 0.579 CB 1.241 20 residues pruned to eliminate duplicates Z: 15 12.184 2.157 0.501 0.569 0.714 0.571 CB 1.316 15 residues pruned to eliminate duplicates Z: 17 16.598 2.084 0.451 0.608 0.875 0.625 CB 1.415 17 residues pruned to eliminate duplicates Z: 15 14.922 2.172 0.447 0.652 0.857 0.714 CB 1.284 20 residues pruned to eliminate duplicates Z: 13 28.936 2.246 0.748 0.921 1.000 0.833 CA 1.498 13 residues pruned to eliminate duplicates Z: 21 29.197 2.248 0.645 0.712 0.950 0.850 CB 1.534 21 residues pruned to eliminate duplicates Z: 28 26.372 2.086 0.955 0.586 0.852 0.741 CB 1.345 28 residues pruned to eliminate duplicates Z: 21 20.144 2.051 0.682 0.607 0.850 0.550 CB 1.388 21 residues pruned to eliminate duplicates Z: 26 25.717 2.103 0.739 0.661 0.880 0.800 CB 1.376 26 residues pruned to eliminate duplicates Z: 17 24.261 2.143 0.936 0.677 0.875 0.750 CB 1.419 17 residues pruned to eliminate duplicates Z: 28 30.192 2.119 0.852 0.606 0.852 0.741 CB 1.571 28 residues pruned to eliminate duplicates Z: 28 27.029 2.105 0.885 0.596 0.852 0.741 CB 1.404 30 residues pruned to eliminate duplicates Z: 15 24.865 2.030 0.736 0.884 1.000 0.857 CA 1.363 15 residues pruned to eliminate duplicates Z: 15 16.501 2.106 0.417 0.676 0.857 0.643 CB 1.465 15 residues pruned to eliminate duplicates Z: 15 19.010 2.122 0.481 0.685 0.929 0.714 CB 1.469 15 residues pruned to eliminate duplicates Z: 18 18.562 2.032 0.396 0.691 0.941 0.765 CB 1.416 18 residues pruned to eliminate duplicates Z: 18 19.507 1.972 0.485 0.607 0.941 0.647 CB 1.550 18 residues pruned to eliminate duplicates Z: 25 23.699 2.163 0.640 0.605 0.875 0.542 CB 1.410 25 residues pruned to eliminate duplicates Z: 30 24.225 2.064 0.670 0.591 0.897 0.655 CB 1.334 78 residues pruned to eliminate duplicates Z: 15 21.722 2.126 0.488 0.679 0.929 0.643 CB 1.676 Z: 12 22.589 2.316 0.448 0.799 0.909 0.727 CB 1.720 13 residues pruned to eliminate duplicates Z: 12 32.995 2.320 0.768 0.843 1.000 0.727 CB 1.807 14 residues pruned to eliminate duplicates Z: 13 26.973 2.015 1.159 0.853 1.000 0.583 CB 1.323 13 residues pruned to eliminate duplicates Z: 35 43.994 2.188 0.943 0.727 0.912 0.588 CB 1.586 44 residues pruned to eliminate duplicates Z: 14 21.045 1.910 0.634 0.850 0.923 0.615 CB 1.502 14 residues pruned to eliminate duplicates Z: 21 19.910 1.900 0.785 0.748 0.850 0.500 CB 1.238 21 residues pruned to eliminate duplicates Z: 35 51.033 2.209 1.018 0.733 0.971 0.676 CB 1.640 35 residues pruned to eliminate duplicates Z: 13 24.146 1.938 0.824 0.832 1.000 0.833 CA 1.481 13 residues pruned to eliminate duplicates Z: 10 6.824 1.542 0.365 0.647 0.889 0.333 CA 1.060 Z: 13 31.695 1.990 1.101 0.899 1.000 0.917 CB 1.564 13 residues pruned to eliminate duplicates Z: 21 32.080 2.235 0.714 0.690 0.950 0.850 CB 1.656 21 residues pruned to eliminate duplicates Z: 23 25.367 2.173 0.620 0.624 0.909 0.545 CB 1.503 23 residues pruned to eliminate duplicates Z: 21 34.885 2.267 0.821 0.646 1.000 0.500 CB 1.648 21 residues pruned to eliminate duplicates Z: 21 23.978 2.025 0.734 0.547 1.000 0.650 CB 1.458 21 residues pruned to eliminate duplicates Z: 25 24.875 2.087 0.706 0.550 0.917 0.625 CB 1.482 25 residues pruned to eliminate duplicates Z: 26 22.668 2.050 0.708 0.501 0.920 0.480 CB 1.406 26 residues pruned to eliminate duplicates Z: 24 23.647 2.086 0.616 0.615 0.913 0.478 CB 1.437 24 residues pruned to eliminate duplicates Z: 20 17.378 2.009 0.659 0.447 0.895 0.579 CB 1.412 20 residues pruned to eliminate duplicates Z: 24 29.178 2.108 0.618 0.657 1.000 0.435 CB 1.543 24 residues pruned to eliminate duplicates Z: 15 23.221 2.220 0.451 0.861 0.929 0.500 CB 1.526 15 residues pruned to eliminate duplicates Z: 34 27.288 2.071 0.545 0.624 0.879 0.606 CB 1.504 43 residues pruned to eliminate duplicates Z: 13 26.482 2.203 0.865 0.838 0.833 0.500 CB 1.668 13 residues pruned to eliminate duplicates Z: 24 22.386 2.134 0.537 0.589 0.870 0.565 CB 1.503 24 residues pruned to eliminate duplicates Z: 23 28.280 2.173 0.752 0.634 0.955 0.500 CB 1.462 23 residues pruned to eliminate duplicates Z: 23 29.897 2.168 0.732 0.642 0.955 0.682 CB 1.557 23 residues pruned to eliminate duplicates Z: 23 28.056 2.089 0.881 0.584 0.909 0.455 CB 1.544 23 residues pruned to eliminate duplicates Z: 26 21.726 2.049 0.686 0.573 0.800 0.440 CB 1.464 26 residues pruned to eliminate duplicates Z: 10 4.928 1.582 0.419 0.263 0.889 0.667 CB 1.078 Z: 16 18.523 1.919 0.597 0.738 0.867 0.467 CA 1.455 16 residues pruned to eliminate duplicates Z: 13 7.849 1.856 0.511 0.563 0.667 0.500 CB 1.140 13 residues pruned to eliminate duplicates Z: 17 14.468 1.804 0.386 0.620 0.812 0.500 CA 1.588 17 residues pruned to eliminate duplicates Z: 8 6.588 1.481 0.448 0.628 0.857 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 14 11.325 2.010 0.396 0.422 0.923 0.692 CB 1.315 Z: 7 7.235 2.049 0.316 0.466 0.833 0.500 CB 1.361 7 residues pruned to eliminate duplicates Z: 11 10.329 2.207 0.305 0.412 0.900 0.600 CB 1.383 12 residues pruned to eliminate duplicates Z: 8 11.806 1.863 0.473 0.597 1.000 0.714 N 1.483 8 residues pruned to eliminate duplicates Z: 13 11.975 2.109 0.482 0.309 0.833 0.583 CA 1.641 12 residues pruned to eliminate duplicates Z: 12 9.502 1.811 0.440 0.527 0.818 0.455 C 1.308 7 residues pruned to eliminate duplicates Z: 6 4.107 1.595 0.093 0.577 1.000 1.000 N 0.979 6 residues pruned to eliminate duplicates Z: 9 5.802 1.698 0.243 0.572 0.750 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 18 6.425 1.623 0.614 0.463 0.765 0.471 CB 0.808 16 residues pruned to eliminate duplicates Z: 10 6.055 1.926 0.414 0.803 0.778 0.556 CB 0.732 10 residues pruned to eliminate duplicates Z: 18 9.635 1.814 0.951 0.374 0.706 0.529 CB 1.071 18 residues pruned to eliminate duplicates Z: 28 24.021 2.098 0.622 0.644 0.926 0.667 CB 1.282 18 residues pruned to eliminate duplicates Z: 11 14.572 1.934 0.591 0.888 1.000 0.900 CB 1.079 11 residues pruned to eliminate duplicates Z: 12 15.646 2.197 0.496 0.734 0.818 0.818 CB 1.422 Z: 12 21.667 2.088 0.745 0.882 1.000 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 8 14.921 2.114 0.363 0.821 1.000 0.714 CB 1.482 8 residues pruned to eliminate duplicates Z: 15 12.584 1.997 0.415 0.625 0.857 0.500 CB 1.234 15 residues pruned to eliminate duplicates Z: 13 18.117 2.026 0.541 0.714 0.917 0.667 CB 1.505 13 residues pruned to eliminate duplicates Z: 13 15.609 2.126 0.484 0.684 0.833 0.667 CB 1.447 13 residues pruned to eliminate duplicates Z: 11 27.265 2.214 0.780 0.866 1.000 0.700 CB 1.602 12 residues pruned to eliminate duplicates Z: 10 23.713 2.194 1.007 0.894 0.889 0.667 CB 1.448 10 residues pruned to eliminate duplicates Z: 15 8.021 1.758 0.501 0.432 0.929 0.571 CB 0.939 15 residues pruned to eliminate duplicates Z: 9 9.578 1.999 0.578 0.525 0.875 0.375 CB 1.197 9 residues pruned to eliminate duplicates Z: 11 7.240 1.857 0.642 0.466 0.700 0.500 CB 1.110 11 residues pruned to eliminate duplicates Z: 10 9.372 1.599 0.816 0.631 1.000 0.444 CB 0.951 10 residues pruned to eliminate duplicates Z: 12 8.789 1.725 0.193 0.757 1.000 0.636 CB 1.024 12 residues pruned to eliminate duplicates Z: 9 9.247 1.909 0.199 0.715 1.000 0.750 CB 1.175 9 residues pruned to eliminate duplicates Z: 41 42.779 2.126 0.972 0.711 0.925 0.450 CB 1.441 41 residues pruned to eliminate duplicates Z: 10 6.948 1.719 0.411 0.747 0.778 0.778 CB 0.984 10 residues pruned to eliminate duplicates Z: 11 8.707 1.699 0.575 0.831 0.900 0.800 CB 0.859 20 residues pruned to eliminate duplicates Z: 6 3.265 1.338 0.573 0.275 0.800 0.600 C 1.119 6 residues pruned to eliminate duplicates Z: 6 7.360 1.764 0.468 0.418 1.000 0.600 CA 1.384 6 residues pruned to eliminate duplicates Z: 6 5.773 1.621 0.674 0.392 1.000 0.400 CA 1.067 6 residues pruned to eliminate duplicates Z: 21 7.467 1.533 0.449 0.416 0.800 0.550 CB 1.026 9 residues pruned to eliminate duplicates Z: 8 11.898 1.772 0.713 0.866 1.000 0.714 CB 1.085 8 residues pruned to eliminate duplicates Z: 9 8.810 1.687 0.287 0.795 1.000 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 10 7.879 1.634 0.416 0.430 1.000 0.333 N 1.221 10 residues pruned to eliminate duplicates Z: 10 6.980 1.614 0.194 0.682 0.889 0.556 CB 1.150 10 residues pruned to eliminate duplicates Z: 46 29.511 1.956 0.754 0.545 0.822 0.556 CB 1.492 103 residues pruned to eliminate duplicates Z: 15 24.930 2.084 0.533 0.857 0.929 0.714 CA 1.655 15 residues pruned to eliminate duplicates Z: 15 23.894 2.087 0.438 0.799 1.000 0.786 CB 1.638 15 residues pruned to eliminate duplicates Z: 14 29.776 2.180 0.761 0.877 0.923 0.692 CA 1.692 14 residues pruned to eliminate duplicates Z: 15 24.322 2.090 0.708 0.839 0.857 0.714 CB 1.587 15 residues pruned to eliminate duplicates Z: 14 26.891 2.108 0.609 0.880 1.000 0.692 CA 1.593 14 residues pruned to eliminate duplicates Z: 20 10.250 1.713 0.664 0.398 0.737 0.421 CB 1.247 20 residues pruned to eliminate duplicates Z: 15 26.220 2.131 0.784 0.856 0.857 0.500 CB 1.587 15 residues pruned to eliminate duplicates Z: 14 13.588 1.994 0.738 0.683 0.692 0.538 CB 1.328 14 residues pruned to eliminate duplicates Z: 15 19.972 2.020 0.457 0.731 0.929 0.500 CB 1.586 15 residues pruned to eliminate duplicates Z: 19 22.487 2.000 0.471 0.706 0.944 0.722 CA 1.581 19 residues pruned to eliminate duplicates Z: 32 25.726 1.932 0.449 0.614 0.935 0.613 CA 1.584 32 residues pruned to eliminate duplicates Z: 31 21.900 1.924 0.428 0.682 0.833 0.633 CB 1.478 31 residues pruned to eliminate duplicates Z: 14 18.759 2.035 0.865 0.699 0.846 0.538 CB 1.352 21 residues pruned to eliminate duplicates Z: 14 19.666 2.094 0.524 0.769 0.923 0.846 CB 1.459 14 residues pruned to eliminate duplicates Z: 9 3.666 1.590 0.275 0.407 0.750 0.375 CB 0.940 9 residues pruned to eliminate duplicates Z: 13 18.081 2.015 0.877 0.641 0.917 0.417 CB 1.319 13 residues pruned to eliminate duplicates Z: 17 14.671 1.952 0.763 0.578 0.875 0.562 CB 1.129 17 residues pruned to eliminate duplicates Z: 14 21.939 2.042 0.778 0.732 0.846 0.615 CA 1.607 14 residues pruned to eliminate duplicates Z: 16 17.982 1.993 0.729 0.708 0.867 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 31 34.136 2.032 0.648 0.766 0.967 0.700 CB 1.521 31 residues pruned to eliminate duplicates Z: 16 21.707 2.013 0.799 0.741 1.000 0.800 CB 1.247 16 residues pruned to eliminate duplicates Z: 29 30.680 2.052 0.637 0.690 0.929 0.643 CB 1.562 29 residues pruned to eliminate duplicates Z: 16 20.254 1.997 0.647 0.629 0.933 0.400 CB 1.509 16 residues pruned to eliminate duplicates Z: 25 21.815 1.972 0.785 0.551 0.875 0.417 CB 1.376 25 residues pruned to eliminate duplicates Z: 9 7.818 1.878 0.516 0.428 0.875 0.250 CB 1.195 Z: 8 10.592 1.912 0.255 0.828 0.857 0.714 N 1.464 17 residues pruned to eliminate duplicates Z: 8 9.126 1.915 0.752 0.592 0.714 0.286 CB 1.319 8 residues pruned to eliminate duplicates Z: 23 13.458 1.868 0.326 0.409 0.909 0.591 CB 1.401 21 residues pruned to eliminate duplicates Z: 10 16.196 1.912 0.532 0.872 1.000 0.778 CA 1.344 10 residues pruned to eliminate duplicates Z: 11 10.479 1.967 0.398 0.708 0.900 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 9 11.533 2.134 0.179 0.645 1.000 0.750 CB 1.415 11 residues pruned to eliminate duplicates Z: 6 3.254 1.650 0.234 0.324 0.800 0.600 CB 1.084 Z: 10 15.335 1.923 0.753 0.831 1.000 0.778 CB 1.139 10 residues pruned to eliminate duplicates Z: 10 15.910 2.103 0.604 0.837 0.889 0.778 CB 1.323 10 residues pruned to eliminate duplicates Z: 9 10.597 1.992 0.326 0.744 1.000 1.000 CB 1.140 9 residues pruned to eliminate duplicates Z: 10 8.416 1.876 0.359 0.673 0.889 0.778 CB 1.055 10 residues pruned to eliminate duplicates Z: 10 14.580 2.077 0.469 0.760 1.000 0.667 CB 1.265 10 residues pruned to eliminate duplicates Z: 9 19.135 2.049 0.933 0.875 1.000 0.500 CB 1.243 9 residues pruned to eliminate duplicates Z: 11 13.014 1.975 0.857 0.731 0.900 0.800 CB 1.013 11 residues pruned to eliminate duplicates Z: 13 11.236 1.768 0.331 0.651 0.917 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 13 14.082 1.827 0.374 0.748 1.000 0.667 CB 1.297 11 residues pruned to eliminate duplicates Z: 15 10.369 1.685 0.242 0.807 0.857 0.714 CB 1.182 15 residues pruned to eliminate duplicates Z: 17 17.988 1.745 0.609 0.716 0.938 0.500 CB 1.404 14 residues pruned to eliminate duplicates Z: 14 17.741 1.816 0.458 0.871 1.000 0.769 CB 1.356 14 residues pruned to eliminate duplicates Z: 20 13.850 1.614 0.397 0.657 0.947 0.421 CB 1.286 20 residues pruned to eliminate duplicates Z: 19 15.058 1.703 0.548 0.669 0.944 0.611 CB 1.220 19 residues pruned to eliminate duplicates Z: 13 15.390 1.744 0.385 0.854 1.000 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 20 12.410 1.615 0.619 0.636 0.737 0.632 CB 1.300 20 residues pruned to eliminate duplicates Z: 11 12.160 1.688 0.500 0.761 0.800 0.600 CB 1.505 11 residues pruned to eliminate duplicates Z: 7 4.522 1.635 0.225 0.542 0.667 0.500 O 1.327 7 residues pruned to eliminate duplicates Z: 6 8.271 1.744 0.572 0.827 0.800 0.600 CB 1.271 7 residues pruned to eliminate duplicates Z: 7 8.269 1.666 0.507 0.790 0.833 0.667 CB 1.251 7 residues pruned to eliminate duplicates Z: 8 4.272 1.645 0.069 0.338 0.857 0.429 N 1.278 8 residues pruned to eliminate duplicates Z: 9 5.212 1.576 -0.004 0.596 0.875 0.500 N 1.225 9 residues pruned to eliminate duplicates Z: 8 4.783 1.489 0.296 0.416 0.857 0.714 N 1.193 8 residues pruned to eliminate duplicates Z: 7 3.475 1.636 -0.011 0.447 0.833 0.667 N 1.111 7 residues pruned to eliminate duplicates Z: 7 2.852 1.467 0.108 0.627 0.833 0.833 CB 0.763 7 residues pruned to eliminate duplicates Z: 7 5.499 1.638 0.411 0.422 0.833 0.500 CA 1.264 14 residues pruned to eliminate duplicates Z: 14 13.163 1.914 0.443 0.600 0.846 0.615 CA 1.420 13 residues pruned to eliminate duplicates Z: 14 14.712 1.724 0.496 0.823 0.923 0.615 CA 1.295 14 residues pruned to eliminate duplicates Z: 12 12.759 2.053 0.309 0.647 0.909 0.545 CB 1.373 12 residues pruned to eliminate duplicates Z: 12 13.501 2.104 0.241 0.692 0.818 0.545 CB 1.599 12 residues pruned to eliminate duplicates Z: 15 13.418 1.979 0.280 0.595 0.857 0.571 CB 1.508 15 residues pruned to eliminate duplicates Z: 14 15.627 2.028 0.239 0.706 0.923 0.538 CB 1.549 15 residues pruned to eliminate duplicates Z: 11 16.427 1.909 0.569 0.836 1.000 0.800 CA 1.298 11 residues pruned to eliminate duplicates Z: 9 13.344 2.066 0.433 0.702 0.875 0.625 CA 1.515 9 residues pruned to eliminate duplicates Z: 12 6.968 1.672 0.574 0.433 0.727 0.545 CB 1.177 Z: 6 5.447 1.263 0.793 0.611 1.000 0.600 CA 0.968 6 residues pruned to eliminate duplicates Z: 14 6.457 1.897 0.676 0.185 0.692 0.462 CB 1.188 22 residues pruned to eliminate duplicates Z: 8 4.567 1.869 0.258 0.431 0.714 0.286 CB 1.104 8 residues pruned to eliminate duplicates Z: 20 9.140 1.780 0.570 0.288 0.789 0.421 CB 1.206 31 residues pruned to eliminate duplicates Z: 6 5.155 1.832 0.383 0.342 0.800 0.400 CA 1.352 6 residues pruned to eliminate duplicates Z: 17 9.079 1.847 0.576 0.255 0.812 0.375 CB 1.271 22 residues pruned to eliminate duplicates Z: 17 15.782 1.765 0.608 0.722 0.875 0.688 CA 1.300 Z: 11 21.882 2.141 0.375 0.831 1.000 0.800 CA 1.767 16 residues pruned to eliminate duplicates Z: 12 11.336 2.040 0.136 0.733 0.818 0.727 CA 1.462 12 residues pruned to eliminate duplicates Z: 15 16.472 2.181 0.186 0.700 0.929 0.714 CB 1.527 11 residues pruned to eliminate duplicates Z: 11 22.812 2.258 0.320 0.871 0.900 0.900 CA 1.962 11 residues pruned to eliminate duplicates Z: 12 22.604 2.099 0.350 0.799 1.000 0.818 CB 1.851 17 residues pruned to eliminate duplicates Z: 11 24.197 2.241 0.509 0.811 1.000 0.800 CB 1.725 11 residues pruned to eliminate duplicates Z: 16 12.070 1.601 0.257 0.696 0.933 0.800 CB 1.388 16 residues pruned to eliminate duplicates Z: 12 11.412 1.841 0.818 0.403 0.818 0.364 CB 1.392 12 residues pruned to eliminate duplicates Z: 10 12.444 1.871 0.867 0.457 0.889 0.556 N 1.396 10 residues pruned to eliminate duplicates Z: 9 14.105 1.920 0.643 0.543 1.000 0.625 CB 1.515 9 residues pruned to eliminate duplicates Z: 14 12.957 1.848 0.423 0.822 0.769 0.538 CB 1.343 14 residues pruned to eliminate duplicates Z: 17 14.976 1.780 0.487 0.806 0.938 0.438 CB 1.156 17 residues pruned to eliminate duplicates Z: 13 5.724 1.516 0.607 0.539 0.667 0.250 CB 0.979 13 residues pruned to eliminate duplicates Z: 13 9.667 1.681 0.461 0.625 0.917 0.583 CB 1.102 13 residues pruned to eliminate duplicates Z: 16 15.924 1.730 0.615 0.756 0.867 0.667 CB 1.352 16 residues pruned to eliminate duplicates Z: 13 16.740 1.771 0.574 0.852 0.917 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 18 18.521 1.690 0.580 0.870 1.000 0.824 CB 1.228 18 residues pruned to eliminate duplicates Z: 14 17.277 1.878 0.491 0.877 0.923 0.769 CB 1.346 14 residues pruned to eliminate duplicates Z: 10 11.207 1.711 0.682 0.680 0.889 0.556 CB 1.238 10 residues pruned to eliminate duplicates Z: 16 16.547 1.811 0.426 0.831 0.933 0.733 CB 1.332 16 residues pruned to eliminate duplicates Z: 13 17.347 1.894 0.518 0.861 0.917 0.667 CB 1.396 13 residues pruned to eliminate duplicates Z: 15 19.382 1.803 0.619 0.863 0.929 0.571 CB 1.402 15 residues pruned to eliminate duplicates Z: 28 22.065 2.156 0.703 0.606 0.852 0.593 CB 1.227 28 residues pruned to eliminate duplicates Z: 12 9.969 2.088 0.600 0.602 0.727 0.455 CB 1.122 12 residues pruned to eliminate duplicates Z: 15 13.660 1.938 0.805 0.557 0.857 0.500 CB 1.152 15 residues pruned to eliminate duplicates Z: 12 16.433 2.156 0.853 0.629 0.909 0.545 CB 1.208 12 residues pruned to eliminate duplicates Z: 9 16.018 2.167 0.715 0.692 0.750 0.625 CB 1.704 9 residues pruned to eliminate duplicates Z: 36 15.936 1.909 0.520 0.452 0.771 0.429 CB 1.264 40 residues pruned to eliminate duplicates Z: 8 18.284 2.057 0.670 0.697 1.000 0.429 CB 1.682 8 residues pruned to eliminate duplicates Z: 13 15.028 1.966 0.625 0.520 0.917 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 26 14.829 1.946 0.535 0.415 0.840 0.600 CB 1.291 26 residues pruned to eliminate duplicates Z: 17 8.838 1.693 0.468 0.494 0.812 0.312 CB 1.101 17 residues pruned to eliminate duplicates Z: 21 16.832 1.912 0.354 0.508 1.000 0.650 CB 1.441 21 residues pruned to eliminate duplicates Z: 10 14.535 1.938 0.495 0.686 0.889 0.667 N 1.585 10 residues pruned to eliminate duplicates Z: 11 4.865 1.744 0.317 0.410 0.600 0.200 CB 1.226 Z: 17 28.208 1.907 0.739 0.808 1.000 0.812 CA 1.626 17 residues pruned to eliminate duplicates Z: 16 16.706 1.743 0.616 0.573 0.933 0.667 O 1.529 16 residues pruned to eliminate duplicates Z: 13 20.959 1.917 0.753 0.686 0.917 0.417 CA 1.656 13 residues pruned to eliminate duplicates Z: 14 15.873 1.877 0.768 0.599 0.769 0.308 N 1.570 14 residues pruned to eliminate duplicates Z: 12 20.064 2.005 0.632 0.779 0.818 0.455 O 1.767 12 residues pruned to eliminate duplicates Z: 14 12.235 1.892 0.384 0.597 0.769 0.385 CB 1.535 14 residues pruned to eliminate duplicates Z: 23 20.274 1.795 0.861 0.576 0.864 0.409 CB 1.392 23 residues pruned to eliminate duplicates Z: 15 19.675 2.001 0.615 0.784 0.786 0.214 CB 1.613 15 residues pruned to eliminate duplicates Z: 19 24.526 1.918 0.746 0.732 0.889 0.333 CB 1.577 19 residues pruned to eliminate duplicates Z: 16 28.285 2.007 0.916 0.831 0.867 0.467 CB 1.646 16 residues pruned to eliminate duplicates Z: 19 30.914 1.938 0.919 0.887 0.944 0.278 CB 1.496 19 residues pruned to eliminate duplicates Z: 19 24.453 1.886 0.952 0.870 0.833 0.333 CB 1.372 19 residues pruned to eliminate duplicates Z: 15 21.172 1.953 0.722 0.781 0.857 0.571 CB 1.533 15 residues pruned to eliminate duplicates Z: 8 15.430 2.149 0.252 0.700 1.000 0.714 CB 1.807 8 residues pruned to eliminate duplicates Z: 8 11.701 2.147 0.268 0.602 0.857 0.571 CB 1.720 8 residues pruned to eliminate duplicates Z: 19 15.964 1.841 0.523 0.675 0.833 0.556 CA 1.370 19 residues pruned to eliminate duplicates Z: 9 13.231 1.963 0.538 0.710 0.875 0.625 CB 1.463 9 residues pruned to eliminate duplicates Z: 9 11.268 2.062 0.445 0.535 0.750 0.750 CB 1.723 9 residues pruned to eliminate duplicates Z: 15 6.830 1.866 0.250 0.457 0.786 0.571 CB 1.041 15 residues pruned to eliminate duplicates Z: 15 7.196 1.884 0.512 0.506 0.786 0.500 CB 0.854 14 residues pruned to eliminate duplicates Z: 6 2.469 1.653 0.659 0.100 0.800 0.600 CA 0.839 Z: 12 16.921 2.151 0.550 0.689 1.000 0.727 CA 1.287 12 residues pruned to eliminate duplicates Z: 27 25.104 2.195 0.610 0.530 0.885 0.615 CB 1.530 27 residues pruned to eliminate duplicates Z: 27 29.904 2.360 0.524 0.584 0.962 0.615 CB 1.564 32 residues pruned to eliminate duplicates Z: 7 15.437 2.431 0.593 0.829 0.667 0.500 CB 1.836 7 residues pruned to eliminate duplicates Z: 29 27.579 2.304 0.506 0.531 0.929 0.500 CB 1.569 29 residues pruned to eliminate duplicates Z: 30 26.867 2.274 0.506 0.520 0.897 0.586 CB 1.593 30 residues pruned to eliminate duplicates Z: 10 18.865 2.059 0.834 0.785 0.889 0.556 CA 1.457 10 residues pruned to eliminate duplicates Z: 31 29.835 2.242 0.606 0.538 0.967 0.533 CB 1.507 30 residues pruned to eliminate duplicates Z: 10 25.611 2.387 0.944 0.666 1.000 0.444 CA 1.578 10 residues pruned to eliminate duplicates Z: 34 28.860 2.167 0.674 0.498 0.909 0.424 CB 1.525 34 residues pruned to eliminate duplicates Z: 31 29.968 2.285 0.519 0.553 0.933 0.433 CB 1.604 31 residues pruned to eliminate duplicates Z: 6 4.372 1.565 0.444 0.326 1.000 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 28 25.419 2.221 0.552 0.468 0.963 0.593 CB 1.523 28 residues pruned to eliminate duplicates Z: 30 16.439 2.077 0.302 0.382 0.897 0.414 CB 1.429 30 residues pruned to eliminate duplicates Z: 19 14.064 2.135 0.279 0.497 0.889 0.611 CB 1.369 19 residues pruned to eliminate duplicates Z: 26 17.575 2.219 0.458 0.428 0.760 0.520 CB 1.540 26 residues pruned to eliminate duplicates Z: 17 15.609 2.279 0.311 0.464 0.875 0.688 CB 1.548 17 residues pruned to eliminate duplicates Z: 31 25.118 2.261 0.519 0.483 0.933 0.433 CB 1.456 31 residues pruned to eliminate duplicates Z: 37 26.382 2.194 0.564 0.466 0.889 0.472 CB 1.492 37 residues pruned to eliminate duplicates Z: 30 19.901 2.126 0.281 0.413 0.862 0.483 CA 1.723 27 residues pruned to eliminate duplicates Z: 8 10.272 2.145 -0.123 0.831 1.000 1.000 CB 1.550 8 residues pruned to eliminate duplicates Z: 20 13.696 2.098 0.412 0.395 0.895 0.579 CB 1.325 20 residues pruned to eliminate duplicates Z: 31 24.713 2.204 0.467 0.461 0.900 0.467 CB 1.614 31 residues pruned to eliminate duplicates Z: 27 35.580 2.310 0.745 0.611 0.885 0.731 CA 1.762 27 residues pruned to eliminate duplicates Z: 17 33.303 2.510 0.896 0.574 0.875 0.625 CA 1.862 17 residues pruned to eliminate duplicates Z: 22 28.607 2.344 0.631 0.490 0.905 0.619 CB 1.824 22 residues pruned to eliminate duplicates Z: 23 30.235 2.297 0.888 0.480 0.864 0.455 CB 1.757 23 residues pruned to eliminate duplicates Z: 19 35.739 2.466 0.891 0.524 0.889 0.667 CB 1.984 19 residues pruned to eliminate duplicates Z: 20 34.104 2.426 0.937 0.543 0.842 0.579 CB 1.895 20 residues pruned to eliminate duplicates Z: 25 35.568 2.324 1.030 0.480 0.833 0.417 CB 1.884 21 residues pruned to eliminate duplicates Z: 14 42.344 2.360 1.099 0.878 0.923 0.615 CB 1.863 14 residues pruned to eliminate duplicates Z: 21 38.891 2.341 1.099 0.604 0.950 0.500 CB 1.688 21 residues pruned to eliminate duplicates Z: 22 32.965 2.277 1.125 0.466 0.905 0.381 CB 1.701 22 residues pruned to eliminate duplicates Z: 21 46.614 2.380 1.211 0.618 0.950 0.400 CB 1.865 21 residues pruned to eliminate duplicates Z: 22 32.737 2.401 0.827 0.501 0.857 0.571 CB 1.899 22 residues pruned to eliminate duplicates Z: 32 40.188 2.244 0.875 0.606 0.935 0.516 CA 1.658 32 residues pruned to eliminate duplicates Z: 22 28.564 2.334 0.996 0.479 0.810 0.333 CB 1.687 22 residues pruned to eliminate duplicates Z: 24 25.166 2.111 0.853 0.510 0.870 0.348 CB 1.528 24 residues pruned to eliminate duplicates Z: 25 26.958 2.301 0.834 0.448 0.833 0.667 CB 1.651 25 residues pruned to eliminate duplicates Z: 19 28.376 2.349 1.030 0.506 0.778 0.278 CB 1.793 19 residues pruned to eliminate duplicates Z: 30 24.598 2.137 0.827 0.433 0.793 0.310 CA 1.581 30 residues pruned to eliminate duplicates Z: 15 8.363 1.751 0.235 0.545 0.786 0.571 CB 1.258 15 residues pruned to eliminate duplicates Z: 24 16.248 1.839 0.615 0.573 0.826 0.435 CB 1.287 24 residues pruned to eliminate duplicates Z: 22 16.509 1.908 0.485 0.552 0.905 0.571 CB 1.335 25 residues pruned to eliminate duplicates Z: 12 11.169 1.658 0.418 0.865 1.000 0.818 CB 1.049 11 residues pruned to eliminate duplicates Z: 12 11.219 1.658 0.444 0.857 1.000 0.818 CB 1.040 12 residues pruned to eliminate duplicates Z: 8 11.830 1.752 0.670 0.734 1.000 0.857 CB 1.238 9 residues pruned to eliminate duplicates Z: 10 6.332 1.644 0.418 0.711 0.889 0.444 CB 0.842 18 residues pruned to eliminate duplicates Z: 15 8.802 1.600 0.290 0.594 1.000 0.571 CB 1.042 15 residues pruned to eliminate duplicates Z: 11 6.156 1.683 0.360 0.703 0.800 0.600 CB 0.884 11 residues pruned to eliminate duplicates Z: 13 9.147 1.659 0.465 0.630 0.917 0.583 CB 1.049 12 residues pruned to eliminate duplicates Z: 11 8.078 1.775 0.347 0.862 0.800 0.700 CB 0.981 11 residues pruned to eliminate duplicates Z: 12 8.450 1.723 0.379 0.681 1.000 0.545 CB 0.908 12 residues pruned to eliminate duplicates Z: 8 8.383 1.893 0.382 0.491 1.000 0.714 N 1.223 8 residues pruned to eliminate duplicates Z: 15 8.476 1.894 0.256 0.532 0.786 0.643 CB 1.174 15 residues pruned to eliminate duplicates Z: 16 10.386 1.908 0.422 0.551 0.867 0.533 CB 1.085 16 residues pruned to eliminate duplicates Z: 17 13.593 1.864 0.638 0.533 0.938 0.688 CB 1.149 17 residues pruned to eliminate duplicates Z: 14 12.924 1.871 0.646 0.668 0.846 0.615 CB 1.178 14 residues pruned to eliminate duplicates Z: 14 18.866 1.886 0.809 0.600 1.000 0.538 CB 1.394 14 residues pruned to eliminate duplicates Z: 14 15.920 1.908 0.479 0.593 1.000 0.462 CB 1.431 14 residues pruned to eliminate duplicates Z: 18 11.442 1.809 0.453 0.503 0.941 0.529 CB 1.119 18 residues pruned to eliminate duplicates Z: 13 18.765 1.967 0.624 0.682 0.917 0.750 CA 1.564 13 residues pruned to eliminate duplicates Z: 15 13.056 1.896 0.517 0.600 0.857 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 6 2.887 1.308 0.394 0.261 1.000 0.400 CB 0.930 Z: 10 14.934 2.000 0.480 0.874 0.889 0.889 CA 1.377 10 residues pruned to eliminate duplicates Z: 12 13.470 1.773 0.450 0.706 0.909 0.545 CB 1.441 12 residues pruned to eliminate duplicates Z: 16 16.253 1.820 0.458 0.740 1.000 0.533 CB 1.274 13 residues pruned to eliminate duplicates Z: 12 17.581 1.852 0.431 0.901 1.000 0.545 CB 1.427 15 residues pruned to eliminate duplicates Z: 11 16.320 1.968 0.517 0.851 0.900 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 14 15.798 1.825 0.511 0.792 1.000 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 15 14.579 1.833 0.372 0.726 1.000 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 12 15.691 2.004 0.423 0.826 1.000 0.636 CB 1.252 12 residues pruned to eliminate duplicates Z: 12 17.146 2.005 0.560 0.830 1.000 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 9 4.645 1.457 0.572 0.507 0.875 0.500 CB 0.814 9 residues pruned to eliminate duplicates Z: 8 5.825 1.367 0.489 0.476 1.000 0.714 CA 1.108 5 residues pruned to eliminate duplicates Z: 15 21.997 1.754 0.670 0.897 0.929 0.643 CA 1.547 15 residues pruned to eliminate duplicates Z: 15 18.386 1.736 0.552 0.839 0.929 0.786 O 1.467 15 residues pruned to eliminate duplicates Z: 18 11.613 1.640 0.388 0.533 0.941 0.412 CB 1.272 18 residues pruned to eliminate duplicates Z: 22 13.759 1.629 0.525 0.590 0.905 0.571 CA 1.226 22 residues pruned to eliminate duplicates Z: 20 16.682 1.699 0.487 0.682 0.947 0.474 CA 1.353 20 residues pruned to eliminate duplicates Z: 26 11.078 1.599 0.321 0.474 0.800 0.440 CB 1.346 26 residues pruned to eliminate duplicates Z: 20 15.598 1.680 0.378 0.672 0.947 0.579 CB 1.392 20 residues pruned to eliminate duplicates Z: 16 16.726 1.857 0.397 0.699 0.933 0.467 CA 1.487 16 residues pruned to eliminate duplicates Z: 22 16.590 1.691 0.472 0.600 0.905 0.619 CA 1.461 19 residues pruned to eliminate duplicates Z: 13 18.121 1.884 0.446 0.856 0.917 0.833 CA 1.544 16 residues pruned to eliminate duplicates Z: 6 5.958 1.533 0.358 0.772 0.800 0.600 CB 1.258 8 residues pruned to eliminate duplicates Z: 6 7.572 1.681 0.308 0.788 0.800 0.800 O 1.495 12 residues pruned to eliminate duplicates Z: 6 7.555 1.551 0.614 0.818 0.800 0.400 C 1.281 9 residues pruned to eliminate duplicates Z: 12 14.834 1.930 0.353 0.821 0.909 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 14.386 1.929 0.197 0.825 1.000 0.636 CB 1.418 12 residues pruned to eliminate duplicates Z: 9 8.898 1.933 0.107 0.668 0.875 0.625 CB 1.438 9 residues pruned to eliminate duplicates Z: 12 9.430 1.896 0.240 0.673 0.818 0.182 CB 1.260 14 residues pruned to eliminate duplicates Z: 11 13.024 1.864 0.203 0.788 1.000 0.800 CB 1.427 11 residues pruned to eliminate duplicates Z: 11 12.083 2.020 0.062 0.716 1.000 0.700 CB 1.465 11 residues pruned to eliminate duplicates Z: 12 11.206 1.963 0.055 0.791 1.000 0.364 CB 1.263 12 residues pruned to eliminate duplicates Z: 11 15.260 2.029 0.245 0.792 1.000 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 12 11.381 1.930 0.290 0.825 0.818 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 12 18.013 2.046 0.249 0.906 1.000 1.000 CB 1.511 12 residues pruned to eliminate duplicates Z: 15 17.921 1.975 0.345 0.889 0.929 0.929 CB 1.398 15 residues pruned to eliminate duplicates Z: 18 17.557 1.881 0.395 0.727 0.941 0.706 CB 1.405 18 residues pruned to eliminate duplicates Z: 14 15.271 2.064 0.049 0.861 0.923 0.846 CB 1.557 14 residues pruned to eliminate duplicates Z: 17 15.887 1.966 0.163 0.743 0.938 0.812 CA 1.491 17 residues pruned to eliminate duplicates Z: 19 15.703 1.833 0.254 0.771 0.944 0.722 CB 1.341 19 residues pruned to eliminate duplicates Z: 29 17.534 1.945 0.389 0.632 0.821 0.714 CB 1.319 29 residues pruned to eliminate duplicates Z: 18 18.590 1.902 0.314 0.827 0.941 0.824 CA 1.445 18 residues pruned to eliminate duplicates Z: 16 19.283 2.003 0.572 0.871 1.000 0.867 CB 1.153 16 residues pruned to eliminate duplicates Z: 29 18.703 1.950 0.393 0.621 0.857 0.643 CB 1.354 45 residues pruned to eliminate duplicates Z: 20 18.692 1.887 0.429 0.789 0.947 0.684 CB 1.302 20 residues pruned to eliminate duplicates Z: 14 19.986 2.088 0.369 0.872 0.923 0.923 CB 1.531 14 residues pruned to eliminate duplicates Z: 18 22.155 1.907 0.459 0.847 1.000 0.471 CB 1.433 18 residues pruned to eliminate duplicates 6 1.227 1.529 0.402 0.290 0.600 0.200 CB 0.540 ? Z: 12 17.695 1.794 0.795 0.880 1.000 0.818 CB 1.200 12 residues pruned to eliminate duplicates Z: 12 15.802 1.797 0.786 0.844 0.909 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 8 10.062 1.852 0.522 0.688 1.000 0.857 N 1.136 8 residues pruned to eliminate duplicates Z: 14 11.907 1.666 0.585 0.801 0.846 0.615 N 1.136 13 residues pruned to eliminate duplicates Z: 11 11.909 1.726 0.572 0.806 0.900 0.800 N 1.181 11 residues pruned to eliminate duplicates Z: 13 15.241 1.754 0.686 0.755 0.917 0.583 CB 1.293 13 residues pruned to eliminate duplicates Z: 11 18.476 1.833 0.934 0.790 1.000 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 12 20.312 1.792 1.027 0.861 1.000 0.818 CB 1.239 12 residues pruned to eliminate duplicates Z: 10 7.643 1.709 0.618 0.364 0.778 0.333 CB 1.370 10 residues pruned to eliminate duplicates Z: 20 25.857 2.074 0.419 0.731 1.000 0.895 CA 1.637 20 residues pruned to eliminate duplicates Z: 18 28.190 2.127 0.590 0.797 0.941 0.824 CA 1.656 18 residues pruned to eliminate duplicates Z: 18 24.715 2.137 0.437 0.769 0.882 0.824 CA 1.742 18 residues pruned to eliminate duplicates Z: 20 27.263 2.113 0.441 0.682 1.000 0.737 CA 1.739 20 residues pruned to eliminate duplicates Z: 32 27.298 1.941 0.494 0.618 0.935 0.710 CB 1.616 29 residues pruned to eliminate duplicates Z: 16 38.582 2.156 0.857 0.876 1.000 0.667 CA 1.809 16 residues pruned to eliminate duplicates Z: 20 33.335 2.124 0.768 0.690 0.947 0.684 CA 1.806 20 residues pruned to eliminate duplicates Z: 24 26.144 2.039 0.669 0.638 0.913 0.826 CB 1.541 24 residues pruned to eliminate duplicates Z: 27 27.214 1.958 0.630 0.644 0.923 0.538 CB 1.584 27 residues pruned to eliminate duplicates Z: 21 27.987 2.024 0.685 0.679 0.900 0.600 CA 1.728 21 residues pruned to eliminate duplicates Z: 18 30.500 2.156 0.516 0.750 0.941 0.588 CA 1.923 18 residues pruned to eliminate duplicates Z: 18 27.631 2.159 0.576 0.750 0.882 0.647 CA 1.785 18 residues pruned to eliminate duplicates Z: 18 28.497 2.137 0.546 0.767 0.941 0.706 CA 1.755 18 residues pruned to eliminate duplicates Z: 23 26.249 2.024 0.607 0.675 0.955 0.682 CB 1.533 23 residues pruned to eliminate duplicates Z: 21 25.648 2.054 0.571 0.662 0.900 0.750 CA 1.700 21 residues pruned to eliminate duplicates Z: 21 29.586 2.066 0.590 0.651 1.000 0.700 CA 1.751 21 residues pruned to eliminate duplicates Z: 22 30.043 2.028 0.634 0.667 0.952 0.667 CA 1.780 22 residues pruned to eliminate duplicates Z: 11 3.237 1.334 0.341 0.328 0.600 0.300 CA 1.151 Z: 6 3.847 1.770 0.399 0.343 0.800 0.600 CB 1.031 6 residues pruned to eliminate duplicates Z: 13 7.383 1.821 0.249 0.412 0.917 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 13 10.468 1.971 0.303 0.402 0.833 0.583 N 1.565 13 residues pruned to eliminate duplicates Z: 13 7.004 1.899 0.248 0.374 0.750 0.333 N 1.302 13 residues pruned to eliminate duplicates Z: 13 8.756 1.904 0.316 0.380 0.833 0.583 N 1.376 13 residues pruned to eliminate duplicates Z: 25 9.186 1.822 0.263 0.349 0.667 0.333 CB 1.440 18 residues pruned to eliminate duplicates Z: 6 3.076 1.554 0.480 0.831 1.000 1.000 CB 0.449 6 residues pruned to eliminate duplicates Z: 8 3.411 1.486 0.149 0.547 0.857 0.714 CB 0.842 8 residues pruned to eliminate duplicates Z: 8 4.010 1.395 0.420 0.613 0.857 0.429 CB 0.802 8 residues pruned to eliminate duplicates Z: 14 23.846 2.049 0.545 0.844 0.923 0.846 CA 1.684 Z: 13 16.687 2.009 0.319 0.868 0.833 0.750 CA 1.594 13 residues pruned to eliminate duplicates Z: 15 16.893 1.920 0.424 0.626 0.929 0.714 CA 1.580 15 residues pruned to eliminate duplicates Z: 12 20.317 2.199 0.392 0.802 0.909 0.818 CA 1.692 12 residues pruned to eliminate duplicates Z: 13 28.222 2.110 0.639 0.858 1.000 0.833 CA 1.734 14 residues pruned to eliminate duplicates Z: 13 29.212 2.150 0.716 0.872 0.917 0.750 CA 1.818 13 residues pruned to eliminate duplicates Z: 13 24.628 2.007 0.528 0.888 1.000 0.833 CB 1.670 13 residues pruned to eliminate duplicates Z: 14 18.708 2.109 0.562 0.683 0.923 0.462 CB 1.442 12 residues pruned to eliminate duplicates Z: 12 26.141 2.144 0.655 0.875 0.909 0.545 CA 1.777 14 residues pruned to eliminate duplicates Z: 13 21.694 2.125 0.606 0.792 0.833 0.500 CA 1.704 13 residues pruned to eliminate duplicates Z: 15 19.808 2.097 0.617 0.666 0.857 0.500 CB 1.563 15 residues pruned to eliminate duplicates Z: 19 21.332 1.929 0.565 0.643 0.944 0.278 CB 1.543 17 residues pruned to eliminate duplicates Z: 13 28.359 2.161 0.681 0.824 0.917 0.750 CB 1.857 13 residues pruned to eliminate duplicates Z: 7 3.959 1.435 0.348 0.493 0.833 0.500 CA 1.010 7 residues pruned to eliminate duplicates Z: 9 3.208 1.441 0.011 0.382 0.875 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 8 5.132 1.274 0.538 0.696 1.000 0.286 N 0.828 8 residues pruned to eliminate duplicates Z: 6 3.016 1.292 0.208 0.492 1.000 0.600 CB 0.871 6 residues pruned to eliminate duplicates Z: 14 7.166 1.604 0.673 0.575 0.846 0.462 CB 0.815 18 residues pruned to eliminate duplicates Z: 7 11.315 1.542 0.830 0.844 1.000 0.667 N 1.218 8 residues pruned to eliminate duplicates Z: 6 4.579 1.435 0.577 0.367 1.000 0.600 CB 1.045 6 residues pruned to eliminate duplicates Z: 27 23.960 1.844 0.844 0.652 0.923 0.577 CB 1.299 27 residues pruned to eliminate duplicates Z: 10 8.313 1.809 0.123 0.590 1.000 0.778 CB 1.251 10 residues pruned to eliminate duplicates Z: 26 26.612 1.907 0.792 0.695 0.960 0.720 CB 1.358 27 residues pruned to eliminate duplicates Z: 14 23.196 2.240 0.461 0.781 0.923 0.769 CA 1.663 14 residues pruned to eliminate duplicates Z: 36 34.720 2.143 0.740 0.660 0.886 0.571 CB 1.532 36 residues pruned to eliminate duplicates Z: 51 25.501 2.049 0.697 0.516 0.820 0.560 CB 1.246 66 residues pruned to eliminate duplicates Z: 30 44.551 2.147 0.753 0.873 0.966 0.862 CB 1.658 30 residues pruned to eliminate duplicates Z: 28 30.765 2.156 0.926 0.681 0.926 0.630 CB 1.304 28 residues pruned to eliminate duplicates Z: 32 36.685 2.226 0.929 0.745 0.935 0.581 CB 1.317 32 residues pruned to eliminate duplicates Z: 47 28.273 2.025 0.758 0.496 0.870 0.522 CB 1.353 54 residues pruned to eliminate duplicates Z: 30 43.992 2.165 0.763 0.837 0.966 0.655 CB 1.658 30 residues pruned to eliminate duplicates Z: 38 40.779 2.171 0.744 0.787 0.973 0.703 CB 1.415 38 residues pruned to eliminate duplicates Z: 27 29.236 2.193 0.826 0.706 0.923 0.538 CB 1.286 27 residues pruned to eliminate duplicates Z: 33 31.235 2.123 0.885 0.687 0.844 0.688 CB 1.377 33 residues pruned to eliminate duplicates Z: 23 25.434 2.195 0.976 0.648 0.864 0.545 CB 1.262 23 residues pruned to eliminate duplicates Z: 11 11.708 1.943 0.118 0.653 1.000 0.700 CB 1.479 11 residues pruned to eliminate duplicates Z: 12 14.839 1.969 0.666 0.537 0.909 0.455 CB 1.446 15 residues pruned to eliminate duplicates Z: 14 14.693 1.818 0.348 0.900 0.923 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 13 13.580 1.822 0.255 0.717 1.000 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 10 10.853 1.937 0.389 0.558 0.889 0.667 CB 1.430 10 residues pruned to eliminate duplicates Z: 10 12.396 1.985 0.603 0.464 0.889 0.444 CB 1.516 10 residues pruned to eliminate duplicates Z: 12 11.527 1.888 0.594 0.608 0.727 0.364 CB 1.433 12 residues pruned to eliminate duplicates Z: 11 10.572 1.936 0.431 0.697 0.800 0.600 CB 1.260 11 residues pruned to eliminate duplicates Z: 10 5.807 1.609 0.014 0.607 0.889 0.556 CA 1.206 10 residues pruned to eliminate duplicates Z: 17 19.239 1.880 0.440 0.788 0.938 0.562 CB 1.472 16 residues pruned to eliminate duplicates Z: 15 20.411 1.925 0.472 0.881 0.929 0.786 CB 1.501 15 residues pruned to eliminate duplicates Z: 16 17.881 1.917 0.468 0.845 0.867 0.800 CB 1.408 16 residues pruned to eliminate duplicates Z: 18 16.063 1.814 0.251 0.742 0.941 0.588 CB 1.468 18 residues pruned to eliminate duplicates Z: 16 15.107 1.911 0.161 0.827 0.933 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 17 16.802 1.884 0.321 0.780 0.938 0.688 CB 1.407 17 residues pruned to eliminate duplicates Z: 16 14.899 1.915 0.216 0.841 0.867 0.667 CB 1.421 16 residues pruned to eliminate duplicates Z: 15 24.734 1.947 0.719 0.843 0.929 0.643 CB 1.583 17 residues pruned to eliminate duplicates Z: 15 24.423 2.002 0.566 0.853 1.000 0.714 CB 1.539 15 residues pruned to eliminate duplicates Z: 15 25.036 1.973 0.578 0.906 1.000 0.571 CB 1.528 15 residues pruned to eliminate duplicates Z: 23 25.069 2.082 0.221 0.902 0.955 0.818 CB 1.570 23 residues pruned to eliminate duplicates Z: 13 21.239 1.960 0.608 0.867 0.917 0.667 CA 1.553 13 residues pruned to eliminate duplicates Z: 59 29.423 1.949 0.508 0.637 0.879 0.621 CB 1.316 56 residues pruned to eliminate duplicates Z: 22 27.606 2.123 0.395 0.880 0.952 0.810 CB 1.549 22 residues pruned to eliminate duplicates Z: 27 26.239 1.963 0.496 0.776 0.962 0.654 CB 1.427 27 residues pruned to eliminate duplicates Z: 19 23.390 2.019 0.558 0.740 0.944 0.667 CB 1.497 19 residues pruned to eliminate duplicates Z: 26 25.206 2.074 0.308 0.757 0.960 0.640 CB 1.540 26 residues pruned to eliminate duplicates Z: 16 24.290 2.045 0.637 0.786 0.933 0.733 CB 1.561 16 residues pruned to eliminate duplicates Z: 29 28.250 1.975 0.549 0.703 0.964 0.607 CB 1.505 29 residues pruned to eliminate duplicates Z: 27 26.801 2.040 0.412 0.770 0.962 0.654 CB 1.495 27 residues pruned to eliminate duplicates Z: 25 27.736 2.061 0.523 0.791 0.958 0.625 CB 1.458 25 residues pruned to eliminate duplicates Z: 35 33.374 2.052 0.575 0.718 0.971 0.676 CB 1.498 37 residues pruned to eliminate duplicates Z: 22 29.116 2.125 0.391 0.915 0.952 0.905 CB 1.595 22 residues pruned to eliminate duplicates Z: 18 29.981 2.144 0.634 0.836 0.941 0.765 CB 1.650 18 residues pruned to eliminate duplicates Z: 25 32.487 2.110 0.611 0.819 0.958 0.667 CB 1.542 25 residues pruned to eliminate duplicates Z: 24 32.159 2.124 0.677 0.850 0.957 0.652 CB 1.457 24 residues pruned to eliminate duplicates Z: 28 30.024 2.024 0.776 0.733 0.926 0.407 CB 1.408 28 residues pruned to eliminate duplicates Z: 27 27.206 2.008 0.704 0.766 0.885 0.346 CB 1.393 27 residues pruned to eliminate duplicates Z: 8 5.463 1.775 0.264 0.324 0.857 0.429 N 1.302 8 residues pruned to eliminate duplicates Z: 11 13.544 1.865 0.357 0.758 1.000 0.800 CB 1.345 11 residues pruned to eliminate duplicates Z: 9 6.221 1.974 0.263 0.283 0.875 0.375 CB 1.288 9 residues pruned to eliminate duplicates Z: 7 3.389 1.699 0.126 0.189 0.833 0.333 CB 1.260 7 residues pruned to eliminate duplicates Z: 8 4.005 1.896 0.585 0.211 0.571 0.286 CB 1.241 8 residues pruned to eliminate duplicates Z: 16 10.596 2.035 0.302 0.342 0.733 0.400 CB 1.672 16 residues pruned to eliminate duplicates Z: 23 13.733 1.934 0.278 0.350 0.909 0.409 CB 1.533 23 residues pruned to eliminate duplicates Z: 20 18.858 2.082 0.564 0.484 0.842 0.579 CB 1.604 20 residues pruned to eliminate duplicates Z: 26 17.729 2.066 0.429 0.485 0.880 0.560 CB 1.386 26 residues pruned to eliminate duplicates Z: 17 20.522 2.160 0.777 0.537 0.875 0.562 CB 1.472 17 residues pruned to eliminate duplicates Z: 11 14.147 2.129 0.437 0.467 0.900 0.600 CA 1.680 11 residues pruned to eliminate duplicates Z: 16 21.714 2.244 0.327 0.659 1.000 0.667 CB 1.624 16 residues pruned to eliminate duplicates Z: 13 12.424 2.030 0.631 0.309 0.833 0.500 CB 1.606 13 residues pruned to eliminate duplicates Z: 19 20.658 2.092 0.455 0.473 0.944 0.667 CB 1.741 19 residues pruned to eliminate duplicates Z: 28 21.652 2.095 0.400 0.573 0.815 0.444 CB 1.626 28 residues pruned to eliminate duplicates Z: 16 22.410 2.172 0.589 0.568 0.933 0.667 CB 1.683 16 residues pruned to eliminate duplicates Z: 17 21.879 2.195 0.570 0.538 0.938 0.562 CB 1.630 17 residues pruned to eliminate duplicates Z: 16 21.335 2.271 0.543 0.535 0.867 0.733 CB 1.753 16 residues pruned to eliminate duplicates Z: 28 21.967 2.130 0.503 0.567 0.815 0.630 CB 1.518 28 residues pruned to eliminate duplicates Z: 27 24.147 2.128 0.486 0.574 0.885 0.615 CB 1.576 27 residues pruned to eliminate duplicates Z: 16 22.338 2.245 0.417 0.562 1.000 0.600 CB 1.707 16 residues pruned to eliminate duplicates Z: 21 21.215 2.077 0.735 0.527 0.850 0.600 CB 1.508 21 residues pruned to eliminate duplicates Z: 9 11.495 2.059 0.106 0.720 0.875 0.750 CB 1.672 9 residues pruned to eliminate duplicates Z: 9 16.973 2.000 0.511 0.752 1.000 0.625 CB 1.586 8 residues pruned to eliminate duplicates Z: 9 11.300 1.856 0.167 0.812 0.875 0.875 O 1.607 9 residues pruned to eliminate duplicates Z: 9 12.030 2.135 0.634 0.544 0.750 0.375 CB 1.557 9 residues pruned to eliminate duplicates Z: 11 9.512 2.033 0.592 0.433 0.800 0.300 CB 1.246 11 residues pruned to eliminate duplicates Z: 9 9.822 2.126 0.292 0.565 0.750 0.500 CB 1.583 9 residues pruned to eliminate duplicates Z: 32 23.225 1.943 0.518 0.533 0.935 0.645 CB 1.463 32 residues pruned to eliminate duplicates Z: 30 23.970 1.963 0.459 0.623 0.966 0.759 CB 1.434 30 residues pruned to eliminate duplicates Z: 28 27.439 2.055 0.665 0.618 0.926 0.667 CB 1.491 28 residues pruned to eliminate duplicates Z: 28 22.676 2.026 0.452 0.540 0.963 0.667 CB 1.481 28 residues pruned to eliminate duplicates Z: 28 19.653 2.020 0.383 0.548 0.889 0.630 CB 1.454 28 residues pruned to eliminate duplicates Z: 25 18.574 2.082 0.316 0.589 0.875 0.667 CB 1.452 25 residues pruned to eliminate duplicates Z: 26 23.004 2.067 0.595 0.549 0.920 0.760 CB 1.446 26 residues pruned to eliminate duplicates Z: 28 22.937 2.021 0.499 0.622 0.926 0.778 CB 1.403 28 residues pruned to eliminate duplicates Z: 29 18.702 1.973 0.369 0.580 0.893 0.536 CB 1.356 29 residues pruned to eliminate duplicates Z: 27 18.083 1.977 0.498 0.522 0.846 0.462 CB 1.385 27 residues pruned to eliminate duplicates Z: 25 23.288 2.122 0.463 0.625 0.917 0.750 CB 1.484 25 residues pruned to eliminate duplicates Z: 28 25.313 2.012 0.680 0.606 0.963 0.630 CB 1.354 28 residues pruned to eliminate duplicates Z: 29 24.977 2.009 0.591 0.612 0.929 0.679 CB 1.431 31 residues pruned to eliminate duplicates Z: 14 21.288 1.892 0.735 0.891 0.923 0.846 CA 1.401 14 residues pruned to eliminate duplicates Z: 27 26.859 2.063 0.560 0.665 0.962 0.808 CB 1.462 27 residues pruned to eliminate duplicates Z: 13 24.002 2.032 0.649 0.876 1.000 0.750 CA 1.502 13 residues pruned to eliminate duplicates Z: 18 19.104 1.988 0.404 0.717 0.941 0.706 CB 1.450 18 residues pruned to eliminate duplicates Z: 18 15.201 2.035 0.754 0.547 0.882 0.529 CB 1.119 18 residues pruned to eliminate duplicates Z: 27 24.847 2.057 0.601 0.643 0.923 0.692 CB 1.402 27 residues pruned to eliminate duplicates Z: 26 26.742 2.111 0.639 0.648 0.920 0.720 CB 1.463 26 residues pruned to eliminate duplicates Z: 26 25.996 2.074 0.651 0.657 0.920 0.680 CB 1.427 27 residues pruned to eliminate duplicates Z: 6 3.774 1.502 0.362 0.475 1.000 1.000 CA 0.847 Z: 6 4.507 1.733 0.046 0.439 1.000 0.600 N 1.184 Z: 35 19.743 1.756 0.683 0.499 0.912 0.559 CB 1.258 35 residues pruned to eliminate duplicates Z: 23 11.839 1.676 0.471 0.595 0.909 0.500 CB 1.028 23 residues pruned to eliminate duplicates Z: 27 24.988 1.838 0.746 0.632 1.000 0.615 CB 1.349 27 residues pruned to eliminate duplicates Z: 14 11.932 1.800 0.807 0.513 1.000 0.692 CB 1.005 14 residues pruned to eliminate duplicates Z: 29 14.997 1.735 0.713 0.498 0.750 0.464 CB 1.274 29 residues pruned to eliminate duplicates Z: 19 22.493 1.765 0.970 0.783 0.944 0.778 CB 1.258 19 residues pruned to eliminate duplicates 857 residues left after pruning, divided into chains as follows: A: 14 B: 9 C: 9 D: 6 E: 8 F: 6 G: 16 H: 8 I: 6 J: 60 K: 24 L: 10 M: 19 N: 12 O: 42 P: 12 Q: 14 R: 46 S: 11 T: 6 U: 19 V: 19 W: 8 X: 14 Y: 11 Z: 30 Z: 28 Z: 17 Z: 9 Z: 12 Z: 9 Z: 15 Z: 12 Z: 14 Z: 22 Z: 15 Z: 6 Z: 14 Z: 39 Z: 21 Z: 15 Z: 85 Z: 49 Z: 36 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 24.79 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.503, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.571, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.768 for dens.mod. cycle 3 = 0.300, Contrast = 0.667, Connect. = 0.770 for dens.mod. cycle 4 = 0.300, Contrast = 0.672, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.674, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.677, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.679, Connect. = 0.780 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7819 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1615 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 46.388 2.440 1.150 0.919 1.000 0.833 CA 1.799 B: 13 37.791 2.421 1.010 0.838 0.917 0.667 CA 1.828 13 residues pruned to eliminate duplicates C: 15 31.551 2.203 0.938 0.842 1.000 0.857 CA 1.472 D: 14 36.944 2.282 1.038 0.837 0.923 0.615 CA 1.786 14 residues pruned to eliminate duplicates E: 14 24.944 2.250 0.471 0.867 1.000 0.769 CA 1.529 14 residues pruned to eliminate duplicates F: 14 30.142 2.286 0.559 0.869 1.000 0.769 CA 1.714 14 residues pruned to eliminate duplicates G: 11 25.923 2.397 0.361 0.885 1.000 0.800 CA 1.814 H: 15 28.000 2.132 0.948 0.838 0.929 0.786 CA 1.450 15 residues pruned to eliminate duplicates I: 13 46.212 2.429 0.989 0.912 1.000 0.917 CB 1.956 13 residues pruned to eliminate duplicates J: 14 36.717 2.302 0.832 0.917 0.923 0.846 CA 1.847 14 residues pruned to eliminate duplicates K: 15 26.002 2.219 0.774 0.851 0.929 0.929 CA 1.407 15 residues pruned to eliminate duplicates L: 14 24.021 2.170 0.715 0.928 0.846 0.538 CB 1.482 M: 14 27.182 2.218 0.908 0.835 0.923 0.769 CB 1.445 14 residues pruned to eliminate duplicates N: 13 36.787 2.405 0.813 0.871 1.000 0.667 CB 1.776 13 residues pruned to eliminate duplicates O: 14 24.199 2.258 0.411 0.878 0.923 0.615 CB 1.657 14 residues pruned to eliminate duplicates P: 11 19.937 2.146 0.542 0.923 1.000 0.500 CB 1.339 Q: 13 45.671 2.431 1.094 0.937 0.917 0.583 CA 1.966 13 residues pruned to eliminate duplicates R: 14 27.703 2.171 0.575 0.870 1.000 0.538 CB 1.639 14 residues pruned to eliminate duplicates S: 13 21.888 2.089 0.552 0.880 1.000 0.833 CB 1.412 T: 14 30.247 2.162 0.862 0.904 1.000 0.846 CA 1.484 14 residues pruned to eliminate duplicates U: 16 41.064 2.236 0.976 0.908 1.000 0.733 CA 1.704 V: 9 23.669 2.194 0.895 0.831 1.000 0.625 CA 1.512 W: 10 20.233 2.011 0.728 0.821 1.000 0.444 CA 1.469 9 residues pruned to eliminate duplicates X: 13 36.851 2.368 0.641 0.932 1.000 0.667 CB 1.912 14 residues pruned to eliminate duplicates Y: 12 29.822 2.305 0.726 0.921 1.000 0.818 CB 1.591 13 residues pruned to eliminate duplicates Z: 13 28.803 2.286 0.511 0.911 1.000 0.750 CB 1.706 13 residues pruned to eliminate duplicates Z: 11 19.082 2.159 0.524 0.919 0.900 0.600 CB 1.436 11 residues pruned to eliminate duplicates Z: 8 17.144 2.185 0.433 0.886 1.000 1.000 CA 1.494 Z: 14 32.714 2.200 0.886 0.883 1.000 0.923 CA 1.581 15 residues pruned to eliminate duplicates Z: 13 49.526 2.440 1.409 0.916 0.917 0.500 CA 1.874 13 residues pruned to eliminate duplicates Z: 8 10.548 2.157 0.091 0.700 0.857 0.714 CA 1.646 Z: 12 12.971 2.004 0.316 0.880 0.818 0.545 CB 1.313 12 residues pruned to eliminate duplicates Z: 11 18.141 2.273 0.305 0.822 0.800 0.600 CA 1.828 Z: 12 20.725 2.093 0.557 0.881 1.000 0.727 CB 1.388 11 residues pruned to eliminate duplicates Z: 26 34.841 2.028 0.686 0.924 1.000 0.640 CB 1.432 Z: 31 43.745 2.227 0.596 0.907 1.000 0.867 CA 1.598 Z: 30 37.932 2.111 0.742 0.928 0.897 0.759 CB 1.496 Z: 9 27.806 2.252 0.925 0.822 1.000 0.750 CA 1.716 10 residues pruned to eliminate duplicates Z: 7 14.996 2.256 0.462 0.860 1.000 1.000 CA 1.366 7 residues pruned to eliminate duplicates Z: 6 5.759 1.716 0.518 0.823 0.600 0.600 CA 1.245 Z: 11 25.706 2.218 0.444 0.855 1.000 0.600 CA 1.873 11 residues pruned to eliminate duplicates Z: 8 26.092 2.152 0.791 0.891 1.000 0.857 CB 1.839 Z: 14 23.805 2.112 0.783 0.825 0.846 0.692 CB 1.564 Z: 8 17.345 2.255 0.440 0.860 1.000 0.714 CB 1.484 Z: 14 41.557 2.302 0.956 0.925 1.000 0.846 CA 1.796 14 residues pruned to eliminate duplicates Z: 11 15.516 1.795 0.497 0.737 1.000 0.600 CB 1.476 Z: 11 24.832 2.140 0.679 0.877 1.000 0.800 CB 1.586 Z: 15 43.731 2.291 0.969 0.921 1.000 0.929 CA 1.824 15 residues pruned to eliminate duplicates Z: 30 44.873 2.269 0.636 0.928 1.000 0.897 CA 1.572 31 residues pruned to eliminate duplicates Z: 16 17.274 2.047 0.245 0.861 0.867 0.867 CA 1.484 8 residues pruned to eliminate duplicates Z: 16 36.166 2.241 0.683 0.907 1.000 0.867 CA 1.759 17 residues pruned to eliminate duplicates Z: 6 7.027 1.886 0.626 0.392 0.800 0.600 O 1.436 Z: 11 25.693 2.391 0.533 0.869 0.900 0.800 CA 1.800 11 residues pruned to eliminate duplicates Z: 17 21.696 2.047 0.479 0.804 0.938 0.688 CA 1.467 16 residues pruned to eliminate duplicates Z: 7 25.235 2.173 0.856 0.884 1.000 0.667 CB 1.846 7 residues pruned to eliminate duplicates Z: 10 15.316 2.163 0.373 0.807 0.889 0.667 CB 1.479 10 residues pruned to eliminate duplicates Z: 11 13.187 1.761 0.471 0.737 0.900 0.700 O 1.446 Z: 30 47.476 2.253 0.745 0.931 0.966 0.759 CA 1.623 30 residues pruned to eliminate duplicates Z: 12 34.339 2.488 0.552 0.882 1.000 0.909 CA 1.939 12 residues pruned to eliminate duplicates Z: 11 20.902 2.173 0.314 0.833 1.000 0.600 N 1.736 10 residues pruned to eliminate duplicates Z: 16 29.747 2.209 0.620 0.920 0.867 0.800 CA 1.745 16 residues pruned to eliminate duplicates Z: 16 24.502 2.014 0.436 0.878 1.000 0.667 CB 1.588 15 residues pruned to eliminate duplicates Z: 10 21.497 2.339 0.365 0.868 1.000 0.667 CB 1.641 10 residues pruned to eliminate duplicates Z: 16 34.719 2.216 0.796 0.911 0.933 0.867 CA 1.710 16 residues pruned to eliminate duplicates Z: 11 21.297 2.269 0.507 0.853 0.900 0.700 CB 1.617 Z: 16 15.831 1.840 0.608 0.491 1.000 0.667 CB 1.394 Z: 8 28.517 2.491 0.626 0.910 1.000 1.000 CA 1.887 9 residues pruned to eliminate duplicates Z: 13 39.730 2.332 0.905 0.921 1.000 0.583 CB 1.817 13 residues pruned to eliminate duplicates Z: 30 45.000 2.254 0.625 0.920 1.000 0.897 CA 1.606 30 residues pruned to eliminate duplicates Z: 13 18.623 2.111 0.338 0.839 1.000 0.750 CA 1.422 13 residues pruned to eliminate duplicates Z: 13 19.708 2.053 0.437 0.872 0.917 0.833 CB 1.533 12 residues pruned to eliminate duplicates Z: 24 37.555 2.236 1.014 0.628 0.870 0.652 CB 1.772 16 residues pruned to eliminate duplicates Z: 16 11.148 1.818 0.661 0.465 0.800 0.600 CB 1.236 16 residues pruned to eliminate duplicates Z: 13 24.210 2.158 0.611 0.730 1.000 0.667 CB 1.634 11 residues pruned to eliminate duplicates Z: 31 52.852 2.207 0.959 0.921 0.967 0.800 CB 1.625 30 residues pruned to eliminate duplicates Z: 29 54.589 2.300 0.909 0.927 0.964 0.679 CB 1.707 29 residues pruned to eliminate duplicates Z: 13 41.267 2.348 1.165 0.852 0.917 0.667 CA 1.891 13 residues pruned to eliminate duplicates Z: 13 18.508 2.121 0.494 0.832 0.833 0.583 CB 1.519 13 residues pruned to eliminate duplicates Z: 23 23.782 2.080 0.217 0.871 1.000 0.864 CB 1.460 Z: 16 40.498 2.240 0.907 0.898 0.933 0.467 CA 1.876 15 residues pruned to eliminate duplicates Z: 32 22.421 2.112 0.507 0.499 0.871 0.613 CB 1.455 13 residues pruned to eliminate duplicates Z: 25 34.033 2.224 0.513 0.903 0.958 0.833 CA 1.536 25 residues pruned to eliminate duplicates Z: 32 40.793 2.081 0.817 0.916 0.935 0.677 CB 1.463 30 residues pruned to eliminate duplicates Z: 11 21.373 2.233 0.271 0.811 1.000 0.700 CA 1.816 11 residues pruned to eliminate duplicates Z: 15 21.446 1.994 0.285 0.874 1.000 0.714 CB 1.628 15 residues pruned to eliminate duplicates Z: 30 57.579 2.275 0.941 0.946 1.000 0.517 CB 1.674 30 residues pruned to eliminate duplicates Z: 7 12.901 2.003 0.413 0.843 0.833 0.667 C 1.663 7 residues pruned to eliminate duplicates Z: 14 24.945 2.234 0.286 0.925 1.000 1.000 CA 1.689 14 residues pruned to eliminate duplicates Z: 30 47.078 2.266 0.693 0.915 0.966 0.759 CA 1.668 30 residues pruned to eliminate duplicates Z: 23 21.638 2.055 0.075 0.904 1.000 0.818 CB 1.488 23 residues pruned to eliminate duplicates Z: 10 19.154 2.383 0.134 0.859 1.000 0.667 CB 1.738 10 residues pruned to eliminate duplicates Z: 16 29.447 2.208 0.689 0.885 0.933 0.800 CA 1.577 16 residues pruned to eliminate duplicates Z: 30 37.451 2.209 0.551 0.926 0.862 0.621 CB 1.651 30 residues pruned to eliminate duplicates Z: 12 27.996 2.250 0.629 0.885 1.000 0.727 CB 1.663 13 residues pruned to eliminate duplicates Z: 12 25.363 2.234 0.541 0.884 1.000 0.818 CA 1.605 12 residues pruned to eliminate duplicates Z: 20 19.545 1.804 0.829 0.739 0.789 0.368 CA 1.390 20 residues pruned to eliminate duplicates Z: 10 18.213 2.160 0.472 0.837 0.889 0.667 CA 1.607 10 residues pruned to eliminate duplicates Z: 37 23.101 2.115 0.492 0.484 0.917 0.639 CB 1.353 18 residues pruned to eliminate duplicates Z: 15 28.316 2.016 0.506 0.880 1.000 0.929 CA 1.806 Z: 15 16.225 2.019 0.170 0.887 1.000 0.929 CA 1.324 15 residues pruned to eliminate duplicates Z: 30 55.959 2.217 1.092 0.913 1.000 0.621 CB 1.585 30 residues pruned to eliminate duplicates Z: 30 42.619 2.255 0.577 0.928 0.966 0.897 CA 1.614 30 residues pruned to eliminate duplicates Z: 15 18.348 2.016 0.189 0.867 1.000 0.714 CA 1.497 15 residues pruned to eliminate duplicates Z: 11 30.321 2.380 0.807 0.918 1.000 0.800 CB 1.572 12 residues pruned to eliminate duplicates Z: 40 30.621 1.921 0.686 0.640 0.974 0.590 CB 1.363 Z: 13 18.863 2.114 0.208 0.815 1.000 0.583 CB 1.622 14 residues pruned to eliminate duplicates Z: 24 31.480 2.036 0.628 0.906 0.957 0.609 CB 1.473 23 residues pruned to eliminate duplicates Z: 11 28.713 2.321 0.881 0.829 0.900 0.800 CB 1.740 11 residues pruned to eliminate duplicates Z: 23 22.499 1.978 0.120 0.923 1.000 0.955 CB 1.523 23 residues pruned to eliminate duplicates Z: 14 25.679 2.007 0.699 0.856 1.000 0.538 CB 1.540 Z: 22 33.293 2.111 0.526 0.929 1.000 0.571 CB 1.579 24 residues pruned to eliminate duplicates Z: 30 52.215 2.248 1.022 0.919 0.966 0.793 CB 1.557 31 residues pruned to eliminate duplicates Z: 11 15.521 2.042 0.152 0.832 0.900 0.900 CB 1.740 11 residues pruned to eliminate duplicates Z: 15 42.868 2.294 0.869 0.937 1.000 0.571 CA 1.859 15 residues pruned to eliminate duplicates Z: 29 28.177 2.030 0.614 0.600 1.000 0.750 CB 1.477 29 residues pruned to eliminate duplicates Z: 29 32.289 2.240 0.813 0.608 0.893 0.607 CB 1.518 34 residues pruned to eliminate duplicates Z: 20 20.868 1.857 0.662 0.682 0.947 0.526 CA 1.386 Z: 71 37.568 2.021 0.648 0.614 0.900 0.586 CB 1.344 52 residues pruned to eliminate duplicates Z: 18 21.191 1.867 0.387 0.874 0.941 0.824 CA 1.535 18 residues pruned to eliminate duplicates Z: 12 23.601 2.051 0.599 0.877 1.000 0.909 CA 1.575 11 residues pruned to eliminate duplicates Z: 13 7.243 1.682 0.607 0.481 0.750 0.583 CB 1.051 Z: 15 22.273 2.103 0.311 0.903 0.929 0.857 CB 1.658 15 residues pruned to eliminate duplicates Z: 7 9.833 1.728 0.363 0.819 1.000 0.667 N 1.293 7 residues pruned to eliminate duplicates Z: 30 51.863 2.153 1.008 0.923 1.000 0.793 CB 1.565 30 residues pruned to eliminate duplicates Z: 30 46.320 2.247 0.714 0.913 0.966 0.793 CB 1.638 30 residues pruned to eliminate duplicates Z: 16 30.795 2.245 0.487 0.911 1.000 0.733 CA 1.687 16 residues pruned to eliminate duplicates Z: 16 27.419 1.989 0.829 0.879 0.933 0.667 CA 1.511 20 residues pruned to eliminate duplicates Z: 8 14.299 2.106 0.267 0.856 1.000 0.857 CB 1.494 8 residues pruned to eliminate duplicates Z: 29 44.173 2.231 0.578 0.919 1.000 0.786 CA 1.672 29 residues pruned to eliminate duplicates Z: 30 54.157 2.269 0.895 0.937 0.966 0.759 CB 1.686 30 residues pruned to eliminate duplicates Z: 11 13.951 1.738 0.464 0.827 1.000 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 13 26.296 2.246 0.571 0.918 1.000 0.917 CA 1.518 13 residues pruned to eliminate duplicates Z: 14 22.971 2.197 0.469 0.858 0.923 0.846 CB 1.575 14 residues pruned to eliminate duplicates Z: 24 24.972 2.048 0.246 0.923 0.957 0.913 CB 1.499 24 residues pruned to eliminate duplicates Z: 11 22.655 2.092 0.555 0.824 1.000 0.800 CA 1.663 11 residues pruned to eliminate duplicates Z: 10 18.003 2.170 0.340 0.902 0.889 0.778 CB 1.656 10 residues pruned to eliminate duplicates Z: 11 19.168 2.151 0.272 0.872 1.000 0.900 CB 1.615 11 residues pruned to eliminate duplicates Z: 11 21.827 2.146 0.333 0.831 1.000 0.600 CA 1.813 11 residues pruned to eliminate duplicates Z: 11 36.952 2.400 0.683 0.905 1.000 0.700 N 2.059 11 residues pruned to eliminate duplicates Z: 23 38.982 2.042 0.910 0.927 0.955 0.500 CB 1.564 23 residues pruned to eliminate duplicates Z: 30 25.963 2.172 0.538 0.555 0.966 0.759 CB 1.417 24 residues pruned to eliminate duplicates Z: 8 11.639 2.309 0.618 0.353 0.857 0.429 CB 1.610 8 residues pruned to eliminate duplicates Z: 14 24.126 2.066 0.785 0.857 0.923 0.538 CB 1.449 14 residues pruned to eliminate duplicates Z: 6 5.289 2.212 -0.017 0.745 0.800 0.800 CB 1.092 Z: 7 11.780 1.720 0.843 0.848 1.000 0.833 CB 1.125 Z: 38 35.010 2.024 0.721 0.749 0.973 0.568 CB 1.360 25 residues pruned to eliminate duplicates Z: 15 19.828 1.892 0.528 0.915 1.000 0.857 CB 1.295 Z: 8 13.517 1.943 0.178 0.875 1.000 1.000 CA 1.624 8 residues pruned to eliminate duplicates Z: 15 33.993 2.352 0.591 0.909 0.929 0.643 CA 1.856 15 residues pruned to eliminate duplicates Z: 6 12.197 2.155 0.592 0.554 1.000 0.600 CA 1.508 11 residues pruned to eliminate duplicates Z: 12 28.014 2.206 0.718 0.887 1.000 0.636 CA 1.607 12 residues pruned to eliminate duplicates Z: 30 52.599 2.231 1.141 0.897 0.931 0.345 CB 1.572 30 residues pruned to eliminate duplicates Z: 9 13.086 1.896 0.633 0.778 1.000 0.625 CA 1.169 8 residues pruned to eliminate duplicates Z: 31 44.310 2.111 0.784 0.898 0.967 0.900 CA 1.589 31 residues pruned to eliminate duplicates Z: 19 30.815 2.083 0.797 0.895 0.889 0.556 CB 1.565 19 residues pruned to eliminate duplicates Z: 38 26.691 2.097 0.549 0.552 0.838 0.595 CB 1.533 42 residues pruned to eliminate duplicates Z: 21 12.275 2.047 0.580 0.292 0.750 0.550 CB 1.428 21 residues pruned to eliminate duplicates Z: 15 33.565 2.267 0.681 0.894 0.929 0.714 CA 1.819 15 residues pruned to eliminate duplicates Z: 16 29.522 2.212 0.445 0.915 1.000 0.867 CA 1.685 16 residues pruned to eliminate duplicates Z: 13 25.527 2.087 0.573 0.915 1.000 0.667 CB 1.586 13 residues pruned to eliminate duplicates Z: 23 25.588 2.081 0.443 0.887 0.909 0.591 CB 1.441 23 residues pruned to eliminate duplicates Z: 15 16.693 1.732 0.570 0.890 1.000 0.929 CB 1.181 Z: 24 26.782 1.959 0.577 0.836 0.957 0.739 CB 1.415 24 residues pruned to eliminate duplicates Z: 24 33.473 2.060 0.611 0.929 1.000 0.826 CB 1.471 24 residues pruned to eliminate duplicates Z: 11 24.707 2.345 1.039 0.907 0.900 0.700 CB 1.291 10 residues pruned to eliminate duplicates Z: 28 29.579 1.975 0.713 0.927 0.963 0.815 CB 1.224 Z: 15 37.463 2.288 0.700 0.936 1.000 0.643 CB 1.793 15 residues pruned to eliminate duplicates Z: 14 28.337 2.246 0.782 0.886 0.923 0.385 CB 1.534 15 residues pruned to eliminate duplicates Z: 9 22.462 2.229 0.657 0.854 1.000 0.875 CB 1.588 9 residues pruned to eliminate duplicates Z: 7 19.306 2.257 0.852 0.816 1.000 0.667 CA 1.433 7 residues pruned to eliminate duplicates Z: 17 28.269 2.099 0.576 0.865 0.938 0.750 CA 1.669 17 residues pruned to eliminate duplicates Z: 19 17.510 1.923 0.583 0.861 0.889 0.667 CB 1.120 20 residues pruned to eliminate duplicates Z: 30 37.069 2.231 0.525 0.908 0.966 0.897 CA 1.488 30 residues pruned to eliminate duplicates Z: 16 39.969 2.227 0.885 0.936 1.000 0.867 CB 1.712 16 residues pruned to eliminate duplicates Z: 13 22.349 2.019 0.628 0.900 1.000 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 16 24.494 2.087 0.399 0.869 1.000 0.933 CA 1.582 16 residues pruned to eliminate duplicates Z: 10 12.733 2.138 -0.124 0.910 1.000 0.889 CA 1.606 10 residues pruned to eliminate duplicates Z: 8 10.591 2.076 0.840 0.381 0.714 0.429 N 1.664 8 residues pruned to eliminate duplicates Z: 9 19.744 2.284 0.526 0.894 0.875 0.750 CB 1.642 9 residues pruned to eliminate duplicates Z: 29 14.117 1.962 0.510 0.361 0.750 0.429 CB 1.395 Z: 30 55.071 2.258 0.971 0.934 1.000 0.552 CB 1.603 30 residues pruned to eliminate duplicates Z: 14 21.505 2.067 0.374 0.886 1.000 0.769 CA 1.515 14 residues pruned to eliminate duplicates Z: 12 6.657 1.855 0.287 0.354 0.818 0.273 CB 1.204 11 residues pruned to eliminate duplicates Z: 12 51.583 2.493 1.435 0.922 0.909 0.273 CB 1.983 13 residues pruned to eliminate duplicates Z: 26 28.787 2.026 0.806 0.895 0.920 0.800 CB 1.225 25 residues pruned to eliminate duplicates Z: 20 15.331 2.057 0.604 0.478 0.789 0.368 CB 1.381 20 residues pruned to eliminate duplicates Z: 32 39.540 2.053 0.671 0.921 0.968 0.806 CB 1.505 32 residues pruned to eliminate duplicates Z: 29 42.613 2.268 0.585 0.933 0.929 0.893 CA 1.684 29 residues pruned to eliminate duplicates Z: 12 9.187 1.909 0.245 0.355 0.909 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 11 5.789 1.725 0.353 0.370 0.700 0.700 CB 1.288 Z: 28 39.296 1.997 0.915 0.920 1.000 0.778 CB 1.393 29 residues pruned to eliminate duplicates Z: 28 44.101 2.180 0.820 0.930 1.000 0.889 CB 1.497 28 residues pruned to eliminate duplicates Z: 9 14.483 2.107 0.314 0.889 1.000 1.000 CB 1.331 11 residues pruned to eliminate duplicates Z: 18 18.713 2.011 0.958 0.515 0.824 0.412 CB 1.379 16 residues pruned to eliminate duplicates Z: 7 11.682 2.062 0.278 0.842 0.833 0.667 O 1.617 25 residues pruned to eliminate duplicates Z: 31 33.787 2.083 0.613 0.907 0.933 0.533 CB 1.398 31 residues pruned to eliminate duplicates Z: 16 20.544 2.068 0.291 0.885 1.000 1.000 CA 1.434 16 residues pruned to eliminate duplicates Z: 28 28.456 1.963 0.598 0.860 0.963 0.815 CB 1.334 28 residues pruned to eliminate duplicates Z: 6 12.023 2.025 0.593 0.765 1.000 0.600 CA 1.317 Z: 30 39.115 2.158 0.858 0.907 0.862 0.310 CB 1.494 30 residues pruned to eliminate duplicates Z: 19 16.460 2.104 0.498 0.400 0.944 0.278 CB 1.449 19 residues pruned to eliminate duplicates Z: 9 12.829 1.853 0.442 0.711 1.000 0.750 CB 1.402 6 residues pruned to eliminate duplicates Z: 20 17.185 1.655 0.552 0.942 0.947 0.579 CB 1.123 16 residues pruned to eliminate duplicates Z: 8 7.532 1.823 0.381 0.708 0.857 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 13 44.056 2.431 1.037 0.908 1.000 0.917 CA 1.825 13 residues pruned to eliminate duplicates Z: 9 16.459 1.844 0.618 0.816 1.000 0.875 N 1.482 9 residues pruned to eliminate duplicates Z: 8 16.112 1.820 0.715 0.882 1.000 0.714 CB 1.412 Z: 10 12.720 1.705 0.646 0.812 1.000 0.667 CB 1.151 10 residues pruned to eliminate duplicates Z: 10 13.886 1.794 0.418 0.773 1.000 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 32 56.137 2.180 1.042 0.931 1.000 0.677 CB 1.583 32 residues pruned to eliminate duplicates Z: 21 22.300 2.063 0.227 0.902 0.950 0.850 CB 1.479 21 residues pruned to eliminate duplicates Z: 23 31.039 2.038 0.757 0.897 0.955 0.591 CB 1.386 23 residues pruned to eliminate duplicates Z: 8 19.856 1.981 0.904 0.881 1.000 0.714 CA 1.440 8 residues pruned to eliminate duplicates Z: 30 42.827 2.244 0.534 0.920 1.000 0.897 CA 1.627 30 residues pruned to eliminate duplicates Z: 30 44.334 2.249 0.861 0.909 0.897 0.517 CB 1.557 30 residues pruned to eliminate duplicates Z: 22 18.414 1.825 0.271 0.918 1.000 0.762 CB 1.222 Z: 7 9.169 1.789 0.383 0.659 1.000 0.667 CB 1.305 7 residues pruned to eliminate duplicates Z: 13 20.558 2.080 0.433 0.903 1.000 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 34 25.040 1.936 0.647 0.621 0.939 0.485 CB 1.298 35 residues pruned to eliminate duplicates Z: 15 26.910 2.302 0.296 0.909 0.929 0.857 CA 1.843 15 residues pruned to eliminate duplicates Z: 14 31.097 2.180 0.981 0.903 1.000 0.846 CA 1.423 14 residues pruned to eliminate duplicates Z: 17 22.194 1.861 0.456 0.840 0.938 0.750 N 1.630 17 residues pruned to eliminate duplicates Z: 16 30.204 2.157 0.527 0.914 1.000 0.867 CA 1.674 16 residues pruned to eliminate duplicates Z: 11 24.969 2.180 0.622 0.895 1.000 0.800 CB 1.600 12 residues pruned to eliminate duplicates Z: 23 21.738 1.993 0.125 0.905 1.000 0.909 CB 1.471 23 residues pruned to eliminate duplicates Z: 31 39.464 2.093 0.597 0.904 0.967 0.800 CB 1.589 31 residues pruned to eliminate duplicates Z: 30 48.988 2.152 0.902 0.931 1.000 0.690 CB 1.553 30 residues pruned to eliminate duplicates Z: 12 16.738 1.976 0.409 0.859 1.000 0.727 CA 1.334 12 residues pruned to eliminate duplicates Z: 16 23.032 1.917 0.396 0.927 1.000 0.800 CB 1.557 Z: 14 18.743 1.963 0.441 0.888 0.846 0.846 CA 1.564 Z: 15 27.206 2.145 1.313 0.861 0.929 0.500 CB 1.160 15 residues pruned to eliminate duplicates Z: 31 42.997 2.094 0.793 0.932 1.000 0.867 CB 1.460 31 residues pruned to eliminate duplicates Z: 7 8.534 1.949 0.376 0.662 0.833 0.667 CB 1.342 Z: 15 14.648 1.856 0.290 0.906 1.000 0.929 CB 1.163 15 residues pruned to eliminate duplicates Z: 17 21.383 1.968 0.404 0.831 0.938 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 20 20.483 1.879 0.429 0.924 1.000 0.684 CB 1.230 22 residues pruned to eliminate duplicates Z: 13 19.171 1.979 0.391 0.899 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 23 23.124 1.980 0.567 0.657 0.955 0.773 CB 1.439 23 residues pruned to eliminate duplicates Z: 14 22.171 1.932 0.334 0.937 1.000 0.923 CA 1.660 14 residues pruned to eliminate duplicates Z: 15 15.980 1.921 0.439 0.835 0.929 0.643 CB 1.246 15 residues pruned to eliminate duplicates Z: 11 11.361 2.066 0.652 0.323 0.900 0.500 CB 1.421 11 residues pruned to eliminate duplicates Z: 12 16.858 2.012 0.431 0.841 0.909 0.727 CB 1.449 12 residues pruned to eliminate duplicates Z: 30 37.704 2.135 0.783 0.922 0.931 0.552 CB 1.389 30 residues pruned to eliminate duplicates Z: 10 12.368 2.201 -0.037 0.916 0.889 0.778 CA 1.546 10 residues pruned to eliminate duplicates Z: 14 25.354 2.127 0.933 0.872 0.846 0.615 CB 1.474 14 residues pruned to eliminate duplicates Z: 24 21.261 2.006 0.285 0.826 0.957 0.783 CB 1.356 24 residues pruned to eliminate duplicates Z: 11 8.052 1.942 0.214 0.472 0.800 0.500 CB 1.389 Z: 16 22.945 2.114 0.527 0.897 0.933 0.933 CA 1.408 16 residues pruned to eliminate duplicates Z: 11 15.071 1.884 0.268 0.883 1.000 0.900 CB 1.442 Z: 17 25.588 1.888 0.567 0.823 1.000 0.625 N 1.634 16 residues pruned to eliminate duplicates Z: 30 42.384 2.130 0.657 0.920 1.000 0.862 CB 1.571 30 residues pruned to eliminate duplicates Z: 18 18.577 1.862 0.653 0.858 0.882 0.647 CB 1.222 18 residues pruned to eliminate duplicates Z: 31 36.758 2.070 0.712 0.924 0.967 0.700 CB 1.376 31 residues pruned to eliminate duplicates Z: 11 20.844 1.935 0.734 0.888 0.900 0.700 CB 1.573 11 residues pruned to eliminate duplicates Z: 32 23.779 2.079 0.474 0.581 0.935 0.645 CB 1.378 32 residues pruned to eliminate duplicates Z: 7 7.311 1.614 0.300 0.734 0.833 0.667 N 1.383 Z: 17 12.201 1.651 0.382 0.885 0.938 0.688 CB 1.029 17 residues pruned to eliminate duplicates Z: 12 20.803 2.025 0.620 0.836 0.909 0.636 CB 1.574 11 residues pruned to eliminate duplicates Z: 28 30.681 1.926 0.535 0.904 0.963 0.815 CB 1.477 28 residues pruned to eliminate duplicates Z: 21 31.832 2.121 0.667 0.900 1.000 0.450 CB 1.438 21 residues pruned to eliminate duplicates Z: 6 7.721 1.980 0.020 0.838 1.000 0.800 CB 1.278 6 residues pruned to eliminate duplicates Z: 8 10.400 1.660 0.481 0.764 1.000 0.714 CB 1.265 7 residues pruned to eliminate duplicates Z: 16 23.211 1.979 0.366 0.882 1.000 0.867 CB 1.604 16 residues pruned to eliminate duplicates Z: 17 20.168 1.893 0.237 0.857 1.000 0.750 CB 1.586 17 residues pruned to eliminate duplicates Z: 23 32.757 2.105 0.655 0.905 0.955 0.727 CB 1.494 23 residues pruned to eliminate duplicates Z: 7 7.542 2.045 0.308 0.457 1.000 0.833 CB 1.203 9 residues pruned to eliminate duplicates Z: 11 13.567 2.288 0.609 0.375 0.900 0.600 CB 1.479 11 residues pruned to eliminate duplicates Z: 13 16.749 1.814 0.489 0.885 1.000 0.833 CB 1.292 11 residues pruned to eliminate duplicates Z: 10 12.692 1.865 0.353 0.777 0.889 0.667 CB 1.476 10 residues pruned to eliminate duplicates Z: 19 13.069 2.102 0.378 0.429 0.833 0.444 CB 1.374 19 residues pruned to eliminate duplicates Z: 16 26.506 1.973 0.760 0.889 0.933 0.733 CA 1.521 16 residues pruned to eliminate duplicates Z: 31 20.930 1.928 0.468 0.581 0.867 0.700 CA 1.441 31 residues pruned to eliminate duplicates Z: 49 38.631 2.128 0.689 0.638 0.875 0.625 CB 1.558 49 residues pruned to eliminate duplicates Z: 8 12.005 2.125 0.507 0.858 1.000 0.857 CB 1.044 8 residues pruned to eliminate duplicates Z: 7 7.858 1.987 0.749 0.594 0.833 0.500 CB 1.012 Z: 9 8.104 1.958 0.161 0.600 1.000 0.875 CB 1.146 9 residues pruned to eliminate duplicates Z: 7 4.526 1.611 0.251 0.736 1.000 0.667 CB 0.742 Z: 8 20.211 1.986 1.083 0.877 1.000 0.857 CB 1.342 8 residues pruned to eliminate duplicates Z: 11 28.275 2.206 0.797 0.878 1.000 0.900 CA 1.637 12 residues pruned to eliminate duplicates Z: 36 31.572 2.062 0.828 0.655 0.857 0.571 CB 1.431 36 residues pruned to eliminate duplicates Z: 15 24.575 1.982 0.381 0.922 1.000 1.000 CB 1.688 15 residues pruned to eliminate duplicates Z: 10 6.757 1.817 0.455 0.425 0.889 0.556 CB 1.036 7 residues pruned to eliminate duplicates Z: 9 23.013 2.259 0.655 0.893 1.000 0.875 CB 1.562 9 residues pruned to eliminate duplicates Z: 34 51.002 2.278 0.928 0.724 0.939 0.818 CB 1.757 34 residues pruned to eliminate duplicates Z: 23 22.850 1.787 0.474 0.921 1.000 0.727 CB 1.301 20 residues pruned to eliminate duplicates Z: 19 34.767 2.081 0.749 0.915 1.000 0.722 CB 1.591 19 residues pruned to eliminate duplicates Z: 13 39.672 2.327 0.977 0.926 1.000 0.750 CA 1.746 13 residues pruned to eliminate duplicates Z: 27 29.402 1.959 0.601 0.920 0.962 0.808 CB 1.346 27 residues pruned to eliminate duplicates Z: 8 16.850 1.894 0.921 0.794 0.857 0.714 CB 1.578 7 residues pruned to eliminate duplicates Z: 31 51.230 2.224 0.834 0.914 0.967 0.833 CB 1.678 31 residues pruned to eliminate duplicates Z: 12 6.726 1.765 0.264 0.482 0.909 0.636 CB 1.018 12 residues pruned to eliminate duplicates Z: 15 31.457 2.110 1.034 0.843 1.000 0.714 CB 1.458 18 residues pruned to eliminate duplicates Z: 15 20.677 1.933 0.597 0.903 0.929 0.500 CB 1.374 15 residues pruned to eliminate duplicates Z: 7 13.970 1.936 0.437 0.808 1.000 1.000 CB 1.567 7 residues pruned to eliminate duplicates Z: 22 29.896 2.135 0.659 0.845 0.905 0.857 CB 1.514 22 residues pruned to eliminate duplicates Z: 36 22.642 2.045 0.575 0.479 0.857 0.400 CB 1.417 30 residues pruned to eliminate duplicates Z: 8 11.446 2.108 0.333 0.818 0.857 0.571 CB 1.363 8 residues pruned to eliminate duplicates Z: 21 29.300 2.156 0.481 0.932 0.950 0.950 CB 1.508 21 residues pruned to eliminate duplicates Z: 16 22.295 1.924 0.508 0.877 0.933 0.800 CB 1.543 16 residues pruned to eliminate duplicates Z: 8 27.156 2.489 0.655 0.906 1.000 1.000 CA 1.772 8 residues pruned to eliminate duplicates Z: 12 23.253 2.017 0.535 0.836 1.000 0.636 CA 1.694 12 residues pruned to eliminate duplicates Z: 32 26.142 2.218 0.580 0.476 0.903 0.581 CB 1.520 35 residues pruned to eliminate duplicates Z: 28 29.755 1.954 0.624 0.902 0.963 0.667 CB 1.337 28 residues pruned to eliminate duplicates Z: 31 53.932 2.214 1.064 0.916 0.967 0.533 CB 1.574 31 residues pruned to eliminate duplicates Z: 16 24.598 2.055 0.456 0.858 1.000 0.733 CA 1.563 16 residues pruned to eliminate duplicates Z: 11 18.235 2.086 0.600 0.887 0.900 0.900 CB 1.384 11 residues pruned to eliminate duplicates Z: 22 12.565 1.746 0.582 0.446 0.905 0.476 CB 1.160 22 residues pruned to eliminate duplicates Z: 14 24.040 1.971 0.584 0.909 1.000 0.692 CB 1.517 14 residues pruned to eliminate duplicates Z: 15 24.869 1.982 0.405 0.927 1.000 0.929 CA 1.673 15 residues pruned to eliminate duplicates Z: 15 20.838 1.891 0.525 0.910 1.000 0.929 CB 1.370 15 residues pruned to eliminate duplicates Z: 25 24.744 2.002 0.303 0.917 0.958 0.917 CB 1.426 25 residues pruned to eliminate duplicates Z: 9 19.792 2.195 0.343 0.875 1.000 0.750 CB 1.725 9 residues pruned to eliminate duplicates Z: 7 12.445 1.794 0.618 0.834 1.000 1.000 CA 1.312 8 residues pruned to eliminate duplicates Z: 6 9.928 1.923 0.734 0.754 0.800 0.800 CA 1.328 6 residues pruned to eliminate duplicates Z: 9 6.645 1.709 0.544 0.453 0.750 0.500 CB 1.246 Z: 10 15.451 2.116 0.296 0.820 0.889 0.778 CB 1.600 Z: 14 23.562 1.981 0.505 0.845 1.000 0.769 CB 1.630 14 residues pruned to eliminate duplicates Z: 15 19.930 1.866 0.545 0.898 1.000 0.857 CB 1.322 15 residues pruned to eliminate duplicates Z: 15 19.652 1.878 0.478 0.882 0.929 0.786 CB 1.474 15 residues pruned to eliminate duplicates Z: 8 13.695 2.076 0.285 0.862 1.000 0.857 CA 1.425 8 residues pruned to eliminate duplicates Z: 16 17.211 1.918 0.824 0.800 0.733 0.467 CB 1.333 15 residues pruned to eliminate duplicates Z: 41 24.493 1.927 0.485 0.602 0.925 0.750 CB 1.328 41 residues pruned to eliminate duplicates Z: 22 21.205 1.830 0.431 0.926 1.000 0.810 CB 1.240 22 residues pruned to eliminate duplicates Z: 10 6.976 2.091 -0.125 0.457 0.889 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 27 31.230 1.990 0.642 0.930 1.000 0.808 CB 1.310 27 residues pruned to eliminate duplicates Z: 26 40.295 2.230 0.971 0.716 0.920 0.800 CB 1.639 26 residues pruned to eliminate duplicates Z: 8 16.679 2.089 0.331 0.866 1.000 0.857 CB 1.660 8 residues pruned to eliminate duplicates Z: 25 34.836 2.069 0.824 0.891 0.958 0.750 CB 1.413 25 residues pruned to eliminate duplicates Z: 16 24.875 1.992 0.450 0.872 1.000 0.667 CB 1.621 16 residues pruned to eliminate duplicates Z: 23 31.376 2.055 0.587 0.884 0.955 0.773 CB 1.552 23 residues pruned to eliminate duplicates Z: 16 18.123 2.264 0.289 0.590 1.000 0.800 CB 1.470 17 residues pruned to eliminate duplicates Z: 13 16.145 1.812 0.310 0.845 1.000 0.833 CB 1.460 12 residues pruned to eliminate duplicates Z: 24 30.457 1.971 0.929 0.922 1.000 0.870 CB 1.175 24 residues pruned to eliminate duplicates Z: 14 11.975 1.735 0.651 0.794 0.846 0.692 CB 1.058 13 residues pruned to eliminate duplicates Z: 22 7.906 1.850 0.217 0.386 0.714 0.286 CB 1.211 22 residues pruned to eliminate duplicates Z: 15 39.130 2.319 0.765 0.899 1.000 0.643 CA 1.826 15 residues pruned to eliminate duplicates Z: 15 25.270 1.960 0.483 0.905 1.000 0.929 CB 1.653 15 residues pruned to eliminate duplicates Z: 16 15.905 1.720 0.347 0.797 1.000 0.533 CB 1.367 15 residues pruned to eliminate duplicates Z: 13 19.914 1.744 0.686 0.903 1.000 0.917 CB 1.393 13 residues pruned to eliminate duplicates Z: 7 6.443 1.924 0.201 0.481 0.833 0.500 CB 1.393 7 residues pruned to eliminate duplicates Z: 13 18.852 1.944 0.525 0.870 1.000 0.417 CB 1.340 13 residues pruned to eliminate duplicates Z: 11 27.198 2.290 0.875 0.830 0.900 0.800 CB 1.674 11 residues pruned to eliminate duplicates Z: 20 18.299 1.674 0.478 0.937 1.000 0.842 CB 1.181 20 residues pruned to eliminate duplicates Z: 8 12.085 2.067 0.203 0.738 1.000 0.714 CB 1.484 8 residues pruned to eliminate duplicates Z: 20 24.567 2.079 0.389 0.896 0.947 0.737 CB 1.476 20 residues pruned to eliminate duplicates Z: 13 40.438 2.347 1.210 0.907 1.000 0.750 CA 1.599 14 residues pruned to eliminate duplicates Z: 13 6.485 1.767 0.198 0.458 0.667 0.500 N 1.386 11 residues pruned to eliminate duplicates Z: 15 20.830 1.966 0.463 0.843 0.857 0.857 CB 1.681 15 residues pruned to eliminate duplicates Z: 22 32.243 2.106 0.797 0.920 1.000 0.714 CB 1.309 22 residues pruned to eliminate duplicates Z: 17 19.677 2.167 0.530 0.458 1.000 0.500 CB 1.549 17 residues pruned to eliminate duplicates Z: 21 31.467 2.152 0.620 0.907 0.950 0.650 CB 1.510 21 residues pruned to eliminate duplicates Z: 22 22.613 1.999 0.643 0.638 0.905 0.619 CB 1.459 14 residues pruned to eliminate duplicates Z: 31 22.720 2.128 0.495 0.584 0.867 0.733 CB 1.387 31 residues pruned to eliminate duplicates Z: 16 39.277 2.255 0.781 0.921 1.000 0.933 CA 1.777 16 residues pruned to eliminate duplicates Z: 17 18.589 1.873 0.328 0.806 0.875 0.688 CA 1.635 17 residues pruned to eliminate duplicates Z: 47 33.209 2.077 0.637 0.677 0.891 0.696 CB 1.373 47 residues pruned to eliminate duplicates Z: 16 18.728 1.879 0.533 0.884 0.933 0.733 CB 1.299 16 residues pruned to eliminate duplicates Z: 6 4.521 2.069 0.221 0.587 0.800 0.800 CB 0.921 Z: 15 32.045 2.136 0.792 0.878 1.000 0.714 CB 1.623 16 residues pruned to eliminate duplicates Z: 15 15.365 1.730 0.506 0.871 1.000 0.786 CB 1.149 15 residues pruned to eliminate duplicates Z: 10 20.042 2.027 0.755 0.815 1.000 0.667 CA 1.429 10 residues pruned to eliminate duplicates Z: 21 18.236 1.636 0.511 0.919 1.000 0.800 CB 1.163 20 residues pruned to eliminate duplicates Z: 30 38.101 2.089 0.693 0.923 0.931 0.517 CB 1.510 30 residues pruned to eliminate duplicates Z: 14 15.753 1.916 0.297 0.811 1.000 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 28 32.501 1.987 0.792 0.900 0.926 0.741 CB 1.355 28 residues pruned to eliminate duplicates Z: 14 18.679 1.838 0.347 0.877 1.000 0.769 CB 1.520 13 residues pruned to eliminate duplicates Z: 14 27.216 2.044 0.509 0.902 1.000 0.615 CB 1.746 14 residues pruned to eliminate duplicates Z: 14 20.590 1.877 0.678 0.800 1.000 0.615 CB 1.396 14 residues pruned to eliminate duplicates Z: 14 18.995 1.940 0.474 0.885 1.000 0.846 CB 1.330 14 residues pruned to eliminate duplicates Z: 47 32.113 2.095 0.499 0.636 0.935 0.696 CB 1.420 47 residues pruned to eliminate duplicates Z: 14 18.431 1.885 0.508 0.900 1.000 0.923 CB 1.284 14 residues pruned to eliminate duplicates Z: 19 35.164 2.049 0.733 0.915 1.000 0.444 CA 1.650 19 residues pruned to eliminate duplicates Z: 13 36.494 2.370 1.016 0.877 0.833 0.333 CB 1.921 13 residues pruned to eliminate duplicates Z: 32 29.342 1.929 0.602 0.867 0.903 0.742 CB 1.381 32 residues pruned to eliminate duplicates Z: 6 15.164 2.024 0.671 0.788 1.000 0.800 CB 1.557 7 residues pruned to eliminate duplicates Z: 32 40.130 2.058 0.742 0.915 1.000 0.839 CB 1.420 32 residues pruned to eliminate duplicates Z: 15 26.911 2.002 0.845 0.831 0.929 0.714 CA 1.576 15 residues pruned to eliminate duplicates Z: 14 22.941 2.085 0.583 0.876 0.846 0.385 N 1.656 14 residues pruned to eliminate duplicates Z: 12 21.488 2.146 0.678 0.817 0.909 0.727 CA 1.502 11 residues pruned to eliminate duplicates Z: 9 18.844 2.024 0.637 0.852 0.875 0.875 CB 1.700 11 residues pruned to eliminate duplicates Z: 10 23.371 2.165 0.517 0.860 1.000 0.889 CA 1.744 10 residues pruned to eliminate duplicates Z: 12 14.656 2.078 0.179 0.885 1.000 0.636 CB 1.302 12 residues pruned to eliminate duplicates Z: 24 18.922 1.869 0.500 0.550 0.913 0.609 CB 1.469 26 residues pruned to eliminate duplicates Z: 11 20.104 1.956 0.638 0.921 1.000 0.800 CB 1.397 11 residues pruned to eliminate duplicates Z: 16 30.835 2.094 0.780 0.883 1.000 0.667 CA 1.544 17 residues pruned to eliminate duplicates Z: 12 15.978 1.858 0.283 0.874 0.909 0.818 O 1.618 12 residues pruned to eliminate duplicates Z: 12 12.009 1.983 0.188 0.794 0.909 0.545 CB 1.306 12 residues pruned to eliminate duplicates Z: 7 13.452 2.165 0.813 0.849 0.833 0.833 CA 1.244 7 residues pruned to eliminate duplicates Z: 9 15.465 2.017 0.294 0.898 1.000 0.875 CB 1.498 9 residues pruned to eliminate duplicates Z: 8 5.247 1.728 0.198 0.608 0.714 0.571 CB 1.211 Z: 12 19.234 1.861 0.673 0.905 1.000 1.000 CB 1.326 12 residues pruned to eliminate duplicates Z: 9 5.945 1.815 0.576 0.342 0.625 0.500 CB 1.395 Z: 31 49.397 2.211 0.928 0.912 0.933 0.567 CB 1.605 31 residues pruned to eliminate duplicates Z: 13 21.275 2.203 0.581 0.852 0.833 0.667 CB 1.565 13 residues pruned to eliminate duplicates Z: 13 15.480 1.808 0.273 0.885 1.000 0.833 CB 1.403 13 residues pruned to eliminate duplicates Z: 14 6.390 1.664 0.477 0.282 0.692 0.462 CB 1.332 14 residues pruned to eliminate duplicates Z: 10 11.121 1.850 0.125 0.849 1.000 0.889 CA 1.321 10 residues pruned to eliminate duplicates Z: 25 21.866 1.908 0.222 0.914 1.000 0.875 CB 1.353 25 residues pruned to eliminate duplicates Z: 10 11.667 2.090 0.542 0.817 0.778 0.667 CB 1.178 10 residues pruned to eliminate duplicates Z: 29 32.132 1.906 0.652 0.920 1.000 0.607 CB 1.358 29 residues pruned to eliminate duplicates Z: 26 27.438 1.881 0.721 0.904 0.960 0.800 CB 1.258 26 residues pruned to eliminate duplicates Z: 29 44.008 2.278 0.583 0.927 1.000 0.821 CA 1.616 29 residues pruned to eliminate duplicates Z: 14 16.970 1.814 0.430 0.888 1.000 0.923 CB 1.308 14 residues pruned to eliminate duplicates Z: 7 9.351 1.833 0.491 0.824 1.000 0.833 CB 1.055 7 residues pruned to eliminate duplicates Z: 11 22.064 2.135 0.435 0.871 1.000 0.800 CB 1.662 11 residues pruned to eliminate duplicates Z: 10 11.881 2.003 0.419 0.532 0.889 0.667 CB 1.519 Z: 13 23.344 1.931 0.616 0.908 1.000 0.583 CA 1.534 15 residues pruned to eliminate duplicates Z: 19 30.084 2.201 1.054 0.641 0.833 0.278 CB 1.648 19 residues pruned to eliminate duplicates Z: 12 30.641 2.323 0.810 0.896 1.000 0.909 CB 1.574 12 residues pruned to eliminate duplicates Z: 15 26.113 2.045 0.513 0.893 1.000 0.714 CB 1.619 15 residues pruned to eliminate duplicates Z: 18 19.222 1.850 0.391 0.800 0.882 0.588 N 1.580 18 residues pruned to eliminate duplicates Z: 9 14.287 1.906 0.441 0.825 0.875 0.625 CB 1.586 9 residues pruned to eliminate duplicates Z: 27 13.793 1.904 0.372 0.474 0.731 0.538 CB 1.455 27 residues pruned to eliminate duplicates Z: 7 3.137 1.301 0.305 0.550 0.833 0.667 N 0.862 7 residues pruned to eliminate duplicates Z: 28 25.366 1.895 0.467 0.886 0.889 0.889 CB 1.425 28 residues pruned to eliminate duplicates Z: 12 12.291 1.793 0.530 0.829 0.818 0.545 CB 1.243 12 residues pruned to eliminate duplicates Z: 10 18.491 2.020 0.399 0.878 1.000 0.889 CA 1.583 10 residues pruned to eliminate duplicates Z: 10 13.330 2.120 0.620 0.520 0.889 0.778 CB 1.427 10 residues pruned to eliminate duplicates Z: 17 9.423 1.874 0.336 0.428 0.875 0.688 CB 1.158 17 residues pruned to eliminate duplicates Z: 17 17.136 1.808 0.845 0.851 0.875 0.688 CB 1.086 16 residues pruned to eliminate duplicates Z: 7 9.218 2.135 0.201 0.434 1.000 0.667 CA 1.572 7 residues pruned to eliminate duplicates Z: 12 10.150 1.912 0.293 0.395 0.909 0.545 CB 1.522 13 residues pruned to eliminate duplicates Z: 15 26.254 2.032 0.538 0.905 1.000 0.857 CB 1.598 15 residues pruned to eliminate duplicates Z: 14 18.710 1.956 0.521 0.867 0.923 0.615 CB 1.383 14 residues pruned to eliminate duplicates Z: 7 2.180 1.693 0.108 0.409 0.667 0.667 CB 0.783 Z: 16 22.657 1.922 0.640 0.919 1.000 0.667 CB 1.308 16 residues pruned to eliminate duplicates Z: 9 19.962 2.041 0.525 0.887 1.000 0.750 CB 1.635 Z: 11 18.752 2.006 0.611 0.927 1.000 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 8 9.010 1.961 0.075 0.615 1.000 0.714 CB 1.449 Z: 13 13.914 1.921 0.285 0.868 0.917 0.667 CB 1.297 13 residues pruned to eliminate duplicates Z: 7 2.689 1.869 -0.417 0.829 1.000 0.833 CB 0.758 Z: 27 17.114 1.978 0.491 0.540 0.808 0.615 CB 1.355 27 residues pruned to eliminate duplicates Z: 14 22.101 1.950 0.561 0.913 1.000 0.615 CA 1.426 14 residues pruned to eliminate duplicates Z: 14 23.226 1.849 0.833 0.879 1.000 0.769 CB 1.378 14 residues pruned to eliminate duplicates Z: 7 16.152 2.139 0.417 0.867 1.000 0.833 CA 1.592 7 residues pruned to eliminate duplicates Z: 17 15.511 1.901 0.594 0.595 0.938 0.812 CB 1.247 17 residues pruned to eliminate duplicates Z: 16 17.905 1.903 0.339 0.909 1.000 0.867 CB 1.287 16 residues pruned to eliminate duplicates Z: 6 5.244 1.726 0.441 0.809 0.600 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 14 20.207 1.948 0.373 0.914 1.000 0.923 CB 1.482 13 residues pruned to eliminate duplicates Z: 38 20.367 2.015 0.612 0.426 0.838 0.459 CB 1.328 32 residues pruned to eliminate duplicates Z: 10 6.067 1.805 0.359 0.360 0.778 0.556 CB 1.233 Z: 14 26.177 2.196 0.726 0.763 0.923 0.615 CA 1.644 14 residues pruned to eliminate duplicates Z: 12 20.345 2.127 0.455 0.842 1.000 0.636 CB 1.477 12 residues pruned to eliminate duplicates Z: 13 22.376 2.128 0.356 0.893 1.000 0.917 CA 1.608 13 residues pruned to eliminate duplicates Z: 7 2.277 1.511 0.101 0.247 0.833 0.833 CB 0.897 Z: 13 28.966 2.134 0.834 0.878 0.917 0.750 CB 1.691 13 residues pruned to eliminate duplicates Z: 29 27.667 2.146 0.546 0.656 0.929 0.679 CB 1.468 29 residues pruned to eliminate duplicates Z: 8 2.626 1.453 0.186 0.332 0.857 0.429 CB 0.808 Z: 12 26.156 2.085 0.719 0.889 1.000 0.727 CB 1.584 12 residues pruned to eliminate duplicates Z: 20 11.863 1.719 0.684 0.367 0.895 0.526 CB 1.213 Z: 11 22.871 1.976 0.704 0.924 1.000 1.000 CB 1.508 11 residues pruned to eliminate duplicates Z: 11 16.232 1.931 0.429 0.871 1.000 0.800 CB 1.356 11 residues pruned to eliminate duplicates Z: 13 22.971 1.867 0.658 0.909 1.000 0.917 CB 1.520 15 residues pruned to eliminate duplicates Z: 11 15.757 1.864 0.431 0.885 1.000 1.000 CB 1.348 7 residues pruned to eliminate duplicates Z: 26 25.921 2.124 0.705 0.665 0.880 0.480 CB 1.397 26 residues pruned to eliminate duplicates Z: 7 9.429 1.834 0.615 0.635 1.000 0.500 CB 1.145 Z: 6 2.063 1.649 0.211 0.397 0.600 0.400 CA 0.859 Z: 32 31.453 2.107 0.672 0.764 0.871 0.484 CB 1.457 33 residues pruned to eliminate duplicates Z: 15 17.542 1.758 0.370 0.913 1.000 1.000 CB 1.378 15 residues pruned to eliminate duplicates Z: 9 15.418 1.888 0.555 0.807 1.000 0.625 CA 1.420 9 residues pruned to eliminate duplicates Z: 6 10.664 1.605 0.911 0.866 1.000 0.800 N 1.138 Z: 21 25.534 2.083 0.478 0.919 0.950 0.850 CB 1.376 21 residues pruned to eliminate duplicates Z: 7 2.228 1.833 0.265 0.223 0.500 0.500 CB 1.085 7 residues pruned to eliminate duplicates Z: 26 16.917 2.165 0.585 0.435 0.720 0.400 CB 1.465 26 residues pruned to eliminate duplicates Z: 18 18.167 1.937 0.323 0.822 1.000 0.706 CA 1.301 18 residues pruned to eliminate duplicates Z: 9 14.506 1.928 0.322 0.795 1.000 0.875 CA 1.554 9 residues pruned to eliminate duplicates Z: 31 38.927 2.255 0.788 0.659 0.900 0.533 CB 1.689 31 residues pruned to eliminate duplicates Z: 6 10.363 2.203 0.089 0.832 1.000 0.800 CA 1.450 6 residues pruned to eliminate duplicates Z: 20 26.236 2.047 0.611 0.881 0.895 0.632 CA 1.477 20 residues pruned to eliminate duplicates Z: 8 5.504 1.649 0.684 0.445 0.571 0.286 CB 1.387 Z: 13 20.920 2.034 0.359 0.902 1.000 0.833 CA 1.558 13 residues pruned to eliminate duplicates Z: 11 12.412 1.794 0.436 0.744 0.800 0.700 CB 1.530 10 residues pruned to eliminate duplicates Z: 11 18.008 2.010 0.419 0.925 1.000 0.900 CB 1.401 11 residues pruned to eliminate duplicates Z: 13 16.854 1.827 0.622 0.922 0.917 0.917 CB 1.259 13 residues pruned to eliminate duplicates Z: 19 23.926 2.058 0.675 0.819 0.889 0.556 CB 1.396 19 residues pruned to eliminate duplicates Z: 15 27.604 2.090 0.678 0.913 0.929 0.857 CA 1.604 15 residues pruned to eliminate duplicates Z: 14 30.136 2.240 0.549 0.888 1.000 0.846 CA 1.735 14 residues pruned to eliminate duplicates Z: 9 6.165 1.573 0.193 0.745 0.750 0.500 O 1.244 9 residues pruned to eliminate duplicates Z: 11 16.486 1.862 0.562 0.892 1.000 0.900 CB 1.287 11 residues pruned to eliminate duplicates Z: 8 4.212 1.697 0.084 0.434 0.714 0.571 O 1.297 Z: 11 4.445 1.742 -0.039 0.538 1.000 0.400 CB 0.810 Z: 8 11.932 1.931 0.580 0.806 1.000 0.857 CA 1.131 8 residues pruned to eliminate duplicates Z: 13 18.895 1.875 0.655 0.886 0.917 0.750 CA 1.384 13 residues pruned to eliminate duplicates Z: 7 5.190 1.485 0.180 0.526 1.000 0.333 CA 1.179 7 residues pruned to eliminate duplicates Z: 22 17.501 2.128 0.284 0.602 0.857 0.619 CB 1.480 22 residues pruned to eliminate duplicates Z: 15 20.921 1.912 0.361 0.896 1.000 0.857 CB 1.539 15 residues pruned to eliminate duplicates Z: 26 39.167 2.167 0.723 0.910 1.000 0.880 CB 1.488 26 residues pruned to eliminate duplicates Z: 16 20.270 1.886 0.460 0.820 0.933 0.800 CB 1.542 16 residues pruned to eliminate duplicates Z: 16 7.020 1.802 0.392 0.416 0.800 0.533 CB 0.987 16 residues pruned to eliminate duplicates Z: 13 19.217 1.934 0.559 0.857 0.917 0.750 CA 1.479 13 residues pruned to eliminate duplicates Z: 11 16.475 2.155 0.715 0.861 0.900 0.700 CB 1.151 11 residues pruned to eliminate duplicates Z: 14 19.554 2.020 0.440 0.870 1.000 0.692 CB 1.360 14 residues pruned to eliminate duplicates Z: 15 19.517 1.847 0.774 0.878 0.929 0.643 CB 1.244 14 residues pruned to eliminate duplicates Z: 9 18.026 2.141 0.411 0.804 1.000 0.500 CB 1.617 9 residues pruned to eliminate duplicates Z: 15 24.062 1.903 0.484 0.913 1.000 0.929 CA 1.611 15 residues pruned to eliminate duplicates Z: 7 4.668 1.678 0.641 0.305 0.667 0.500 CB 1.290 7 residues pruned to eliminate duplicates Z: 15 20.310 1.841 0.595 0.930 1.000 0.929 CB 1.293 15 residues pruned to eliminate duplicates Z: 28 27.401 2.163 0.609 0.637 0.926 0.667 CB 1.440 28 residues pruned to eliminate duplicates Z: 9 11.655 1.826 0.326 0.800 0.875 0.750 O 1.496 9 residues pruned to eliminate duplicates Z: 30 25.077 2.068 0.731 0.590 0.897 0.586 CB 1.330 30 residues pruned to eliminate duplicates Z: 17 26.223 1.977 0.638 0.867 1.000 0.812 CA 1.481 17 residues pruned to eliminate duplicates Z: 10 16.230 1.915 0.356 0.854 0.889 0.556 CB 1.732 10 residues pruned to eliminate duplicates Z: 11 17.678 2.158 0.272 0.858 1.000 0.900 CB 1.499 11 residues pruned to eliminate duplicates Z: 10 4.835 1.442 0.398 0.564 0.778 0.778 CB 0.966 Z: 14 11.362 1.953 0.305 0.507 0.923 0.615 CB 1.330 13 residues pruned to eliminate duplicates Z: 7 3.791 1.771 -0.212 0.627 1.000 0.833 CB 0.984 Z: 9 11.785 1.876 0.105 0.902 1.000 0.875 O 1.434 9 residues pruned to eliminate duplicates Z: 15 28.180 2.168 0.418 0.898 1.000 0.929 CB 1.752 13 residues pruned to eliminate duplicates Z: 11 24.091 2.205 0.649 0.884 1.000 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 15 11.228 1.685 0.366 0.875 1.000 0.500 CB 0.948 Z: 20 22.694 2.079 0.210 0.900 1.000 0.895 CB 1.478 20 residues pruned to eliminate duplicates Z: 21 20.924 2.052 0.621 0.709 0.900 0.600 CB 1.292 21 residues pruned to eliminate duplicates Z: 8 7.756 1.573 0.504 0.792 0.857 0.714 N 1.119 Z: 17 12.618 2.070 0.297 0.491 1.000 0.375 CB 1.186 17 residues pruned to eliminate duplicates Z: 13 12.368 1.961 0.449 0.519 0.917 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 20 31.935 1.951 0.953 0.913 0.947 0.316 CB 1.436 20 residues pruned to eliminate duplicates Z: 9 15.210 1.932 0.266 0.842 1.000 0.750 N 1.638 9 residues pruned to eliminate duplicates Z: 31 20.877 2.202 0.343 0.504 0.867 0.600 CB 1.481 31 residues pruned to eliminate duplicates Z: 10 14.386 1.981 0.460 0.887 0.889 0.889 CB 1.344 9 residues pruned to eliminate duplicates Z: 8 14.116 1.673 0.957 0.645 1.000 0.714 C 1.424 12 residues pruned to eliminate duplicates Z: 8 9.915 1.726 0.795 0.740 0.857 0.429 CB 1.138 Z: 25 32.309 2.002 0.513 0.914 1.000 0.833 CA 1.541 25 residues pruned to eliminate duplicates Z: 9 10.140 1.778 0.375 0.782 1.000 0.500 CB 1.144 Z: 15 24.137 1.961 0.449 0.891 1.000 0.857 CB 1.633 15 residues pruned to eliminate duplicates Z: 7 4.616 1.804 0.690 0.383 0.500 0.333 CA 1.400 Z: 13 25.173 2.181 0.639 0.828 0.917 0.500 CB 1.670 13 residues pruned to eliminate duplicates Z: 11 10.347 2.128 0.373 0.397 0.800 0.600 CB 1.560 21 residues pruned to eliminate duplicates Z: 20 10.921 1.977 0.453 0.357 0.737 0.632 CB 1.381 20 residues pruned to eliminate duplicates Z: 11 8.837 1.711 0.641 0.517 1.000 0.600 CB 0.979 10 residues pruned to eliminate duplicates Z: 14 12.636 1.652 0.778 0.923 0.923 0.538 CB 0.908 10 residues pruned to eliminate duplicates Z: 12 23.855 2.227 0.554 0.798 0.909 0.545 CB 1.762 12 residues pruned to eliminate duplicates Z: 11 21.887 2.280 0.338 0.910 1.000 0.800 CB 1.608 11 residues pruned to eliminate duplicates Z: 21 22.800 2.089 0.406 0.898 0.850 0.800 CB 1.460 21 residues pruned to eliminate duplicates Z: 25 20.799 1.961 0.537 0.566 0.917 0.583 CB 1.441 25 residues pruned to eliminate duplicates Z: 13 18.496 1.723 0.647 0.876 1.000 0.667 CB 1.366 13 residues pruned to eliminate duplicates Z: 21 27.255 2.327 0.775 0.551 0.850 0.650 CB 1.652 21 residues pruned to eliminate duplicates Z: 11 14.286 2.006 0.742 0.797 0.800 0.300 CB 1.245 11 residues pruned to eliminate duplicates Z: 15 18.815 1.834 0.493 0.899 1.000 0.857 CB 1.312 15 residues pruned to eliminate duplicates Z: 18 8.487 1.814 0.251 0.415 0.824 0.412 CB 1.204 18 residues pruned to eliminate duplicates Z: 25 24.989 1.998 0.261 0.913 1.000 0.792 CB 1.432 25 residues pruned to eliminate duplicates Z: 8 7.601 1.371 0.592 0.887 1.000 0.857 CB 0.949 5 residues pruned to eliminate duplicates Z: 18 11.633 1.758 0.732 0.815 0.765 0.412 CB 0.922 18 residues pruned to eliminate duplicates Z: 10 15.669 1.761 0.577 0.848 1.000 0.889 CA 1.395 10 residues pruned to eliminate duplicates Z: 12 23.629 2.236 0.506 0.892 1.000 0.909 CB 1.520 12 residues pruned to eliminate duplicates Z: 7 9.913 1.828 0.628 0.688 0.833 0.833 CB 1.373 7 residues pruned to eliminate duplicates Z: 25 12.523 1.825 0.534 0.426 0.833 0.333 CB 1.184 25 residues pruned to eliminate duplicates Z: 13 18.537 2.093 0.366 0.813 1.000 0.667 CB 1.426 13 residues pruned to eliminate duplicates Z: 10 6.899 1.741 0.998 0.287 0.778 0.444 N 1.080 Z: 7 13.272 1.873 0.510 0.875 1.000 0.833 CB 1.394 9 residues pruned to eliminate duplicates Z: 15 18.315 2.020 0.602 0.829 0.786 0.429 CA 1.448 15 residues pruned to eliminate duplicates Z: 13 7.248 1.957 0.051 0.472 0.833 0.583 CB 1.256 13 residues pruned to eliminate duplicates Z: 23 31.446 2.054 0.682 0.909 0.955 0.818 CB 1.444 23 residues pruned to eliminate duplicates Z: 41 34.368 2.066 0.580 0.740 0.925 0.650 CB 1.451 36 residues pruned to eliminate duplicates Z: 6 5.119 1.467 0.069 0.768 1.000 0.600 CB 1.151 6 residues pruned to eliminate duplicates Z: 7 4.241 1.579 0.462 0.397 1.000 0.333 CB 0.836 Z: 8 3.271 1.549 0.127 0.403 0.857 0.429 CB 0.915 Z: 37 27.220 1.991 0.545 0.710 0.889 0.528 CB 1.371 37 residues pruned to eliminate duplicates Z: 25 31.858 2.161 0.546 0.677 1.000 0.792 CB 1.654 25 residues pruned to eliminate duplicates Z: 8 10.504 1.831 0.704 0.521 0.857 0.857 CB 1.454 8 residues pruned to eliminate duplicates Z: 22 28.415 2.067 0.521 0.908 0.952 0.857 CB 1.471 22 residues pruned to eliminate duplicates Z: 14 27.794 2.050 0.741 0.909 0.923 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 16 22.555 2.093 0.372 0.880 1.000 0.933 CB 1.470 16 residues pruned to eliminate duplicates Z: 19 20.788 1.987 0.783 0.644 0.889 0.889 CB 1.360 28 residues pruned to eliminate duplicates Z: 11 14.144 2.004 0.562 0.851 0.900 0.700 CA 1.175 11 residues pruned to eliminate duplicates Z: 37 30.350 2.046 0.628 0.704 0.889 0.639 CB 1.418 37 residues pruned to eliminate duplicates Z: 9 12.793 1.958 0.497 0.773 1.000 0.750 CB 1.212 9 residues pruned to eliminate duplicates Z: 11 12.373 1.943 0.321 0.831 1.000 0.700 CB 1.145 10 residues pruned to eliminate duplicates Z: 45 29.403 1.906 0.556 0.639 0.932 0.750 CB 1.408 48 residues pruned to eliminate duplicates Z: 8 13.045 1.798 0.490 0.812 1.000 0.857 CB 1.403 7 residues pruned to eliminate duplicates Z: 13 19.596 1.938 0.431 0.901 1.000 0.750 CA 1.456 13 residues pruned to eliminate duplicates Z: 8 8.968 1.853 0.537 0.742 0.714 0.429 CB 1.341 8 residues pruned to eliminate duplicates Z: 14 20.688 2.172 0.343 0.866 0.846 0.769 CA 1.702 14 residues pruned to eliminate duplicates Z: 15 17.465 1.902 0.202 0.918 1.000 0.929 CB 1.441 15 residues pruned to eliminate duplicates Z: 13 10.582 1.638 0.482 0.789 0.917 0.667 CB 1.065 13 residues pruned to eliminate duplicates Z: 32 13.217 1.779 0.516 0.376 0.871 0.484 CB 1.154 35 residues pruned to eliminate duplicates Z: 10 18.261 2.096 0.444 0.828 1.000 0.778 CA 1.514 10 residues pruned to eliminate duplicates Z: 10 16.343 2.139 0.898 0.459 0.889 0.667 CB 1.574 10 residues pruned to eliminate duplicates Z: 22 35.781 2.127 0.831 0.888 0.952 0.714 CB 1.516 22 residues pruned to eliminate duplicates Z: 32 36.212 2.186 1.018 0.588 0.839 0.548 CB 1.616 41 residues pruned to eliminate duplicates Z: 7 3.432 1.717 0.104 0.612 1.000 0.667 CB 0.665 Z: 10 4.734 1.841 -0.054 0.574 1.000 0.778 CB 0.844 10 residues pruned to eliminate duplicates Z: 21 34.469 2.122 0.763 0.932 0.950 0.750 CB 1.515 21 residues pruned to eliminate duplicates Z: 7 6.404 1.784 0.319 0.497 0.833 0.667 CA 1.337 8 residues pruned to eliminate duplicates Z: 13 7.262 1.765 0.478 0.538 0.917 0.583 CB 0.845 Z: 10 6.198 1.696 0.412 0.370 0.667 0.556 CB 1.487 Z: 21 17.581 1.964 0.712 0.540 0.900 0.650 CB 1.250 9 residues pruned to eliminate duplicates Z: 12 23.096 1.873 0.776 0.908 1.000 0.727 CA 1.487 12 residues pruned to eliminate duplicates Z: 18 12.875 1.630 0.286 0.911 0.941 0.529 CB 1.122 18 residues pruned to eliminate duplicates Z: 33 24.824 1.934 0.669 0.580 0.938 0.594 CB 1.342 33 residues pruned to eliminate duplicates Z: 63 28.412 1.907 0.439 0.543 0.919 0.661 CB 1.372 57 residues pruned to eliminate duplicates Z: 6 4.094 1.708 0.278 0.529 0.800 0.400 CB 1.019 6 residues pruned to eliminate duplicates Z: 8 12.344 2.051 0.250 0.875 0.857 0.571 CB 1.543 8 residues pruned to eliminate duplicates Z: 43 33.342 2.100 0.521 0.653 0.905 0.690 CB 1.543 42 residues pruned to eliminate duplicates Z: 11 20.183 1.914 0.817 0.884 1.000 0.800 CB 1.326 11 residues pruned to eliminate duplicates Z: 9 12.577 2.103 0.385 0.431 1.000 0.750 CB 1.640 10 residues pruned to eliminate duplicates Z: 14 14.649 1.828 0.317 0.860 1.000 0.846 CB 1.241 14 residues pruned to eliminate duplicates Z: 7 5.033 1.719 0.386 0.762 0.833 0.500 CB 0.820 7 residues pruned to eliminate duplicates Z: 29 29.891 2.038 0.789 0.918 0.893 0.393 CB 1.224 29 residues pruned to eliminate duplicates Z: 30 45.969 2.114 0.979 0.942 0.966 0.448 CB 1.465 30 residues pruned to eliminate duplicates Z: 10 18.437 1.991 0.763 0.911 1.000 0.444 CB 1.240 10 residues pruned to eliminate duplicates Z: 28 32.762 1.898 0.703 0.932 1.000 0.852 CB 1.362 28 residues pruned to eliminate duplicates Z: 15 9.108 1.651 0.368 0.487 0.929 0.571 CB 1.176 7 residues pruned to eliminate duplicates Z: 40 38.517 2.059 0.649 0.714 0.974 0.615 CB 1.536 41 residues pruned to eliminate duplicates Z: 12 20.636 2.127 0.509 0.908 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 8 5.327 1.492 0.219 0.426 1.000 0.286 N 1.196 Z: 7 6.199 1.567 0.378 0.869 1.000 0.667 O 0.856 7 residues pruned to eliminate duplicates Z: 30 14.942 2.013 0.298 0.396 0.828 0.552 CB 1.432 30 residues pruned to eliminate duplicates Z: 19 22.076 1.889 0.553 0.925 0.944 0.722 CB 1.319 19 residues pruned to eliminate duplicates Z: 13 15.765 1.760 0.693 0.876 0.917 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 20 36.294 2.040 0.870 0.914 1.000 0.632 CB 1.543 21 residues pruned to eliminate duplicates Z: 10 9.167 1.645 0.500 0.865 1.000 0.667 CB 0.907 9 residues pruned to eliminate duplicates Z: 7 8.804 2.044 0.834 0.415 0.833 0.333 CB 1.257 Z: 11 9.355 1.748 0.300 0.891 1.000 0.900 CB 0.936 11 residues pruned to eliminate duplicates Z: 7 10.660 2.109 0.340 0.530 1.000 0.667 CA 1.496 7 residues pruned to eliminate duplicates Z: 21 23.214 1.815 0.734 0.883 0.950 0.550 CB 1.256 19 residues pruned to eliminate duplicates Z: 31 44.070 2.091 0.757 0.933 1.000 0.833 CB 1.528 31 residues pruned to eliminate duplicates Z: 7 3.172 1.532 0.848 0.324 0.667 0.333 CA 0.833 Z: 56 35.874 2.105 0.470 0.655 0.927 0.636 CB 1.460 56 residues pruned to eliminate duplicates Z: 41 31.020 1.987 0.573 0.650 0.925 0.675 CB 1.475 41 residues pruned to eliminate duplicates Z: 16 27.837 2.063 0.595 0.897 1.000 0.933 CA 1.564 16 residues pruned to eliminate duplicates Z: 43 54.942 2.204 0.943 0.845 0.929 0.690 CB 1.584 43 residues pruned to eliminate duplicates Z: 7 19.303 2.168 0.359 0.897 1.000 0.833 CB 1.914 7 residues pruned to eliminate duplicates Z: 30 43.064 2.241 0.614 0.916 1.000 0.897 CA 1.561 30 residues pruned to eliminate duplicates Z: 13 8.290 1.644 0.200 0.881 1.000 1.000 CB 0.878 13 residues pruned to eliminate duplicates Z: 19 26.181 2.006 0.757 0.887 0.944 0.667 CB 1.337 19 residues pruned to eliminate duplicates Z: 7 16.385 1.931 0.858 0.846 1.000 1.000 CB 1.385 14 residues pruned to eliminate duplicates Z: 21 8.207 1.900 0.419 0.354 0.700 0.300 CB 1.138 21 residues pruned to eliminate duplicates 6 1.407 1.543 0.198 0.292 0.600 0.400 N 0.717 ? Z: 7 6.987 1.795 0.091 0.744 0.833 0.667 CB 1.404 8 residues pruned to eliminate duplicates Z: 15 16.601 1.864 0.622 0.820 0.929 0.714 CB 1.198 15 residues pruned to eliminate duplicates Z: 7 9.226 1.604 0.396 0.843 1.000 1.000 CB 1.253 Z: 28 31.460 2.167 0.719 0.655 0.963 0.481 CB 1.462 28 residues pruned to eliminate duplicates Z: 7 2.430 1.554 -0.037 0.411 0.667 0.667 CB 1.092 7 residues pruned to eliminate duplicates Z: 6 5.386 1.480 0.240 0.758 1.000 0.400 CA 1.043 Z: 8 9.397 1.960 0.496 0.529 0.857 0.714 CA 1.374 8 residues pruned to eliminate duplicates Z: 8 11.829 1.768 0.454 0.816 1.000 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 12 17.549 2.008 0.391 0.808 1.000 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 26 34.218 1.997 0.828 0.925 1.000 0.720 CB 1.315 26 residues pruned to eliminate duplicates Z: 22 26.811 2.065 0.665 0.806 0.905 0.762 CA 1.440 22 residues pruned to eliminate duplicates Z: 7 4.272 1.475 0.057 0.542 1.000 0.333 CB 1.074 Z: 8 3.230 1.820 0.035 0.301 0.857 0.714 CB 0.944 Z: 31 32.721 2.261 0.785 0.646 0.867 0.767 CB 1.491 38 residues pruned to eliminate duplicates Z: 8 4.654 1.803 0.246 0.566 0.571 0.429 CA 1.285 Z: 9 13.685 1.908 0.543 0.836 0.875 0.375 CB 1.406 9 residues pruned to eliminate duplicates Z: 16 7.913 1.913 0.194 0.602 0.800 0.600 CB 1.014 16 residues pruned to eliminate duplicates Z: 20 23.223 2.046 0.176 0.929 1.000 1.000 CB 1.550 20 residues pruned to eliminate duplicates Z: 18 11.300 1.668 0.323 0.901 1.000 0.941 CB 0.886 18 residues pruned to eliminate duplicates Z: 9 14.665 1.964 0.782 0.846 0.750 0.625 N 1.468 9 residues pruned to eliminate duplicates Z: 6 2.318 1.347 -0.150 0.609 1.000 0.800 CB 0.816 Z: 7 7.143 1.813 0.645 0.595 1.000 0.667 CB 0.893 Z: 6 3.617 1.563 0.152 0.793 0.800 0.600 CA 0.869 6 residues pruned to eliminate duplicates Z: 26 32.358 1.957 0.890 0.916 1.000 0.760 CB 1.236 26 residues pruned to eliminate duplicates Z: 22 29.523 2.009 0.797 0.714 0.952 0.762 CB 1.544 22 residues pruned to eliminate duplicates Z: 12 13.509 1.742 0.399 0.816 0.909 0.636 CB 1.397 12 residues pruned to eliminate duplicates 6 1.167 1.520 0.923 0.280 0.600 0.400 CB 0.382 ? Z: 26 34.341 2.099 0.572 0.904 1.000 0.840 CA 1.482 26 residues pruned to eliminate duplicates Z: 13 24.118 2.097 0.447 0.905 1.000 1.000 CB 1.633 13 residues pruned to eliminate duplicates Z: 6 6.051 1.728 0.303 0.817 1.000 0.600 CB 0.913 6 residues pruned to eliminate duplicates Z: 17 10.054 1.743 0.557 0.325 0.875 0.500 CB 1.283 12 residues pruned to eliminate duplicates Z: 25 32.418 2.004 0.595 0.927 1.000 0.875 CB 1.452 25 residues pruned to eliminate duplicates Z: 18 26.919 2.144 0.598 0.809 0.941 0.941 CA 1.546 18 residues pruned to eliminate duplicates Z: 38 53.176 2.295 0.764 0.831 0.973 0.919 CB 1.667 38 residues pruned to eliminate duplicates Z: 17 18.620 2.218 0.674 0.767 0.812 0.375 CB 1.218 17 residues pruned to eliminate duplicates Z: 10 14.604 2.218 0.291 0.805 0.778 0.333 CB 1.675 10 residues pruned to eliminate duplicates Z: 9 16.952 1.792 0.622 0.877 1.000 0.625 CA 1.497 8 residues pruned to eliminate duplicates Z: 6 2.052 1.525 0.153 0.695 1.000 0.800 CB 0.437 Z: 22 29.254 2.091 0.504 0.897 0.952 0.810 CB 1.526 22 residues pruned to eliminate duplicates Z: 14 11.287 1.889 0.593 0.522 0.846 0.385 N 1.203 14 residues pruned to eliminate duplicates Z: 20 24.780 2.003 0.510 0.868 0.947 0.789 CB 1.451 20 residues pruned to eliminate duplicates Z: 13 11.171 1.776 0.572 0.359 0.917 0.417 CB 1.467 13 residues pruned to eliminate duplicates Z: 31 37.248 2.258 0.854 0.668 0.933 0.700 CB 1.490 31 residues pruned to eliminate duplicates Z: 14 11.006 1.820 0.431 0.513 0.846 0.538 CB 1.367 11 residues pruned to eliminate duplicates Z: 16 23.156 1.950 0.666 0.840 0.933 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 12 12.141 1.872 0.297 0.867 0.909 0.818 CB 1.213 12 residues pruned to eliminate duplicates Z: 6 3.107 1.542 -0.218 0.613 1.000 0.600 O 1.037 Z: 14 26.086 2.060 0.760 0.875 1.000 0.846 CB 1.452 14 residues pruned to eliminate duplicates Z: 11 18.180 1.981 0.364 0.885 1.000 0.900 CA 1.536 11 residues pruned to eliminate duplicates Z: 13 3.129 1.649 0.044 0.240 0.667 0.333 CB 1.064 Z: 23 36.892 2.083 0.897 0.890 0.955 0.545 CB 1.500 23 residues pruned to eliminate duplicates Z: 30 41.438 2.321 0.966 0.673 0.931 0.517 CB 1.544 30 residues pruned to eliminate duplicates Z: 13 18.224 1.937 0.401 0.913 1.000 0.917 CB 1.372 13 residues pruned to eliminate duplicates Z: 14 18.809 1.864 0.502 0.902 1.000 0.692 CB 1.329 14 residues pruned to eliminate duplicates Z: 10 18.913 1.988 0.643 0.848 1.000 0.667 CA 1.432 10 residues pruned to eliminate duplicates Z: 15 6.268 1.681 0.285 0.356 0.857 0.429 CB 1.057 8 residues pruned to eliminate duplicates Z: 16 11.358 1.719 0.206 0.929 1.000 1.000 CB 0.989 16 residues pruned to eliminate duplicates Z: 37 29.290 2.020 0.602 0.680 0.889 0.528 CB 1.438 37 residues pruned to eliminate duplicates Z: 12 10.590 1.705 0.380 0.879 1.000 0.727 CB 0.984 12 residues pruned to eliminate duplicates Z: 6 10.543 1.926 0.693 0.723 1.000 0.800 CA 1.183 6 residues pruned to eliminate duplicates Z: 27 30.918 1.952 0.653 0.874 1.000 0.731 CB 1.368 27 residues pruned to eliminate duplicates Z: 9 6.160 1.603 0.688 0.274 1.000 0.500 CA 1.039 9 residues pruned to eliminate duplicates Z: 16 24.473 2.055 0.603 0.815 0.933 0.600 CA 1.562 16 residues pruned to eliminate duplicates Z: 18 23.551 1.963 0.673 0.774 0.941 0.706 CA 1.450 18 residues pruned to eliminate duplicates Z: 12 15.440 1.824 0.577 0.828 0.909 0.636 CB 1.341 12 residues pruned to eliminate duplicates Z: 15 25.649 1.994 0.485 0.881 1.000 0.857 CA 1.675 15 residues pruned to eliminate duplicates Z: 10 6.615 1.926 0.115 0.481 1.000 0.556 CB 1.048 9 residues pruned to eliminate duplicates Z: 31 38.006 2.081 0.708 0.895 0.967 0.600 CB 1.448 31 residues pruned to eliminate duplicates Z: 16 13.539 1.894 0.013 0.920 1.000 0.800 CB 1.283 16 residues pruned to eliminate duplicates Z: 14 9.369 1.688 0.537 0.443 0.846 0.538 CA 1.255 14 residues pruned to eliminate duplicates Z: 20 27.639 1.913 1.010 0.915 0.895 0.632 CB 1.302 19 residues pruned to eliminate duplicates Z: 8 3.222 1.796 0.355 0.381 0.571 0.429 CB 0.994 8 residues pruned to eliminate duplicates Z: 20 24.637 1.973 0.623 0.866 0.947 0.632 CB 1.364 20 residues pruned to eliminate duplicates Z: 15 18.578 1.872 0.623 0.870 1.000 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 14 16.042 1.737 0.282 0.853 1.000 0.692 CB 1.476 14 residues pruned to eliminate duplicates Z: 12 17.848 1.775 0.664 0.903 0.909 0.909 CB 1.429 12 residues pruned to eliminate duplicates Z: 23 44.500 2.207 1.021 0.893 1.000 0.727 CB 1.527 23 residues pruned to eliminate duplicates Z: 6 4.905 1.413 0.517 0.815 0.800 0.600 O 0.973 6 residues pruned to eliminate duplicates Z: 28 35.381 1.973 0.947 0.888 1.000 0.778 CB 1.277 28 residues pruned to eliminate duplicates Z: 17 25.344 1.937 0.877 0.761 0.938 0.750 CB 1.473 17 residues pruned to eliminate duplicates Z: 21 19.703 1.885 0.515 0.589 0.950 0.550 CB 1.491 21 residues pruned to eliminate duplicates Z: 7 7.855 1.774 0.421 0.516 1.000 0.500 CA 1.251 Z: 9 8.701 1.511 0.531 0.764 1.000 0.625 CB 1.052 9 residues pruned to eliminate duplicates Z: 6 4.545 1.875 0.305 0.688 1.000 0.600 CB 0.699 6 residues pruned to eliminate duplicates Z: 7 6.647 1.491 0.528 0.817 0.833 0.667 CB 1.085 5 residues pruned to eliminate duplicates Z: 7 7.144 1.763 0.453 0.878 1.000 1.000 CB 0.826 7 residues pruned to eliminate duplicates Z: 14 4.154 1.491 0.472 0.350 0.692 0.615 CB 0.892 Z: 14 16.600 1.914 0.599 0.680 0.923 0.462 CB 1.381 16 residues pruned to eliminate duplicates Z: 15 19.437 1.879 0.491 0.871 0.929 0.714 CB 1.457 15 residues pruned to eliminate duplicates Z: 7 3.231 1.414 0.068 0.567 1.000 0.667 CB 0.818 Z: 10 7.592 1.656 0.243 0.776 1.000 0.556 CB 0.963 10 residues pruned to eliminate duplicates Z: 23 12.821 1.813 0.387 0.580 0.864 0.682 CB 1.165 23 residues pruned to eliminate duplicates Z: 16 22.926 1.972 0.483 0.841 0.933 0.667 N 1.618 16 residues pruned to eliminate duplicates Z: 7 12.167 2.127 0.371 0.745 0.833 0.333 CB 1.643 7 residues pruned to eliminate duplicates Z: 13 15.468 1.793 0.426 0.877 1.000 1.000 CB 1.268 13 residues pruned to eliminate duplicates Z: 15 19.347 2.089 0.249 0.910 0.929 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 9 11.995 1.714 0.612 0.791 0.875 0.375 CB 1.359 8 residues pruned to eliminate duplicates Z: 8 6.423 1.769 0.134 0.570 1.000 0.857 CB 1.131 7 residues pruned to eliminate duplicates Z: 17 20.572 1.881 0.406 0.863 0.938 0.750 CA 1.521 17 residues pruned to eliminate duplicates Z: 42 27.845 2.069 0.595 0.563 0.902 0.488 CB 1.373 41 residues pruned to eliminate duplicates Z: 16 22.854 2.062 0.379 0.863 1.000 0.933 CA 1.523 16 residues pruned to eliminate duplicates Z: 11 11.300 1.908 -0.010 0.715 1.000 0.900 CA 1.558 11 residues pruned to eliminate duplicates Z: 9 10.197 1.711 0.644 0.783 0.875 0.750 CB 1.142 9 residues pruned to eliminate duplicates Z: 14 7.978 1.675 0.194 0.498 0.923 0.615 CB 1.201 14 residues pruned to eliminate duplicates Z: 9 9.467 1.810 0.649 0.592 1.000 0.750 CB 1.027 9 residues pruned to eliminate duplicates 7 1.576 1.300 0.186 0.492 0.833 0.333 CB 0.505 ? Z: 7 3.616 1.623 -0.158 0.671 0.833 0.500 CB 1.108 Z: 6 2.410 1.402 0.544 0.286 0.800 0.400 CB 0.792 Z: 6 5.483 1.463 0.953 0.552 0.800 0.400 CB 1.020 Z: 23 20.610 1.812 0.374 0.909 1.000 0.818 CB 1.253 23 residues pruned to eliminate duplicates Z: 11 24.751 2.114 1.016 0.719 0.900 0.700 CB 1.674 11 residues pruned to eliminate duplicates Z: 6 5.362 1.327 0.943 0.554 1.000 0.800 CA 0.882 Z: 9 8.437 1.795 0.641 0.630 1.000 0.625 CB 0.896 Z: 11 13.176 1.896 0.711 0.624 0.900 0.700 CB 1.271 11 residues pruned to eliminate duplicates Z: 6 4.990 1.543 0.828 0.345 0.800 0.600 CA 1.171 Z: 12 20.036 1.990 0.666 0.906 0.909 0.636 CB 1.426 12 residues pruned to eliminate duplicates Z: 31 43.138 2.128 0.657 0.932 1.000 0.833 CB 1.560 31 residues pruned to eliminate duplicates Z: 18 33.962 2.149 0.884 0.828 0.941 0.412 CB 1.628 18 residues pruned to eliminate duplicates Z: 20 16.709 1.779 0.818 0.640 0.789 0.579 CB 1.317 20 residues pruned to eliminate duplicates Z: 11 13.169 1.836 0.389 0.879 1.000 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 21 31.324 2.019 0.937 0.895 0.950 0.600 CB 1.352 21 residues pruned to eliminate duplicates Z: 35 25.254 2.007 0.594 0.584 0.912 0.647 CB 1.369 33 residues pruned to eliminate duplicates Z: 31 24.178 2.109 0.532 0.544 0.867 0.633 CB 1.510 31 residues pruned to eliminate duplicates Z: 16 22.270 1.846 0.557 0.845 1.000 0.667 CB 1.487 15 residues pruned to eliminate duplicates Z: 9 5.695 1.948 0.373 0.253 0.750 0.375 CB 1.333 9 residues pruned to eliminate duplicates Z: 9 4.417 1.870 0.244 0.398 0.750 0.500 CB 0.997 8 residues pruned to eliminate duplicates Z: 7 14.026 1.897 0.603 0.846 1.000 0.833 CB 1.399 7 residues pruned to eliminate duplicates Z: 36 20.243 1.897 0.283 0.620 0.886 0.686 CB 1.417 36 residues pruned to eliminate duplicates Z: 12 8.019 1.616 0.097 0.841 0.909 0.727 CB 1.119 7 residues pruned to eliminate duplicates Z: 15 3.585 1.447 0.320 0.275 0.643 0.286 CB 1.007 10 residues pruned to eliminate duplicates Z: 12 24.507 1.870 0.987 0.906 1.000 0.636 CB 1.414 13 residues pruned to eliminate duplicates Z: 6 3.383 1.664 0.001 0.333 0.800 0.800 CA 1.361 Z: 14 14.025 1.962 0.630 0.565 0.769 0.615 CB 1.484 14 residues pruned to eliminate duplicates Z: 6 2.231 1.440 0.352 0.345 0.600 0.600 N 1.010 Z: 11 6.811 1.689 0.336 0.382 0.800 0.500 CB 1.352 7 residues pruned to eliminate duplicates Z: 6 6.536 1.795 0.707 0.724 1.000 0.800 CB 0.780 Z: 13 5.668 1.791 0.324 0.526 0.833 0.500 CB 0.807 13 residues pruned to eliminate duplicates Z: 15 19.584 1.903 0.363 0.920 1.000 0.857 CB 1.421 15 residues pruned to eliminate duplicates Z: 14 28.393 2.204 0.523 0.892 1.000 0.923 CB 1.685 14 residues pruned to eliminate duplicates Z: 14 43.934 2.199 1.538 0.911 1.000 0.692 CA 1.547 14 residues pruned to eliminate duplicates Z: 12 5.291 1.761 0.196 0.395 0.818 0.455 CB 1.034 12 residues pruned to eliminate duplicates Z: 12 34.513 2.481 0.493 0.912 1.000 0.909 CA 1.990 12 residues pruned to eliminate duplicates Z: 16 16.020 1.833 0.417 0.862 0.933 0.800 CB 1.253 16 residues pruned to eliminate duplicates Z: 13 21.651 2.085 0.650 0.856 0.917 0.417 CB 1.461 13 residues pruned to eliminate duplicates Z: 18 16.058 1.791 0.341 0.901 0.882 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 16 27.812 2.100 0.742 0.886 0.933 0.400 CA 1.518 16 residues pruned to eliminate duplicates Z: 32 27.678 2.184 0.575 0.533 0.903 0.613 CB 1.549 32 residues pruned to eliminate duplicates Z: 6 6.289 1.471 0.526 0.798 1.000 0.800 N 0.964 6 residues pruned to eliminate duplicates Z: 23 15.597 1.654 0.170 0.899 0.955 0.864 CB 1.287 23 residues pruned to eliminate duplicates Z: 16 23.763 1.884 0.609 0.893 1.000 0.800 CA 1.453 16 residues pruned to eliminate duplicates Z: 6 3.057 1.357 0.412 0.324 0.800 0.600 N 1.082 Z: 16 24.490 2.054 0.496 0.871 0.933 0.733 CA 1.609 16 residues pruned to eliminate duplicates Z: 26 18.674 2.104 0.520 0.377 0.920 0.640 CB 1.447 26 residues pruned to eliminate duplicates Z: 15 18.027 1.896 0.191 0.903 1.000 0.929 CB 1.521 15 residues pruned to eliminate duplicates Z: 12 19.557 1.994 0.448 0.869 1.000 0.818 CB 1.492 13 residues pruned to eliminate duplicates Z: 15 12.878 1.761 0.602 0.601 0.929 0.643 CB 1.193 15 residues pruned to eliminate duplicates Z: 11 29.825 2.404 0.681 0.865 1.000 0.700 CB 1.710 11 residues pruned to eliminate duplicates Z: 16 6.623 1.802 0.189 0.488 0.800 0.467 CB 1.009 6 residues pruned to eliminate duplicates Z: 16 23.445 2.003 0.782 0.811 0.867 0.600 CB 1.492 16 residues pruned to eliminate duplicates Z: 57 34.104 2.080 0.412 0.693 0.929 0.696 CB 1.401 60 residues pruned to eliminate duplicates Z: 26 35.514 2.006 1.006 0.904 0.960 0.520 CB 1.310 26 residues pruned to eliminate duplicates Z: 12 13.064 1.914 0.700 0.468 0.909 0.545 CA 1.376 12 residues pruned to eliminate duplicates Z: 8 14.041 1.949 0.239 0.886 1.000 0.857 CB 1.586 8 residues pruned to eliminate duplicates Z: 21 12.328 2.100 0.020 0.554 0.900 0.600 CB 1.357 21 residues pruned to eliminate duplicates Z: 7 5.455 2.028 0.188 0.511 0.833 0.667 CB 1.098 7 residues pruned to eliminate duplicates Z: 8 2.089 1.207 0.674 0.103 0.857 0.286 N 0.755 3 residues pruned to eliminate duplicates Z: 10 5.791 1.802 0.178 0.484 0.667 0.444 CB 1.386 Z: 11 23.138 2.159 0.930 0.909 0.900 0.300 CB 1.385 11 residues pruned to eliminate duplicates Z: 18 6.841 1.514 0.290 0.421 0.824 0.353 CB 1.120 13 residues pruned to eliminate duplicates Z: 6 5.804 1.974 0.666 0.441 1.000 0.600 CB 0.838 4 residues pruned to eliminate duplicates Z: 7 5.647 1.633 0.446 0.524 0.667 0.500 CB 1.431 7 residues pruned to eliminate duplicates Z: 14 6.555 1.488 0.098 0.709 0.923 0.615 CB 0.997 14 residues pruned to eliminate duplicates Z: 6 4.706 1.651 0.166 0.834 1.000 1.000 CB 0.820 6 residues pruned to eliminate duplicates Z: 17 26.265 1.969 0.758 0.874 0.875 0.438 CB 1.578 17 residues pruned to eliminate duplicates Z: 11 18.742 1.978 0.798 0.864 0.900 0.400 CB 1.358 11 residues pruned to eliminate duplicates Z: 19 17.565 1.792 0.565 0.750 0.833 0.667 CA 1.417 19 residues pruned to eliminate duplicates Z: 29 15.382 2.075 0.478 0.377 0.821 0.464 CB 1.317 29 residues pruned to eliminate duplicates Z: 6 3.457 1.559 0.077 0.748 0.800 0.600 CB 0.922 6 residues pruned to eliminate duplicates Z: 7 14.331 2.056 0.517 0.761 1.000 0.833 CB 1.488 7 residues pruned to eliminate duplicates Z: 12 9.184 1.817 0.326 0.577 0.818 0.636 CA 1.304 12 residues pruned to eliminate duplicates Z: 13 15.439 1.781 0.440 0.881 0.917 0.917 CB 1.372 12 residues pruned to eliminate duplicates Z: 6 5.369 1.783 0.746 0.613 1.000 0.400 CB 0.693 6 residues pruned to eliminate duplicates Z: 31 25.033 2.022 0.886 0.892 0.733 0.267 CB 1.175 31 residues pruned to eliminate duplicates Z: 19 15.632 1.892 0.365 0.625 0.889 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 6 7.436 1.736 0.235 0.563 1.000 0.600 CB 1.458 7 residues pruned to eliminate duplicates Z: 8 4.233 1.849 0.566 0.419 0.714 0.571 CB 0.842 8 residues pruned to eliminate duplicates Z: 7 12.181 1.862 0.463 0.857 1.000 0.833 CB 1.345 7 residues pruned to eliminate duplicates Z: 6 6.338 1.767 1.041 0.657 1.000 0.800 CB 0.679 6 residues pruned to eliminate duplicates Z: 7 5.886 1.719 0.344 0.400 0.833 0.833 CB 1.387 7 residues pruned to eliminate duplicates Z: 7 4.218 1.333 0.375 0.517 0.833 0.500 CB 1.109 7 residues pruned to eliminate duplicates Z: 7 19.742 1.910 0.962 0.893 1.000 1.000 CB 1.544 7 residues pruned to eliminate duplicates Z: 14 25.687 2.034 0.491 0.907 1.000 0.846 N 1.669 14 residues pruned to eliminate duplicates Z: 7 3.622 1.624 0.158 0.349 0.833 0.667 CB 1.111 Z: 9 17.884 2.057 0.713 0.867 1.000 0.500 CB 1.312 9 residues pruned to eliminate duplicates Z: 22 16.668 1.784 0.189 0.883 1.000 0.857 CB 1.240 22 residues pruned to eliminate duplicates Z: 12 10.904 1.665 0.404 0.814 0.909 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 6 3.825 1.503 0.374 0.477 1.000 0.800 CB 0.848 Z: 11 4.503 1.488 0.658 0.254 0.800 0.500 N 0.957 Z: 8 5.982 1.752 0.467 0.623 1.000 0.571 CB 0.784 8 residues pruned to eliminate duplicates Z: 9 18.593 2.008 0.760 0.848 1.000 0.500 CA 1.380 9 residues pruned to eliminate duplicates Z: 7 6.236 1.487 0.385 0.875 1.000 0.833 CA 0.899 Z: 13 22.234 1.803 0.924 0.928 1.000 0.500 CB 1.296 13 residues pruned to eliminate duplicates Z: 29 18.899 1.818 0.548 0.483 0.929 0.500 CB 1.390 18 residues pruned to eliminate duplicates Z: 39 23.292 1.958 0.444 0.637 0.868 0.684 CB 1.354 39 residues pruned to eliminate duplicates Z: 9 5.770 1.756 0.437 0.453 0.875 0.250 N 0.969 Z: 27 15.802 2.063 0.340 0.485 0.808 0.654 CB 1.408 27 residues pruned to eliminate duplicates Z: 31 35.168 2.010 1.010 0.914 0.900 0.467 CB 1.249 31 residues pruned to eliminate duplicates Z: 29 31.863 1.963 0.829 0.878 0.964 0.714 CB 1.262 34 residues pruned to eliminate duplicates Z: 8 7.957 2.327 0.199 0.381 0.714 0.429 CB 1.713 8 residues pruned to eliminate duplicates Z: 14 22.092 2.031 0.475 0.878 0.923 0.769 CB 1.608 14 residues pruned to eliminate duplicates Z: 12 5.003 1.643 0.240 0.457 0.818 0.364 CB 0.946 Z: 31 26.573 2.242 0.580 0.509 0.833 0.500 CB 1.629 31 residues pruned to eliminate duplicates Z: 7 3.452 1.509 0.684 0.452 1.000 0.333 CB 0.582 Z: 12 12.484 1.776 0.441 0.922 1.000 0.727 CB 1.034 12 residues pruned to eliminate duplicates Z: 17 15.876 2.029 0.365 0.538 0.875 0.438 CB 1.578 17 residues pruned to eliminate duplicates Z: 29 30.762 1.934 1.044 0.901 0.893 0.429 CB 1.175 29 residues pruned to eliminate duplicates Z: 6 2.687 1.518 0.745 0.317 0.600 0.400 C 0.925 Z: 29 24.248 1.913 0.724 0.585 0.929 0.464 CB 1.379 29 residues pruned to eliminate duplicates Z: 15 18.300 1.868 0.270 0.926 1.000 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 9 6.409 1.618 0.068 0.660 0.875 0.875 N 1.292 12 residues pruned to eliminate duplicates Z: 10 7.088 1.569 0.329 0.783 1.000 0.444 CB 0.883 7 residues pruned to eliminate duplicates Z: 12 3.613 1.551 0.342 0.304 0.636 0.455 CB 1.023 7 residues pruned to eliminate duplicates Z: 29 16.166 1.782 0.292 0.615 0.929 0.464 CB 1.281 41 residues pruned to eliminate duplicates Z: 6 3.980 1.513 0.899 0.349 0.800 0.400 C 0.913 6 residues pruned to eliminate duplicates 6 1.151 1.172 0.649 0.409 0.800 0.400 C 0.366 ? Z: 9 8.234 1.935 0.461 0.493 0.750 0.500 CB 1.382 9 residues pruned to eliminate duplicates Z: 9 7.984 1.473 0.863 0.601 0.875 0.625 N 1.068 8 residues pruned to eliminate duplicates Z: 16 22.036 1.944 0.670 0.831 0.933 0.600 CB 1.410 16 residues pruned to eliminate duplicates Z: 8 3.738 1.495 -0.002 0.404 0.857 0.571 C 1.223 Z: 15 4.929 1.631 0.444 0.225 0.571 0.429 C 1.351 15 residues pruned to eliminate duplicates Z: 8 4.123 1.467 0.379 0.353 0.857 0.286 CB 1.055 6 1.498 1.185 0.235 0.298 0.800 0.600 CB 0.717 ? Z: 31 57.492 2.225 1.066 0.939 1.000 0.567 CB 1.587 31 residues pruned to eliminate duplicates Z: 18 15.067 1.854 0.746 0.563 0.882 0.647 CB 1.204 18 residues pruned to eliminate duplicates Z: 10 17.700 2.094 0.372 0.834 1.000 0.778 CA 1.539 10 residues pruned to eliminate duplicates Z: 19 18.477 1.644 0.461 0.894 1.000 0.778 CA 1.301 17 residues pruned to eliminate duplicates Z: 6 7.160 1.618 0.746 0.476 1.000 0.200 N 1.162 Z: 16 19.244 1.788 0.585 0.855 1.000 0.667 CB 1.294 16 residues pruned to eliminate duplicates Z: 17 8.949 1.509 0.654 0.412 0.938 0.500 CB 1.048 Z: 12 18.107 1.974 0.721 0.837 0.909 0.455 CB 1.322 12 residues pruned to eliminate duplicates Z: 30 18.482 1.908 0.777 0.508 0.828 0.483 CB 1.213 39 residues pruned to eliminate duplicates Z: 7 4.928 1.982 0.444 0.432 0.833 0.500 CB 0.905 7 residues pruned to eliminate duplicates Z: 17 14.836 1.659 0.812 0.903 0.875 0.438 CB 1.005 17 residues pruned to eliminate duplicates Z: 10 5.709 1.588 -0.074 0.712 0.889 0.556 CB 1.201 10 residues pruned to eliminate duplicates Z: 31 19.151 1.791 0.574 0.627 0.833 0.667 CB 1.321 27 residues pruned to eliminate duplicates Z: 6 4.864 1.769 0.307 0.672 0.800 0.600 CB 1.003 Z: 13 13.339 1.741 0.381 0.827 1.000 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 6 2.422 1.596 -0.076 0.539 0.800 0.600 N 0.884 5 residues pruned to eliminate duplicates Z: 7 5.744 1.362 0.668 0.602 0.833 0.833 C 1.123 Z: 19 13.078 1.928 0.532 0.392 0.889 0.500 CB 1.315 20 residues pruned to eliminate duplicates Z: 9 3.045 1.506 0.019 0.563 0.750 0.500 CB 0.880 Z: 12 5.365 1.660 0.003 0.478 0.818 0.455 CB 1.214 12 residues pruned to eliminate duplicates Z: 6 10.370 1.955 0.310 0.864 1.000 1.000 CA 1.327 7 residues pruned to eliminate duplicates Z: 12 5.018 1.635 0.163 0.438 0.818 0.273 CB 1.037 Z: 11 16.479 2.024 0.403 0.848 1.000 0.500 CB 1.362 11 residues pruned to eliminate duplicates Z: 10 5.335 1.291 0.512 0.652 0.889 0.444 CB 0.890 10 residues pruned to eliminate duplicates Z: 26 16.820 1.935 0.532 0.569 0.800 0.640 CB 1.327 26 residues pruned to eliminate duplicates Z: 23 23.833 2.194 0.575 0.443 0.909 0.636 CA 1.715 23 residues pruned to eliminate duplicates Z: 16 13.641 1.622 0.372 0.867 0.933 0.733 CB 1.241 16 residues pruned to eliminate duplicates Z: 22 14.412 1.742 0.288 0.874 0.952 0.619 CB 1.072 22 residues pruned to eliminate duplicates Z: 24 27.469 1.931 0.514 0.899 1.000 0.783 CB 1.400 24 residues pruned to eliminate duplicates Z: 11 6.003 1.498 0.801 0.269 0.700 0.300 CB 1.307 Z: 43 27.839 2.072 0.431 0.584 0.905 0.690 CB 1.477 43 residues pruned to eliminate duplicates Z: 7 2.663 1.475 0.420 0.098 0.833 0.167 N 1.042 7 residues pruned to eliminate duplicates Z: 6 2.916 1.401 0.288 0.659 0.600 0.200 N 1.039 Z: 14 13.614 1.837 0.551 0.870 0.923 0.692 CB 1.048 14 residues pruned to eliminate duplicates Z: 10 3.216 1.356 0.587 0.339 0.667 0.333 N 0.891 Z: 9 5.455 1.558 0.440 0.385 0.875 0.375 CB 1.111 6 1.806 1.258 0.306 0.316 0.800 0.600 C 0.753 ? Z: 6 2.772 1.307 -0.048 0.622 1.000 0.600 O 0.889 Z: 9 20.064 2.057 1.039 0.819 1.000 0.750 CA 1.282 9 residues pruned to eliminate duplicates Z: 19 17.204 1.850 0.621 0.932 0.833 0.667 CB 1.133 19 residues pruned to eliminate duplicates Z: 12 7.562 1.714 0.655 0.360 0.727 0.455 N 1.285 Z: 7 5.925 1.407 0.336 0.665 1.000 0.667 CB 1.105 Z: 14 15.772 1.849 0.592 0.833 0.923 0.462 CB 1.208 14 residues pruned to eliminate duplicates Z: 6 3.671 1.617 0.163 0.476 1.000 0.400 CB 0.895 10 residues pruned to eliminate duplicates Z: 16 15.389 2.108 0.388 0.615 0.933 0.267 CB 1.306 16 residues pruned to eliminate duplicates Z: 14 17.234 1.832 0.608 0.781 0.923 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 14 20.553 1.950 0.641 0.905 0.923 0.769 CB 1.373 14 residues pruned to eliminate duplicates Z: 8 8.285 1.826 0.337 0.744 0.857 0.714 CB 1.202 8 residues pruned to eliminate duplicates Z: 15 15.565 1.752 0.770 0.829 0.929 0.571 CB 1.087 15 residues pruned to eliminate duplicates Z: 9 10.572 1.527 0.915 0.852 1.000 0.750 CB 0.946 8 residues pruned to eliminate duplicates Z: 13 5.800 1.679 0.293 0.344 0.750 0.417 CB 1.219 Z: 10 10.550 1.887 0.308 0.808 0.889 0.333 CB 1.225 10 residues pruned to eliminate duplicates Z: 9 3.282 1.416 0.641 0.463 1.000 0.625 CB 0.518 Z: 14 16.648 1.756 0.367 0.885 1.000 0.923 CB 1.389 14 residues pruned to eliminate duplicates Z: 15 11.957 1.915 0.499 0.422 0.857 0.286 CB 1.409 13 residues pruned to eliminate duplicates Z: 12 11.700 1.854 0.331 0.773 1.000 0.636 CB 1.123 12 residues pruned to eliminate duplicates Z: 6 2.213 1.703 0.078 0.394 0.600 0.400 CB 1.005 6 residues pruned to eliminate duplicates Z: 15 13.057 1.959 0.724 0.546 0.714 0.429 CB 1.383 15 residues pruned to eliminate duplicates Z: 15 8.390 1.754 0.569 0.447 0.857 0.429 CB 1.004 13 residues pruned to eliminate duplicates Z: 14 9.947 1.785 0.687 0.459 0.769 0.615 CB 1.241 14 residues pruned to eliminate duplicates Z: 17 20.632 1.827 0.524 0.840 1.000 0.750 CB 1.382 17 residues pruned to eliminate duplicates Z: 13 6.645 1.520 0.329 0.765 0.833 0.500 CB 0.901 13 residues pruned to eliminate duplicates Z: 7 4.694 1.342 0.967 0.564 0.667 0.500 C 1.023 Z: 22 21.851 1.800 0.546 0.917 0.952 0.714 CB 1.270 22 residues pruned to eliminate duplicates 6 1.839 1.246 0.223 0.297 1.000 0.400 CB 0.677 ? Z: 6 5.042 1.586 0.290 0.579 1.000 0.600 CB 1.022 6 0.531 1.495 0.318 0.658 1.000 0.400 CB 0.104 ? Z: 6 3.807 1.542 -0.038 0.511 1.000 1.000 CA 1.135 6 residues pruned to eliminate duplicates Z: 7 6.262 1.359 0.814 0.901 1.000 1.000 CA 0.741 Z: 10 14.413 1.771 0.449 0.872 1.000 0.556 N 1.365 10 residues pruned to eliminate duplicates Z: 7 7.646 1.397 0.921 0.843 0.833 0.833 O 1.039 7 residues pruned to eliminate duplicates Z: 14 10.829 1.761 0.697 0.551 0.846 0.615 CB 1.130 14 residues pruned to eliminate duplicates Z: 27 26.427 1.930 0.800 0.895 0.923 0.731 CB 1.158 27 residues pruned to eliminate duplicates Z: 26 34.247 2.016 0.959 0.902 0.960 0.600 CB 1.288 26 residues pruned to eliminate duplicates Z: 7 10.666 1.890 0.527 0.837 0.833 0.833 CB 1.355 7 residues pruned to eliminate duplicates Z: 38 26.469 1.957 0.607 0.680 0.892 0.676 CB 1.314 38 residues pruned to eliminate duplicates Z: 28 15.453 1.765 0.499 0.581 0.815 0.481 CB 1.277 41 residues pruned to eliminate duplicates Z: 9 4.665 1.522 0.354 0.300 0.875 0.500 CB 1.143 Z: 8 5.361 1.516 0.125 0.438 1.000 0.571 C 1.266 Z: 7 8.805 1.993 0.226 0.724 0.833 0.667 CA 1.442 7 residues pruned to eliminate duplicates Z: 8 4.308 1.302 0.408 0.549 1.000 0.429 N 0.847 Z: 10 3.045 1.478 0.299 0.319 0.667 0.444 CB 0.968 Z: 42 58.294 2.203 0.942 0.876 0.951 0.610 CB 1.626 42 residues pruned to eliminate duplicates Z: 17 20.405 1.824 0.420 0.860 1.000 0.812 CB 1.448 15 residues pruned to eliminate duplicates Z: 6 5.737 1.535 0.542 0.427 1.000 0.600 N 1.170 Z: 17 11.201 1.862 0.606 0.621 0.750 0.562 CB 1.114 17 residues pruned to eliminate duplicates Z: 15 11.406 1.678 0.607 0.567 0.929 0.643 CB 1.141 18 residues pruned to eliminate duplicates Z: 6 2.952 1.262 -0.029 0.572 1.000 0.400 O 1.006 Z: 14 22.506 1.877 0.625 0.887 1.000 0.769 CB 1.476 12 residues pruned to eliminate duplicates Z: 6 4.884 1.541 0.457 0.462 1.000 1.000 CA 1.012 6 residues pruned to eliminate duplicates Z: 28 18.609 1.887 0.639 0.519 0.852 0.296 CB 1.333 28 residues pruned to eliminate duplicates Z: 7 2.367 1.684 0.588 0.383 0.833 0.667 CB 0.491 7 residues pruned to eliminate duplicates Z: 6 5.392 1.748 0.467 0.691 1.000 0.800 CB 0.790 6 residues pruned to eliminate duplicates Z: 7 10.943 1.951 0.646 0.512 1.000 0.833 CB 1.374 Z: 10 6.196 1.640 0.396 0.730 0.889 0.556 CB 0.825 10 residues pruned to eliminate duplicates Z: 9 16.232 1.847 0.458 0.901 1.000 1.000 CB 1.522 9 residues pruned to eliminate duplicates Z: 29 38.531 2.293 0.455 0.918 0.964 0.893 CA 1.596 29 residues pruned to eliminate duplicates 7 1.631 1.125 0.250 0.384 0.667 0.500 CB 0.804 ? Z: 12 7.851 1.760 0.353 0.867 0.909 0.818 CB 0.800 12 residues pruned to eliminate duplicates Z: 7 6.807 1.642 0.336 0.523 1.000 0.667 CB 1.238 Z: 22 16.103 2.009 0.541 0.425 0.857 0.524 CB 1.432 22 residues pruned to eliminate duplicates Z: 26 31.041 2.134 0.556 0.671 1.000 0.760 CB 1.598 26 residues pruned to eliminate duplicates Z: 7 10.891 1.860 0.536 0.877 1.000 1.000 CA 1.131 7 residues pruned to eliminate duplicates Z: 25 28.225 2.104 0.742 0.658 0.958 0.458 CB 1.416 25 residues pruned to eliminate duplicates Z: 14 9.750 1.635 0.645 0.454 0.846 0.308 N 1.246 14 residues pruned to eliminate duplicates Z: 10 2.421 1.384 0.584 0.333 0.778 0.444 CB 0.568 Z: 6 7.195 1.721 0.240 0.682 1.000 0.800 CB 1.276 Z: 6 11.624 1.854 0.564 0.765 1.000 0.400 CB 1.417 6 residues pruned to eliminate duplicates Z: 19 18.578 1.743 0.617 0.701 0.944 0.556 CB 1.369 18 residues pruned to eliminate duplicates Z: 22 21.267 1.904 0.443 0.768 0.905 0.571 CA 1.472 22 residues pruned to eliminate duplicates 8 1.259 1.296 0.379 0.228 0.714 0.571 CA 0.512 ? Z: 6 6.805 1.844 0.407 0.737 1.000 0.800 CB 0.949 6 residues pruned to eliminate duplicates Z: 6 6.514 1.734 0.655 0.877 1.000 0.800 CB 0.738 6 residues pruned to eliminate duplicates Z: 8 3.513 1.498 0.119 0.721 1.000 1.000 CB 0.649 Z: 28 24.891 1.895 0.582 0.869 0.889 0.630 CB 1.313 28 residues pruned to eliminate duplicates Z: 30 23.833 2.162 0.639 0.485 0.862 0.517 CB 1.471 30 residues pruned to eliminate duplicates Z: 20 37.588 2.158 0.987 0.755 0.895 0.421 CA 1.791 20 residues pruned to eliminate duplicates Z: 6 3.819 1.492 0.360 0.379 1.000 0.600 N 0.958 Z: 22 24.782 1.930 0.725 0.664 0.952 0.476 CB 1.466 22 residues pruned to eliminate duplicates Z: 7 6.597 1.512 0.265 0.681 1.000 0.333 C 1.193 Z: 31 28.512 1.996 0.688 0.559 0.933 0.533 CB 1.564 31 residues pruned to eliminate duplicates Z: 13 10.209 1.688 0.440 0.541 0.917 0.583 CA 1.270 13 residues pruned to eliminate duplicates Z: 10 7.556 1.465 0.395 0.835 1.000 0.667 CB 0.923 10 residues pruned to eliminate duplicates Z: 24 22.800 1.940 0.928 0.792 0.826 0.391 CB 1.191 24 residues pruned to eliminate duplicates Z: 6 3.155 1.574 0.034 0.473 1.000 0.800 CB 0.890 7 1.330 1.475 0.581 0.361 0.667 0.500 CB 0.405 ? Z: 13 11.225 1.842 0.172 0.838 1.000 0.750 CB 1.122 13 residues pruned to eliminate duplicates Z: 12 4.553 1.603 0.247 0.364 0.818 0.545 CB 0.972 12 residues pruned to eliminate duplicates Z: 26 27.457 1.996 0.827 0.778 0.920 0.400 CB 1.281 26 residues pruned to eliminate duplicates 7 1.447 1.442 0.402 0.254 0.500 0.333 N 0.775 ? Z: 10 3.606 1.736 0.174 0.614 0.889 0.333 CB 0.596 8 residues pruned to eliminate duplicates Z: 12 7.711 1.633 0.845 0.422 0.818 0.545 CB 1.023 12 residues pruned to eliminate duplicates Z: 7 2.226 1.281 0.613 0.532 0.500 0.333 CB 0.852 7 residues pruned to eliminate duplicates Z: 23 19.258 1.729 0.799 0.900 0.864 0.409 CB 1.092 23 residues pruned to eliminate duplicates Z: 18 16.011 1.929 0.334 0.534 1.000 0.529 CB 1.459 18 residues pruned to eliminate duplicates Z: 10 8.920 1.608 0.287 0.875 1.000 0.778 CB 1.045 10 residues pruned to eliminate duplicates Z: 40 31.565 2.206 0.897 0.674 0.795 0.487 CB 1.294 41 residues pruned to eliminate duplicates Z: 28 39.739 2.129 0.600 0.936 1.000 0.963 CB 1.563 28 residues pruned to eliminate duplicates Z: 8 7.447 1.754 0.351 0.698 0.857 0.429 CB 1.156 Z: 19 16.596 2.041 0.473 0.561 0.944 0.611 CB 1.298 19 residues pruned to eliminate duplicates Z: 14 6.310 1.878 0.449 0.245 0.692 0.385 CB 1.247 14 residues pruned to eliminate duplicates Z: 13 28.526 2.139 0.711 0.926 1.000 1.000 CB 1.578 13 residues pruned to eliminate duplicates Z: 23 16.166 1.808 0.635 0.481 0.909 0.409 CB 1.307 23 residues pruned to eliminate duplicates Z: 8 7.342 1.761 0.473 0.589 1.000 0.857 CB 0.983 7 residues pruned to eliminate duplicates Z: 14 7.442 1.631 0.380 0.482 0.769 0.462 CB 1.214 14 residues pruned to eliminate duplicates Z: 8 5.497 1.720 0.781 0.566 0.714 0.571 CB 0.890 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 16.949 2.057 0.283 0.853 1.000 0.800 CB 1.500 12 residues pruned to eliminate duplicates Z: 9 11.395 2.047 0.563 0.788 0.875 0.750 CB 1.117 9 residues pruned to eliminate duplicates Z: 9 16.891 2.123 0.549 0.728 1.000 0.875 CB 1.479 9 residues pruned to eliminate duplicates Z: 8 15.818 2.167 0.528 0.883 1.000 0.857 CB 1.305 8 residues pruned to eliminate duplicates Z: 13 17.483 1.991 0.801 0.721 0.917 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 11 20.134 2.158 0.574 0.836 1.000 0.700 CB 1.402 12 residues pruned to eliminate duplicates Z: 12 20.592 1.951 0.749 0.845 1.000 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 13 18.613 1.921 0.566 0.834 1.000 0.583 CB 1.338 12 residues pruned to eliminate duplicates Z: 11 19.228 2.113 0.678 0.881 0.900 0.400 CB 1.380 13 residues pruned to eliminate duplicates Z: 14 16.485 1.800 0.628 0.839 1.000 0.462 CB 1.165 14 residues pruned to eliminate duplicates Z: 13 18.379 1.956 0.945 0.796 0.917 0.583 CB 1.174 14 residues pruned to eliminate duplicates Z: 13 17.093 1.940 0.812 0.876 0.833 0.583 CB 1.224 11 residues pruned to eliminate duplicates Z: 9 18.390 2.014 0.395 0.837 1.000 0.500 N 1.730 9 residues pruned to eliminate duplicates Z: 9 14.426 1.992 0.257 0.903 0.875 0.625 CB 1.659 9 residues pruned to eliminate duplicates Z: 18 12.364 1.948 0.325 0.636 0.824 0.588 CB 1.241 19 residues pruned to eliminate duplicates Z: 11 13.464 1.785 0.293 0.763 1.000 0.300 CB 1.461 11 residues pruned to eliminate duplicates Z: 12 12.615 1.824 0.265 0.629 0.909 0.636 CB 1.606 12 residues pruned to eliminate duplicates Z: 13 9.328 1.727 0.304 0.584 0.917 0.583 CB 1.203 13 residues pruned to eliminate duplicates Z: 13 11.901 1.749 0.662 0.634 0.917 0.500 CB 1.137 13 residues pruned to eliminate duplicates Z: 10 8.899 1.804 0.786 0.552 1.000 0.667 CB 0.875 10 residues pruned to eliminate duplicates 6 1.697 1.565 0.405 0.274 0.600 0.400 CB 0.744 ? Z: 6 4.574 1.637 1.175 0.317 0.800 0.400 CA 0.879 Z: 6 4.445 1.759 0.731 0.341 0.800 0.400 CB 0.971 6 residues pruned to eliminate duplicates Z: 16 23.486 2.059 0.450 0.867 1.000 0.867 CA 1.487 16 residues pruned to eliminate duplicates Z: 11 12.408 1.941 0.416 0.444 0.900 0.700 CB 1.680 11 residues pruned to eliminate duplicates Z: 16 13.597 2.033 0.276 0.502 0.933 0.667 CB 1.447 16 residues pruned to eliminate duplicates Z: 19 22.666 2.009 0.510 0.753 0.944 0.778 CB 1.488 19 residues pruned to eliminate duplicates Z: 20 18.938 1.930 0.654 0.667 0.842 0.684 CB 1.385 20 residues pruned to eliminate duplicates Z: 18 26.355 2.053 0.536 0.791 1.000 0.824 CA 1.571 18 residues pruned to eliminate duplicates Z: 19 25.233 2.014 0.591 0.771 0.944 0.722 CA 1.547 19 residues pruned to eliminate duplicates Z: 15 23.330 2.078 0.566 0.846 1.000 0.714 CA 1.424 15 residues pruned to eliminate duplicates Z: 19 28.570 2.011 0.737 0.788 1.000 0.500 CB 1.497 19 residues pruned to eliminate duplicates Z: 16 25.248 2.060 0.635 0.878 0.933 0.667 CA 1.506 16 residues pruned to eliminate duplicates Z: 30 20.221 1.859 0.407 0.611 0.966 0.690 CB 1.338 22 residues pruned to eliminate duplicates Z: 16 24.940 2.115 0.529 0.856 1.000 0.800 CA 1.469 16 residues pruned to eliminate duplicates Z: 19 25.546 1.985 0.727 0.734 0.944 0.778 CB 1.507 19 residues pruned to eliminate duplicates Z: 18 27.353 2.016 0.585 0.795 1.000 0.824 CB 1.604 18 residues pruned to eliminate duplicates Z: 10 4.525 1.881 -0.036 0.283 0.778 0.444 CB 1.365 10 residues pruned to eliminate duplicates Z: 9 8.757 2.066 0.111 0.489 0.875 0.625 N 1.558 9 residues pruned to eliminate duplicates Z: 10 9.469 1.846 0.607 0.480 0.778 0.778 N 1.396 10 residues pruned to eliminate duplicates Z: 14 6.121 1.863 0.418 0.356 0.692 0.538 CB 1.085 14 residues pruned to eliminate duplicates Z: 10 9.544 2.003 0.503 0.428 0.889 0.444 CB 1.281 10 residues pruned to eliminate duplicates Z: 9 14.366 2.157 0.457 0.457 1.000 0.875 CB 1.689 9 residues pruned to eliminate duplicates Z: 6 5.009 1.807 0.563 0.566 0.800 0.400 CB 0.930 6 residues pruned to eliminate duplicates Z: 62 49.603 2.219 0.556 0.720 0.951 0.721 CB 1.585 62 residues pruned to eliminate duplicates Z: 6 4.263 2.035 0.005 0.420 0.800 0.600 CB 1.265 6 residues pruned to eliminate duplicates Z: 63 57.442 2.225 0.672 0.761 0.984 0.726 CB 1.581 63 residues pruned to eliminate duplicates Z: 43 45.533 2.281 0.537 0.826 0.929 0.881 CB 1.628 43 residues pruned to eliminate duplicates Z: 43 40.107 2.234 0.562 0.739 0.905 0.738 CA 1.582 43 residues pruned to eliminate duplicates Z: 14 10.061 2.066 0.196 0.455 0.846 0.615 CB 1.397 14 residues pruned to eliminate duplicates Z: 62 55.804 2.243 0.698 0.770 0.918 0.738 CB 1.609 62 residues pruned to eliminate duplicates Z: 60 52.084 2.230 0.574 0.773 0.949 0.797 CB 1.598 60 residues pruned to eliminate duplicates Z: 43 47.239 2.310 0.729 0.743 0.952 0.714 CB 1.542 43 residues pruned to eliminate duplicates Z: 46 52.900 2.297 0.687 0.796 0.978 0.733 CB 1.605 46 residues pruned to eliminate duplicates Z: 12 24.322 2.136 0.650 0.850 1.000 0.818 CB 1.541 12 residues pruned to eliminate duplicates Z: 46 45.449 2.278 0.548 0.763 0.956 0.800 CB 1.592 46 residues pruned to eliminate duplicates Z: 46 43.336 2.200 0.595 0.723 0.956 0.711 CB 1.575 46 residues pruned to eliminate duplicates Z: 59 47.147 2.200 0.610 0.721 0.914 0.776 CB 1.567 59 residues pruned to eliminate duplicates Z: 51 45.748 2.241 0.616 0.739 0.920 0.740 CB 1.567 51 residues pruned to eliminate duplicates Z: 65 52.973 2.202 0.761 0.752 0.891 0.781 CB 1.531 65 residues pruned to eliminate duplicates Z: 61 59.522 2.235 0.801 0.780 0.933 0.733 CB 1.598 61 residues pruned to eliminate duplicates Z: 59 54.253 2.260 0.630 0.786 0.931 0.793 CB 1.615 59 residues pruned to eliminate duplicates Z: 55 45.332 2.199 0.622 0.728 0.926 0.704 CB 1.521 55 residues pruned to eliminate duplicates Z: 18 38.913 2.450 0.663 0.879 1.000 0.882 CA 1.680 18 residues pruned to eliminate duplicates Z: 60 56.874 2.218 0.683 0.789 0.966 0.814 CB 1.592 60 residues pruned to eliminate duplicates Z: 59 55.610 2.161 0.833 0.763 0.948 0.707 CB 1.539 59 residues pruned to eliminate duplicates Z: 45 45.424 2.218 0.882 0.696 0.886 0.750 CB 1.547 45 residues pruned to eliminate duplicates Z: 56 54.835 2.260 0.741 0.796 0.945 0.709 CB 1.534 56 residues pruned to eliminate duplicates Z: 60 64.715 2.250 0.848 0.797 0.983 0.797 CB 1.590 60 residues pruned to eliminate duplicates Z: 65 57.682 2.201 0.869 0.770 0.938 0.594 CB 1.471 65 residues pruned to eliminate duplicates Z: 60 62.104 2.239 0.915 0.778 0.949 0.763 CB 1.555 58 residues pruned to eliminate duplicates Z: 30 49.534 2.256 0.776 0.929 0.966 0.828 CA 1.664 30 residues pruned to eliminate duplicates Z: 49 50.539 2.219 0.991 0.738 0.938 0.625 CB 1.423 49 residues pruned to eliminate duplicates Z: 68 51.189 2.187 0.679 0.710 0.925 0.567 CB 1.521 68 residues pruned to eliminate duplicates Z: 47 58.694 2.230 0.926 0.818 0.978 0.783 CB 1.564 47 residues pruned to eliminate duplicates Z: 44 47.636 2.295 0.998 0.731 0.884 0.512 CB 1.456 44 residues pruned to eliminate duplicates Z: 58 57.858 2.260 0.827 0.796 0.930 0.719 CB 1.540 58 residues pruned to eliminate duplicates Z: 61 59.085 2.191 0.957 0.749 0.967 0.633 CB 1.473 61 residues pruned to eliminate duplicates Z: 49 51.335 2.251 0.927 0.738 0.896 0.542 CB 1.540 49 residues pruned to eliminate duplicates Z: 41 60.477 2.321 1.087 0.852 0.975 0.650 CB 1.497 41 residues pruned to eliminate duplicates Z: 51 45.189 2.250 0.819 0.727 0.860 0.600 CB 1.480 51 residues pruned to eliminate duplicates Z: 50 56.752 2.266 1.017 0.774 0.939 0.673 CB 1.483 50 residues pruned to eliminate duplicates Z: 49 56.723 2.248 0.980 0.740 0.979 0.646 CB 1.515 49 residues pruned to eliminate duplicates Z: 54 61.095 2.263 0.907 0.793 0.981 0.642 CB 1.534 56 residues pruned to eliminate duplicates Z: 29 43.590 2.233 0.906 0.884 0.857 0.607 CB 1.632 29 residues pruned to eliminate duplicates Z: 58 64.830 2.267 0.960 0.787 0.965 0.632 CB 1.557 58 residues pruned to eliminate duplicates Z: 61 60.011 2.240 0.915 0.758 0.950 0.533 CB 1.512 61 residues pruned to eliminate duplicates Z: 52 49.888 2.222 1.014 0.665 0.863 0.510 CB 1.553 52 residues pruned to eliminate duplicates Z: 14 28.018 2.213 0.978 0.759 0.846 0.538 CA 1.666 14 residues pruned to eliminate duplicates Z: 17 22.862 2.042 0.839 0.676 0.938 0.562 CB 1.381 17 residues pruned to eliminate duplicates Z: 16 20.579 2.088 0.666 0.673 0.867 0.400 CB 1.503 16 residues pruned to eliminate duplicates Z: 65 57.752 2.232 0.919 0.723 0.906 0.500 CB 1.521 65 residues pruned to eliminate duplicates Z: 16 27.049 2.042 0.985 0.831 0.933 0.600 CB 1.387 16 residues pruned to eliminate duplicates Z: 12 29.360 2.113 1.184 0.845 0.909 0.545 CB 1.569 12 residues pruned to eliminate duplicates Z: 44 53.966 2.244 1.014 0.790 0.907 0.535 CB 1.556 44 residues pruned to eliminate duplicates Z: 56 53.032 2.273 0.898 0.744 0.873 0.491 CB 1.527 56 residues pruned to eliminate duplicates Z: 17 21.475 1.976 0.990 0.671 0.812 0.438 CB 1.435 17 residues pruned to eliminate duplicates Z: 18 25.929 2.008 1.017 0.676 0.941 0.647 CB 1.402 18 residues pruned to eliminate duplicates Z: 16 29.284 2.114 0.931 0.761 0.933 0.600 CB 1.573 16 residues pruned to eliminate duplicates Z: 62 58.909 2.226 1.050 0.740 0.918 0.377 CB 1.453 62 residues pruned to eliminate duplicates Z: 27 25.438 1.970 0.568 0.734 0.962 0.692 CB 1.361 27 residues pruned to eliminate duplicates Z: 26 31.901 1.991 0.557 0.906 1.000 0.800 CB 1.464 26 residues pruned to eliminate duplicates Z: 26 33.307 2.040 0.662 0.887 0.960 0.800 CB 1.476 26 residues pruned to eliminate duplicates Z: 23 29.173 2.071 0.566 0.800 0.955 0.636 CB 1.546 23 residues pruned to eliminate duplicates Z: 33 25.344 1.856 0.653 0.678 0.969 0.719 CB 1.280 27 residues pruned to eliminate duplicates Z: 21 23.361 2.072 0.234 0.889 0.950 0.800 CB 1.549 21 residues pruned to eliminate duplicates Z: 21 26.027 2.070 0.509 0.856 0.950 0.700 CB 1.447 21 residues pruned to eliminate duplicates Z: 27 22.680 1.992 0.339 0.716 0.962 0.615 CB 1.427 27 residues pruned to eliminate duplicates Z: 25 27.293 2.055 0.741 0.720 0.875 0.500 CB 1.458 25 residues pruned to eliminate duplicates Z: 21 28.265 2.070 0.630 0.857 0.950 0.500 CB 1.452 27 residues pruned to eliminate duplicates Z: 23 27.816 2.009 0.595 0.909 1.000 0.682 CB 1.314 23 residues pruned to eliminate duplicates Z: 24 18.092 1.890 0.733 0.619 0.783 0.435 CB 1.315 24 residues pruned to eliminate duplicates Z: 26 26.061 1.999 0.728 0.742 0.920 0.520 CB 1.321 26 residues pruned to eliminate duplicates Z: 24 26.543 2.017 0.894 0.795 0.870 0.522 CB 1.286 24 residues pruned to eliminate duplicates Z: 25 33.324 2.084 0.668 0.926 1.000 0.792 CB 1.372 25 residues pruned to eliminate duplicates Z: 23 29.628 2.075 0.838 0.814 0.909 0.545 CB 1.387 23 residues pruned to eliminate duplicates Z: 27 30.842 2.007 0.876 0.765 0.962 0.654 CB 1.321 21 residues pruned to eliminate duplicates Z: 26 33.262 2.049 0.696 0.918 0.960 0.800 CB 1.406 26 residues pruned to eliminate duplicates Z: 27 30.432 2.006 0.930 0.831 0.923 0.500 CB 1.254 27 residues pruned to eliminate duplicates Z: 27 28.755 1.970 0.816 0.834 0.962 0.385 CB 1.229 27 residues pruned to eliminate duplicates Z: 33 27.586 1.915 0.699 0.778 0.969 0.688 CB 1.210 33 residues pruned to eliminate duplicates Z: 26 29.954 2.040 0.817 0.874 0.960 0.560 CB 1.226 26 residues pruned to eliminate duplicates Z: 13 8.463 1.725 0.435 0.434 0.833 0.500 CB 1.268 Z: 7 5.664 1.461 0.496 0.600 0.833 0.333 CB 1.153 7 residues pruned to eliminate duplicates Z: 9 4.493 1.660 0.323 0.316 0.750 0.375 CB 1.181 9 residues pruned to eliminate duplicates Z: 42 20.814 1.943 0.489 0.466 0.878 0.488 CB 1.324 42 residues pruned to eliminate duplicates Z: 20 19.785 2.141 0.389 0.577 0.947 0.421 CB 1.497 20 residues pruned to eliminate duplicates Z: 39 20.369 2.096 0.397 0.431 0.868 0.316 CB 1.395 39 residues pruned to eliminate duplicates Z: 23 19.833 2.044 0.530 0.584 0.864 0.636 CB 1.443 19 residues pruned to eliminate duplicates Z: 16 16.497 1.900 0.355 0.699 1.000 0.333 CB 1.380 16 residues pruned to eliminate duplicates Z: 20 17.664 2.190 0.290 0.594 0.895 0.474 CB 1.465 20 residues pruned to eliminate duplicates Z: 39 21.391 2.103 0.420 0.471 0.868 0.395 CB 1.378 39 residues pruned to eliminate duplicates Z: 20 17.192 2.131 0.440 0.574 0.842 0.526 CB 1.421 20 residues pruned to eliminate duplicates Z: 21 18.398 2.124 0.417 0.539 0.850 0.450 CB 1.547 21 residues pruned to eliminate duplicates Z: 21 22.536 2.134 0.431 0.602 0.950 0.600 CB 1.576 23 residues pruned to eliminate duplicates Z: 11 24.907 2.213 0.496 0.851 1.000 0.800 CB 1.761 11 residues pruned to eliminate duplicates Z: 25 19.607 2.014 0.526 0.557 0.875 0.458 CB 1.407 24 residues pruned to eliminate duplicates Z: 13 21.044 2.017 0.580 0.826 0.917 0.583 CB 1.568 13 residues pruned to eliminate duplicates Z: 42 19.042 2.076 0.410 0.397 0.829 0.463 CB 1.366 42 residues pruned to eliminate duplicates Z: 38 21.474 2.081 0.557 0.451 0.865 0.432 CB 1.325 38 residues pruned to eliminate duplicates Z: 24 17.648 2.063 0.388 0.559 0.870 0.522 CB 1.395 24 residues pruned to eliminate duplicates Z: 20 20.630 2.201 0.461 0.627 0.895 0.421 CB 1.460 20 residues pruned to eliminate duplicates Z: 22 13.182 1.944 0.293 0.544 0.857 0.524 CB 1.279 22 residues pruned to eliminate duplicates Z: 11 29.225 2.370 0.546 0.859 1.000 0.800 CB 1.855 23 residues pruned to eliminate duplicates Z: 11 22.077 2.356 0.289 0.839 1.000 0.800 CB 1.716 10 residues pruned to eliminate duplicates Z: 12 23.839 2.235 0.410 0.884 1.000 0.727 CA 1.648 12 residues pruned to eliminate duplicates Z: 14 17.137 2.081 0.417 0.596 0.923 0.769 CA 1.593 14 residues pruned to eliminate duplicates Z: 14 18.652 2.229 0.489 0.618 0.769 0.615 CB 1.812 14 residues pruned to eliminate duplicates Z: 14 15.121 2.066 0.440 0.651 0.769 0.538 CA 1.592 14 residues pruned to eliminate duplicates Z: 11 20.309 2.311 0.402 0.737 0.900 0.800 CB 1.780 11 residues pruned to eliminate duplicates Z: 16 21.053 2.090 0.740 0.613 0.867 0.800 CB 1.550 16 residues pruned to eliminate duplicates Z: 19 15.675 1.948 0.510 0.470 0.889 0.444 CB 1.457 19 residues pruned to eliminate duplicates Z: 49 42.229 2.076 0.771 0.705 0.917 0.729 CB 1.500 49 residues pruned to eliminate duplicates Z: 16 23.584 1.821 0.698 0.792 1.000 0.667 CB 1.524 16 residues pruned to eliminate duplicates Z: 42 32.708 2.025 0.487 0.692 0.976 0.732 CB 1.459 42 residues pruned to eliminate duplicates Z: 19 20.804 1.924 0.418 0.826 0.944 0.667 CB 1.435 19 residues pruned to eliminate duplicates Z: 22 15.891 1.694 0.488 0.629 0.905 0.667 CB 1.347 22 residues pruned to eliminate duplicates Z: 15 14.129 1.883 0.384 0.745 0.786 0.643 CB 1.481 15 residues pruned to eliminate duplicates Z: 15 18.360 1.890 0.643 0.817 0.929 0.714 CB 1.292 15 residues pruned to eliminate duplicates Z: 15 21.639 1.820 0.672 0.917 1.000 0.786 CB 1.341 15 residues pruned to eliminate duplicates Z: 15 17.434 1.855 0.314 0.812 1.000 0.714 CB 1.457 15 residues pruned to eliminate duplicates Z: 17 14.213 1.842 0.427 0.718 0.938 0.625 CB 1.184 17 residues pruned to eliminate duplicates Z: 15 20.380 1.927 0.452 0.832 1.000 0.929 CB 1.462 15 residues pruned to eliminate duplicates Z: 16 21.531 1.924 0.599 0.829 1.000 0.667 CB 1.360 16 residues pruned to eliminate duplicates Z: 15 20.244 1.903 0.517 0.829 1.000 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 29 16.364 1.711 0.457 0.512 0.893 0.571 CB 1.373 29 residues pruned to eliminate duplicates Z: 18 16.728 1.787 0.548 0.660 0.882 0.529 CA 1.434 18 residues pruned to eliminate duplicates Z: 42 36.679 2.045 0.684 0.672 0.976 0.659 CB 1.455 42 residues pruned to eliminate duplicates Z: 41 34.019 2.078 0.495 0.718 0.925 0.750 CB 1.538 41 residues pruned to eliminate duplicates Z: 27 26.408 2.170 0.539 0.651 0.885 0.577 CB 1.523 27 residues pruned to eliminate duplicates Z: 41 34.282 2.031 0.601 0.700 0.925 0.550 CB 1.502 41 residues pruned to eliminate duplicates Z: 26 26.787 2.141 0.697 0.616 0.880 0.480 CB 1.502 26 residues pruned to eliminate duplicates Z: 28 28.432 2.091 0.748 0.614 0.926 0.593 CB 1.451 28 residues pruned to eliminate duplicates Z: 26 25.784 2.167 0.599 0.658 0.880 0.680 CB 1.460 26 residues pruned to eliminate duplicates Z: 27 28.719 2.155 0.628 0.675 0.885 0.654 CB 1.544 27 residues pruned to eliminate duplicates Z: 26 29.223 2.160 0.578 0.631 0.960 0.640 CB 1.579 26 residues pruned to eliminate duplicates Z: 26 26.471 2.186 0.471 0.677 0.960 0.640 CB 1.457 26 residues pruned to eliminate duplicates Z: 27 25.090 2.123 0.599 0.591 0.846 0.538 CB 1.570 27 residues pruned to eliminate duplicates Z: 42 30.777 2.038 0.583 0.677 0.878 0.659 CB 1.441 42 residues pruned to eliminate duplicates Z: 26 28.690 2.182 0.589 0.671 0.920 0.600 CB 1.535 26 residues pruned to eliminate duplicates Z: 26 31.519 2.159 0.717 0.659 1.000 0.720 CB 1.467 26 residues pruned to eliminate duplicates Z: 26 31.433 2.178 0.674 0.694 0.960 0.680 CB 1.503 26 residues pruned to eliminate duplicates Z: 26 32.047 2.170 0.731 0.646 0.960 0.640 CB 1.551 26 residues pruned to eliminate duplicates Z: 27 29.043 2.131 0.521 0.704 0.923 0.615 CB 1.581 26 residues pruned to eliminate duplicates Z: 7 6.004 1.466 0.659 0.509 1.000 0.667 N 0.999 7 residues pruned to eliminate duplicates Z: 27 31.140 2.132 0.772 0.671 0.923 0.462 CB 1.495 27 residues pruned to eliminate duplicates Z: 20 19.593 2.071 0.837 0.474 0.842 0.474 CB 1.441 20 residues pruned to eliminate duplicates Z: 42 36.885 2.036 0.768 0.685 0.927 0.610 CB 1.457 42 residues pruned to eliminate duplicates Z: 15 12.551 1.895 0.487 0.504 0.929 0.571 CB 1.276 15 residues pruned to eliminate duplicates Z: 25 27.361 2.151 0.770 0.656 0.917 0.458 CB 1.385 25 residues pruned to eliminate duplicates Z: 18 17.947 2.135 0.700 0.383 0.882 0.471 CB 1.540 21 residues pruned to eliminate duplicates Z: 6 2.113 1.364 -0.077 0.195 1.000 0.400 CA 1.080 Z: 6 6.043 1.769 0.558 0.417 0.800 0.600 CB 1.337 6 residues pruned to eliminate duplicates Z: 8 13.299 1.927 0.840 0.566 1.000 0.714 CA 1.330 8 residues pruned to eliminate duplicates Z: 20 15.992 2.083 0.575 0.357 0.947 0.579 CB 1.378 26 residues pruned to eliminate duplicates Z: 20 15.287 2.091 0.597 0.325 0.895 0.579 CB 1.422 20 residues pruned to eliminate duplicates Z: 19 13.853 2.107 0.434 0.359 0.889 0.500 CB 1.416 19 residues pruned to eliminate duplicates Z: 19 15.414 2.149 0.571 0.330 0.889 0.444 CB 1.458 19 residues pruned to eliminate duplicates Z: 19 15.092 2.143 0.632 0.303 0.833 0.500 CB 1.519 19 residues pruned to eliminate duplicates Z: 13 14.338 2.163 0.433 0.370 0.917 0.500 CA 1.673 13 residues pruned to eliminate duplicates Z: 15 8.399 1.789 0.476 0.558 0.714 0.429 CB 1.125 15 residues pruned to eliminate duplicates Z: 6 3.204 1.796 0.230 0.580 0.600 0.600 CB 1.000 7 residues pruned to eliminate duplicates Z: 7 6.430 1.680 0.147 0.818 1.000 0.667 CB 1.034 5 residues pruned to eliminate duplicates Z: 8 3.751 1.464 0.500 0.420 0.714 0.143 O 0.982 Z: 7 8.952 1.842 1.029 0.492 0.833 0.333 CB 1.183 7 residues pruned to eliminate duplicates Z: 27 31.411 2.364 0.624 0.605 0.923 0.731 CB 1.573 27 residues pruned to eliminate duplicates Z: 25 33.132 2.379 0.562 0.684 0.958 0.792 CB 1.603 25 residues pruned to eliminate duplicates Z: 13 21.050 2.385 0.378 0.560 1.000 0.500 CA 1.744 13 residues pruned to eliminate duplicates Z: 28 34.523 2.305 0.666 0.673 0.889 0.667 CB 1.659 28 residues pruned to eliminate duplicates Z: 26 31.947 2.347 0.734 0.655 0.840 0.720 CB 1.619 26 residues pruned to eliminate duplicates Z: 28 34.945 2.306 0.843 0.664 0.926 0.704 CB 1.468 31 residues pruned to eliminate duplicates Z: 14 31.173 2.331 0.805 0.857 1.000 0.692 CA 1.514 14 residues pruned to eliminate duplicates Z: 29 29.167 2.284 0.743 0.621 0.893 0.786 CB 1.384 29 residues pruned to eliminate duplicates Z: 29 28.580 2.199 0.614 0.647 0.893 0.714 CB 1.487 29 residues pruned to eliminate duplicates Z: 32 31.258 2.209 0.711 0.591 0.968 0.484 CB 1.407 32 residues pruned to eliminate duplicates Z: 25 42.794 2.426 1.007 0.682 0.917 0.708 CB 1.656 27 residues pruned to eliminate duplicates Z: 13 38.305 2.301 1.479 0.865 1.000 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 29 34.679 2.189 0.981 0.620 0.929 0.607 CB 1.453 27 residues pruned to eliminate duplicates Z: 24 42.245 2.293 1.121 0.788 0.957 0.652 CB 1.470 24 residues pruned to eliminate duplicates Z: 27 45.333 2.432 1.090 0.708 0.923 0.577 CB 1.568 27 residues pruned to eliminate duplicates Z: 43 46.929 2.185 0.931 0.724 0.905 0.714 CB 1.550 43 residues pruned to eliminate duplicates Z: 28 39.917 2.290 1.164 0.572 0.889 0.519 CB 1.627 28 residues pruned to eliminate duplicates Z: 25 50.699 2.385 1.266 0.688 1.000 0.667 CB 1.613 27 residues pruned to eliminate duplicates Z: 11 19.518 2.016 0.906 0.819 0.900 0.700 CB 1.354 11 residues pruned to eliminate duplicates Z: 46 56.338 2.227 0.892 0.808 0.978 0.756 CB 1.558 46 residues pruned to eliminate duplicates Z: 30 21.957 2.183 0.738 0.486 0.793 0.414 CB 1.373 30 residues pruned to eliminate duplicates Z: 27 42.136 2.401 1.153 0.664 0.923 0.577 CB 1.487 27 residues pruned to eliminate duplicates Z: 27 42.524 2.319 1.309 0.718 0.885 0.577 CB 1.445 27 residues pruned to eliminate duplicates Z: 49 51.792 2.186 0.804 0.746 0.958 0.667 CB 1.588 49 residues pruned to eliminate duplicates Z: 47 49.950 2.180 0.792 0.787 0.957 0.717 CB 1.532 47 residues pruned to eliminate duplicates Z: 16 30.191 2.182 0.797 0.800 0.933 0.733 CA 1.639 16 residues pruned to eliminate duplicates Z: 16 36.756 2.163 0.957 0.756 1.000 0.533 CB 1.785 16 residues pruned to eliminate duplicates Z: 19 24.092 2.067 0.751 0.675 0.889 0.556 CB 1.502 19 residues pruned to eliminate duplicates Z: 23 25.320 2.006 0.702 0.717 0.864 0.500 CB 1.505 23 residues pruned to eliminate duplicates Z: 23 17.586 1.908 0.737 0.562 0.682 0.455 CB 1.562 23 residues pruned to eliminate duplicates Z: 25 29.180 1.955 0.787 0.668 1.000 0.583 CB 1.459 25 residues pruned to eliminate duplicates Z: 21 24.218 1.983 0.694 0.629 0.900 0.350 CA 1.587 21 residues pruned to eliminate duplicates Z: 21 31.087 2.053 0.910 0.764 0.900 0.600 CA 1.558 23 residues pruned to eliminate duplicates Z: 26 28.999 2.083 0.888 0.882 0.840 0.320 CB 1.271 26 residues pruned to eliminate duplicates Z: 21 34.157 2.093 1.133 0.753 0.850 0.400 CA 1.606 21 residues pruned to eliminate duplicates Z: 28 24.639 1.918 0.744 0.641 0.815 0.444 CB 1.524 28 residues pruned to eliminate duplicates Z: 23 32.218 1.986 1.028 0.723 0.909 0.364 CA 1.534 23 residues pruned to eliminate duplicates Z: 23 30.779 2.005 0.795 0.731 0.909 0.409 CB 1.629 23 residues pruned to eliminate duplicates Z: 24 27.317 2.003 1.057 0.664 0.870 0.348 CB 1.366 24 residues pruned to eliminate duplicates Z: 40 28.104 1.890 0.778 0.526 0.923 0.487 CB 1.414 65 residues pruned to eliminate duplicates Z: 22 22.855 1.974 0.888 0.774 0.810 0.429 CB 1.298 22 residues pruned to eliminate duplicates Z: 23 28.518 1.959 0.870 0.764 0.864 0.364 CB 1.520 23 residues pruned to eliminate duplicates Z: 12 23.527 2.137 0.781 0.773 0.909 0.727 CB 1.611 12 residues pruned to eliminate duplicates Z: 9 18.385 2.038 0.727 0.768 1.000 0.750 CB 1.457 9 residues pruned to eliminate duplicates Z: 12 18.709 2.193 0.529 0.729 0.909 0.727 CA 1.506 12 residues pruned to eliminate duplicates Z: 12 20.663 2.241 0.563 0.757 0.909 0.727 CA 1.556 12 residues pruned to eliminate duplicates Z: 19 15.732 1.927 0.663 0.578 0.833 0.444 CB 1.288 19 residues pruned to eliminate duplicates Z: 11 24.404 2.233 0.575 0.895 1.000 0.900 CA 1.573 11 residues pruned to eliminate duplicates Z: 11 21.228 2.197 0.618 0.794 1.000 0.800 CB 1.460 11 residues pruned to eliminate duplicates Z: 13 19.604 2.094 0.765 0.674 0.917 0.667 CA 1.423 13 residues pruned to eliminate duplicates Z: 11 26.719 2.215 0.862 0.889 0.900 0.900 CB 1.639 11 residues pruned to eliminate duplicates Z: 12 8.564 1.712 0.168 0.503 1.000 0.727 CA 1.288 12 residues pruned to eliminate duplicates Z: 11 7.091 1.600 0.352 0.513 0.800 0.300 CB 1.279 11 residues pruned to eliminate duplicates Z: 7 6.220 1.739 0.548 0.575 0.667 0.667 CB 1.316 7 residues pruned to eliminate duplicates Z: 9 6.323 1.790 0.275 0.605 0.875 0.625 CB 1.013 9 residues pruned to eliminate duplicates Z: 13 5.404 1.655 0.227 0.464 0.750 0.583 CB 1.062 13 residues pruned to eliminate duplicates Z: 24 12.984 1.845 0.431 0.461 0.913 0.565 CB 1.168 24 residues pruned to eliminate duplicates Z: 13 8.811 1.839 0.416 0.459 0.833 0.417 CB 1.223 13 residues pruned to eliminate duplicates Z: 23 11.818 1.845 0.366 0.481 0.864 0.545 CB 1.179 23 residues pruned to eliminate duplicates Z: 25 11.468 1.828 0.549 0.428 0.792 0.583 CB 1.125 25 residues pruned to eliminate duplicates Z: 25 11.502 1.793 0.402 0.484 0.875 0.500 CB 1.085 25 residues pruned to eliminate duplicates Z: 50 27.645 1.925 0.533 0.513 0.959 0.531 CB 1.378 60 residues pruned to eliminate duplicates Z: 8 2.589 1.244 0.271 0.308 0.714 0.429 N 1.073 8 residues pruned to eliminate duplicates Z: 8 3.856 1.774 0.530 0.232 0.571 0.286 CB 1.284 8 residues pruned to eliminate duplicates Z: 64 29.868 1.933 0.488 0.566 0.921 0.667 CB 1.333 69 residues pruned to eliminate duplicates Z: 7 3.149 1.702 0.679 0.191 0.667 0.333 CB 0.976 7 residues pruned to eliminate duplicates Z: 25 11.005 1.846 0.396 0.480 0.792 0.458 CB 1.124 25 residues pruned to eliminate duplicates Z: 24 10.455 1.816 0.400 0.397 0.826 0.478 CB 1.157 24 residues pruned to eliminate duplicates Z: 25 14.331 1.845 0.419 0.515 0.875 0.500 CB 1.258 24 residues pruned to eliminate duplicates Z: 7 10.883 1.842 0.770 0.488 1.000 0.500 CB 1.380 7 residues pruned to eliminate duplicates Z: 9 5.858 1.734 0.733 0.231 0.875 0.375 CB 1.078 6 residues pruned to eliminate duplicates Z: 18 17.141 1.879 0.369 0.726 0.941 0.706 CA 1.401 18 residues pruned to eliminate duplicates Z: 14 19.591 1.897 0.473 0.907 0.923 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 15 16.318 1.800 0.428 0.712 0.929 0.714 CB 1.508 15 residues pruned to eliminate duplicates Z: 20 16.411 1.797 0.426 0.706 0.947 0.684 CB 1.286 20 residues pruned to eliminate duplicates Z: 19 18.427 1.870 0.504 0.726 0.889 0.722 CB 1.417 19 residues pruned to eliminate duplicates Z: 17 18.434 1.739 0.521 0.821 0.938 0.688 CB 1.407 17 residues pruned to eliminate duplicates Z: 17 21.822 1.903 0.683 0.788 0.938 0.688 CB 1.411 16 residues pruned to eliminate duplicates Z: 16 20.859 1.798 0.602 0.814 1.000 0.667 CB 1.423 16 residues pruned to eliminate duplicates Z: 18 17.764 1.863 0.460 0.756 0.882 0.765 CA 1.428 18 residues pruned to eliminate duplicates Z: 18 19.345 1.867 0.484 0.752 0.941 0.647 CA 1.436 18 residues pruned to eliminate duplicates Z: 19 19.790 1.851 0.543 0.682 1.000 0.611 CB 1.382 19 residues pruned to eliminate duplicates Z: 14 23.890 1.958 0.551 0.890 1.000 0.769 CB 1.570 14 residues pruned to eliminate duplicates Z: 21 16.348 1.808 0.639 0.631 0.850 0.500 CB 1.283 21 residues pruned to eliminate duplicates Z: 19 17.917 1.844 0.561 0.668 0.944 0.667 CB 1.330 19 residues pruned to eliminate duplicates Z: 18 26.540 1.888 0.744 0.777 1.000 0.647 CA 1.531 19 residues pruned to eliminate duplicates Z: 8 12.689 1.882 0.263 0.855 1.000 0.714 CB 1.490 8 residues pruned to eliminate duplicates Z: 9 12.294 1.765 0.552 0.748 0.875 0.625 CB 1.453 10 residues pruned to eliminate duplicates Z: 9 11.944 1.762 0.447 0.823 1.000 0.500 CB 1.251 9 residues pruned to eliminate duplicates Z: 9 10.906 1.739 0.496 0.734 0.875 0.750 CB 1.373 9 residues pruned to eliminate duplicates Z: 9 5.540 1.667 0.534 0.401 0.750 0.375 CB 1.133 9 residues pruned to eliminate duplicates Z: 8 15.272 1.886 0.651 0.863 1.000 0.714 CB 1.361 8 residues pruned to eliminate duplicates Z: 13 20.827 2.145 0.310 0.795 1.000 0.833 CA 1.652 10 residues pruned to eliminate duplicates Z: 15 14.952 1.953 0.332 0.602 0.929 0.571 CA 1.502 15 residues pruned to eliminate duplicates Z: 13 18.641 2.128 0.214 0.750 1.000 0.667 CB 1.666 13 residues pruned to eliminate duplicates Z: 10 16.211 2.123 0.218 0.816 1.000 0.778 CA 1.587 10 residues pruned to eliminate duplicates Z: 15 12.161 1.987 0.096 0.638 0.786 0.714 CB 1.668 15 residues pruned to eliminate duplicates Z: 14 17.228 2.048 0.179 0.707 1.000 0.692 CB 1.640 14 residues pruned to eliminate duplicates Z: 15 12.781 1.977 0.102 0.661 0.857 0.643 CB 1.576 15 residues pruned to eliminate duplicates Z: 16 13.361 1.946 0.312 0.571 0.867 0.467 CB 1.456 16 residues pruned to eliminate duplicates Z: 13 16.446 2.034 0.204 0.718 0.917 0.667 CB 1.737 13 residues pruned to eliminate duplicates Z: 13 15.619 2.018 0.305 0.659 0.917 0.750 CB 1.610 13 residues pruned to eliminate duplicates Z: 16 18.345 1.809 0.636 0.677 1.000 0.800 CA 1.361 14 residues pruned to eliminate duplicates Z: 10 15.754 2.094 0.425 0.825 1.000 0.667 CA 1.329 10 residues pruned to eliminate duplicates Z: 31 14.713 2.017 0.325 0.456 0.833 0.533 CB 1.262 39 residues pruned to eliminate duplicates Z: 12 11.134 2.016 0.007 0.808 0.909 0.727 CB 1.391 12 residues pruned to eliminate duplicates Z: 17 15.574 2.051 0.425 0.626 0.875 0.812 CB 1.352 17 residues pruned to eliminate duplicates Z: 10 16.400 2.269 0.443 0.707 0.889 0.667 CA 1.556 10 residues pruned to eliminate duplicates Z: 11 18.557 2.290 0.420 0.759 0.900 0.800 CB 1.593 11 residues pruned to eliminate duplicates Z: 29 25.177 2.150 0.527 0.650 0.929 0.643 CB 1.357 29 residues pruned to eliminate duplicates Z: 37 21.869 2.043 0.494 0.588 0.833 0.611 CB 1.317 37 residues pruned to eliminate duplicates Z: 18 16.943 2.047 0.382 0.574 0.941 0.529 CB 1.437 18 residues pruned to eliminate duplicates Z: 18 16.981 1.921 0.458 0.647 1.000 0.471 CB 1.282 18 residues pruned to eliminate duplicates Z: 32 28.063 2.213 0.649 0.535 0.871 0.484 CB 1.532 49 residues pruned to eliminate duplicates Z: 30 18.673 2.188 0.548 0.412 0.862 0.483 CB 1.302 30 residues pruned to eliminate duplicates Z: 19 15.097 2.157 0.677 0.479 0.833 0.611 CB 1.205 19 residues pruned to eliminate duplicates Z: 29 19.633 2.238 0.437 0.443 0.821 0.536 CB 1.489 29 residues pruned to eliminate duplicates Z: 20 11.151 2.107 0.408 0.407 0.737 0.474 CB 1.290 20 residues pruned to eliminate duplicates Z: 29 30.216 2.325 0.623 0.561 0.964 0.643 CB 1.478 29 residues pruned to eliminate duplicates Z: 9 8.588 2.028 0.529 0.527 0.750 0.500 CB 1.272 9 residues pruned to eliminate duplicates Z: 26 19.316 2.218 0.302 0.469 0.920 0.600 CB 1.500 26 residues pruned to eliminate duplicates Z: 33 24.604 2.144 0.588 0.451 0.906 0.562 CB 1.482 33 residues pruned to eliminate duplicates Z: 31 28.162 2.237 0.573 0.513 0.900 0.600 CB 1.603 31 residues pruned to eliminate duplicates Z: 6 2.977 1.631 0.883 0.247 0.600 0.400 CA 0.968 6 residues pruned to eliminate duplicates Z: 31 27.050 2.263 0.472 0.530 0.900 0.667 CB 1.600 31 residues pruned to eliminate duplicates Z: 33 24.792 2.188 0.683 0.482 0.844 0.531 CB 1.436 33 residues pruned to eliminate duplicates Z: 32 26.030 2.211 0.492 0.525 0.903 0.484 CB 1.532 32 residues pruned to eliminate duplicates Z: 30 33.087 2.271 0.763 0.548 0.966 0.586 CB 1.516 31 residues pruned to eliminate duplicates Z: 9 28.213 2.309 1.011 0.854 1.000 0.750 CB 1.587 9 residues pruned to eliminate duplicates Z: 33 26.497 2.215 0.638 0.506 0.875 0.500 CB 1.466 33 residues pruned to eliminate duplicates Z: 30 27.173 2.300 0.622 0.514 0.897 0.586 CB 1.487 30 residues pruned to eliminate duplicates Z: 32 24.481 2.233 0.624 0.516 0.806 0.419 CB 1.479 32 residues pruned to eliminate duplicates Z: 31 28.547 2.225 0.802 0.535 0.867 0.400 CB 1.448 31 residues pruned to eliminate duplicates Z: 71 41.764 2.142 0.758 0.623 0.886 0.629 CB 1.332 91 residues pruned to eliminate duplicates Z: 14 24.458 2.158 0.719 0.659 0.923 0.538 CA 1.708 14 residues pruned to eliminate duplicates Z: 20 18.486 2.097 0.647 0.495 0.895 0.632 CB 1.379 20 residues pruned to eliminate duplicates Z: 33 50.770 2.308 1.125 0.727 0.906 0.688 CB 1.645 33 residues pruned to eliminate duplicates Z: 40 54.163 2.240 1.030 0.716 0.949 0.667 CB 1.653 46 residues pruned to eliminate duplicates Z: 27 25.553 1.895 0.611 0.885 0.962 0.885 CB 1.233 27 residues pruned to eliminate duplicates Z: 17 15.051 1.995 0.618 0.675 0.812 0.562 CB 1.221 17 residues pruned to eliminate duplicates Z: 28 34.586 2.250 0.845 0.593 0.889 0.704 CB 1.651 28 residues pruned to eliminate duplicates Z: 30 47.158 2.284 1.100 0.667 0.897 0.621 CB 1.745 30 residues pruned to eliminate duplicates Z: 31 41.604 2.287 0.830 0.702 0.933 0.600 CB 1.618 31 residues pruned to eliminate duplicates Z: 50 44.913 2.126 0.667 0.735 0.939 0.735 CB 1.561 40 residues pruned to eliminate duplicates Z: 7 4.743 1.712 0.519 0.741 1.000 0.667 CA 0.600 7 residues pruned to eliminate duplicates Z: 37 46.634 2.184 0.906 0.728 0.917 0.750 CB 1.659 37 residues pruned to eliminate duplicates Z: 36 45.690 2.270 0.838 0.711 0.886 0.686 CB 1.726 36 residues pruned to eliminate duplicates Z: 32 38.304 2.237 0.738 0.652 0.903 0.774 CB 1.700 32 residues pruned to eliminate duplicates Z: 37 47.386 2.240 0.939 0.675 0.889 0.806 CB 1.742 37 residues pruned to eliminate duplicates Z: 38 45.405 2.234 0.907 0.673 0.892 0.757 CB 1.674 38 residues pruned to eliminate duplicates Z: 29 41.293 2.301 0.869 0.723 0.857 0.786 CB 1.731 29 residues pruned to eliminate duplicates Z: 31 42.823 2.299 0.730 0.662 0.933 0.667 CB 1.811 31 residues pruned to eliminate duplicates Z: 35 40.290 2.188 0.824 0.660 0.882 0.588 CA 1.691 35 residues pruned to eliminate duplicates Z: 36 48.826 2.285 0.876 0.711 0.886 0.743 CB 1.794 36 residues pruned to eliminate duplicates Z: 45 50.299 2.178 0.928 0.691 0.909 0.727 CB 1.669 45 residues pruned to eliminate duplicates Z: 31 38.709 2.277 0.810 0.637 0.933 0.567 CB 1.616 31 residues pruned to eliminate duplicates Z: 49 45.308 2.112 0.781 0.748 0.917 0.646 CB 1.520 49 residues pruned to eliminate duplicates Z: 32 48.021 2.273 0.918 0.722 0.935 0.677 CA 1.731 39 residues pruned to eliminate duplicates Z: 41 49.331 2.119 0.747 0.861 0.975 0.800 CA 1.588 41 residues pruned to eliminate duplicates Z: 29 46.391 2.314 0.942 0.708 0.929 0.679 CB 1.740 29 residues pruned to eliminate duplicates Z: 36 47.376 2.244 1.076 0.691 0.857 0.514 CB 1.685 36 residues pruned to eliminate duplicates Z: 37 52.381 2.272 1.081 0.744 0.917 0.556 CB 1.619 38 residues pruned to eliminate duplicates Z: 26 28.770 1.966 0.730 0.897 0.960 0.800 CB 1.261 26 residues pruned to eliminate duplicates Z: 17 20.853 1.816 0.736 0.688 1.000 0.500 CB 1.393 17 residues pruned to eliminate duplicates Z: 22 18.657 1.811 0.680 0.686 0.905 0.667 CB 1.247 22 residues pruned to eliminate duplicates Z: 42 52.414 2.190 1.031 0.763 0.927 0.512 CB 1.573 42 residues pruned to eliminate duplicates Z: 46 52.429 2.165 1.025 0.746 0.933 0.556 CB 1.533 46 residues pruned to eliminate duplicates Z: 17 19.954 1.888 0.717 0.881 0.812 0.625 CB 1.371 17 residues pruned to eliminate duplicates Z: 45 45.497 2.135 1.022 0.687 0.886 0.432 CB 1.510 45 residues pruned to eliminate duplicates Z: 10 8.707 1.545 0.667 0.667 0.889 0.778 CB 1.086 10 residues pruned to eliminate duplicates Z: 15 14.686 1.839 0.933 0.770 0.786 0.429 CB 1.106 15 residues pruned to eliminate duplicates Z: 19 19.777 1.893 0.940 0.782 0.889 0.556 CB 1.114 19 residues pruned to eliminate duplicates Z: 19 14.458 1.921 0.627 0.711 0.778 0.389 CB 1.158 19 residues pruned to eliminate duplicates Z: 46 47.534 2.125 1.072 0.739 0.933 0.444 CB 1.391 46 residues pruned to eliminate duplicates Z: 21 20.013 1.859 0.881 0.719 0.850 0.350 CB 1.235 21 residues pruned to eliminate duplicates Z: 6 2.003 1.524 -0.013 0.382 0.600 0.600 N 1.126 6 residues pruned to eliminate duplicates Z: 12 5.122 1.648 0.550 0.438 0.727 0.273 CB 0.886 12 residues pruned to eliminate duplicates Z: 11 7.532 1.669 0.400 0.479 0.900 0.100 CB 1.156 12 residues pruned to eliminate duplicates Z: 12 11.243 1.647 0.311 0.838 1.000 0.636 CB 1.173 11 residues pruned to eliminate duplicates Z: 13 6.021 1.551 0.246 0.760 0.917 0.333 CB 0.778 13 residues pruned to eliminate duplicates Z: 10 9.231 1.665 0.549 0.849 1.000 0.667 CB 0.885 10 residues pruned to eliminate duplicates Z: 8 7.026 1.566 0.582 0.819 0.857 0.429 CB 0.948 8 residues pruned to eliminate duplicates Z: 13 18.017 1.917 0.471 0.823 1.000 0.417 CA 1.394 13 residues pruned to eliminate duplicates Z: 13 18.275 1.947 0.510 0.724 1.000 0.417 CB 1.466 13 residues pruned to eliminate duplicates Z: 13 20.186 2.038 0.517 0.786 1.000 0.583 CB 1.466 13 residues pruned to eliminate duplicates Z: 18 14.429 1.913 0.486 0.610 0.941 0.412 CB 1.179 18 residues pruned to eliminate duplicates Z: 13 18.315 2.006 0.689 0.823 0.917 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 14 12.676 1.937 0.481 0.682 0.923 0.462 CB 1.123 14 residues pruned to eliminate duplicates Z: 15 15.187 1.822 0.627 0.758 0.929 0.571 CB 1.172 15 residues pruned to eliminate duplicates Z: 15 14.239 1.859 0.582 0.715 0.857 0.500 CB 1.243 15 residues pruned to eliminate duplicates Z: 14 16.459 1.920 0.656 0.814 0.846 0.538 CB 1.291 14 residues pruned to eliminate duplicates Z: 13 17.997 1.951 0.694 0.848 0.917 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 6.045 1.819 0.214 0.324 0.812 0.562 CB 1.023 17 residues pruned to eliminate duplicates Z: 7 3.990 1.617 0.326 0.420 0.833 0.500 CA 0.991 7 residues pruned to eliminate duplicates Z: 9 6.937 1.778 0.403 0.555 1.000 0.750 CB 0.932 9 residues pruned to eliminate duplicates Z: 10 5.652 1.826 0.421 0.423 1.000 0.444 CB 0.787 10 residues pruned to eliminate duplicates Z: 22 15.135 1.815 0.371 0.651 0.810 0.619 CB 1.424 22 residues pruned to eliminate duplicates Z: 15 19.588 2.043 0.345 0.823 0.929 0.714 CA 1.551 15 residues pruned to eliminate duplicates Z: 16 20.635 1.995 0.384 0.808 0.933 0.600 CA 1.580 16 residues pruned to eliminate duplicates Z: 17 17.642 1.916 0.383 0.784 0.875 0.812 CA 1.481 17 residues pruned to eliminate duplicates Z: 18 16.738 1.920 0.333 0.712 0.824 0.529 CA 1.588 18 residues pruned to eliminate duplicates Z: 17 17.948 1.947 0.360 0.738 0.875 0.625 CA 1.563 17 residues pruned to eliminate duplicates Z: 24 18.591 1.758 0.483 0.591 0.957 0.609 CB 1.426 24 residues pruned to eliminate duplicates Z: 19 12.147 1.827 0.303 0.701 0.722 0.444 CB 1.386 19 residues pruned to eliminate duplicates Z: 20 20.327 1.826 0.437 0.767 1.000 0.632 CB 1.403 20 residues pruned to eliminate duplicates Z: 16 17.625 1.950 0.482 0.776 0.800 0.333 CB 1.542 16 residues pruned to eliminate duplicates Z: 24 16.743 1.738 0.481 0.659 0.913 0.522 CB 1.281 24 residues pruned to eliminate duplicates Z: 24 21.716 1.769 0.515 0.685 1.000 0.609 CB 1.426 18 residues pruned to eliminate duplicates Z: 16 23.145 1.950 0.573 0.865 0.933 0.733 CB 1.529 16 residues pruned to eliminate duplicates Z: 10 12.420 1.987 0.334 0.805 0.889 0.556 CB 1.347 Z: 11 11.768 1.973 0.171 0.830 1.000 0.700 CB 1.211 10 residues pruned to eliminate duplicates Z: 11 9.293 1.980 -0.005 0.849 0.800 0.700 CB 1.382 11 residues pruned to eliminate duplicates Z: 9 7.355 1.855 0.300 0.772 0.750 0.500 CB 1.131 9 residues pruned to eliminate duplicates Z: 11 8.437 1.866 0.020 0.622 0.900 0.500 CA 1.388 10 residues pruned to eliminate duplicates Z: 11 12.985 1.947 0.341 0.856 0.900 0.700 CB 1.289 11 residues pruned to eliminate duplicates Z: 12 13.730 1.898 0.303 0.813 1.000 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 35 34.943 1.993 0.742 0.747 0.941 0.471 CB 1.471 33 residues pruned to eliminate duplicates Z: 13 11.239 1.848 0.193 0.843 1.000 0.583 CB 1.095 12 residues pruned to eliminate duplicates Z: 12 12.115 1.905 0.362 0.858 0.909 0.545 CB 1.140 12 residues pruned to eliminate duplicates Z: 10 16.002 1.938 0.475 0.842 1.000 0.889 CB 1.390 10 residues pruned to eliminate duplicates Z: 15 13.301 1.753 0.857 0.618 0.786 0.786 CB 1.243 15 residues pruned to eliminate duplicates Z: 15 15.897 1.694 0.877 0.746 0.929 0.643 CB 1.155 15 residues pruned to eliminate duplicates Z: 14 19.156 1.832 0.497 0.914 1.000 1.000 CB 1.370 14 residues pruned to eliminate duplicates Z: 15 16.651 1.773 0.657 0.768 0.857 0.643 CB 1.394 15 residues pruned to eliminate duplicates Z: 13 18.618 1.875 0.923 0.722 0.917 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 15 13.559 1.732 0.688 0.611 0.857 0.643 N 1.302 15 residues pruned to eliminate duplicates Z: 14 14.656 1.785 0.912 0.698 0.769 0.538 N 1.293 14 residues pruned to eliminate duplicates Z: 14 18.462 1.702 1.065 0.759 0.923 0.462 CB 1.253 14 residues pruned to eliminate duplicates Z: 15 17.812 1.752 0.485 0.771 1.000 0.571 CB 1.439 13 residues pruned to eliminate duplicates Z: 14 19.838 1.814 0.435 0.921 1.000 1.000 CB 1.488 14 residues pruned to eliminate duplicates Z: 23 17.622 1.850 0.577 0.639 0.955 0.591 CB 1.185 26 residues pruned to eliminate duplicates Z: 7 6.856 1.488 0.515 0.784 1.000 0.667 CB 0.968 6 residues pruned to eliminate duplicates Z: 8 8.966 1.581 0.648 0.766 1.000 0.714 CB 1.027 8 residues pruned to eliminate duplicates Z: 16 9.558 1.698 0.395 0.751 0.933 0.600 CB 0.893 16 residues pruned to eliminate duplicates Z: 14 7.093 1.705 -0.065 0.796 0.923 0.692 CB 1.031 14 residues pruned to eliminate duplicates Z: 13 6.177 1.648 0.305 0.729 0.917 0.500 CB 0.735 13 residues pruned to eliminate duplicates Z: 17 10.779 1.612 0.273 0.676 0.938 0.750 CB 1.191 17 residues pruned to eliminate duplicates Z: 19 12.354 1.643 0.439 0.843 0.944 0.667 CB 0.971 19 residues pruned to eliminate duplicates Z: 16 8.976 1.630 0.311 0.779 0.933 0.667 CB 0.909 16 residues pruned to eliminate duplicates Z: 15 7.773 1.596 0.142 0.801 0.857 0.714 CB 1.022 15 residues pruned to eliminate duplicates Z: 20 13.779 1.707 0.393 0.849 0.947 0.789 CB 1.040 20 residues pruned to eliminate duplicates Z: 18 9.994 1.643 0.469 0.837 1.000 0.529 CB 0.751 18 residues pruned to eliminate duplicates Z: 18 11.397 1.644 0.484 0.837 1.000 0.647 CB 0.848 18 residues pruned to eliminate duplicates Z: 9 6.660 1.708 0.322 0.867 1.000 0.875 CB 0.762 9 residues pruned to eliminate duplicates Z: 11 12.940 1.758 0.434 0.845 1.000 0.600 CB 1.207 12 residues pruned to eliminate duplicates Z: 16 13.975 1.672 0.638 0.911 0.933 0.467 CB 1.001 15 residues pruned to eliminate duplicates Z: 13 10.944 1.723 0.359 0.877 0.917 0.750 CB 1.068 13 residues pruned to eliminate duplicates Z: 17 10.571 1.652 0.555 0.800 0.875 0.625 CB 0.904 17 residues pruned to eliminate duplicates Z: 10 8.556 1.754 0.592 0.485 0.778 0.222 CB 1.333 10 residues pruned to eliminate duplicates Z: 14 12.739 1.579 0.804 0.817 0.923 0.231 CB 1.020 14 residues pruned to eliminate duplicates Z: 6 7.965 1.787 0.466 0.650 0.800 0.200 CA 1.478 6 residues pruned to eliminate duplicates Z: 15 17.443 2.036 0.429 0.640 0.929 0.500 CB 1.513 15 residues pruned to eliminate duplicates Z: 15 17.812 2.052 0.468 0.656 1.000 0.500 CB 1.367 15 residues pruned to eliminate duplicates Z: 17 15.638 1.945 0.438 0.609 0.875 0.500 CB 1.440 17 residues pruned to eliminate duplicates Z: 13 18.479 2.247 0.593 0.748 0.833 0.583 CB 1.432 13 residues pruned to eliminate duplicates Z: 15 15.550 2.076 0.507 0.648 0.929 0.500 CB 1.246 15 residues pruned to eliminate duplicates Z: 15 15.392 2.065 0.608 0.586 0.786 0.286 CB 1.451 15 residues pruned to eliminate duplicates Z: 15 14.093 2.127 0.353 0.643 0.857 0.500 CB 1.337 15 residues pruned to eliminate duplicates Z: 14 15.750 2.135 0.435 0.655 0.846 0.538 CB 1.459 14 residues pruned to eliminate duplicates Z: 17 14.103 1.944 0.474 0.595 0.812 0.438 CB 1.384 17 residues pruned to eliminate duplicates Z: 13 22.801 2.282 0.608 0.711 0.917 0.583 CB 1.616 13 residues pruned to eliminate duplicates Z: 14 26.626 2.123 0.792 0.845 0.923 0.615 CB 1.563 14 residues pruned to eliminate duplicates Z: 26 20.735 1.930 0.639 0.601 0.920 0.440 CB 1.294 26 residues pruned to eliminate duplicates Z: 16 23.499 2.059 0.712 0.696 0.933 0.667 CB 1.542 16 residues pruned to eliminate duplicates Z: 18 15.792 1.757 0.573 0.608 0.941 0.529 N 1.329 18 residues pruned to eliminate duplicates Z: 6 5.553 1.473 0.383 0.534 1.000 0.600 CB 1.178 Z: 7 5.109 1.323 0.597 0.518 1.000 0.667 CB 0.970 Z: 10 18.686 1.987 0.696 0.773 1.000 0.889 CB 1.451 10 residues pruned to eliminate duplicates Z: 11 16.429 2.057 0.742 0.626 0.900 0.400 CB 1.430 11 residues pruned to eliminate duplicates Z: 24 18.401 1.849 0.718 0.513 0.870 0.522 CB 1.371 24 residues pruned to eliminate duplicates Z: 13 12.799 1.869 0.669 0.555 0.833 0.250 CB 1.348 13 residues pruned to eliminate duplicates Z: 11 17.606 2.040 0.685 0.665 0.900 0.500 CB 1.545 11 residues pruned to eliminate duplicates Z: 7 15.540 1.925 0.690 0.880 1.000 1.000 CB 1.413 8 residues pruned to eliminate duplicates Z: 9 10.869 1.631 0.635 0.834 0.875 0.500 CB 1.235 9 residues pruned to eliminate duplicates Z: 11 14.072 1.735 0.596 0.698 0.900 0.600 CB 1.491 11 residues pruned to eliminate duplicates Z: 39 27.891 1.990 0.455 0.608 0.947 0.684 CB 1.489 39 residues pruned to eliminate duplicates Z: 28 32.165 2.065 0.761 0.644 0.963 0.667 CB 1.546 28 residues pruned to eliminate duplicates Z: 37 22.685 1.934 0.511 0.510 0.972 0.694 CB 1.318 37 residues pruned to eliminate duplicates Z: 26 26.522 2.077 0.530 0.653 0.920 0.800 CB 1.574 26 residues pruned to eliminate duplicates Z: 28 27.522 2.075 0.660 0.635 0.889 0.778 CB 1.524 28 residues pruned to eliminate duplicates Z: 30 24.968 2.020 0.618 0.591 0.897 0.621 CB 1.450 30 residues pruned to eliminate duplicates Z: 40 29.429 1.972 0.498 0.644 0.949 0.744 CB 1.469 40 residues pruned to eliminate duplicates Z: 34 27.103 1.915 0.684 0.564 0.970 0.636 CB 1.418 34 residues pruned to eliminate duplicates Z: 32 22.526 1.953 0.577 0.537 0.935 0.484 CB 1.354 32 residues pruned to eliminate duplicates Z: 29 27.857 2.041 0.717 0.615 0.929 0.643 CB 1.450 29 residues pruned to eliminate duplicates Z: 43 30.381 1.951 0.579 0.576 0.976 0.619 CB 1.448 43 residues pruned to eliminate duplicates Z: 28 27.759 2.063 0.687 0.601 0.926 0.704 CB 1.506 28 residues pruned to eliminate duplicates Z: 34 24.784 1.962 0.580 0.573 0.939 0.788 CB 1.381 34 residues pruned to eliminate duplicates Z: 29 28.104 2.052 0.680 0.606 0.929 0.679 CB 1.500 29 residues pruned to eliminate duplicates Z: 33 24.131 1.961 0.575 0.552 0.938 0.625 CB 1.400 33 residues pruned to eliminate duplicates Z: 40 25.507 1.950 0.413 0.611 0.949 0.744 CB 1.407 40 residues pruned to eliminate duplicates Z: 41 34.725 1.950 0.719 0.660 0.975 0.650 CB 1.448 41 residues pruned to eliminate duplicates Z: 33 24.535 1.957 0.719 0.559 0.938 0.500 CB 1.299 33 residues pruned to eliminate duplicates Z: 32 27.007 1.998 0.794 0.581 0.935 0.452 CB 1.339 32 residues pruned to eliminate duplicates Z: 30 23.289 2.013 0.701 0.557 0.862 0.448 CB 1.386 30 residues pruned to eliminate duplicates Z: 26 14.999 1.911 0.455 0.438 0.800 0.400 N 1.438 26 residues pruned to eliminate duplicates Z: 25 20.062 1.906 0.694 0.501 0.958 0.500 CB 1.323 25 residues pruned to eliminate duplicates Z: 29 26.753 2.026 0.636 0.601 0.964 0.607 CB 1.437 29 residues pruned to eliminate duplicates Z: 29 26.618 2.035 0.731 0.617 0.893 0.643 CB 1.432 29 residues pruned to eliminate duplicates Z: 32 27.775 1.979 0.804 0.582 0.935 0.548 CB 1.380 32 residues pruned to eliminate duplicates Z: 40 30.963 1.965 0.585 0.621 0.974 0.667 CB 1.457 40 residues pruned to eliminate duplicates Z: 25 20.149 1.874 0.511 0.527 1.000 0.750 CB 1.414 25 residues pruned to eliminate duplicates Z: 35 21.592 1.855 0.589 0.533 0.912 0.559 CB 1.334 35 residues pruned to eliminate duplicates Z: 40 30.388 1.965 0.617 0.601 0.949 0.667 CB 1.467 40 residues pruned to eliminate duplicates Z: 41 30.229 1.952 0.682 0.620 0.925 0.625 CB 1.405 41 residues pruned to eliminate duplicates Z: 16 16.484 1.678 0.485 0.807 1.000 0.800 CB 1.307 16 residues pruned to eliminate duplicates Z: 17 15.413 1.738 0.439 0.841 0.938 0.875 CB 1.226 17 residues pruned to eliminate duplicates Z: 21 15.377 1.606 0.619 0.845 0.950 0.600 CB 1.035 20 residues pruned to eliminate duplicates Z: 20 19.829 1.672 0.681 0.886 0.947 0.632 CB 1.232 20 residues pruned to eliminate duplicates Z: 17 20.029 1.730 0.614 0.856 0.938 0.688 CB 1.411 20 residues pruned to eliminate duplicates Z: 12 16.714 1.737 0.717 0.871 1.000 0.636 CB 1.232 11 residues pruned to eliminate duplicates Z: 11 17.438 1.825 0.722 0.879 0.900 0.700 CB 1.414 11 residues pruned to eliminate duplicates Z: 34 26.476 1.924 0.467 0.582 0.970 0.667 CB 1.557 37 residues pruned to eliminate duplicates Z: 13 17.588 1.882 0.750 0.736 0.917 0.667 CB 1.361 13 residues pruned to eliminate duplicates Z: 12 14.946 2.010 0.528 0.573 0.909 0.636 CB 1.505 12 residues pruned to eliminate duplicates Z: 10 17.519 2.099 0.462 0.653 1.000 0.667 CA 1.651 10 residues pruned to eliminate duplicates Z: 11 18.711 2.099 0.641 0.577 1.000 0.800 CA 1.594 14 residues pruned to eliminate duplicates Z: 15 20.564 1.872 0.576 0.833 1.000 0.643 CB 1.398 15 residues pruned to eliminate duplicates Z: 22 17.126 1.953 0.458 0.574 0.810 0.524 CB 1.510 22 residues pruned to eliminate duplicates Z: 23 14.082 1.911 0.210 0.468 0.864 0.500 CB 1.552 22 residues pruned to eliminate duplicates Z: 12 13.399 1.944 0.247 0.745 0.909 0.636 CB 1.472 12 residues pruned to eliminate duplicates Z: 6 9.550 1.831 0.388 0.698 1.000 0.800 CB 1.402 6 residues pruned to eliminate duplicates Z: 13 11.312 1.849 0.518 0.504 0.917 0.500 CB 1.264 13 residues pruned to eliminate duplicates Z: 33 24.954 2.002 0.429 0.634 0.906 0.500 CB 1.500 33 residues pruned to eliminate duplicates Z: 35 21.217 1.881 0.374 0.578 0.912 0.647 CB 1.434 35 residues pruned to eliminate duplicates Z: 21 24.732 2.045 0.572 0.605 0.950 0.600 CB 1.639 22 residues pruned to eliminate duplicates Z: 15 26.659 1.960 0.569 0.921 1.000 0.786 CB 1.631 15 residues pruned to eliminate duplicates Z: 17 21.607 1.920 0.448 0.810 0.938 0.562 CB 1.581 17 residues pruned to eliminate duplicates Z: 17 20.203 1.936 0.569 0.785 0.875 0.562 CB 1.478 17 residues pruned to eliminate duplicates Z: 18 23.169 1.976 0.557 0.747 0.941 0.529 CB 1.557 18 residues pruned to eliminate duplicates Z: 17 23.816 1.968 0.562 0.795 0.938 0.625 CA 1.596 17 residues pruned to eliminate duplicates Z: 17 25.369 1.983 0.574 0.812 0.938 0.750 CA 1.652 16 residues pruned to eliminate duplicates Z: 15 24.823 1.989 0.589 0.877 0.929 0.500 CB 1.642 15 residues pruned to eliminate duplicates Z: 16 26.124 1.973 0.590 0.884 0.933 0.533 CA 1.664 16 residues pruned to eliminate duplicates Z: 17 23.586 1.974 0.540 0.810 0.938 0.812 CA 1.579 17 residues pruned to eliminate duplicates Z: 13 29.435 2.118 0.614 0.928 1.000 0.917 CB 1.741 13 residues pruned to eliminate duplicates Z: 17 20.382 1.983 0.562 0.803 0.938 0.625 CB 1.347 17 residues pruned to eliminate duplicates Z: 16 27.018 2.013 0.668 0.855 1.000 0.667 CB 1.533 16 residues pruned to eliminate duplicates Z: 15 28.418 1.960 0.735 0.878 1.000 0.857 CB 1.621 15 residues pruned to eliminate duplicates Z: 32 24.883 2.119 0.481 0.581 0.935 0.710 CB 1.408 32 residues pruned to eliminate duplicates Z: 33 27.462 2.090 0.692 0.591 0.969 0.656 CB 1.299 33 residues pruned to eliminate duplicates Z: 28 26.532 2.153 0.646 0.624 0.926 0.741 CB 1.384 28 residues pruned to eliminate duplicates Z: 47 30.014 2.115 0.451 0.626 0.891 0.761 CB 1.437 46 residues pruned to eliminate duplicates Z: 15 18.955 1.880 0.606 0.811 1.000 0.643 CB 1.280 15 residues pruned to eliminate duplicates Z: 29 27.261 2.158 0.638 0.635 0.893 0.714 CB 1.438 30 residues pruned to eliminate duplicates Z: 13 24.798 2.110 0.711 0.897 1.000 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 33 24.208 2.110 0.524 0.554 0.906 0.500 CB 1.393 33 residues pruned to eliminate duplicates Z: 67 38.200 2.103 0.415 0.655 0.955 0.667 CB 1.433 67 residues pruned to eliminate duplicates Z: 31 22.683 2.154 0.470 0.557 0.867 0.500 CB 1.427 31 residues pruned to eliminate duplicates Z: 30 30.785 2.167 0.692 0.651 0.966 0.586 CB 1.403 36 residues pruned to eliminate duplicates Z: 14 27.607 1.976 0.931 0.900 1.000 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 30 28.933 2.132 0.666 0.619 0.931 0.690 CB 1.452 30 residues pruned to eliminate duplicates Z: 51 33.824 2.063 0.511 0.609 0.940 0.680 CB 1.472 53 residues pruned to eliminate duplicates Z: 14 22.835 2.185 0.711 0.845 1.000 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 30 28.397 2.166 0.523 0.631 0.931 0.759 CB 1.517 30 residues pruned to eliminate duplicates Z: 31 25.128 2.152 0.542 0.606 0.900 0.633 CB 1.389 31 residues pruned to eliminate duplicates Z: 44 32.587 2.106 0.607 0.590 0.907 0.651 CB 1.486 44 residues pruned to eliminate duplicates Z: 29 29.869 2.178 0.651 0.651 0.929 0.464 CB 1.469 29 residues pruned to eliminate duplicates Z: 29 29.492 2.176 0.710 0.624 0.893 0.607 CB 1.492 29 residues pruned to eliminate duplicates Z: 31 25.653 2.102 0.580 0.551 0.933 0.567 CB 1.438 31 residues pruned to eliminate duplicates Z: 45 32.148 2.121 0.531 0.642 0.909 0.614 CB 1.438 45 residues pruned to eliminate duplicates Z: 28 29.483 2.185 0.691 0.657 0.926 0.556 CB 1.433 28 residues pruned to eliminate duplicates Z: 28 32.406 2.189 0.747 0.632 0.963 0.704 CB 1.496 28 residues pruned to eliminate duplicates Z: 46 34.288 2.068 0.539 0.613 0.933 0.556 CB 1.546 46 residues pruned to eliminate duplicates Z: 58 36.748 2.090 0.492 0.671 0.912 0.614 CB 1.462 58 residues pruned to eliminate duplicates Z: 31 25.874 2.129 0.625 0.578 0.900 0.533 CB 1.407 31 residues pruned to eliminate duplicates Z: 32 26.840 2.092 0.613 0.578 0.935 0.452 CB 1.417 32 residues pruned to eliminate duplicates Z: 47 33.261 2.131 0.545 0.626 0.913 0.674 CB 1.449 47 residues pruned to eliminate duplicates Z: 58 37.313 2.102 0.487 0.652 0.912 0.667 CB 1.504 58 residues pruned to eliminate duplicates Z: 60 34.488 2.069 0.460 0.619 0.915 0.593 CB 1.451 60 residues pruned to eliminate duplicates Z: 14 17.652 2.106 0.427 0.665 0.923 0.615 CB 1.515 14 residues pruned to eliminate duplicates Z: 28 23.099 2.056 0.217 0.742 0.963 0.630 CB 1.486 28 residues pruned to eliminate duplicates Z: 57 39.811 2.093 0.531 0.678 0.964 0.661 CB 1.462 57 residues pruned to eliminate duplicates Z: 57 36.732 2.122 0.467 0.663 0.929 0.643 CB 1.460 57 residues pruned to eliminate duplicates Z: 58 38.088 2.098 0.596 0.639 0.895 0.579 CB 1.478 58 residues pruned to eliminate duplicates Z: 58 39.416 2.104 0.570 0.673 0.930 0.579 CB 1.450 58 residues pruned to eliminate duplicates Z: 62 34.716 2.043 0.511 0.653 0.902 0.508 CB 1.385 62 residues pruned to eliminate duplicates Z: 26 28.747 2.096 0.515 0.803 0.960 0.760 CB 1.447 26 residues pruned to eliminate duplicates Z: 56 42.570 2.136 0.616 0.678 0.927 0.673 CB 1.522 56 residues pruned to eliminate duplicates Z: 69 41.160 2.084 0.570 0.661 0.912 0.618 CB 1.441 69 residues pruned to eliminate duplicates Z: 57 39.622 2.104 0.652 0.662 0.911 0.607 CB 1.439 57 residues pruned to eliminate duplicates Z: 68 38.139 2.053 0.597 0.638 0.866 0.642 CB 1.442 68 residues pruned to eliminate duplicates Z: 57 36.398 2.057 0.600 0.685 0.893 0.607 CB 1.396 57 residues pruned to eliminate duplicates Z: 52 32.014 2.025 0.621 0.581 0.941 0.647 CB 1.343 52 residues pruned to eliminate duplicates Z: 24 32.365 2.046 0.664 0.893 0.957 0.652 CB 1.487 24 residues pruned to eliminate duplicates Z: 87 48.499 2.058 0.548 0.660 0.919 0.593 CB 1.541 87 residues pruned to eliminate duplicates Z: 57 40.266 2.102 0.590 0.678 0.929 0.643 CB 1.472 57 residues pruned to eliminate duplicates Z: 27 34.417 2.048 0.702 0.798 1.000 0.692 CB 1.492 27 residues pruned to eliminate duplicates Z: 67 41.178 2.089 0.689 0.605 0.909 0.591 CB 1.430 67 residues pruned to eliminate duplicates Z: 62 40.214 2.073 0.733 0.631 0.885 0.541 CB 1.432 62 residues pruned to eliminate duplicates Z: 38 32.653 2.051 0.744 0.662 0.919 0.486 CB 1.404 38 residues pruned to eliminate duplicates Z: 29 31.061 2.048 0.741 0.719 0.929 0.536 CB 1.454 29 residues pruned to eliminate duplicates Z: 67 40.122 2.080 0.655 0.612 0.924 0.515 CB 1.396 67 residues pruned to eliminate duplicates Z: 39 29.110 2.036 0.629 0.641 0.895 0.447 CB 1.396 39 residues pruned to eliminate duplicates Z: 36 31.063 2.067 0.658 0.674 0.914 0.657 CB 1.427 36 residues pruned to eliminate duplicates Z: 13 17.866 2.017 0.534 0.583 1.000 0.833 CB 1.539 13 residues pruned to eliminate duplicates Z: 26 20.866 1.911 0.626 0.636 0.880 0.520 CB 1.344 26 residues pruned to eliminate duplicates Z: 68 41.069 2.100 0.643 0.616 0.910 0.582 CB 1.431 68 residues pruned to eliminate duplicates Z: 13 12.215 1.979 0.437 0.474 0.917 0.583 CB 1.388 13 residues pruned to eliminate duplicates Z: 13 15.584 1.975 0.543 0.540 0.917 0.667 CB 1.550 13 residues pruned to eliminate duplicates Z: 37 34.104 2.072 0.647 0.736 0.944 0.556 CB 1.427 37 residues pruned to eliminate duplicates Z: 69 42.601 2.089 0.677 0.659 0.897 0.529 CB 1.419 69 residues pruned to eliminate duplicates Z: 45 39.420 2.117 0.531 0.659 0.955 0.682 CB 1.657 45 residues pruned to eliminate duplicates Z: 16 31.480 2.321 0.448 0.831 1.000 0.733 CA 1.818 16 residues pruned to eliminate duplicates Z: 24 23.611 2.051 0.498 0.613 0.913 0.565 CA 1.577 24 residues pruned to eliminate duplicates Z: 19 24.027 2.120 0.515 0.714 0.889 0.667 CA 1.634 19 residues pruned to eliminate duplicates Z: 60 35.490 2.061 0.568 0.634 0.847 0.559 CB 1.487 60 residues pruned to eliminate duplicates Z: 18 30.721 2.241 0.637 0.782 0.941 0.824 CA 1.683 18 residues pruned to eliminate duplicates Z: 19 29.642 2.124 0.707 0.751 0.889 0.722 CB 1.732 19 residues pruned to eliminate duplicates Z: 87 50.823 2.112 0.678 0.646 0.919 0.593 CB 1.469 87 residues pruned to eliminate duplicates Z: 18 35.603 2.259 0.731 0.822 0.941 0.824 CA 1.774 18 residues pruned to eliminate duplicates Z: 19 34.706 2.223 0.818 0.772 0.944 0.778 CA 1.686 19 residues pruned to eliminate duplicates Z: 18 38.041 2.288 0.796 0.824 0.941 0.824 CA 1.802 18 residues pruned to eliminate duplicates Z: 15 35.171 2.181 0.958 0.864 0.929 0.643 CB 1.738 15 residues pruned to eliminate duplicates Z: 24 24.275 2.142 0.610 0.538 0.913 0.522 CB 1.548 24 residues pruned to eliminate duplicates Z: 19 31.669 2.179 0.682 0.713 0.944 0.556 CA 1.778 19 residues pruned to eliminate duplicates Z: 17 33.963 2.253 0.634 0.761 1.000 0.625 CA 1.829 17 residues pruned to eliminate duplicates Z: 19 35.119 2.249 0.814 0.708 0.944 0.722 CA 1.779 19 residues pruned to eliminate duplicates Z: 17 15.844 2.013 0.265 0.521 0.938 0.250 CB 1.625 17 residues pruned to eliminate duplicates Z: 12 11.204 1.907 0.477 0.420 0.909 0.545 CB 1.435 12 residues pruned to eliminate duplicates Z: 14 7.513 1.795 0.309 0.496 0.846 0.615 CB 1.052 14 residues pruned to eliminate duplicates Z: 8 13.489 2.088 0.761 0.599 1.000 0.857 CB 1.262 8 residues pruned to eliminate duplicates 6 1.686 1.341 0.620 0.225 0.600 0.600 CA 0.797 ? Z: 6 3.800 1.475 0.695 0.235 0.800 0.600 CA 1.157 6 residues pruned to eliminate duplicates Z: 17 18.323 2.020 0.563 0.456 1.000 0.562 CB 1.517 19 residues pruned to eliminate duplicates Z: 11 14.994 2.116 0.429 0.622 0.900 0.500 CA 1.554 11 residues pruned to eliminate duplicates Z: 28 21.898 2.091 0.516 0.443 0.926 0.593 CB 1.522 28 residues pruned to eliminate duplicates Z: 35 19.817 2.025 0.528 0.393 0.853 0.588 CB 1.441 32 residues pruned to eliminate duplicates Z: 9 16.923 2.048 0.599 0.878 1.000 0.625 CA 1.326 9 residues pruned to eliminate duplicates Z: 9 14.163 2.183 0.544 0.650 0.750 0.500 CB 1.723 9 residues pruned to eliminate duplicates Z: 12 14.346 2.105 0.573 0.485 0.818 0.455 CB 1.621 12 residues pruned to eliminate duplicates Z: 18 16.724 2.053 0.389 0.432 0.941 0.588 CA 1.622 20 residues pruned to eliminate duplicates Z: 8 9.974 2.167 0.320 0.621 0.714 0.571 CB 1.646 8 residues pruned to eliminate duplicates Z: 30 13.591 1.943 0.375 0.377 0.793 0.345 CB 1.357 30 residues pruned to eliminate duplicates Z: 20 12.581 2.051 0.343 0.301 0.842 0.368 CA 1.553 20 residues pruned to eliminate duplicates Z: 17 8.551 1.899 0.410 0.358 0.688 0.250 CB 1.354 17 residues pruned to eliminate duplicates Z: 17 9.551 1.920 0.430 0.267 0.750 0.375 CB 1.512 17 residues pruned to eliminate duplicates Z: 36 17.040 2.005 0.672 0.337 0.800 0.343 CB 1.283 36 residues pruned to eliminate duplicates Z: 11 11.006 1.697 0.465 0.607 1.000 0.800 CA 1.265 11 residues pruned to eliminate duplicates Z: 23 10.551 1.957 0.466 0.282 0.864 0.409 CB 1.161 23 residues pruned to eliminate duplicates Z: 9 12.322 2.043 0.524 0.438 1.000 0.750 CB 1.492 Z: 31 13.472 2.045 0.326 0.343 0.800 0.500 CB 1.345 40 residues pruned to eliminate duplicates Z: 24 15.231 1.972 0.506 0.398 0.826 0.478 CB 1.442 24 residues pruned to eliminate duplicates Z: 13 12.133 2.027 0.483 0.471 0.833 0.417 CB 1.440 13 residues pruned to eliminate duplicates Z: 15 14.948 2.028 0.465 0.502 0.857 0.429 CB 1.565 15 residues pruned to eliminate duplicates Z: 16 12.179 1.861 0.585 0.391 0.733 0.533 O 1.631 16 residues pruned to eliminate duplicates Z: 19 14.787 2.049 0.598 0.532 0.778 0.556 CB 1.326 19 residues pruned to eliminate duplicates Z: 29 19.465 2.017 0.495 0.467 0.929 0.536 CB 1.359 30 residues pruned to eliminate duplicates Z: 11 11.173 1.716 0.740 0.723 0.800 0.400 O 1.209 11 residues pruned to eliminate duplicates Z: 16 13.682 1.857 0.427 0.425 1.000 0.467 CB 1.441 16 residues pruned to eliminate duplicates Z: 28 19.334 2.026 0.481 0.458 0.963 0.519 CB 1.344 28 residues pruned to eliminate duplicates Z: 12 8.458 1.898 0.524 0.492 0.727 0.273 CB 1.221 12 residues pruned to eliminate duplicates Z: 17 12.506 1.981 0.286 0.472 0.875 0.438 CB 1.443 17 residues pruned to eliminate duplicates Z: 21 11.824 2.010 0.273 0.407 0.800 0.550 CB 1.424 21 residues pruned to eliminate duplicates Z: 15 13.251 2.030 0.743 0.434 0.857 0.571 CB 1.250 13 residues pruned to eliminate duplicates Z: 7 6.220 2.013 0.498 0.514 0.833 0.333 CB 0.996 7 residues pruned to eliminate duplicates Z: 32 16.518 1.859 0.513 0.510 0.839 0.613 CB 1.245 42 residues pruned to eliminate duplicates Z: 6 4.968 1.799 0.375 0.281 0.800 0.600 CB 1.438 6 residues pruned to eliminate duplicates Z: 13 23.958 2.289 0.515 0.631 1.000 0.750 CB 1.763 13 residues pruned to eliminate duplicates Z: 14 16.459 2.177 0.260 0.551 1.000 0.462 CB 1.582 14 residues pruned to eliminate duplicates Z: 25 22.438 2.217 0.428 0.474 0.958 0.708 CB 1.551 25 residues pruned to eliminate duplicates Z: 9 21.327 2.247 0.657 0.829 1.000 0.500 CB 1.524 9 residues pruned to eliminate duplicates Z: 30 24.147 2.178 0.550 0.491 0.897 0.483 CB 1.496 30 residues pruned to eliminate duplicates Z: 8 11.654 1.940 0.153 0.812 1.000 0.714 CB 1.501 8 residues pruned to eliminate duplicates Z: 23 13.652 2.039 0.174 0.385 0.909 0.455 CB 1.512 31 residues pruned to eliminate duplicates Z: 13 16.262 2.205 0.275 0.588 0.917 0.667 CB 1.674 13 residues pruned to eliminate duplicates Z: 24 19.111 2.075 0.723 0.457 0.826 0.522 CB 1.409 24 residues pruned to eliminate duplicates Z: 23 27.523 2.241 0.722 0.552 0.909 0.636 CB 1.590 23 residues pruned to eliminate duplicates Z: 25 20.828 2.152 0.469 0.558 0.833 0.667 CB 1.526 25 residues pruned to eliminate duplicates Z: 16 22.737 2.216 0.723 0.554 0.933 0.600 CB 1.562 16 residues pruned to eliminate duplicates Z: 11 16.999 2.178 0.595 0.531 0.900 0.500 CB 1.668 11 residues pruned to eliminate duplicates Z: 21 29.660 2.303 0.914 0.547 0.900 0.650 CB 1.597 21 residues pruned to eliminate duplicates Z: 16 18.081 2.213 0.585 0.512 0.867 0.667 CB 1.518 16 residues pruned to eliminate duplicates Z: 21 15.972 2.058 0.670 0.336 0.850 0.600 CB 1.462 21 residues pruned to eliminate duplicates Z: 30 25.436 2.195 0.730 0.515 0.862 0.552 CB 1.422 30 residues pruned to eliminate duplicates Z: 16 21.107 2.193 0.621 0.513 0.933 0.600 CB 1.621 16 residues pruned to eliminate duplicates Z: 17 16.848 2.118 0.575 0.478 0.875 0.625 CB 1.476 17 residues pruned to eliminate duplicates Z: 27 18.685 2.166 0.606 0.433 0.769 0.462 CB 1.467 27 residues pruned to eliminate duplicates Z: 21 13.691 2.046 0.556 0.425 0.850 0.550 CB 1.223 21 residues pruned to eliminate duplicates Z: 25 30.501 2.354 0.661 0.570 0.917 0.625 CB 1.623 25 residues pruned to eliminate duplicates Z: 29 24.284 2.225 0.315 0.581 0.929 0.714 CB 1.563 29 residues pruned to eliminate duplicates Z: 40 29.443 2.137 0.595 0.580 0.897 0.538 CB 1.428 40 residues pruned to eliminate duplicates Z: 20 16.868 2.034 0.554 0.627 0.789 0.526 CB 1.376 20 residues pruned to eliminate duplicates Z: 9 17.857 2.027 0.627 0.759 0.875 0.375 CB 1.738 9 residues pruned to eliminate duplicates Z: 10 14.778 2.036 0.828 0.651 0.778 0.556 CB 1.478 10 residues pruned to eliminate duplicates Z: 11 12.501 1.952 0.722 0.636 0.800 0.400 CB 1.294 11 residues pruned to eliminate duplicates Z: 9 16.652 2.136 0.782 0.713 0.875 0.625 CB 1.457 9 residues pruned to eliminate duplicates Z: 11 12.308 1.919 0.705 0.501 0.800 0.500 CA 1.485 11 residues pruned to eliminate duplicates Z: 37 33.609 2.169 0.706 0.572 0.917 0.722 CB 1.541 37 residues pruned to eliminate duplicates 931 residues left after pruning, divided into chains as follows: A: 12 B: 14 C: 6 D: 7 E: 6 F: 15 G: 13 H: 7 I: 29 J: 11 K: 34 L: 8 M: 12 N: 44 O: 39 P: 18 Q: 9 R: 48 S: 12 T: 14 U: 22 V: 82 W: 23 X: 23 Y: 19 Z: 22 Z: 6 Z: 11 Z: 65 Z: 33 Z: 17 Z: 88 Z: 56 Z: 44 Z: 62 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 27.56 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.498, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.566, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.661, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.665, Connect. = 0.775 for dens.mod. cycle 4 = 0.300, Contrast = 0.671, Connect. = 0.777 for dens.mod. cycle 5 = 0.300, Contrast = 0.674, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.677, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.680, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7686 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1619 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 34.308 2.218 0.991 0.902 0.923 0.846 CA 1.665 B: 13 35.091 2.336 0.730 0.899 1.000 0.750 CA 1.791 13 residues pruned to eliminate duplicates C: 13 38.174 2.363 1.032 0.889 0.917 0.667 CA 1.803 13 residues pruned to eliminate duplicates D: 10 18.404 2.348 0.391 0.879 1.000 0.889 CA 1.362 11 residues pruned to eliminate duplicates E: 12 36.209 2.438 0.728 0.920 1.000 0.818 CA 1.825 12 residues pruned to eliminate duplicates F: 11 22.849 2.364 0.287 0.855 1.000 0.800 CA 1.754 G: 17 19.110 1.937 0.547 0.776 0.875 0.750 CB 1.428 H: 14 36.224 2.223 0.745 0.864 1.000 0.769 CB 1.899 14 residues pruned to eliminate duplicates I: 13 36.685 2.346 0.845 0.918 1.000 0.917 CA 1.727 13 residues pruned to eliminate duplicates J: 15 26.395 2.135 0.634 0.899 0.857 0.714 CB 1.687 17 residues pruned to eliminate duplicates K: 13 39.663 2.347 0.891 0.912 1.000 0.833 CA 1.827 13 residues pruned to eliminate duplicates L: 16 24.781 2.042 0.490 0.867 0.933 0.533 CB 1.648 15 residues pruned to eliminate duplicates M: 11 16.155 1.786 0.821 0.771 0.900 0.600 O 1.373 N: 9 22.375 2.195 0.546 0.807 1.000 0.750 CA 1.784 O: 14 13.166 1.943 0.242 0.868 0.769 0.692 CB 1.439 P: 31 40.903 2.148 0.575 0.925 1.000 0.833 CA 1.549 Q: 13 30.422 2.283 0.575 0.918 1.000 0.667 CB 1.723 14 residues pruned to eliminate duplicates R: 12 36.681 2.307 1.106 0.896 1.000 0.455 CB 1.630 S: 18 21.414 1.912 0.391 0.868 1.000 0.882 CB 1.428 T: 12 26.897 2.299 0.468 0.916 1.000 1.000 CA 1.697 12 residues pruned to eliminate duplicates U: 12 17.698 2.070 0.418 0.877 0.909 0.636 CB 1.453 12 residues pruned to eliminate duplicates V: 12 34.293 2.222 1.030 0.883 1.000 0.909 CB 1.658 12 residues pruned to eliminate duplicates W: 30 40.221 2.203 0.536 0.936 1.000 0.897 CA 1.537 30 residues pruned to eliminate duplicates X: 16 23.886 2.119 0.467 0.834 1.000 0.800 CA 1.488 Y: 12 27.033 2.162 0.565 0.877 1.000 0.727 N 1.749 11 residues pruned to eliminate duplicates Z: 9 20.513 2.228 0.767 0.812 0.875 0.750 CB 1.605 9 residues pruned to eliminate duplicates Z: 17 23.199 2.117 0.404 0.842 1.000 0.875 CA 1.454 16 residues pruned to eliminate duplicates Z: 13 19.009 1.987 0.340 0.839 1.000 0.750 CA 1.539 Z: 16 38.906 2.249 0.863 0.921 1.000 0.733 CA 1.687 Z: 7 32.498 2.340 1.196 0.869 1.000 1.000 CB 1.886 8 residues pruned to eliminate duplicates Z: 8 23.518 2.190 0.722 0.873 1.000 1.000 CB 1.718 Z: 32 46.260 2.120 0.777 0.935 1.000 0.903 CB 1.537 Z: 13 43.844 2.366 1.266 0.919 1.000 0.667 CA 1.664 13 residues pruned to eliminate duplicates Z: 17 22.077 2.129 0.358 0.810 0.938 0.875 CA 1.555 17 residues pruned to eliminate duplicates Z: 8 21.121 2.219 0.996 0.869 0.857 0.857 CA 1.536 8 residues pruned to eliminate duplicates Z: 16 34.277 2.173 0.967 0.904 0.933 0.800 CA 1.581 16 residues pruned to eliminate duplicates Z: 13 19.346 2.085 0.284 0.778 1.000 0.750 CB 1.633 13 residues pruned to eliminate duplicates Z: 13 23.963 2.198 0.642 0.932 1.000 1.000 CA 1.338 Z: 31 56.913 2.232 1.036 0.930 1.000 0.767 CB 1.599 31 residues pruned to eliminate duplicates Z: 13 23.851 2.308 0.434 0.901 1.000 1.000 CA 1.485 14 residues pruned to eliminate duplicates Z: 18 22.956 1.918 0.323 0.887 1.000 0.882 CB 1.581 18 residues pruned to eliminate duplicates Z: 30 41.799 2.247 0.620 0.933 0.966 0.897 CA 1.542 30 residues pruned to eliminate duplicates Z: 8 9.813 1.922 0.465 0.726 1.000 0.571 CB 1.074 Z: 13 6.103 1.790 0.675 0.277 0.750 0.417 CB 1.009 Z: 8 9.833 1.915 0.634 0.633 0.714 0.429 CB 1.469 Z: 17 18.317 2.036 0.174 0.870 0.938 0.812 CA 1.491 17 residues pruned to eliminate duplicates Z: 39 23.934 1.948 0.556 0.517 0.947 0.658 CB 1.330 Z: 9 18.907 2.224 0.371 0.833 1.000 0.750 CA 1.644 Z: 15 36.165 2.260 0.835 0.916 0.929 0.571 CA 1.773 15 residues pruned to eliminate duplicates Z: 9 22.376 2.098 0.619 0.903 1.000 1.000 CB 1.660 8 residues pruned to eliminate duplicates Z: 31 25.097 2.184 0.605 0.508 0.933 0.600 CB 1.390 16 residues pruned to eliminate duplicates Z: 11 30.860 2.268 1.155 0.883 0.900 0.600 CB 1.604 11 residues pruned to eliminate duplicates Z: 23 23.219 1.997 0.147 0.896 1.000 0.864 CB 1.548 12 residues pruned to eliminate duplicates Z: 13 28.382 2.146 0.753 0.906 1.000 0.750 CB 1.549 Z: 31 44.877 2.223 0.629 0.924 1.000 0.833 CA 1.589 31 residues pruned to eliminate duplicates Z: 8 13.052 1.920 0.713 0.789 0.857 0.714 CA 1.358 Z: 30 34.209 1.986 0.649 0.896 0.966 0.793 CA 1.439 Z: 10 14.090 1.708 0.683 0.806 1.000 0.778 N 1.251 Z: 27 28.474 2.026 0.219 0.936 1.000 0.923 CB 1.575 Z: 8 13.601 1.994 0.719 0.786 0.857 0.714 CA 1.361 8 residues pruned to eliminate duplicates Z: 30 54.017 2.254 0.993 0.901 1.000 0.448 CB 1.594 31 residues pruned to eliminate duplicates Z: 15 23.507 1.776 0.887 0.800 0.929 0.500 N 1.553 15 residues pruned to eliminate duplicates Z: 8 21.230 2.161 0.531 0.857 1.000 0.857 CB 1.787 9 residues pruned to eliminate duplicates Z: 14 29.237 2.140 0.671 0.905 1.000 0.846 CA 1.614 14 residues pruned to eliminate duplicates Z: 13 25.249 2.147 0.968 0.847 0.917 0.500 CB 1.397 13 residues pruned to eliminate duplicates Z: 28 30.508 2.020 0.569 0.885 0.963 0.852 CB 1.389 29 residues pruned to eliminate duplicates Z: 21 21.826 2.003 0.669 0.878 0.850 0.550 CB 1.246 21 residues pruned to eliminate duplicates Z: 12 22.316 2.105 0.508 0.832 1.000 0.545 CA 1.592 9 residues pruned to eliminate duplicates Z: 10 21.705 1.834 0.810 0.844 1.000 0.667 N 1.621 11 residues pruned to eliminate duplicates Z: 15 29.311 2.040 0.929 0.884 0.929 0.714 CA 1.549 13 residues pruned to eliminate duplicates Z: 30 44.192 2.227 0.566 0.933 1.000 0.862 CA 1.642 30 residues pruned to eliminate duplicates Z: 13 25.727 2.130 0.450 0.883 1.000 0.750 CA 1.738 13 residues pruned to eliminate duplicates Z: 29 31.640 1.978 0.612 0.937 0.964 0.929 CB 1.354 29 residues pruned to eliminate duplicates Z: 12 18.050 2.233 0.291 0.901 1.000 1.000 CA 1.348 12 residues pruned to eliminate duplicates Z: 9 13.491 2.054 0.282 0.777 0.875 0.750 O 1.621 9 residues pruned to eliminate duplicates Z: 18 21.999 2.002 0.357 0.809 1.000 0.824 CA 1.501 18 residues pruned to eliminate duplicates Z: 14 21.835 2.005 0.792 0.831 1.000 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 9 19.765 2.019 0.576 0.923 1.000 0.750 CA 1.544 8 residues pruned to eliminate duplicates Z: 31 41.697 2.176 0.578 0.924 1.000 0.933 CA 1.557 32 residues pruned to eliminate duplicates Z: 43 26.173 2.152 0.516 0.438 0.857 0.571 CB 1.539 20 residues pruned to eliminate duplicates Z: 22 18.633 2.147 0.928 0.580 0.857 0.571 CB 1.061 22 residues pruned to eliminate duplicates Z: 22 39.608 2.309 0.975 0.632 0.952 0.524 CB 1.758 13 residues pruned to eliminate duplicates Z: 16 28.435 1.974 0.708 0.885 1.000 0.800 CA 1.572 16 residues pruned to eliminate duplicates Z: 16 24.644 1.947 0.531 0.893 1.000 0.733 CB 1.534 16 residues pruned to eliminate duplicates Z: 15 20.196 2.112 0.254 0.879 0.929 0.857 CB 1.592 15 residues pruned to eliminate duplicates Z: 23 38.794 2.135 0.886 0.890 1.000 0.818 CA 1.479 23 residues pruned to eliminate duplicates Z: 13 18.874 2.075 0.605 0.834 1.000 0.833 CA 1.226 13 residues pruned to eliminate duplicates Z: 16 37.440 2.238 0.634 0.927 1.000 0.667 CA 1.853 16 residues pruned to eliminate duplicates Z: 16 32.113 2.219 0.823 0.887 0.867 0.600 CA 1.705 16 residues pruned to eliminate duplicates Z: 12 20.707 2.046 0.543 0.815 1.000 0.455 CB 1.503 12 residues pruned to eliminate duplicates Z: 12 19.787 2.254 0.452 0.753 0.909 0.818 CB 1.601 12 residues pruned to eliminate duplicates Z: 13 30.079 2.287 0.753 0.885 1.000 0.917 CB 1.564 12 residues pruned to eliminate duplicates Z: 11 20.752 2.254 0.348 0.914 0.900 0.800 CA 1.697 Z: 8 21.235 2.152 0.877 0.834 1.000 0.857 CB 1.490 8 residues pruned to eliminate duplicates Z: 11 29.310 2.337 0.970 0.902 0.900 0.700 CB 1.595 11 residues pruned to eliminate duplicates Z: 16 28.300 2.158 0.620 0.865 0.933 0.733 CA 1.641 16 residues pruned to eliminate duplicates Z: 11 21.458 2.089 0.641 0.895 1.000 0.600 CB 1.419 13 residues pruned to eliminate duplicates Z: 11 17.267 1.924 0.446 0.923 1.000 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 31 48.916 2.236 0.750 0.913 1.000 0.800 CA 1.616 31 residues pruned to eliminate duplicates Z: 17 17.505 1.901 0.131 0.893 0.938 0.938 CB 1.559 17 residues pruned to eliminate duplicates Z: 16 20.775 2.141 0.743 0.536 0.933 0.533 CB 1.487 Z: 9 18.761 2.051 0.355 0.879 1.000 0.875 N 1.732 10 residues pruned to eliminate duplicates Z: 14 24.814 2.130 0.601 0.851 0.923 0.692 CB 1.619 14 residues pruned to eliminate duplicates Z: 13 39.220 2.350 1.070 0.927 0.917 0.500 CA 1.779 13 residues pruned to eliminate duplicates Z: 24 16.783 2.060 0.484 0.533 0.826 0.522 CB 1.342 24 residues pruned to eliminate duplicates Z: 14 22.725 2.159 0.462 0.906 0.846 0.538 CB 1.679 14 residues pruned to eliminate duplicates Z: 16 23.006 2.137 0.308 0.862 1.000 0.800 CA 1.560 17 residues pruned to eliminate duplicates Z: 15 20.628 1.932 0.462 0.892 1.000 0.857 CB 1.402 Z: 16 22.056 2.110 0.453 0.814 0.933 0.800 CA 1.514 16 residues pruned to eliminate duplicates Z: 12 36.581 2.348 1.076 0.910 1.000 0.818 CA 1.605 13 residues pruned to eliminate duplicates Z: 15 23.585 2.044 1.155 0.867 0.929 0.714 CB 1.127 15 residues pruned to eliminate duplicates Z: 16 34.767 2.262 0.706 0.902 0.933 0.600 CA 1.778 16 residues pruned to eliminate duplicates Z: 12 18.567 1.892 0.607 0.877 1.000 0.818 CB 1.337 12 residues pruned to eliminate duplicates Z: 13 19.623 2.018 0.458 0.819 0.917 0.750 CB 1.592 11 residues pruned to eliminate duplicates Z: 12 27.034 2.237 0.705 0.870 1.000 0.818 CB 1.560 12 residues pruned to eliminate duplicates Z: 30 47.795 2.260 0.820 0.928 0.931 0.414 CB 1.622 30 residues pruned to eliminate duplicates Z: 28 40.156 2.193 0.620 0.918 1.000 0.778 CA 1.534 28 residues pruned to eliminate duplicates Z: 19 17.174 2.088 0.655 0.481 0.833 0.444 CB 1.433 17 residues pruned to eliminate duplicates Z: 41 51.141 2.198 0.848 0.873 0.900 0.725 CB 1.610 41 residues pruned to eliminate duplicates Z: 13 23.476 1.916 0.476 0.936 1.000 1.000 CB 1.668 Z: 12 21.729 2.169 0.591 0.866 0.909 0.727 CB 1.528 12 residues pruned to eliminate duplicates Z: 15 18.656 2.172 0.707 0.535 0.857 0.357 CB 1.517 15 residues pruned to eliminate duplicates Z: 32 49.305 2.118 0.936 0.931 0.968 0.613 CB 1.559 32 residues pruned to eliminate duplicates Z: 16 30.710 2.195 0.678 0.925 0.933 0.933 CA 1.619 16 residues pruned to eliminate duplicates Z: 16 33.266 2.177 0.864 0.864 0.933 0.333 CB 1.663 16 residues pruned to eliminate duplicates Z: 14 24.165 2.032 0.600 0.904 0.923 0.692 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 38.147 2.190 1.227 0.914 1.000 0.750 CA 1.597 13 residues pruned to eliminate duplicates Z: 25 39.817 2.087 0.877 0.897 1.000 0.708 CB 1.486 25 residues pruned to eliminate duplicates Z: 13 21.760 2.040 0.335 0.875 1.000 0.917 CA 1.676 11 residues pruned to eliminate duplicates Z: 27 47.816 2.226 0.920 0.941 1.000 0.654 CB 1.523 28 residues pruned to eliminate duplicates Z: 12 16.453 1.910 0.243 0.902 0.909 0.818 CA 1.640 12 residues pruned to eliminate duplicates Z: 17 33.839 2.179 0.743 0.892 1.000 0.688 CA 1.600 17 residues pruned to eliminate duplicates Z: 12 21.001 1.938 0.632 0.858 1.000 0.818 CA 1.474 12 residues pruned to eliminate duplicates Z: 29 46.624 2.243 0.821 0.870 0.929 0.821 CA 1.696 29 residues pruned to eliminate duplicates Z: 17 35.335 2.239 0.952 0.927 0.938 0.875 CB 1.511 17 residues pruned to eliminate duplicates Z: 11 35.546 2.127 1.288 0.894 1.000 0.700 CB 1.657 11 residues pruned to eliminate duplicates Z: 15 36.456 2.323 0.803 0.916 0.929 0.500 CB 1.770 15 residues pruned to eliminate duplicates Z: 16 33.306 2.183 0.868 0.900 0.933 0.467 CB 1.614 16 residues pruned to eliminate duplicates Z: 30 52.512 2.205 0.906 0.942 1.000 0.862 CB 1.608 30 residues pruned to eliminate duplicates Z: 31 54.155 2.219 0.995 0.935 1.000 0.700 CB 1.556 31 residues pruned to eliminate duplicates Z: 15 29.197 2.068 0.629 0.906 1.000 0.786 CB 1.648 15 residues pruned to eliminate duplicates Z: 14 19.486 1.953 0.549 0.788 0.923 0.615 CA 1.502 14 residues pruned to eliminate duplicates Z: 14 17.934 1.812 0.559 0.795 1.000 0.615 CA 1.359 Z: 23 41.178 2.188 0.828 0.891 1.000 0.818 CB 1.578 23 residues pruned to eliminate duplicates Z: 15 20.172 2.306 0.746 0.523 0.929 0.357 CB 1.409 11 residues pruned to eliminate duplicates Z: 23 31.543 2.123 0.543 0.919 1.000 0.909 CB 1.447 23 residues pruned to eliminate duplicates Z: 16 33.592 2.253 0.589 0.898 1.000 0.800 CA 1.732 16 residues pruned to eliminate duplicates Z: 24 25.764 1.989 0.408 0.885 0.957 0.870 CB 1.448 24 residues pruned to eliminate duplicates Z: 8 4.116 1.959 -0.161 0.534 1.000 0.571 CB 0.915 Z: 29 38.989 2.035 0.847 0.924 0.964 0.714 CB 1.428 29 residues pruned to eliminate duplicates Z: 22 31.979 2.092 0.727 0.879 0.952 0.524 CB 1.472 23 residues pruned to eliminate duplicates Z: 30 51.136 2.274 0.717 0.940 1.000 0.828 CA 1.689 30 residues pruned to eliminate duplicates Z: 29 34.267 1.960 0.566 0.934 0.964 0.857 CB 1.525 27 residues pruned to eliminate duplicates Z: 15 17.544 1.923 0.357 0.866 1.000 0.643 CB 1.315 15 residues pruned to eliminate duplicates Z: 11 25.234 2.342 0.407 0.878 1.000 0.800 CB 1.758 11 residues pruned to eliminate duplicates Z: 19 32.402 2.181 0.758 0.907 0.889 0.556 CB 1.592 19 residues pruned to eliminate duplicates Z: 11 18.156 2.291 0.077 0.856 1.000 0.900 CA 1.715 11 residues pruned to eliminate duplicates Z: 20 12.773 2.098 0.380 0.318 0.789 0.421 CB 1.568 20 residues pruned to eliminate duplicates Z: 44 33.573 1.935 0.692 0.686 0.953 0.605 CB 1.383 39 residues pruned to eliminate duplicates Z: 20 35.400 2.128 0.840 0.936 0.947 0.632 CB 1.525 21 residues pruned to eliminate duplicates Z: 30 36.704 2.232 0.437 0.931 1.000 0.897 CA 1.485 29 residues pruned to eliminate duplicates Z: 18 33.022 2.009 0.825 0.870 1.000 0.882 CA 1.595 18 residues pruned to eliminate duplicates Z: 9 26.433 2.111 0.900 0.896 1.000 0.750 CB 1.669 9 residues pruned to eliminate duplicates Z: 6 13.944 2.058 0.373 0.778 1.000 0.600 CB 1.727 6 residues pruned to eliminate duplicates Z: 14 22.433 1.934 0.501 0.873 1.000 0.615 CA 1.561 15 residues pruned to eliminate duplicates Z: 21 29.257 2.046 0.705 0.929 0.950 0.550 CB 1.381 21 residues pruned to eliminate duplicates Z: 10 14.146 1.984 0.902 0.868 0.778 0.667 CA 1.175 10 residues pruned to eliminate duplicates Z: 27 21.762 2.054 0.708 0.438 0.923 0.615 CB 1.405 9 residues pruned to eliminate duplicates Z: 16 29.925 2.114 0.690 0.834 1.000 0.533 CA 1.620 16 residues pruned to eliminate duplicates Z: 30 44.408 2.238 0.820 0.904 0.897 0.655 CA 1.608 30 residues pruned to eliminate duplicates Z: 22 23.414 2.015 0.702 0.603 0.857 0.667 CB 1.575 14 residues pruned to eliminate duplicates Z: 29 22.090 1.924 0.748 0.562 0.857 0.714 CB 1.364 29 residues pruned to eliminate duplicates Z: 17 25.317 2.020 0.459 0.863 1.000 0.875 CB 1.576 17 residues pruned to eliminate duplicates Z: 30 38.063 2.247 0.475 0.940 0.966 0.931 CA 1.534 30 residues pruned to eliminate duplicates Z: 19 31.099 2.053 1.062 0.925 0.889 0.722 CB 1.367 19 residues pruned to eliminate duplicates Z: 27 32.262 2.026 0.631 0.893 1.000 0.923 CB 1.374 27 residues pruned to eliminate duplicates Z: 16 33.798 2.196 0.817 0.886 0.933 0.600 CA 1.690 16 residues pruned to eliminate duplicates Z: 31 56.022 2.251 1.061 0.925 0.967 0.767 CB 1.600 31 residues pruned to eliminate duplicates Z: 25 11.385 1.908 0.456 0.406 0.833 0.500 CB 1.108 Z: 7 15.511 2.040 0.647 0.892 1.000 0.833 CB 1.355 Z: 18 25.907 1.986 0.693 0.834 0.882 0.647 CA 1.587 18 residues pruned to eliminate duplicates Z: 17 24.187 2.105 0.562 0.772 0.938 0.688 CA 1.542 17 residues pruned to eliminate duplicates Z: 19 30.730 2.106 0.748 0.850 0.944 0.611 CB 1.542 19 residues pruned to eliminate duplicates Z: 29 48.042 2.292 0.617 0.933 1.000 0.821 CA 1.710 29 residues pruned to eliminate duplicates Z: 28 30.781 1.977 0.892 0.913 0.963 0.815 CB 1.164 28 residues pruned to eliminate duplicates Z: 13 19.941 2.027 0.283 0.893 1.000 1.000 CB 1.589 Z: 14 21.356 1.934 0.607 0.868 1.000 0.923 CB 1.393 14 residues pruned to eliminate duplicates Z: 25 18.833 2.157 0.516 0.393 0.875 0.542 CB 1.505 29 residues pruned to eliminate duplicates Z: 11 14.795 1.987 0.385 0.823 0.800 0.600 CB 1.607 11 residues pruned to eliminate duplicates Z: 30 49.726 2.249 0.926 0.925 0.931 0.310 CB 1.607 30 residues pruned to eliminate duplicates Z: 31 44.682 2.089 1.033 0.915 0.967 0.467 CB 1.405 31 residues pruned to eliminate duplicates Z: 16 15.586 1.882 0.468 0.863 0.867 0.800 CB 1.233 16 residues pruned to eliminate duplicates Z: 6 13.114 2.233 0.312 0.849 1.000 1.000 CB 1.485 Z: 40 25.037 2.145 0.524 0.443 0.846 0.385 CB 1.537 40 residues pruned to eliminate duplicates Z: 17 21.351 2.140 0.387 0.824 0.875 0.750 CA 1.552 17 residues pruned to eliminate duplicates Z: 10 13.630 1.830 0.658 0.826 0.778 0.444 O 1.452 10 residues pruned to eliminate duplicates Z: 12 16.848 2.063 0.963 0.742 0.818 0.455 CB 1.235 12 residues pruned to eliminate duplicates Z: 12 17.416 1.878 0.626 0.860 0.909 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 19 38.583 2.106 1.137 0.894 0.944 0.778 CB 1.535 19 residues pruned to eliminate duplicates Z: 11 18.549 1.929 0.555 0.854 1.000 0.800 CB 1.444 Z: 7 9.685 1.843 0.684 0.801 1.000 0.667 CB 0.979 Z: 47 41.495 2.206 0.692 0.690 0.891 0.696 CB 1.546 48 residues pruned to eliminate duplicates Z: 7 8.270 1.977 0.713 0.723 1.000 0.500 CB 0.815 11 residues pruned to eliminate duplicates Z: 21 18.160 1.944 0.321 0.770 0.950 0.800 CB 1.310 13 residues pruned to eliminate duplicates Z: 12 23.253 2.228 0.346 0.922 1.000 1.000 CB 1.644 12 residues pruned to eliminate duplicates Z: 14 29.978 2.221 1.253 0.852 0.923 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 11 24.170 2.196 0.638 0.882 1.000 0.700 CB 1.538 14 residues pruned to eliminate duplicates Z: 12 22.778 1.927 0.733 0.927 1.000 0.909 CB 1.441 12 residues pruned to eliminate duplicates Z: 6 12.589 1.969 0.631 0.859 0.800 0.400 CB 1.613 6 residues pruned to eliminate duplicates Z: 16 33.274 2.232 0.740 0.858 0.933 0.667 CA 1.745 16 residues pruned to eliminate duplicates Z: 25 40.110 2.186 0.648 0.942 0.958 0.792 CA 1.645 25 residues pruned to eliminate duplicates Z: 13 47.558 2.344 1.311 0.904 1.000 0.417 CA 1.805 16 residues pruned to eliminate duplicates Z: 28 36.496 2.012 0.611 0.929 0.963 0.741 CB 1.575 29 residues pruned to eliminate duplicates Z: 24 36.146 2.127 0.744 0.895 1.000 0.870 CA 1.457 25 residues pruned to eliminate duplicates Z: 12 21.705 2.018 0.426 0.864 1.000 0.818 CB 1.666 12 residues pruned to eliminate duplicates Z: 40 38.194 2.064 0.765 0.731 0.974 0.590 CB 1.400 22 residues pruned to eliminate duplicates Z: 13 23.415 1.964 0.626 0.883 1.000 0.917 CB 1.530 12 residues pruned to eliminate duplicates Z: 12 25.215 2.206 0.561 0.863 1.000 0.909 CB 1.620 12 residues pruned to eliminate duplicates Z: 28 28.797 1.962 0.565 0.896 0.926 0.704 CB 1.397 28 residues pruned to eliminate duplicates Z: 12 40.519 2.401 0.958 0.888 1.000 0.727 CB 1.873 12 residues pruned to eliminate duplicates Z: 14 38.083 2.127 1.313 0.902 1.000 0.692 CA 1.532 13 residues pruned to eliminate duplicates Z: 12 16.150 1.850 0.663 0.882 1.000 0.909 CB 1.145 Z: 25 37.782 2.129 0.830 0.912 0.917 0.792 CA 1.529 25 residues pruned to eliminate duplicates Z: 12 24.572 2.228 0.682 0.866 0.909 0.727 CB 1.592 12 residues pruned to eliminate duplicates Z: 23 21.705 2.007 0.164 0.887 0.955 0.818 CB 1.496 23 residues pruned to eliminate duplicates Z: 9 21.831 2.127 0.761 0.868 1.000 0.875 CB 1.506 9 residues pruned to eliminate duplicates Z: 7 9.788 1.933 0.346 0.833 1.000 1.000 CB 1.152 7 residues pruned to eliminate duplicates Z: 13 31.365 2.184 1.056 0.856 1.000 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 68 42.553 2.195 0.644 0.587 0.896 0.657 CB 1.480 46 residues pruned to eliminate duplicates Z: 28 43.710 2.208 0.851 0.932 0.963 0.481 CB 1.493 28 residues pruned to eliminate duplicates Z: 9 14.882 1.954 0.429 0.859 0.875 0.875 O 1.585 9 residues pruned to eliminate duplicates Z: 13 24.888 2.088 0.507 0.844 1.000 0.667 CA 1.698 13 residues pruned to eliminate duplicates Z: 30 54.627 2.215 1.062 0.948 1.000 0.621 CB 1.533 30 residues pruned to eliminate duplicates Z: 6 9.895 1.788 0.726 0.785 1.000 1.000 CB 1.115 Z: 13 45.369 2.307 1.250 0.922 1.000 0.333 CB 1.775 13 residues pruned to eliminate duplicates Z: 15 23.593 2.133 0.366 0.882 0.929 0.786 CB 1.687 15 residues pruned to eliminate duplicates Z: 12 16.955 1.976 0.583 0.894 0.909 0.818 CA 1.290 12 residues pruned to eliminate duplicates Z: 13 19.339 2.099 0.507 0.846 0.917 0.750 CB 1.430 13 residues pruned to eliminate duplicates Z: 9 10.386 1.788 0.581 0.752 0.875 0.750 CA 1.186 9 residues pruned to eliminate duplicates Z: 16 28.834 2.163 0.575 0.937 1.000 0.867 CA 1.521 16 residues pruned to eliminate duplicates Z: 13 18.783 2.069 0.344 0.870 1.000 0.917 CB 1.423 13 residues pruned to eliminate duplicates Z: 16 14.297 1.918 0.452 0.549 0.933 0.533 CB 1.354 16 residues pruned to eliminate duplicates Z: 11 4.654 1.909 0.034 0.372 0.600 0.400 CB 1.424 Z: 10 15.489 2.136 0.185 0.877 1.000 0.889 CB 1.482 11 residues pruned to eliminate duplicates Z: 59 35.813 2.075 0.458 0.658 0.948 0.690 CB 1.415 48 residues pruned to eliminate duplicates Z: 10 11.785 1.704 0.314 0.793 1.000 0.778 CB 1.357 Z: 13 24.409 2.008 0.591 0.865 1.000 0.750 CA 1.615 Z: 29 35.248 1.974 0.642 0.945 0.964 0.893 CB 1.474 29 residues pruned to eliminate duplicates Z: 17 25.875 2.037 0.602 0.845 0.938 0.750 CB 1.571 17 residues pruned to eliminate duplicates Z: 15 19.773 1.892 0.612 0.877 1.000 0.929 CB 1.258 15 residues pruned to eliminate duplicates Z: 12 22.221 2.092 0.602 0.841 0.909 0.818 CB 1.639 12 residues pruned to eliminate duplicates Z: 17 18.500 1.949 0.180 0.861 0.875 0.812 CA 1.689 17 residues pruned to eliminate duplicates Z: 15 33.337 2.263 0.696 0.913 1.000 0.786 CA 1.642 15 residues pruned to eliminate duplicates Z: 15 23.886 2.113 0.771 0.876 0.857 0.714 CB 1.447 15 residues pruned to eliminate duplicates Z: 14 33.240 2.247 0.839 0.855 1.000 0.692 CA 1.648 14 residues pruned to eliminate duplicates Z: 14 26.596 2.000 0.593 0.877 1.000 0.615 CA 1.681 13 residues pruned to eliminate duplicates Z: 23 28.940 2.095 0.425 0.907 0.955 0.864 CB 1.539 23 residues pruned to eliminate duplicates Z: 13 23.424 2.032 0.639 0.903 0.917 0.250 CB 1.578 Z: 7 4.668 1.511 0.316 0.448 0.833 0.500 CB 1.212 Z: 17 21.084 1.886 0.280 0.903 1.000 1.000 CA 1.557 17 residues pruned to eliminate duplicates Z: 10 15.048 2.047 0.123 0.842 1.000 0.667 CB 1.626 10 residues pruned to eliminate duplicates Z: 30 49.285 2.143 0.959 0.890 0.966 0.724 CB 1.624 30 residues pruned to eliminate duplicates Z: 14 22.736 1.851 0.551 0.893 1.000 0.923 CB 1.577 14 residues pruned to eliminate duplicates Z: 27 30.101 1.948 0.395 0.939 1.000 1.000 CA 1.509 27 residues pruned to eliminate duplicates Z: 14 18.690 1.855 0.579 0.788 0.923 0.538 CB 1.488 14 residues pruned to eliminate duplicates Z: 20 26.041 2.021 0.685 0.917 0.895 0.632 CB 1.384 20 residues pruned to eliminate duplicates Z: 12 22.837 1.992 0.911 0.885 0.909 0.727 CB 1.437 11 residues pruned to eliminate duplicates Z: 11 10.910 1.890 0.639 0.380 0.900 0.500 CB 1.407 Z: 15 13.864 2.042 0.611 0.598 0.857 0.500 CB 1.197 15 residues pruned to eliminate duplicates Z: 13 23.098 2.047 0.486 0.904 1.000 1.000 CB 1.561 13 residues pruned to eliminate duplicates Z: 15 32.736 2.257 0.671 0.920 1.000 0.857 CA 1.634 15 residues pruned to eliminate duplicates Z: 14 19.957 1.874 0.571 0.899 1.000 0.923 CB 1.344 14 residues pruned to eliminate duplicates Z: 12 24.544 2.136 0.830 0.865 0.909 0.818 CA 1.526 12 residues pruned to eliminate duplicates Z: 14 23.145 1.954 0.474 0.889 1.000 0.692 CA 1.605 14 residues pruned to eliminate duplicates Z: 8 6.410 1.885 0.557 0.636 0.857 0.857 CB 0.848 Z: 21 25.992 1.990 0.551 0.819 0.900 0.750 CB 1.586 21 residues pruned to eliminate duplicates Z: 17 24.251 1.873 0.607 0.885 1.000 0.688 CA 1.454 15 residues pruned to eliminate duplicates Z: 12 9.129 1.921 0.298 0.545 0.818 0.818 CB 1.291 12 residues pruned to eliminate duplicates Z: 23 17.089 2.087 0.663 0.455 0.818 0.409 CB 1.343 23 residues pruned to eliminate duplicates Z: 28 22.107 2.184 0.542 0.551 0.852 0.593 CB 1.411 32 residues pruned to eliminate duplicates Z: 8 4.943 1.926 0.471 0.526 0.714 0.429 CB 0.900 Z: 18 28.565 2.158 0.772 0.894 0.824 0.588 CB 1.578 18 residues pruned to eliminate duplicates Z: 29 29.881 1.965 0.308 0.887 1.000 0.786 CA 1.583 29 residues pruned to eliminate duplicates Z: 35 15.022 1.955 0.413 0.442 0.882 0.412 CB 1.122 32 residues pruned to eliminate duplicates Z: 15 18.984 2.015 0.878 0.750 0.857 0.571 CB 1.251 15 residues pruned to eliminate duplicates Z: 22 45.929 2.141 0.948 0.923 1.000 0.810 CA 1.689 21 residues pruned to eliminate duplicates Z: 10 3.111 1.616 0.354 0.271 0.667 0.333 CB 0.922 10 residues pruned to eliminate duplicates Z: 10 20.095 2.148 0.341 0.901 1.000 0.889 CB 1.660 10 residues pruned to eliminate duplicates Z: 7 7.469 2.006 0.341 0.455 1.000 0.667 CB 1.186 7 residues pruned to eliminate duplicates Z: 28 30.761 2.014 0.343 0.927 1.000 0.815 CB 1.534 28 residues pruned to eliminate duplicates Z: 6 8.955 1.811 0.574 0.734 1.000 0.600 CB 1.138 6 residues pruned to eliminate duplicates Z: 13 16.750 2.075 0.207 0.873 0.917 0.750 CB 1.534 13 residues pruned to eliminate duplicates Z: 15 22.328 1.902 0.711 0.883 1.000 0.786 CB 1.326 15 residues pruned to eliminate duplicates Z: 11 10.018 1.929 0.738 0.498 0.800 0.600 CB 1.184 12 residues pruned to eliminate duplicates Z: 13 18.331 2.050 0.242 0.883 1.000 0.750 CB 1.503 12 residues pruned to eliminate duplicates Z: 7 5.400 1.951 0.186 0.399 1.000 0.500 CB 1.060 7 residues pruned to eliminate duplicates Z: 25 42.371 2.171 1.019 0.913 0.875 0.708 CB 1.596 25 residues pruned to eliminate duplicates Z: 6 9.393 1.901 0.694 0.827 0.800 0.800 CA 1.228 7 residues pruned to eliminate duplicates Z: 16 20.587 1.969 0.401 0.875 0.933 0.667 CB 1.501 16 residues pruned to eliminate duplicates Z: 12 28.006 2.168 0.858 0.887 1.000 0.727 CB 1.511 12 residues pruned to eliminate duplicates Z: 11 16.943 2.078 0.306 0.866 1.000 0.800 CB 1.446 10 residues pruned to eliminate duplicates Z: 13 16.465 2.035 0.641 0.861 0.750 0.083 CB 1.394 13 residues pruned to eliminate duplicates Z: 27 45.555 2.136 0.919 0.929 0.962 0.731 CB 1.586 27 residues pruned to eliminate duplicates Z: 30 46.868 2.263 0.796 0.918 0.931 0.862 CA 1.622 30 residues pruned to eliminate duplicates Z: 31 53.497 2.242 0.881 0.905 1.000 0.767 CA 1.649 31 residues pruned to eliminate duplicates Z: 27 27.866 2.241 0.605 0.515 0.962 0.654 CB 1.556 25 residues pruned to eliminate duplicates Z: 13 18.282 2.050 0.411 0.918 1.000 0.917 CB 1.286 13 residues pruned to eliminate duplicates Z: 24 21.003 1.964 0.454 0.605 0.913 0.609 CB 1.520 22 residues pruned to eliminate duplicates Z: 15 23.748 2.004 0.671 0.849 0.929 0.786 CB 1.513 15 residues pruned to eliminate duplicates Z: 26 27.600 2.004 0.289 0.920 1.000 0.880 CB 1.505 26 residues pruned to eliminate duplicates Z: 14 16.001 1.916 0.374 0.873 0.846 0.615 CB 1.451 14 residues pruned to eliminate duplicates Z: 22 25.795 2.079 0.602 0.838 0.952 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 15 22.021 1.884 0.764 0.879 1.000 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 17 19.678 2.050 0.187 0.833 1.000 0.688 CA 1.516 17 residues pruned to eliminate duplicates Z: 13 20.718 2.015 0.919 0.857 0.917 0.750 CB 1.243 13 residues pruned to eliminate duplicates Z: 31 47.853 2.148 0.942 0.879 0.900 0.767 CB 1.688 31 residues pruned to eliminate duplicates Z: 12 19.526 2.077 0.612 0.861 0.909 0.455 CB 1.421 12 residues pruned to eliminate duplicates Z: 24 20.267 1.724 0.535 0.912 0.957 0.739 CB 1.182 Z: 25 29.243 1.987 0.415 0.932 1.000 0.875 CB 1.482 25 residues pruned to eliminate duplicates Z: 8 7.789 1.776 0.735 0.326 0.857 0.429 N 1.348 Z: 14 24.694 1.951 0.574 0.907 1.000 0.769 CB 1.586 14 residues pruned to eliminate duplicates Z: 29 18.609 2.094 0.576 0.405 0.857 0.429 CB 1.373 29 residues pruned to eliminate duplicates Z: 14 17.728 1.974 0.428 0.878 1.000 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 29 27.088 1.880 0.790 0.834 0.893 0.607 CB 1.277 29 residues pruned to eliminate duplicates Z: 55 21.313 1.940 0.636 0.392 0.870 0.574 CB 1.177 47 residues pruned to eliminate duplicates Z: 6 8.112 1.933 0.116 0.816 1.000 1.000 CB 1.279 Z: 7 22.087 2.309 0.730 0.873 1.000 0.667 CA 1.643 7 residues pruned to eliminate duplicates Z: 23 22.431 1.768 0.591 0.932 0.955 0.682 CB 1.244 24 residues pruned to eliminate duplicates Z: 7 9.728 1.804 0.514 0.858 1.000 0.833 CB 1.071 7 residues pruned to eliminate duplicates Z: 22 20.809 1.770 0.338 0.938 1.000 0.952 CB 1.334 22 residues pruned to eliminate duplicates Z: 12 21.488 2.040 0.501 0.855 1.000 0.818 CA 1.561 12 residues pruned to eliminate duplicates Z: 28 24.394 2.126 0.407 0.663 0.963 0.704 CB 1.401 28 residues pruned to eliminate duplicates Z: 23 17.817 1.988 0.300 0.603 0.864 0.591 CB 1.543 23 residues pruned to eliminate duplicates Z: 20 30.830 2.018 0.854 0.905 0.947 0.421 CB 1.420 20 residues pruned to eliminate duplicates Z: 16 19.434 1.933 0.361 0.879 0.933 0.867 CA 1.481 16 residues pruned to eliminate duplicates Z: 53 50.598 2.255 1.022 0.683 0.962 0.500 CB 1.353 53 residues pruned to eliminate duplicates Z: 12 12.280 1.890 0.402 0.879 1.000 1.000 CB 1.014 12 residues pruned to eliminate duplicates Z: 17 17.877 1.754 0.604 0.829 1.000 0.750 CB 1.195 16 residues pruned to eliminate duplicates Z: 13 10.438 1.667 0.347 0.844 0.833 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 8 6.558 1.642 0.642 0.494 0.857 0.286 CB 1.079 8 residues pruned to eliminate duplicates Z: 30 48.302 2.167 0.807 0.913 0.966 0.690 CA 1.679 31 residues pruned to eliminate duplicates Z: 28 31.208 1.966 0.952 0.913 0.926 0.407 CB 1.196 28 residues pruned to eliminate duplicates Z: 22 29.779 2.046 0.703 0.871 0.952 0.619 CB 1.428 22 residues pruned to eliminate duplicates Z: 6 6.991 1.812 0.273 0.451 1.000 0.800 CA 1.425 Z: 29 25.400 2.101 0.602 0.631 0.929 0.536 CB 1.358 29 residues pruned to eliminate duplicates Z: 16 19.667 1.869 0.518 0.844 0.933 0.667 CB 1.427 16 residues pruned to eliminate duplicates Z: 11 11.582 1.829 0.478 0.776 0.800 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 10 13.065 2.008 0.634 0.438 1.000 0.667 CB 1.415 10 residues pruned to eliminate duplicates Z: 15 17.916 1.933 0.403 0.868 1.000 0.714 CB 1.290 15 residues pruned to eliminate duplicates Z: 54 45.909 2.205 1.115 0.687 0.887 0.358 CB 1.284 62 residues pruned to eliminate duplicates Z: 6 16.678 2.153 0.800 0.840 1.000 0.800 CA 1.436 7 residues pruned to eliminate duplicates Z: 16 20.827 1.931 0.626 0.820 0.933 0.600 CB 1.390 15 residues pruned to eliminate duplicates Z: 13 19.594 1.981 0.404 0.868 1.000 0.917 CB 1.485 13 residues pruned to eliminate duplicates Z: 15 21.854 1.906 0.528 0.924 1.000 0.929 CB 1.409 15 residues pruned to eliminate duplicates Z: 37 16.285 2.018 0.327 0.448 0.806 0.639 CB 1.328 40 residues pruned to eliminate duplicates Z: 29 26.886 2.139 0.542 0.604 0.929 0.643 CB 1.503 29 residues pruned to eliminate duplicates Z: 12 24.671 2.057 0.748 0.891 1.000 0.727 CB 1.487 12 residues pruned to eliminate duplicates Z: 13 26.045 1.952 0.699 0.879 1.000 0.917 CA 1.643 13 residues pruned to eliminate duplicates Z: 13 17.835 1.885 0.561 0.874 1.000 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 22 21.133 1.872 0.489 0.821 0.952 0.714 CB 1.315 22 residues pruned to eliminate duplicates Z: 11 8.191 1.949 0.139 0.451 0.900 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 13 29.839 2.170 0.869 0.875 0.917 0.500 CA 1.684 13 residues pruned to eliminate duplicates Z: 7 4.994 2.010 0.116 0.681 1.000 0.833 CB 0.770 7 residues pruned to eliminate duplicates Z: 10 14.184 2.120 0.294 0.871 1.000 0.889 CB 1.257 10 residues pruned to eliminate duplicates Z: 19 20.295 1.837 0.492 0.912 1.000 0.889 CB 1.236 19 residues pruned to eliminate duplicates Z: 24 21.075 1.738 0.458 0.920 0.957 0.696 CB 1.277 24 residues pruned to eliminate duplicates Z: 15 30.899 2.059 0.761 0.909 1.000 0.786 CB 1.616 16 residues pruned to eliminate duplicates Z: 27 16.247 1.773 0.584 0.613 0.885 0.615 CB 1.151 26 residues pruned to eliminate duplicates Z: 14 24.140 1.893 0.589 0.899 1.000 0.846 CB 1.592 14 residues pruned to eliminate duplicates Z: 10 17.922 1.878 0.664 0.819 0.889 0.667 C 1.630 10 residues pruned to eliminate duplicates Z: 12 15.733 1.958 0.667 0.857 0.909 0.545 CB 1.178 Z: 29 34.524 1.954 0.701 0.908 0.964 0.786 CB 1.446 29 residues pruned to eliminate duplicates Z: 13 21.949 1.975 0.473 0.922 1.000 1.000 CB 1.532 13 residues pruned to eliminate duplicates Z: 13 21.440 2.038 0.653 0.855 0.917 0.750 CA 1.479 13 residues pruned to eliminate duplicates Z: 15 20.899 1.992 0.477 0.877 0.929 0.571 CB 1.484 15 residues pruned to eliminate duplicates Z: 9 11.920 1.707 0.416 0.823 1.000 0.500 CB 1.318 9 residues pruned to eliminate duplicates Z: 8 2.270 1.387 0.465 0.261 0.571 0.286 C 0.970 Z: 27 31.725 1.979 0.742 0.904 0.962 0.615 CB 1.337 27 residues pruned to eliminate duplicates Z: 43 30.804 1.912 0.581 0.625 1.000 0.667 CB 1.397 43 residues pruned to eliminate duplicates Z: 11 6.394 1.786 0.446 0.334 0.700 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 29 29.815 1.962 0.703 0.916 0.857 0.679 CB 1.390 29 residues pruned to eliminate duplicates Z: 16 18.733 1.996 0.401 0.876 0.800 0.733 CB 1.571 16 residues pruned to eliminate duplicates Z: 16 14.376 2.017 0.409 0.511 0.867 0.600 CB 1.491 16 residues pruned to eliminate duplicates Z: 19 22.316 1.977 0.543 0.870 0.889 0.667 CB 1.415 19 residues pruned to eliminate duplicates Z: 11 14.190 2.055 0.512 0.840 0.900 0.600 CB 1.198 11 residues pruned to eliminate duplicates Z: 10 11.049 1.751 0.910 0.826 0.889 0.889 CA 0.935 10 residues pruned to eliminate duplicates Z: 9 13.668 2.165 0.217 0.844 0.875 0.625 CB 1.560 9 residues pruned to eliminate duplicates Z: 13 21.674 1.907 0.848 0.855 1.000 0.500 CB 1.310 14 residues pruned to eliminate duplicates Z: 6 4.116 1.931 -0.080 0.613 0.800 0.600 CB 1.163 Z: 17 13.346 1.792 0.489 0.582 0.875 0.625 N 1.320 17 residues pruned to eliminate duplicates Z: 64 27.332 1.897 0.465 0.541 0.937 0.635 CB 1.271 64 residues pruned to eliminate duplicates Z: 6 12.046 1.959 0.664 0.741 1.000 0.800 CA 1.332 Z: 15 16.331 1.850 0.308 0.849 0.929 0.857 CB 1.440 15 residues pruned to eliminate duplicates Z: 12 28.822 2.112 0.850 0.896 1.000 0.727 CB 1.594 12 residues pruned to eliminate duplicates Z: 12 17.786 1.897 0.784 0.888 0.909 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 17 19.338 2.093 0.274 0.850 0.938 0.938 CA 1.432 17 residues pruned to eliminate duplicates Z: 13 19.886 1.857 0.720 0.846 1.000 0.667 N 1.335 13 residues pruned to eliminate duplicates Z: 14 26.238 1.907 0.601 0.891 1.000 0.846 CB 1.713 14 residues pruned to eliminate duplicates Z: 6 5.742 1.471 0.648 0.715 0.800 0.400 CB 1.090 6 residues pruned to eliminate duplicates Z: 14 14.822 1.892 0.326 0.799 0.923 0.846 CA 1.367 14 residues pruned to eliminate duplicates Z: 11 4.345 1.656 0.638 0.233 0.600 0.300 CB 1.151 11 residues pruned to eliminate duplicates Z: 17 7.938 1.813 0.257 0.357 0.812 0.562 CB 1.251 17 residues pruned to eliminate duplicates Z: 14 21.270 1.958 0.506 0.837 0.923 0.692 CB 1.622 14 residues pruned to eliminate duplicates Z: 6 5.442 2.113 -0.159 0.817 1.000 0.800 CB 1.040 6 residues pruned to eliminate duplicates Z: 18 23.181 1.958 0.359 0.857 1.000 0.824 CA 1.558 18 residues pruned to eliminate duplicates Z: 7 9.210 2.015 0.420 0.609 1.000 0.667 CB 1.185 7 residues pruned to eliminate duplicates Z: 15 19.395 1.839 0.443 0.878 1.000 0.857 CB 1.418 15 residues pruned to eliminate duplicates Z: 8 8.953 1.756 0.749 0.433 1.000 0.429 N 1.181 Z: 16 33.661 2.190 0.613 0.943 1.000 0.933 CA 1.706 16 residues pruned to eliminate duplicates Z: 17 22.590 1.995 0.266 0.854 1.000 0.750 CB 1.652 17 residues pruned to eliminate duplicates Z: 7 7.915 1.735 0.336 0.840 1.000 0.667 CB 1.040 Z: 12 29.679 2.149 0.877 0.878 1.000 0.636 CB 1.610 12 residues pruned to eliminate duplicates Z: 7 9.604 2.152 0.364 0.884 1.000 1.000 CA 0.965 7 residues pruned to eliminate duplicates Z: 16 20.857 2.110 0.498 0.786 0.867 0.867 CA 1.529 16 residues pruned to eliminate duplicates Z: 9 13.979 2.015 0.700 0.873 0.750 0.625 CA 1.401 9 residues pruned to eliminate duplicates Z: 15 27.180 2.041 0.796 0.863 0.929 0.500 CA 1.565 15 residues pruned to eliminate duplicates Z: 6 4.476 1.764 0.528 0.662 0.800 0.600 CB 0.799 Z: 7 9.037 1.800 0.585 0.765 0.833 0.833 CA 1.227 7 residues pruned to eliminate duplicates Z: 14 24.122 1.956 0.547 0.872 1.000 0.769 CA 1.611 14 residues pruned to eliminate duplicates Z: 14 23.130 2.067 0.627 0.819 0.923 0.462 N 1.567 14 residues pruned to eliminate duplicates Z: 23 17.768 1.734 0.292 0.865 0.955 0.727 CB 1.298 23 residues pruned to eliminate duplicates Z: 7 11.948 2.117 0.251 0.795 1.000 0.667 CB 1.424 7 residues pruned to eliminate duplicates Z: 24 12.712 1.985 0.333 0.447 0.870 0.565 CB 1.216 24 residues pruned to eliminate duplicates Z: 8 10.174 1.792 0.497 0.882 0.857 0.857 CB 1.210 7 residues pruned to eliminate duplicates Z: 17 27.846 2.139 0.661 0.822 0.938 0.875 CA 1.580 17 residues pruned to eliminate duplicates Z: 8 12.927 1.931 0.149 0.894 1.000 1.000 O 1.580 8 residues pruned to eliminate duplicates Z: 16 21.433 1.971 0.460 0.870 0.933 0.600 CB 1.504 16 residues pruned to eliminate duplicates Z: 15 21.899 1.893 0.508 0.833 1.000 0.714 CA 1.538 15 residues pruned to eliminate duplicates Z: 23 30.792 2.053 0.561 0.910 0.955 0.864 CB 1.522 23 residues pruned to eliminate duplicates Z: 16 17.832 1.867 0.351 0.889 0.933 0.867 CA 1.408 16 residues pruned to eliminate duplicates Z: 32 35.644 2.072 0.855 0.880 0.935 0.484 CB 1.290 32 residues pruned to eliminate duplicates Z: 11 22.471 2.034 0.771 0.910 1.000 0.700 CB 1.399 11 residues pruned to eliminate duplicates Z: 8 10.016 1.907 0.513 0.877 1.000 0.857 CB 0.952 6 residues pruned to eliminate duplicates Z: 17 20.348 1.756 0.718 0.925 0.938 0.688 CB 1.262 17 residues pruned to eliminate duplicates Z: 14 24.217 2.048 0.800 0.846 1.000 0.538 CB 1.354 14 residues pruned to eliminate duplicates Z: 26 36.059 2.101 1.057 0.901 0.880 0.720 CB 1.353 26 residues pruned to eliminate duplicates Z: 7 2.427 1.483 0.501 0.397 0.667 0.500 CB 0.745 Z: 16 24.063 2.066 0.859 0.749 0.867 0.533 CB 1.495 16 residues pruned to eliminate duplicates Z: 13 19.404 1.906 0.417 0.917 1.000 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 33 53.559 2.294 0.893 0.801 0.938 0.812 CB 1.787 38 residues pruned to eliminate duplicates Z: 14 17.754 1.803 0.472 0.908 1.000 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 27 11.764 1.977 0.593 0.357 0.885 0.423 CB 0.967 30 residues pruned to eliminate duplicates Z: 43 33.695 1.998 0.693 0.670 0.929 0.667 CB 1.415 43 residues pruned to eliminate duplicates Z: 17 19.670 1.862 0.765 0.802 0.875 0.625 CB 1.313 17 residues pruned to eliminate duplicates Z: 21 12.541 1.727 0.613 0.482 0.800 0.450 CB 1.281 21 residues pruned to eliminate duplicates Z: 8 13.744 1.798 0.757 0.809 1.000 0.571 CB 1.255 7 residues pruned to eliminate duplicates Z: 23 25.465 2.022 0.456 0.855 0.909 0.773 CB 1.498 23 residues pruned to eliminate duplicates Z: 19 14.767 2.029 0.490 0.459 0.889 0.722 CB 1.351 19 residues pruned to eliminate duplicates Z: 11 21.506 2.016 0.749 0.899 1.000 0.600 CB 1.378 12 residues pruned to eliminate duplicates Z: 7 9.731 1.827 0.366 0.807 0.833 0.500 N 1.461 7 residues pruned to eliminate duplicates Z: 10 15.431 1.800 0.649 0.808 0.889 0.444 N 1.491 10 residues pruned to eliminate duplicates Z: 14 29.396 2.131 0.601 0.924 1.000 0.615 CB 1.678 14 residues pruned to eliminate duplicates Z: 17 19.136 1.845 0.611 0.894 1.000 0.625 CB 1.155 17 residues pruned to eliminate duplicates Z: 40 53.395 2.273 0.897 0.764 0.974 0.769 CB 1.610 52 residues pruned to eliminate duplicates Z: 17 10.556 1.683 0.071 0.864 0.875 0.875 CB 1.227 Z: 19 30.965 2.158 0.660 0.867 0.944 0.722 CB 1.578 19 residues pruned to eliminate duplicates Z: 18 20.825 1.935 0.466 0.880 0.882 0.824 CB 1.463 18 residues pruned to eliminate duplicates Z: 17 19.479 1.769 0.527 0.882 1.000 0.688 CB 1.304 14 residues pruned to eliminate duplicates Z: 41 14.228 1.914 0.577 0.376 0.775 0.450 CB 1.097 41 residues pruned to eliminate duplicates Z: 14 19.290 1.831 0.692 0.910 0.923 0.846 CA 1.328 11 residues pruned to eliminate duplicates Z: 10 14.450 2.078 0.308 0.862 1.000 1.000 CB 1.301 10 residues pruned to eliminate duplicates Z: 30 39.674 2.214 0.555 0.904 0.966 0.828 CA 1.579 30 residues pruned to eliminate duplicates Z: 14 17.161 1.833 0.454 0.898 1.000 0.846 CB 1.277 14 residues pruned to eliminate duplicates Z: 9 16.382 1.860 0.625 0.863 1.000 0.750 N 1.407 9 residues pruned to eliminate duplicates Z: 14 13.462 1.777 0.465 0.605 1.000 0.538 CB 1.297 Z: 9 11.231 1.755 0.313 0.828 1.000 0.625 CB 1.298 9 residues pruned to eliminate duplicates Z: 6 12.365 2.241 0.181 0.839 1.000 1.000 CB 1.561 6 residues pruned to eliminate duplicates Z: 20 11.148 1.909 0.551 0.355 0.737 0.421 CB 1.371 20 residues pruned to eliminate duplicates Z: 9 25.627 2.173 0.752 0.850 1.000 0.875 CA 1.763 9 residues pruned to eliminate duplicates Z: 28 38.867 2.237 0.560 0.876 0.963 0.852 CA 1.618 28 residues pruned to eliminate duplicates Z: 12 24.864 2.093 0.626 0.824 1.000 0.727 CA 1.664 12 residues pruned to eliminate duplicates Z: 8 12.069 1.849 0.558 0.721 1.000 0.714 CB 1.297 8 residues pruned to eliminate duplicates Z: 52 22.352 1.795 0.523 0.456 0.902 0.431 CB 1.327 52 residues pruned to eliminate duplicates Z: 16 22.059 1.903 0.567 0.900 0.933 0.467 CB 1.462 16 residues pruned to eliminate duplicates Z: 16 25.077 2.168 0.549 0.831 0.933 0.667 CA 1.552 16 residues pruned to eliminate duplicates Z: 16 24.477 1.818 0.843 0.898 0.933 0.800 CA 1.446 16 residues pruned to eliminate duplicates Z: 10 9.706 2.038 0.502 0.348 0.889 0.333 CA 1.401 10 residues pruned to eliminate duplicates Z: 8 6.460 1.739 0.437 0.323 0.857 0.286 O 1.384 8 residues pruned to eliminate duplicates Z: 10 5.438 1.581 0.304 0.368 0.778 0.333 O 1.303 10 residues pruned to eliminate duplicates Z: 9 17.524 1.985 0.447 0.895 1.000 1.000 N 1.547 9 residues pruned to eliminate duplicates Z: 9 14.190 1.896 0.486 0.739 1.000 0.625 CB 1.437 9 residues pruned to eliminate duplicates Z: 28 26.990 1.983 0.750 0.698 0.926 0.593 CB 1.349 18 residues pruned to eliminate duplicates Z: 43 54.236 2.256 0.954 0.751 0.905 0.714 CB 1.677 43 residues pruned to eliminate duplicates Z: 8 9.558 1.899 0.344 0.797 0.857 0.571 CA 1.273 8 residues pruned to eliminate duplicates Z: 13 5.325 1.603 0.420 0.418 0.833 0.500 CB 0.882 Z: 8 6.557 1.940 0.912 0.582 1.000 0.429 CB 0.617 Z: 17 29.316 2.063 0.710 0.909 0.938 0.750 CA 1.572 17 residues pruned to eliminate duplicates Z: 6 9.934 1.989 0.312 0.810 1.000 0.800 CB 1.300 6 residues pruned to eliminate duplicates Z: 28 30.352 1.955 0.486 0.911 1.000 0.778 CB 1.425 28 residues pruned to eliminate duplicates Z: 10 7.607 1.614 0.766 0.499 0.889 0.556 CB 1.002 8 residues pruned to eliminate duplicates Z: 12 4.087 1.649 0.347 0.456 0.909 0.636 CB 0.638 Z: 9 10.853 1.769 0.475 0.894 1.000 0.875 CB 1.055 8 residues pruned to eliminate duplicates Z: 14 28.843 1.966 0.881 0.910 1.000 0.692 CA 1.535 14 residues pruned to eliminate duplicates Z: 28 32.471 1.997 0.548 0.910 1.000 0.815 CB 1.433 28 residues pruned to eliminate duplicates Z: 11 17.269 1.824 0.456 0.891 1.000 0.800 CB 1.478 11 residues pruned to eliminate duplicates Z: 12 18.252 2.123 0.387 0.940 1.000 1.000 CB 1.298 12 residues pruned to eliminate duplicates Z: 14 12.661 1.814 0.730 0.642 0.923 0.769 CB 1.061 Z: 31 43.041 2.148 0.755 0.918 0.967 0.867 CA 1.520 31 residues pruned to eliminate duplicates Z: 6 11.787 1.939 0.566 0.760 1.000 1.000 CA 1.378 6 residues pruned to eliminate duplicates Z: 19 16.995 1.747 0.405 0.917 1.000 0.944 CB 1.151 19 residues pruned to eliminate duplicates Z: 15 25.308 2.093 0.828 0.829 0.929 0.643 CB 1.432 15 residues pruned to eliminate duplicates Z: 12 14.822 1.905 0.462 0.898 1.000 0.818 CB 1.148 13 residues pruned to eliminate duplicates Z: 11 12.464 1.746 0.615 0.898 0.900 0.400 CB 1.110 6 residues pruned to eliminate duplicates Z: 8 17.531 1.885 0.688 0.852 1.000 0.571 CB 1.540 8 residues pruned to eliminate duplicates Z: 22 22.547 2.059 0.174 0.893 0.952 0.952 CB 1.534 22 residues pruned to eliminate duplicates Z: 16 16.539 1.956 0.275 0.817 0.933 0.600 CB 1.392 16 residues pruned to eliminate duplicates Z: 6 5.925 1.666 0.485 0.743 1.000 0.800 CB 0.862 6 residues pruned to eliminate duplicates Z: 13 15.531 1.882 0.366 0.896 1.000 0.917 CB 1.249 13 residues pruned to eliminate duplicates Z: 7 11.752 1.814 0.580 0.847 1.000 0.833 CA 1.243 6 residues pruned to eliminate duplicates Z: 10 19.072 2.040 0.518 0.866 1.000 0.778 CB 1.502 10 residues pruned to eliminate duplicates Z: 7 7.544 1.862 0.272 0.671 0.833 0.833 CB 1.333 7 residues pruned to eliminate duplicates Z: 32 53.256 2.187 0.987 0.925 1.000 0.581 CB 1.544 32 residues pruned to eliminate duplicates Z: 29 49.622 2.225 1.046 0.877 0.964 0.536 CB 1.552 29 residues pruned to eliminate duplicates Z: 39 12.658 1.840 0.358 0.321 0.816 0.395 CB 1.227 39 residues pruned to eliminate duplicates Z: 9 15.274 1.903 0.680 0.890 0.875 0.625 CA 1.389 8 residues pruned to eliminate duplicates Z: 8 10.990 2.135 0.079 0.777 0.857 0.571 CB 1.647 9 residues pruned to eliminate duplicates Z: 8 7.601 1.878 0.417 0.912 1.000 0.857 CB 0.765 8 residues pruned to eliminate duplicates Z: 16 20.264 1.831 0.490 0.869 1.000 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 29 22.057 2.201 0.598 0.483 0.857 0.464 CB 1.406 29 residues pruned to eliminate duplicates Z: 7 7.950 1.716 0.344 0.853 0.833 0.833 N 1.248 7 residues pruned to eliminate duplicates Z: 27 30.388 1.942 0.443 0.906 1.000 0.846 CA 1.512 27 residues pruned to eliminate duplicates Z: 12 10.553 1.705 0.628 0.882 0.818 0.273 CB 1.014 11 residues pruned to eliminate duplicates Z: 27 23.393 2.121 0.630 0.641 0.846 0.462 CB 1.375 30 residues pruned to eliminate duplicates Z: 21 21.503 2.136 0.346 0.616 0.900 0.400 CB 1.665 21 residues pruned to eliminate duplicates Z: 28 38.835 2.066 0.669 0.936 1.000 0.926 CA 1.509 28 residues pruned to eliminate duplicates Z: 10 9.543 1.731 0.548 0.663 0.889 0.444 CB 1.148 10 residues pruned to eliminate duplicates Z: 14 24.600 1.882 0.777 0.865 0.923 0.615 CA 1.619 14 residues pruned to eliminate duplicates Z: 23 23.240 2.047 0.396 0.638 1.000 0.682 CB 1.523 23 residues pruned to eliminate duplicates Z: 88 46.130 2.001 0.764 0.597 0.897 0.609 CB 1.425 63 residues pruned to eliminate duplicates Z: 7 6.610 1.600 0.732 0.732 1.000 0.833 CB 0.791 7 residues pruned to eliminate duplicates Z: 7 9.213 2.053 0.504 0.639 0.833 0.833 CB 1.283 6 residues pruned to eliminate duplicates Z: 8 5.862 1.607 0.500 0.610 0.714 0.429 CB 1.160 8 residues pruned to eliminate duplicates Z: 8 11.673 1.766 0.643 0.771 1.000 0.429 CA 1.196 Z: 14 20.880 1.837 0.722 0.906 1.000 0.923 CB 1.303 14 residues pruned to eliminate duplicates Z: 11 19.513 2.081 0.343 0.875 1.000 0.900 CB 1.606 11 residues pruned to eliminate duplicates Z: 6 5.680 1.418 0.435 0.791 1.000 0.800 CA 0.967 6 residues pruned to eliminate duplicates 6 1.479 1.369 0.240 0.541 1.000 0.600 C 0.374 ? Z: 6 4.656 1.703 0.247 0.755 1.000 0.800 CB 0.781 6 residues pruned to eliminate duplicates Z: 12 8.043 1.869 0.480 0.305 0.909 0.455 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 11.208 1.958 0.514 0.397 0.917 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 6 4.943 1.687 0.092 0.525 1.000 0.600 CA 1.171 Z: 16 18.085 1.947 0.386 0.906 1.000 0.800 CB 1.231 16 residues pruned to eliminate duplicates Z: 28 35.382 2.007 0.782 0.925 1.000 0.556 CB 1.335 28 residues pruned to eliminate duplicates Z: 14 22.714 2.009 0.553 0.900 0.923 0.769 CA 1.562 14 residues pruned to eliminate duplicates Z: 24 34.597 2.068 0.925 0.853 1.000 0.696 CB 1.339 24 residues pruned to eliminate duplicates Z: 7 11.381 1.629 1.009 0.784 1.000 0.833 N 1.105 6 residues pruned to eliminate duplicates Z: 27 18.193 2.029 0.623 0.564 0.846 0.654 CB 1.203 27 residues pruned to eliminate duplicates Z: 18 13.667 2.134 0.683 0.388 0.765 0.412 CB 1.359 18 residues pruned to eliminate duplicates Z: 10 10.304 2.006 0.310 0.771 0.778 0.333 CB 1.322 10 residues pruned to eliminate duplicates Z: 16 16.285 1.813 0.375 0.926 0.933 0.667 CB 1.267 16 residues pruned to eliminate duplicates Z: 20 14.260 1.654 0.228 0.915 1.000 0.895 CB 1.138 20 residues pruned to eliminate duplicates Z: 10 8.518 1.898 0.017 0.816 1.000 0.667 CB 1.119 Z: 33 18.105 2.007 0.583 0.516 0.875 0.719 CB 1.134 33 residues pruned to eliminate duplicates Z: 14 20.136 1.961 0.384 0.847 0.923 0.769 CB 1.655 14 residues pruned to eliminate duplicates Z: 29 20.520 2.153 0.552 0.512 0.893 0.321 CB 1.284 27 residues pruned to eliminate duplicates Z: 15 16.300 1.866 0.359 0.839 0.929 0.786 CB 1.382 15 residues pruned to eliminate duplicates Z: 28 26.090 2.048 0.524 0.708 0.926 0.741 CB 1.438 28 residues pruned to eliminate duplicates Z: 29 24.179 2.144 0.479 0.670 0.893 0.643 CB 1.380 29 residues pruned to eliminate duplicates Z: 14 17.678 1.910 0.488 0.817 0.923 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 12 21.425 2.074 0.815 0.576 1.000 0.636 CB 1.595 15 residues pruned to eliminate duplicates Z: 29 34.333 1.980 1.001 0.903 0.964 0.536 CB 1.211 29 residues pruned to eliminate duplicates Z: 13 7.124 1.925 -0.003 0.416 0.917 0.583 CB 1.276 13 residues pruned to eliminate duplicates Z: 6 3.989 1.655 -0.110 0.401 1.000 0.600 CB 1.343 Z: 27 26.155 1.973 0.488 0.920 1.000 0.769 CB 1.230 27 residues pruned to eliminate duplicates Z: 16 28.482 1.936 0.952 0.832 1.000 0.667 CA 1.461 17 residues pruned to eliminate duplicates Z: 8 4.463 1.603 0.521 0.251 0.714 0.429 N 1.290 Z: 11 11.147 1.584 0.363 0.852 0.900 0.800 O 1.342 11 residues pruned to eliminate duplicates Z: 22 29.387 2.057 0.607 0.886 0.952 0.857 CB 1.469 22 residues pruned to eliminate duplicates Z: 11 15.537 2.039 0.353 0.822 1.000 0.700 CB 1.347 11 residues pruned to eliminate duplicates Z: 18 11.862 1.749 0.313 0.510 1.000 0.588 CB 1.241 15 residues pruned to eliminate duplicates Z: 13 16.087 2.015 0.460 0.891 1.000 0.750 CB 1.135 13 residues pruned to eliminate duplicates Z: 32 31.796 2.139 0.691 0.624 0.839 0.452 CB 1.674 32 residues pruned to eliminate duplicates Z: 24 15.600 1.976 0.507 0.368 0.826 0.391 CB 1.523 19 residues pruned to eliminate duplicates Z: 15 20.448 1.838 0.503 0.848 1.000 0.571 CA 1.468 15 residues pruned to eliminate duplicates Z: 6 3.731 1.372 0.390 0.485 0.800 0.600 CB 1.110 Z: 24 33.428 2.060 1.031 0.924 1.000 0.478 CB 1.170 24 residues pruned to eliminate duplicates Z: 18 13.284 1.685 0.356 0.900 0.941 0.471 CB 1.070 18 residues pruned to eliminate duplicates Z: 23 19.866 1.740 0.560 0.918 0.955 0.682 CB 1.154 23 residues pruned to eliminate duplicates Z: 7 4.011 1.579 0.547 0.361 0.667 0.500 N 1.168 Z: 9 2.538 1.705 -0.036 0.345 0.625 0.375 CB 1.034 8 residues pruned to eliminate duplicates Z: 15 17.827 1.847 0.451 0.850 0.929 0.786 CB 1.417 16 residues pruned to eliminate duplicates Z: 10 9.813 1.627 0.182 0.871 1.000 0.778 CB 1.241 10 residues pruned to eliminate duplicates Z: 7 5.392 1.797 0.259 0.775 0.667 0.500 CB 1.145 Z: 22 24.158 2.006 0.339 0.893 1.000 0.714 CB 1.410 22 residues pruned to eliminate duplicates Z: 9 14.530 1.773 0.591 0.815 1.000 0.625 O 1.385 9 residues pruned to eliminate duplicates Z: 8 4.909 1.578 0.962 0.296 0.714 0.571 CB 1.054 Z: 6 11.033 1.863 0.547 0.827 1.000 0.600 CB 1.291 6 residues pruned to eliminate duplicates Z: 8 26.083 2.308 1.041 0.897 0.857 0.714 CB 1.748 8 residues pruned to eliminate duplicates Z: 28 28.834 1.947 0.422 0.881 1.000 0.778 CB 1.452 27 residues pruned to eliminate duplicates Z: 8 9.671 1.740 0.644 0.605 0.857 0.429 CB 1.349 8 residues pruned to eliminate duplicates Z: 16 17.168 1.880 0.157 0.892 1.000 0.800 CB 1.464 16 residues pruned to eliminate duplicates Z: 14 10.081 2.119 0.335 0.389 0.846 0.462 CB 1.314 14 residues pruned to eliminate duplicates Z: 10 6.366 1.619 0.262 0.832 0.778 0.778 CB 1.002 10 residues pruned to eliminate duplicates Z: 29 44.299 2.168 0.934 0.914 0.929 0.679 CB 1.521 29 residues pruned to eliminate duplicates Z: 31 46.761 2.148 0.766 0.943 1.000 0.900 CB 1.559 31 residues pruned to eliminate duplicates Z: 6 5.330 1.533 0.401 0.584 1.000 0.600 CB 1.024 Z: 8 10.433 1.659 0.547 0.801 0.857 0.714 O 1.378 8 residues pruned to eliminate duplicates Z: 26 21.503 2.070 0.714 0.678 0.840 0.440 CB 1.225 14 residues pruned to eliminate duplicates Z: 14 15.156 1.989 0.358 0.507 1.000 0.692 CA 1.546 24 residues pruned to eliminate duplicates Z: 27 18.950 2.103 0.583 0.502 0.885 0.654 CB 1.259 17 residues pruned to eliminate duplicates Z: 11 8.386 1.696 0.162 0.831 0.800 0.700 CB 1.264 Z: 16 21.795 1.928 0.488 0.822 0.933 0.800 CB 1.590 16 residues pruned to eliminate duplicates Z: 18 20.576 1.960 0.307 0.849 1.000 0.882 CB 1.444 18 residues pruned to eliminate duplicates Z: 8 10.055 1.580 0.781 0.868 1.000 1.000 CB 0.987 8 residues pruned to eliminate duplicates Z: 12 35.173 2.395 0.623 0.904 1.000 0.727 CA 1.943 12 residues pruned to eliminate duplicates Z: 16 19.629 2.293 0.673 0.364 0.867 0.533 CA 1.763 16 residues pruned to eliminate duplicates Z: 22 30.726 1.963 0.843 0.885 0.905 0.476 CB 1.479 22 residues pruned to eliminate duplicates Z: 15 30.902 2.085 0.615 0.932 1.000 1.000 CB 1.712 15 residues pruned to eliminate duplicates Z: 8 28.461 2.280 1.076 0.904 1.000 0.571 CA 1.619 8 residues pruned to eliminate duplicates Z: 6 2.302 1.579 0.679 0.400 0.600 0.600 CB 0.719 Z: 16 17.259 1.788 1.155 0.774 0.800 0.400 CB 1.135 16 residues pruned to eliminate duplicates Z: 8 11.031 1.947 0.224 0.805 1.000 0.857 CA 1.341 8 residues pruned to eliminate duplicates Z: 14 21.077 1.819 0.713 0.831 1.000 0.769 CB 1.409 14 residues pruned to eliminate duplicates Z: 6 11.618 2.189 0.457 0.742 1.000 0.800 CA 1.312 6 residues pruned to eliminate duplicates Z: 10 2.632 1.688 0.346 0.283 0.667 0.556 CB 0.739 Z: 14 15.772 1.879 0.274 0.911 1.000 0.846 CB 1.296 14 residues pruned to eliminate duplicates Z: 12 16.971 1.901 0.515 0.858 1.000 0.909 CB 1.308 12 residues pruned to eliminate duplicates Z: 23 31.020 1.993 0.789 0.864 0.909 0.636 CB 1.496 23 residues pruned to eliminate duplicates Z: 23 38.912 2.083 0.834 0.879 1.000 0.591 CB 1.574 23 residues pruned to eliminate duplicates Z: 15 20.050 1.873 0.602 0.860 0.929 0.714 CB 1.415 14 residues pruned to eliminate duplicates Z: 24 27.780 1.850 0.849 0.897 1.000 0.391 CB 1.212 24 residues pruned to eliminate duplicates Z: 23 26.749 2.029 0.372 0.876 1.000 0.864 CB 1.490 23 residues pruned to eliminate duplicates Z: 10 19.343 2.279 0.703 0.537 0.889 0.778 CB 1.801 10 residues pruned to eliminate duplicates Z: 9 8.063 1.739 0.255 0.760 1.000 0.750 CB 1.036 9 residues pruned to eliminate duplicates Z: 9 18.955 2.348 0.383 0.906 1.000 0.875 CA 1.468 9 residues pruned to eliminate duplicates Z: 8 22.521 2.234 0.723 0.888 1.000 1.000 CA 1.593 8 residues pruned to eliminate duplicates Z: 22 21.383 2.068 0.836 0.579 0.905 0.476 CB 1.259 22 residues pruned to eliminate duplicates Z: 28 31.010 2.000 0.321 0.919 1.000 0.852 CB 1.591 28 residues pruned to eliminate duplicates Z: 17 20.142 1.845 0.599 0.888 0.938 0.625 CB 1.312 17 residues pruned to eliminate duplicates Z: 29 23.353 2.122 0.576 0.467 0.893 0.464 CB 1.528 29 residues pruned to eliminate duplicates Z: 29 14.469 1.892 0.338 0.468 0.786 0.500 CB 1.421 29 residues pruned to eliminate duplicates Z: 8 11.902 1.754 0.475 0.855 0.857 0.714 CB 1.498 8 residues pruned to eliminate duplicates Z: 20 32.245 2.142 0.765 0.923 0.947 0.737 CB 1.451 20 residues pruned to eliminate duplicates Z: 16 23.940 1.959 0.585 0.889 0.933 0.600 CB 1.536 15 residues pruned to eliminate duplicates Z: 10 4.337 1.666 0.422 0.264 1.000 0.556 CB 0.799 10 residues pruned to eliminate duplicates Z: 13 17.669 2.027 0.579 0.880 0.917 0.417 CB 1.261 13 residues pruned to eliminate duplicates Z: 6 9.686 1.749 0.579 0.793 1.000 0.800 CA 1.213 6 residues pruned to eliminate duplicates Z: 8 12.487 1.799 0.560 0.773 1.000 0.571 CB 1.321 8 residues pruned to eliminate duplicates Z: 20 17.237 1.646 0.560 0.859 0.895 0.737 CB 1.267 20 residues pruned to eliminate duplicates Z: 27 25.651 2.064 0.684 0.617 0.885 0.462 CB 1.464 27 residues pruned to eliminate duplicates Z: 6 9.706 2.211 0.202 0.429 1.000 0.800 CB 1.759 6 residues pruned to eliminate duplicates Z: 46 23.093 1.997 0.572 0.490 0.911 0.489 CB 1.215 46 residues pruned to eliminate duplicates Z: 28 29.513 2.020 0.391 0.937 1.000 0.926 CB 1.407 28 residues pruned to eliminate duplicates Z: 20 20.310 1.803 0.319 0.913 1.000 0.947 CB 1.387 20 residues pruned to eliminate duplicates Z: 32 32.380 2.029 0.725 0.762 0.903 0.548 CB 1.457 41 residues pruned to eliminate duplicates Z: 15 24.000 1.964 0.710 0.919 1.000 0.357 CB 1.345 15 residues pruned to eliminate duplicates Z: 9 10.180 1.596 0.422 0.886 1.000 0.625 CB 1.144 9 residues pruned to eliminate duplicates Z: 8 5.150 1.957 -0.033 0.508 1.000 0.571 CB 1.020 8 residues pruned to eliminate duplicates Z: 38 19.203 2.054 0.574 0.358 0.865 0.595 CB 1.317 38 residues pruned to eliminate duplicates Z: 10 3.433 1.508 0.243 0.423 0.778 0.556 N 0.851 Z: 9 15.317 1.936 0.428 0.840 1.000 0.875 CB 1.461 9 residues pruned to eliminate duplicates Z: 18 11.448 1.694 0.536 0.507 0.941 0.588 CB 1.125 18 residues pruned to eliminate duplicates Z: 8 5.771 1.504 0.216 0.467 1.000 0.429 CB 1.234 Z: 13 17.783 1.985 0.442 0.839 0.917 0.833 CB 1.461 13 residues pruned to eliminate duplicates Z: 18 28.331 2.137 0.690 0.817 0.941 0.824 CA 1.536 18 residues pruned to eliminate duplicates Z: 28 31.028 1.991 0.430 0.931 0.963 0.815 CB 1.522 28 residues pruned to eliminate duplicates Z: 10 13.627 2.049 0.090 0.861 1.000 0.889 CB 1.494 10 residues pruned to eliminate duplicates Z: 8 2.862 1.560 0.153 0.429 0.857 0.714 CB 0.755 8 residues pruned to eliminate duplicates Z: 10 7.410 1.710 0.347 0.409 0.889 0.889 CB 1.327 Z: 11 24.552 2.194 0.593 0.924 1.000 0.800 CB 1.560 11 residues pruned to eliminate duplicates Z: 13 23.839 2.073 0.530 0.884 1.000 0.667 CA 1.567 13 residues pruned to eliminate duplicates Z: 17 21.361 2.014 0.410 0.844 0.938 0.875 CA 1.493 17 residues pruned to eliminate duplicates Z: 13 20.211 2.176 0.358 0.909 1.000 0.917 CA 1.401 13 residues pruned to eliminate duplicates Z: 15 5.628 1.797 0.440 0.369 0.714 0.500 CB 0.937 15 residues pruned to eliminate duplicates Z: 10 12.629 2.085 0.420 0.506 1.000 0.667 CB 1.413 Z: 14 10.131 1.762 0.521 0.479 0.923 0.462 CB 1.161 Z: 12 21.545 2.017 0.675 0.854 1.000 0.818 CB 1.420 12 residues pruned to eliminate duplicates Z: 23 24.494 2.014 0.531 0.686 0.909 0.636 CB 1.571 23 residues pruned to eliminate duplicates Z: 8 6.908 1.779 0.347 0.567 0.857 0.714 CB 1.192 Z: 25 29.085 1.999 0.406 0.892 1.000 0.708 CB 1.518 25 residues pruned to eliminate duplicates Z: 7 6.690 1.609 0.219 0.755 1.000 0.667 CB 1.110 Z: 19 13.145 1.760 0.535 0.443 0.833 0.389 N 1.459 19 residues pruned to eliminate duplicates Z: 18 7.681 2.046 0.238 0.409 0.706 0.412 CB 1.146 18 residues pruned to eliminate duplicates Z: 43 27.752 2.092 0.768 0.546 0.881 0.571 CB 1.256 42 residues pruned to eliminate duplicates Z: 22 18.282 1.690 0.758 0.919 0.952 0.619 CB 0.994 22 residues pruned to eliminate duplicates Z: 7 7.569 1.716 0.548 0.621 0.833 0.667 CA 1.245 Z: 21 21.780 1.752 0.585 0.906 1.000 0.800 CB 1.247 22 residues pruned to eliminate duplicates Z: 6 2.472 1.670 0.514 0.423 0.600 0.600 CB 0.789 Z: 28 30.163 1.963 0.678 0.913 0.926 0.741 CB 1.348 28 residues pruned to eliminate duplicates Z: 9 11.269 2.116 0.174 0.789 0.875 0.625 CB 1.423 9 residues pruned to eliminate duplicates Z: 6 7.638 2.015 0.776 0.558 0.800 0.800 CB 1.128 6 residues pruned to eliminate duplicates Z: 27 13.264 1.917 0.567 0.397 0.692 0.385 CB 1.394 27 residues pruned to eliminate duplicates Z: 16 15.799 1.674 0.493 0.874 1.000 0.867 CB 1.188 16 residues pruned to eliminate duplicates Z: 17 20.710 2.091 0.344 0.796 0.938 0.812 CA 1.516 17 residues pruned to eliminate duplicates Z: 11 7.192 1.720 0.404 0.392 0.800 0.500 CA 1.319 6 residues pruned to eliminate duplicates Z: 21 20.695 1.780 0.568 0.853 1.000 0.750 CB 1.226 21 residues pruned to eliminate duplicates Z: 7 5.393 1.552 0.385 0.474 1.000 0.500 CB 1.051 7 residues pruned to eliminate duplicates Z: 9 12.368 1.928 0.675 0.796 0.875 0.750 CA 1.193 9 residues pruned to eliminate duplicates Z: 16 27.259 1.936 0.818 0.883 0.933 0.467 CA 1.549 16 residues pruned to eliminate duplicates Z: 18 18.535 1.732 0.406 0.891 1.000 0.824 CB 1.328 18 residues pruned to eliminate duplicates Z: 23 35.804 2.105 0.830 0.898 0.955 0.773 CB 1.485 23 residues pruned to eliminate duplicates Z: 8 14.735 1.866 0.549 0.898 1.000 1.000 CB 1.378 9 residues pruned to eliminate duplicates Z: 13 18.275 1.859 0.617 0.789 1.000 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 6 2.490 1.464 0.619 0.100 0.800 0.400 C 0.979 Z: 23 20.420 1.770 0.574 0.854 0.955 0.500 CB 1.209 23 residues pruned to eliminate duplicates Z: 20 14.083 2.039 0.271 0.532 0.895 0.526 CB 1.351 20 residues pruned to eliminate duplicates Z: 9 11.211 1.720 0.588 0.881 1.000 1.000 CB 1.050 9 residues pruned to eliminate duplicates Z: 21 24.665 1.799 0.658 0.885 1.000 0.750 CB 1.335 21 residues pruned to eliminate duplicates Z: 13 8.048 1.946 0.347 0.501 0.750 0.500 CA 1.181 13 residues pruned to eliminate duplicates Z: 8 5.065 1.575 0.352 0.547 0.714 0.429 CB 1.203 Z: 8 14.604 1.708 0.783 0.822 1.000 0.857 N 1.371 8 residues pruned to eliminate duplicates Z: 8 2.587 1.422 0.080 0.375 0.714 0.429 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 4.269 1.685 0.187 0.419 0.800 0.600 C 1.299 6 residues pruned to eliminate duplicates Z: 6 9.253 2.124 0.727 0.458 0.800 0.600 CA 1.473 6 residues pruned to eliminate duplicates Z: 6 19.711 2.132 1.122 0.874 1.000 1.000 CA 1.418 6 residues pruned to eliminate duplicates Z: 30 44.332 2.215 0.712 0.923 0.966 0.724 CA 1.580 30 residues pruned to eliminate duplicates Z: 17 14.842 1.692 0.283 0.929 1.000 0.938 CB 1.196 17 residues pruned to eliminate duplicates Z: 10 15.985 2.065 0.326 0.815 1.000 0.778 CA 1.480 10 residues pruned to eliminate duplicates Z: 10 10.038 1.693 0.560 0.506 0.889 0.444 CA 1.417 8 residues pruned to eliminate duplicates Z: 13 6.920 1.886 0.040 0.473 1.000 0.500 CB 1.046 12 residues pruned to eliminate duplicates Z: 9 8.261 2.007 0.511 0.414 0.750 0.375 CB 1.405 9 residues pruned to eliminate duplicates Z: 9 13.437 1.713 0.528 0.796 1.000 0.750 CA 1.400 8 residues pruned to eliminate duplicates Z: 13 5.977 1.794 0.243 0.432 1.000 0.333 CB 0.831 Z: 29 40.369 2.016 0.992 0.934 0.964 0.500 CB 1.374 29 residues pruned to eliminate duplicates Z: 13 12.599 1.805 0.318 0.783 0.833 0.500 CB 1.430 16 residues pruned to eliminate duplicates Z: 7 5.118 1.631 0.485 0.490 0.833 0.667 CB 1.045 Z: 15 10.821 1.770 0.297 0.556 0.929 0.786 CB 1.284 15 residues pruned to eliminate duplicates Z: 9 4.508 1.610 0.452 0.480 0.875 0.500 N 0.795 Z: 16 10.811 1.781 0.352 0.596 0.933 0.467 CB 1.133 16 residues pruned to eliminate duplicates Z: 9 3.008 1.779 -0.322 0.586 1.000 0.750 CB 0.812 Z: 16 10.142 1.686 0.122 0.855 0.933 0.867 CB 1.095 16 residues pruned to eliminate duplicates Z: 36 19.484 1.859 0.453 0.656 0.857 0.714 CB 1.230 35 residues pruned to eliminate duplicates Z: 14 20.013 2.266 0.485 0.564 1.000 0.692 CB 1.551 14 residues pruned to eliminate duplicates Z: 29 39.911 2.041 0.935 0.917 0.929 0.643 CB 1.452 29 residues pruned to eliminate duplicates Z: 17 19.371 1.769 0.522 0.845 1.000 0.688 CB 1.338 17 residues pruned to eliminate duplicates Z: 18 15.887 1.687 0.346 0.923 1.000 0.765 CB 1.192 18 residues pruned to eliminate duplicates Z: 6 4.924 1.727 0.802 0.395 0.600 0.400 CB 1.317 6 residues pruned to eliminate duplicates Z: 16 27.128 2.167 0.783 0.882 0.867 0.733 CA 1.514 16 residues pruned to eliminate duplicates Z: 22 21.088 1.764 0.542 0.912 0.952 0.714 CB 1.258 22 residues pruned to eliminate duplicates Z: 9 3.485 1.743 -0.068 0.393 0.750 0.750 CB 1.132 Z: 12 16.637 2.055 0.628 0.914 0.909 0.818 CB 1.166 12 residues pruned to eliminate duplicates Z: 20 14.187 1.787 0.743 0.465 0.789 0.316 CB 1.371 20 residues pruned to eliminate duplicates Z: 24 13.838 1.927 0.566 0.435 0.826 0.522 CB 1.238 24 residues pruned to eliminate duplicates Z: 24 24.901 2.125 0.718 0.683 0.957 0.609 CB 1.258 24 residues pruned to eliminate duplicates Z: 14 11.648 1.610 0.607 0.833 0.923 0.385 CB 1.014 14 residues pruned to eliminate duplicates Z: 12 23.599 2.038 0.595 0.889 1.000 1.000 CB 1.576 12 residues pruned to eliminate duplicates Z: 8 17.704 2.047 0.523 0.879 1.000 1.000 N 1.557 8 residues pruned to eliminate duplicates Z: 12 16.227 1.785 0.663 0.752 0.909 0.636 CB 1.449 12 residues pruned to eliminate duplicates Z: 18 24.282 1.977 0.608 0.829 0.941 0.588 CA 1.481 18 residues pruned to eliminate duplicates Z: 8 10.725 1.866 0.381 0.752 1.000 0.571 CB 1.256 7 residues pruned to eliminate duplicates Z: 9 18.073 1.965 0.469 0.899 1.000 1.000 CB 1.583 9 residues pruned to eliminate duplicates Z: 27 41.425 2.270 1.139 0.677 1.000 0.615 CB 1.422 27 residues pruned to eliminate duplicates Z: 13 12.651 1.769 0.390 0.912 0.917 0.917 CB 1.147 13 residues pruned to eliminate duplicates Z: 30 25.996 1.998 0.619 0.572 0.931 0.655 CB 1.496 30 residues pruned to eliminate duplicates Z: 11 13.670 1.878 0.642 0.864 0.900 0.700 CB 1.142 9 residues pruned to eliminate duplicates Z: 22 23.204 1.907 0.808 0.709 0.952 0.524 CB 1.276 14 residues pruned to eliminate duplicates Z: 12 15.928 1.943 0.493 0.895 1.000 0.636 CB 1.187 12 residues pruned to eliminate duplicates Z: 33 44.240 2.150 1.021 0.750 0.938 0.844 CB 1.536 33 residues pruned to eliminate duplicates Z: 13 16.575 1.904 0.452 0.882 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 13 7.885 1.691 0.047 0.468 1.000 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 20 33.599 2.200 1.098 0.616 0.947 0.684 CB 1.580 20 residues pruned to eliminate duplicates Z: 14 29.138 2.230 0.889 0.596 0.923 0.538 CB 1.896 14 residues pruned to eliminate duplicates Z: 6 4.535 1.682 0.704 0.829 1.000 0.800 CA 0.532 Z: 12 26.020 1.985 1.012 0.878 0.909 0.727 CB 1.568 13 residues pruned to eliminate duplicates Z: 11 20.095 1.988 0.707 0.875 1.000 0.900 CB 1.362 11 residues pruned to eliminate duplicates Z: 48 25.970 1.968 0.546 0.614 0.851 0.617 CB 1.314 64 residues pruned to eliminate duplicates Z: 9 2.577 1.341 0.028 0.467 0.875 0.375 CB 0.781 9 residues pruned to eliminate duplicates Z: 19 14.992 1.886 0.544 0.639 0.833 0.556 CB 1.279 19 residues pruned to eliminate duplicates Z: 16 14.390 1.898 0.765 0.639 0.667 0.400 CB 1.460 16 residues pruned to eliminate duplicates Z: 14 18.299 1.994 0.372 0.869 1.000 0.923 CB 1.355 14 residues pruned to eliminate duplicates Z: 11 3.608 1.744 0.247 0.397 0.900 0.400 CB 0.650 Z: 14 9.508 1.606 0.498 0.768 0.846 0.462 CB 1.021 12 residues pruned to eliminate duplicates Z: 10 4.770 1.719 0.041 0.578 0.667 0.556 N 1.236 8 residues pruned to eliminate duplicates Z: 16 20.673 1.884 0.834 0.810 0.867 0.600 CB 1.361 16 residues pruned to eliminate duplicates Z: 28 20.682 1.887 0.422 0.604 0.963 0.667 CB 1.396 27 residues pruned to eliminate duplicates Z: 28 30.122 1.958 0.685 0.913 1.000 0.556 CB 1.243 28 residues pruned to eliminate duplicates Z: 18 8.223 1.863 0.423 0.373 0.765 0.294 CB 1.127 18 residues pruned to eliminate duplicates Z: 16 15.439 1.968 0.569 0.728 0.933 0.400 CB 1.126 16 residues pruned to eliminate duplicates Z: 10 12.633 1.617 0.792 0.760 1.000 0.778 CB 1.154 18 residues pruned to eliminate duplicates Z: 10 6.354 1.644 0.514 0.518 0.889 0.556 CB 0.940 11 residues pruned to eliminate duplicates Z: 29 18.537 2.101 0.350 0.536 0.893 0.679 CB 1.335 29 residues pruned to eliminate duplicates Z: 19 10.669 1.822 0.361 0.532 0.778 0.500 CB 1.263 19 residues pruned to eliminate duplicates Z: 14 7.476 1.617 0.219 0.683 0.846 0.462 CB 1.050 15 residues pruned to eliminate duplicates Z: 13 14.233 1.911 0.631 0.469 0.917 0.583 CB 1.484 12 residues pruned to eliminate duplicates Z: 8 6.697 1.726 0.142 0.473 1.000 0.429 CB 1.321 8 residues pruned to eliminate duplicates Z: 11 9.859 1.805 0.320 0.534 1.000 0.800 CB 1.265 Z: 7 2.388 1.845 0.383 0.619 1.000 0.667 CB 0.341 7 residues pruned to eliminate duplicates Z: 15 24.087 2.008 0.644 0.864 0.929 0.714 CA 1.540 15 residues pruned to eliminate duplicates Z: 31 39.502 2.057 0.789 0.904 1.000 0.700 CB 1.396 31 residues pruned to eliminate duplicates Z: 12 21.737 2.166 0.652 0.820 0.818 0.545 CB 1.696 Z: 17 13.598 1.650 0.250 0.833 0.938 0.625 CB 1.319 17 residues pruned to eliminate duplicates Z: 7 12.455 2.095 0.720 0.879 1.000 0.667 CB 1.023 7 residues pruned to eliminate duplicates Z: 68 42.074 2.126 0.679 0.586 0.881 0.687 CB 1.507 115 residues pruned to eliminate duplicates Z: 14 14.426 2.043 0.381 0.569 0.846 0.385 CB 1.568 14 residues pruned to eliminate duplicates Z: 6 2.540 1.308 0.183 0.533 1.000 0.600 CB 0.711 Z: 11 9.827 1.688 0.787 0.724 0.700 0.400 CB 1.203 Z: 8 4.141 1.517 0.259 0.342 0.857 0.857 N 1.135 Z: 16 14.131 1.751 0.350 0.918 1.000 0.933 CB 1.088 16 residues pruned to eliminate duplicates 8 1.991 1.541 0.250 0.163 0.714 0.143 CB 0.825 ? Z: 36 26.872 2.069 0.705 0.605 0.857 0.629 CB 1.360 48 residues pruned to eliminate duplicates Z: 7 6.952 1.637 0.396 0.593 0.833 0.667 O 1.364 7 residues pruned to eliminate duplicates Z: 18 18.698 1.771 0.489 0.935 1.000 0.941 CB 1.198 18 residues pruned to eliminate duplicates Z: 6 2.342 1.547 -0.019 0.757 1.000 0.800 CB 0.549 Z: 9 13.072 1.729 0.716 0.795 1.000 0.500 CB 1.203 9 residues pruned to eliminate duplicates Z: 13 12.014 1.781 0.159 0.935 1.000 1.000 CB 1.171 13 residues pruned to eliminate duplicates Z: 11 16.973 2.019 0.625 0.628 0.900 0.600 N 1.611 Z: 9 3.059 1.806 0.343 0.182 0.750 0.375 CB 0.872 9 residues pruned to eliminate duplicates Z: 28 30.980 1.992 0.527 0.906 0.926 0.852 CB 1.506 28 residues pruned to eliminate duplicates Z: 12 9.648 1.880 0.459 0.700 0.909 0.273 CB 0.972 12 residues pruned to eliminate duplicates Z: 23 7.081 1.604 0.356 0.302 0.818 0.364 CB 1.057 23 residues pruned to eliminate duplicates Z: 7 5.580 1.793 0.322 0.596 0.833 0.833 CB 1.052 Z: 13 17.029 1.827 0.492 0.875 1.000 0.917 CB 1.311 13 residues pruned to eliminate duplicates Z: 28 20.710 2.027 0.760 0.421 0.815 0.444 CB 1.488 Z: 16 21.301 1.947 0.610 0.828 0.933 0.800 CA 1.415 16 residues pruned to eliminate duplicates Z: 16 6.847 1.575 0.495 0.464 0.933 0.600 CB 0.835 8 residues pruned to eliminate duplicates Z: 12 15.343 1.830 0.538 0.873 1.000 0.364 CB 1.197 12 residues pruned to eliminate duplicates Z: 9 5.154 1.379 0.504 0.469 1.000 0.500 CB 0.907 Z: 31 25.396 1.882 0.718 0.792 0.800 0.433 CB 1.386 31 residues pruned to eliminate duplicates Z: 8 14.482 1.680 0.945 0.795 1.000 0.714 CB 1.294 9 residues pruned to eliminate duplicates Z: 16 10.310 1.729 0.477 0.554 0.867 0.467 CB 1.141 16 residues pruned to eliminate duplicates Z: 14 17.258 1.915 0.388 0.861 0.923 0.692 CB 1.433 14 residues pruned to eliminate duplicates Z: 9 3.863 1.442 0.318 0.329 0.875 0.500 CB 0.990 9 residues pruned to eliminate duplicates Z: 12 10.141 1.830 0.761 0.454 0.818 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 11 16.480 1.934 0.505 0.863 1.000 1.000 CB 1.314 11 residues pruned to eliminate duplicates Z: 29 31.383 1.969 0.690 0.921 0.964 0.786 CB 1.300 29 residues pruned to eliminate duplicates Z: 41 20.999 1.976 0.193 0.635 0.875 0.700 CB 1.419 41 residues pruned to eliminate duplicates Z: 6 8.053 1.920 0.713 0.636 0.800 0.600 CB 1.205 6 residues pruned to eliminate duplicates Z: 18 19.861 1.978 0.282 0.898 0.941 0.882 CA 1.443 18 residues pruned to eliminate duplicates Z: 6 3.098 1.697 0.780 0.280 0.600 0.400 CA 0.980 6 residues pruned to eliminate duplicates Z: 22 22.548 1.792 0.657 0.931 1.000 0.714 CB 1.158 22 residues pruned to eliminate duplicates Z: 9 19.482 2.152 0.670 0.768 0.875 0.625 CA 1.727 9 residues pruned to eliminate duplicates Z: 9 7.699 1.767 -0.043 0.850 1.000 0.875 O 1.192 9 residues pruned to eliminate duplicates Z: 14 25.733 1.879 0.736 0.878 1.000 0.538 CB 1.588 13 residues pruned to eliminate duplicates Z: 19 20.566 2.044 0.853 0.682 0.833 0.222 CB 1.299 19 residues pruned to eliminate duplicates Z: 30 38.219 2.090 0.931 0.914 0.897 0.448 CB 1.387 30 residues pruned to eliminate duplicates Z: 30 35.145 2.271 0.574 0.797 0.897 0.793 CA 1.570 30 residues pruned to eliminate duplicates Z: 61 33.723 2.007 0.370 0.650 0.983 0.683 CB 1.400 61 residues pruned to eliminate duplicates Z: 14 12.380 1.771 -0.022 0.907 1.000 0.846 O 1.408 14 residues pruned to eliminate duplicates Z: 8 14.761 1.876 0.469 0.891 1.000 1.000 CB 1.455 41 residues pruned to eliminate duplicates Z: 10 6.137 1.787 0.604 0.502 0.778 0.556 CB 0.916 10 residues pruned to eliminate duplicates Z: 29 23.726 2.120 0.360 0.662 0.964 0.714 CB 1.387 29 residues pruned to eliminate duplicates Z: 19 7.799 1.635 0.215 0.409 0.833 0.444 N 1.221 7 residues pruned to eliminate duplicates Z: 16 20.316 1.791 0.570 0.836 1.000 0.867 CB 1.397 16 residues pruned to eliminate duplicates Z: 26 15.232 1.933 0.403 0.457 0.920 0.600 CB 1.275 28 residues pruned to eliminate duplicates Z: 52 44.566 2.140 0.676 0.737 0.941 0.667 CB 1.495 52 residues pruned to eliminate duplicates Z: 40 26.914 2.141 0.583 0.450 0.872 0.538 CB 1.535 42 residues pruned to eliminate duplicates Z: 28 28.834 1.980 0.784 0.911 0.889 0.481 CB 1.252 28 residues pruned to eliminate duplicates Z: 11 10.444 1.790 0.482 0.749 0.800 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 28 28.704 2.034 0.747 0.689 0.889 0.667 CB 1.471 30 residues pruned to eliminate duplicates Z: 24 15.565 1.994 0.253 0.504 0.913 0.522 CB 1.417 24 residues pruned to eliminate duplicates Z: 9 6.391 1.588 0.340 0.666 0.875 0.375 CB 1.040 9 residues pruned to eliminate duplicates Z: 9 12.273 1.734 0.413 0.779 1.000 0.750 CB 1.384 Z: 31 58.814 2.253 1.097 0.900 1.000 0.600 CB 1.624 31 residues pruned to eliminate duplicates Z: 6 4.425 1.666 0.351 0.347 1.000 0.600 CA 1.038 Z: 18 10.395 1.672 0.553 0.733 0.706 0.353 CB 1.116 18 residues pruned to eliminate duplicates Z: 16 17.466 1.812 0.379 0.850 1.000 0.800 CA 1.336 16 residues pruned to eliminate duplicates Z: 30 50.254 2.241 0.973 0.925 0.966 0.483 CB 1.535 30 residues pruned to eliminate duplicates Z: 16 17.830 1.799 0.392 0.861 1.000 0.800 CB 1.351 16 residues pruned to eliminate duplicates Z: 26 34.138 2.106 0.963 0.898 0.920 0.480 CB 1.284 26 residues pruned to eliminate duplicates Z: 18 12.684 1.972 0.462 0.448 0.824 0.706 CB 1.366 18 residues pruned to eliminate duplicates Z: 12 8.357 1.611 0.340 0.778 0.818 0.545 CB 1.116 12 residues pruned to eliminate duplicates Z: 14 11.235 1.714 0.381 0.829 0.923 0.615 CB 1.073 14 residues pruned to eliminate duplicates Z: 7 3.531 1.511 0.292 0.787 1.000 0.667 CB 0.574 7 residues pruned to eliminate duplicates Z: 6 3.756 1.365 0.245 0.816 1.000 0.800 CB 0.751 Z: 24 31.015 2.007 0.726 0.902 0.913 0.783 CB 1.458 24 residues pruned to eliminate duplicates Z: 14 14.086 1.878 0.384 0.826 0.923 0.923 CB 1.228 14 residues pruned to eliminate duplicates Z: 28 23.161 1.887 0.800 0.648 1.000 0.481 CB 1.143 28 residues pruned to eliminate duplicates Z: 11 13.056 1.999 0.210 0.876 0.900 0.800 CB 1.378 11 residues pruned to eliminate duplicates Z: 16 15.417 1.798 0.692 0.586 1.000 0.600 CB 1.205 14 residues pruned to eliminate duplicates Z: 15 29.483 2.074 1.274 0.849 0.929 0.786 CB 1.334 15 residues pruned to eliminate duplicates Z: 14 18.391 1.999 0.269 0.879 1.000 0.923 CA 1.458 14 residues pruned to eliminate duplicates Z: 9 6.019 2.127 0.135 0.258 0.875 0.375 CA 1.329 9 residues pruned to eliminate duplicates Z: 13 33.279 2.050 0.980 0.943 1.000 0.917 CA 1.640 13 residues pruned to eliminate duplicates 7 1.773 1.284 0.457 0.274 0.667 0.667 CB 0.749 ? Z: 11 3.271 1.519 0.281 0.265 0.600 0.500 CB 1.158 Z: 31 36.737 2.074 0.968 0.923 0.867 0.500 CB 1.333 31 residues pruned to eliminate duplicates Z: 37 18.484 1.895 0.501 0.540 0.806 0.556 CB 1.293 36 residues pruned to eliminate duplicates Z: 6 2.411 1.620 -0.267 0.507 0.800 0.600 CB 1.127 4 residues pruned to eliminate duplicates Z: 8 9.739 1.921 0.802 0.864 1.000 0.429 CB 0.780 8 residues pruned to eliminate duplicates Z: 12 14.084 1.893 0.306 0.843 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 5.402 1.844 0.394 0.395 0.700 0.400 CB 1.060 Z: 17 13.538 1.704 0.378 0.893 0.938 0.625 CB 1.104 17 residues pruned to eliminate duplicates Z: 40 38.122 2.023 0.837 0.828 0.897 0.487 CB 1.378 40 residues pruned to eliminate duplicates Z: 7 13.325 1.843 0.972 0.793 1.000 0.833 CA 1.157 Z: 20 10.683 1.787 0.275 0.444 0.789 0.684 CB 1.443 20 residues pruned to eliminate duplicates Z: 10 3.782 1.561 0.181 0.320 0.667 0.444 CB 1.250 Z: 14 11.673 1.639 0.384 0.809 1.000 0.538 CB 1.090 14 residues pruned to eliminate duplicates Z: 15 26.695 2.113 0.678 0.868 0.929 0.643 CB 1.584 15 residues pruned to eliminate duplicates Z: 7 6.139 1.560 0.984 0.797 1.000 1.000 CB 0.624 12 residues pruned to eliminate duplicates Z: 10 2.552 1.418 0.051 0.290 0.778 0.333 CB 0.929 Z: 8 7.703 1.873 0.523 0.449 1.000 0.857 CB 1.075 8 residues pruned to eliminate duplicates Z: 21 15.859 1.950 0.590 0.564 0.900 0.500 CB 1.195 21 residues pruned to eliminate duplicates Z: 7 10.743 1.712 1.070 0.770 1.000 0.833 CB 0.975 6 residues pruned to eliminate duplicates Z: 7 2.303 1.419 0.032 0.384 0.667 0.333 CA 1.090 Z: 13 9.055 1.606 0.076 0.898 1.000 0.917 CB 1.082 12 residues pruned to eliminate duplicates Z: 9 3.948 1.780 -0.162 0.329 1.000 0.625 CB 1.129 9 residues pruned to eliminate duplicates Z: 9 4.154 1.754 0.146 0.444 0.750 0.625 CB 1.032 Z: 11 15.045 2.055 0.164 0.900 1.000 0.900 CB 1.421 11 residues pruned to eliminate duplicates Z: 25 16.259 1.891 0.222 0.589 0.958 0.625 CB 1.376 25 residues pruned to eliminate duplicates Z: 9 7.942 1.648 0.243 0.610 1.000 0.750 CA 1.235 9 residues pruned to eliminate duplicates Z: 17 15.413 1.692 0.706 0.915 0.938 0.562 CB 1.007 16 residues pruned to eliminate duplicates Z: 7 3.221 1.748 0.504 0.378 0.667 0.667 CB 0.854 7 residues pruned to eliminate duplicates Z: 13 10.539 1.797 0.378 0.531 0.917 0.667 CB 1.301 13 residues pruned to eliminate duplicates Z: 35 28.832 1.876 0.787 0.744 0.941 0.618 CB 1.259 35 residues pruned to eliminate duplicates Z: 13 7.631 1.645 0.137 0.778 0.917 0.667 CB 1.006 13 residues pruned to eliminate duplicates 8 1.673 1.333 0.792 0.281 0.714 0.286 N 0.474 ? Z: 8 9.860 1.585 0.724 0.769 1.000 0.714 CB 1.075 10 residues pruned to eliminate duplicates Z: 12 10.939 1.900 0.326 0.849 1.000 0.818 CB 0.971 12 residues pruned to eliminate duplicates Z: 12 15.453 1.977 0.277 0.908 0.909 0.636 CB 1.441 12 residues pruned to eliminate duplicates Z: 13 12.184 1.830 0.275 0.815 1.000 0.583 CB 1.146 13 residues pruned to eliminate duplicates Z: 23 20.537 1.996 0.447 0.624 0.909 0.727 CB 1.484 24 residues pruned to eliminate duplicates Z: 11 5.631 1.697 0.278 0.500 0.800 0.500 CB 1.026 10 residues pruned to eliminate duplicates Z: 29 32.239 1.992 0.401 0.920 1.000 0.857 CB 1.537 29 residues pruned to eliminate duplicates Z: 8 2.428 1.653 0.042 0.285 0.714 0.286 N 0.950 Z: 19 22.109 1.840 0.821 0.899 0.944 0.444 CB 1.177 19 residues pruned to eliminate duplicates Z: 13 13.582 2.257 0.508 0.323 0.917 0.500 CB 1.527 19 residues pruned to eliminate duplicates Z: 32 33.523 2.147 0.361 0.923 1.000 0.839 CA 1.448 32 residues pruned to eliminate duplicates 7 1.635 1.630 0.310 0.135 0.667 0.333 CB 0.739 ? Z: 8 5.816 1.651 0.366 0.533 1.000 0.857 CB 0.944 Z: 29 30.939 2.048 0.760 0.740 0.929 0.464 CB 1.408 29 residues pruned to eliminate duplicates Z: 16 22.140 1.923 0.353 0.895 1.000 0.867 CA 1.574 17 residues pruned to eliminate duplicates Z: 17 14.667 1.738 0.117 0.913 1.000 0.875 CB 1.337 17 residues pruned to eliminate duplicates 7 1.802 1.138 0.954 0.422 0.667 0.500 C 0.538 ? Z: 29 17.933 1.929 0.498 0.536 0.857 0.571 CB 1.321 45 residues pruned to eliminate duplicates Z: 31 49.642 2.142 0.960 0.889 1.000 0.833 CB 1.554 31 residues pruned to eliminate duplicates Z: 6 4.677 1.649 0.371 0.430 0.800 0.600 CA 1.243 6 residues pruned to eliminate duplicates Z: 15 5.337 1.660 -0.061 0.455 0.857 0.643 CB 1.119 15 residues pruned to eliminate duplicates Z: 6 2.304 1.565 -0.015 0.432 0.600 0.400 CA 1.195 Z: 12 21.418 1.871 0.492 0.910 1.000 1.000 CA 1.641 12 residues pruned to eliminate duplicates Z: 38 26.680 2.010 0.244 0.733 0.946 0.838 CB 1.503 38 residues pruned to eliminate duplicates Z: 7 4.382 1.468 0.077 0.553 0.833 0.667 CB 1.289 Z: 40 24.312 1.770 0.684 0.702 0.949 0.564 CB 1.146 40 residues pruned to eliminate duplicates Z: 18 29.906 1.904 1.022 0.880 0.941 0.529 CB 1.450 18 residues pruned to eliminate duplicates Z: 13 11.787 1.789 0.429 0.861 0.833 0.500 CB 1.173 13 residues pruned to eliminate duplicates Z: 6 3.540 1.627 0.212 0.589 0.600 0.400 CB 1.229 5 residues pruned to eliminate duplicates Z: 13 10.521 1.730 0.883 0.487 0.833 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 14 9.061 1.714 0.415 0.491 0.846 0.615 CB 1.236 14 residues pruned to eliminate duplicates Z: 7 4.565 1.535 0.450 0.447 0.833 0.500 C 1.061 Z: 29 36.114 2.016 0.846 0.914 1.000 0.607 CB 1.297 29 residues pruned to eliminate duplicates Z: 27 20.841 2.041 0.922 0.588 0.885 0.654 CB 1.082 18 residues pruned to eliminate duplicates Z: 8 2.854 1.270 0.396 0.379 0.714 0.571 CB 0.968 Z: 30 37.152 1.938 0.915 0.924 0.966 0.448 CB 1.352 29 residues pruned to eliminate duplicates Z: 13 19.696 1.952 0.656 0.854 0.917 0.417 CB 1.417 13 residues pruned to eliminate duplicates Z: 16 9.104 1.758 0.766 0.470 0.733 0.533 CB 1.064 16 residues pruned to eliminate duplicates Z: 11 8.134 1.910 0.294 0.553 1.000 0.600 CB 0.989 11 residues pruned to eliminate duplicates 7 1.582 1.677 -0.014 0.335 0.500 0.333 CB 0.936 ? Z: 23 27.051 1.975 0.599 0.779 0.955 0.773 CB 1.496 23 residues pruned to eliminate duplicates Z: 39 27.338 2.000 0.273 0.693 0.974 0.763 CB 1.499 39 residues pruned to eliminate duplicates Z: 7 2.757 1.301 0.347 0.486 0.667 0.667 CB 0.977 Z: 15 8.780 1.651 0.244 0.776 0.929 0.714 CB 0.964 15 residues pruned to eliminate duplicates Z: 9 3.328 1.709 0.482 0.399 0.750 0.500 CB 0.689 Z: 7 2.274 1.519 0.001 0.310 0.833 0.500 CB 0.905 Z: 22 23.816 1.842 0.641 0.928 0.952 0.619 CB 1.265 22 residues pruned to eliminate duplicates Z: 9 11.149 1.722 0.271 0.826 1.000 0.875 O 1.358 46 residues pruned to eliminate duplicates Z: 7 9.892 1.999 0.247 0.698 1.000 0.833 CB 1.352 7 residues pruned to eliminate duplicates Z: 23 23.224 2.002 0.499 0.848 0.909 0.727 CB 1.347 23 residues pruned to eliminate duplicates Z: 17 14.054 1.996 0.611 0.393 1.000 0.750 CB 1.223 17 residues pruned to eliminate duplicates Z: 19 15.628 1.703 0.454 0.928 1.000 0.944 CB 1.042 19 residues pruned to eliminate duplicates Z: 9 3.270 1.466 0.216 0.524 1.000 0.625 CB 0.633 9 residues pruned to eliminate duplicates Z: 8 2.465 1.368 0.150 0.326 0.714 0.571 CA 1.004 8 residues pruned to eliminate duplicates Z: 12 3.903 1.662 0.214 0.331 0.636 0.364 CB 1.103 12 residues pruned to eliminate duplicates Z: 7 12.270 1.882 0.769 0.765 0.833 0.833 N 1.427 7 residues pruned to eliminate duplicates Z: 11 2.774 1.626 -0.111 0.286 0.900 0.600 CB 0.858 Z: 16 18.291 1.952 0.161 0.843 1.000 0.867 CB 1.551 16 residues pruned to eliminate duplicates Z: 59 51.682 2.098 0.721 0.798 0.948 0.741 CB 1.527 59 residues pruned to eliminate duplicates Z: 8 2.040 1.353 0.156 0.246 0.714 0.429 N 0.925 8 residues pruned to eliminate duplicates Z: 12 18.037 2.035 0.539 0.915 0.909 0.636 CB 1.350 Z: 10 13.277 2.131 0.801 0.402 0.778 0.556 CB 1.644 Z: 14 16.762 2.082 0.627 0.825 0.769 0.231 CB 1.347 14 residues pruned to eliminate duplicates Z: 9 7.234 2.173 -0.103 0.585 0.750 0.625 CB 1.612 9 residues pruned to eliminate duplicates Z: 13 14.641 2.012 0.611 0.626 0.833 0.583 CB 1.390 13 residues pruned to eliminate duplicates Z: 27 28.792 1.955 0.360 0.911 1.000 0.923 CB 1.505 27 residues pruned to eliminate duplicates Z: 13 19.294 1.961 0.727 0.836 0.917 0.500 CB 1.343 13 residues pruned to eliminate duplicates Z: 6 11.071 1.825 0.469 0.846 1.000 0.800 CB 1.372 6 residues pruned to eliminate duplicates Z: 6 8.142 2.323 0.067 0.454 1.000 0.600 CB 1.539 6 residues pruned to eliminate duplicates Z: 6 4.168 1.422 0.668 0.545 0.800 0.400 CB 0.940 Z: 17 11.947 1.672 0.100 0.928 0.938 0.938 CB 1.214 17 residues pruned to eliminate duplicates Z: 49 19.111 1.918 0.664 0.361 0.792 0.479 CB 1.268 56 residues pruned to eliminate duplicates Z: 7 3.732 1.565 0.262 0.545 0.833 0.667 CB 0.886 Z: 6 2.401 1.498 0.752 0.300 0.600 0.400 C 0.853 Z: 7 14.044 1.795 0.734 0.806 1.000 0.833 CB 1.411 7 residues pruned to eliminate duplicates Z: 8 4.698 1.478 0.634 0.686 0.857 0.286 CB 0.723 Z: 6 2.338 1.378 0.112 0.534 0.800 0.400 CB 0.825 Z: 9 2.229 1.265 0.305 0.186 0.750 0.375 CB 0.928 Z: 15 22.699 1.920 0.637 0.902 1.000 0.929 CB 1.376 15 residues pruned to eliminate duplicates Z: 11 11.346 1.839 0.303 0.885 1.000 0.800 CB 1.081 11 residues pruned to eliminate duplicates Z: 11 7.316 1.735 0.226 0.732 0.900 0.600 CB 0.981 11 residues pruned to eliminate duplicates Z: 7 2.715 1.217 0.370 0.248 1.000 0.333 N 0.890 Z: 7 2.407 1.605 0.150 0.348 0.500 0.333 CB 1.255 Z: 39 47.901 2.292 0.764 0.765 0.947 0.816 CB 1.604 39 residues pruned to eliminate duplicates 6 1.393 1.383 0.791 0.438 0.600 0.400 CB 0.447 ? 6 1.280 1.243 0.204 0.328 0.600 0.400 C 0.770 ? Z: 17 15.904 1.659 0.606 0.861 0.938 0.562 CB 1.170 25 residues pruned to eliminate duplicates Z: 14 6.355 1.409 0.303 0.554 0.923 0.538 CB 0.987 14 residues pruned to eliminate duplicates Z: 6 5.602 1.729 0.117 0.769 1.000 0.600 CA 1.022 6 residues pruned to eliminate duplicates Z: 26 21.149 2.045 0.397 0.602 0.960 0.680 CB 1.400 26 residues pruned to eliminate duplicates Z: 11 15.071 1.934 0.377 0.909 1.000 0.500 CB 1.271 12 residues pruned to eliminate duplicates Z: 11 16.792 1.879 0.969 0.710 0.800 0.200 CB 1.483 Z: 15 16.288 1.935 0.207 0.871 1.000 0.929 CB 1.358 14 residues pruned to eliminate duplicates Z: 13 15.262 1.896 0.308 0.783 0.917 0.500 CB 1.511 13 residues pruned to eliminate duplicates Z: 15 9.456 1.865 0.365 0.416 0.786 0.643 CB 1.381 Z: 23 19.493 1.757 0.619 0.937 0.955 0.682 CB 1.065 23 residues pruned to eliminate duplicates Z: 10 10.597 1.765 0.440 0.771 0.889 0.333 CB 1.230 10 residues pruned to eliminate duplicates Z: 27 26.264 2.015 0.585 0.708 0.962 0.808 CB 1.389 27 residues pruned to eliminate duplicates Z: 6 3.970 1.596 0.375 0.469 0.800 0.600 CA 1.044 Z: 19 11.051 1.578 0.616 0.751 0.833 0.444 CB 0.980 19 residues pruned to eliminate duplicates Z: 23 22.620 1.921 0.693 0.629 1.000 0.318 CB 1.313 23 residues pruned to eliminate duplicates Z: 40 21.748 2.031 0.580 0.482 0.897 0.410 CB 1.231 21 residues pruned to eliminate duplicates Z: 60 34.146 2.062 0.466 0.654 0.898 0.593 CB 1.419 59 residues pruned to eliminate duplicates Z: 7 13.803 1.795 1.087 0.878 1.000 0.833 CB 1.092 7 residues pruned to eliminate duplicates Z: 11 15.783 2.011 0.468 0.850 1.000 0.500 CB 1.252 11 residues pruned to eliminate duplicates Z: 23 21.892 1.746 0.626 0.879 0.955 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 10 16.733 1.808 0.731 0.928 1.000 0.889 CB 1.248 10 residues pruned to eliminate duplicates Z: 6 4.982 1.679 -0.099 0.853 1.000 1.000 CB 1.088 6 residues pruned to eliminate duplicates Z: 6 4.236 1.822 -0.210 0.543 1.000 0.600 N 1.262 Z: 9 2.202 1.427 0.301 0.326 0.625 0.375 CB 0.812 Z: 16 12.902 1.770 0.252 0.909 1.000 0.800 CB 1.067 16 residues pruned to eliminate duplicates Z: 24 22.635 2.019 0.591 0.675 0.913 0.609 CB 1.369 25 residues pruned to eliminate duplicates Z: 20 19.219 2.197 0.336 0.618 0.895 0.579 CB 1.501 20 residues pruned to eliminate duplicates Z: 33 21.551 2.105 0.518 0.563 0.844 0.500 CB 1.330 44 residues pruned to eliminate duplicates Z: 9 5.205 1.680 0.519 0.456 1.000 0.875 CB 0.754 Z: 14 9.070 1.680 0.598 0.399 0.846 0.692 CB 1.232 13 residues pruned to eliminate duplicates Z: 7 3.059 1.544 0.063 0.305 0.833 0.333 CA 1.135 Z: 14 10.881 1.847 0.402 0.587 0.923 0.769 CB 1.161 14 residues pruned to eliminate duplicates Z: 10 6.145 1.653 0.301 0.437 0.778 0.556 CB 1.307 11 residues pruned to eliminate duplicates Z: 7 6.078 1.937 0.560 0.696 0.833 0.833 CB 0.824 7 residues pruned to eliminate duplicates Z: 16 16.481 1.939 0.224 0.773 0.933 0.800 CB 1.510 16 residues pruned to eliminate duplicates Z: 14 24.783 2.060 0.847 0.613 1.000 0.615 CB 1.622 14 residues pruned to eliminate duplicates Z: 19 13.298 1.672 0.671 0.484 0.889 0.333 CB 1.283 20 residues pruned to eliminate duplicates Z: 11 7.327 1.662 0.271 0.512 1.000 0.800 CB 1.084 Z: 7 4.295 1.722 0.534 0.440 0.833 0.500 CB 0.848 4 residues pruned to eliminate duplicates Z: 6 2.158 1.441 0.538 0.295 0.600 0.400 O 0.913 Z: 12 14.055 1.854 0.729 0.734 0.727 0.182 CB 1.473 12 residues pruned to eliminate duplicates Z: 6 4.128 1.414 0.382 0.740 0.800 0.800 CB 0.952 Z: 11 15.189 1.995 0.483 0.857 1.000 0.900 CB 1.197 11 residues pruned to eliminate duplicates Z: 6 2.186 1.212 0.305 0.335 1.000 0.400 CB 0.740 Z: 13 9.286 1.650 0.198 0.831 0.917 0.667 CB 1.112 13 residues pruned to eliminate duplicates Z: 17 19.723 1.889 0.518 0.825 1.000 0.812 CB 1.297 17 residues pruned to eliminate duplicates 8 1.279 1.274 0.234 0.267 0.571 0.286 CB 0.702 ? Z: 7 3.160 1.526 0.502 0.301 0.667 0.500 CB 1.055 Z: 12 4.229 1.634 0.281 0.304 0.818 0.455 CB 0.927 Z: 10 8.786 1.756 0.179 0.829 1.000 0.556 CB 1.064 10 residues pruned to eliminate duplicates Z: 6 9.378 1.492 0.569 0.801 1.000 1.000 CA 1.378 6 residues pruned to eliminate duplicates Z: 17 11.096 1.575 0.593 0.661 0.812 0.625 CB 1.172 17 residues pruned to eliminate duplicates Z: 6 8.753 1.467 0.858 0.776 1.000 0.800 CA 1.126 6 residues pruned to eliminate duplicates Z: 13 17.566 2.136 0.821 0.733 0.833 0.583 CB 1.269 13 residues pruned to eliminate duplicates Z: 7 2.040 1.427 0.048 0.411 0.833 0.333 CB 0.733 Z: 7 7.080 2.013 0.202 0.659 0.833 0.500 CA 1.237 7 residues pruned to eliminate duplicates Z: 7 6.990 1.802 0.318 0.862 1.000 0.667 CB 0.882 16 residues pruned to eliminate duplicates Z: 7 3.618 1.426 0.820 0.303 0.667 0.500 CB 1.063 Z: 9 3.601 1.494 0.692 0.351 0.625 0.500 CB 0.947 Z: 7 10.658 1.857 1.106 0.500 0.833 0.667 N 1.336 7 residues pruned to eliminate duplicates Z: 7 7.208 1.966 0.277 0.860 0.833 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 25 9.778 1.946 0.358 0.330 0.667 0.417 CB 1.364 33 residues pruned to eliminate duplicates Z: 9 5.950 1.565 0.309 0.602 1.000 0.750 CB 0.932 Z: 6 6.944 1.443 0.862 0.743 1.000 0.800 C 0.930 6 residues pruned to eliminate duplicates Z: 22 14.593 1.933 0.214 0.664 0.952 0.762 CA 1.224 22 residues pruned to eliminate duplicates Z: 8 3.811 1.401 0.715 0.555 0.571 0.286 O 0.994 8 residues pruned to eliminate duplicates Z: 23 29.899 2.050 0.661 0.864 0.955 0.864 CB 1.438 23 residues pruned to eliminate duplicates Z: 6 6.243 1.646 0.234 0.824 0.800 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 6 2.336 1.405 0.582 0.316 0.800 0.400 CB 0.720 Using tripeptides from previous cycle as seeds Z: 12 23.980 2.180 0.718 0.817 1.000 0.636 CA 1.466 11 residues pruned to eliminate duplicates Z: 13 26.561 2.032 0.791 0.872 1.000 0.667 CA 1.536 13 residues pruned to eliminate duplicates Z: 14 15.922 2.139 0.649 0.654 0.846 0.615 CB 1.282 14 residues pruned to eliminate duplicates Z: 14 16.394 2.060 0.395 0.699 0.923 0.385 CB 1.428 14 residues pruned to eliminate duplicates Z: 12 22.743 2.202 0.622 0.737 1.000 0.364 CB 1.552 12 residues pruned to eliminate duplicates Z: 16 14.283 1.924 0.428 0.547 0.867 0.400 CB 1.479 16 residues pruned to eliminate duplicates Z: 31 26.249 2.064 0.473 0.674 0.933 0.700 CB 1.438 31 residues pruned to eliminate duplicates Z: 11 26.018 2.272 0.757 0.874 0.900 0.600 CB 1.667 12 residues pruned to eliminate duplicates Z: 11 22.836 2.249 0.636 0.839 0.900 0.600 CA 1.628 11 residues pruned to eliminate duplicates Z: 13 20.821 2.093 0.562 0.774 0.917 0.667 CB 1.575 13 residues pruned to eliminate duplicates Z: 16 13.191 1.871 0.280 0.527 1.000 0.600 CB 1.385 16 residues pruned to eliminate duplicates Z: 16 11.741 1.824 0.410 0.430 0.933 0.400 CB 1.358 16 residues pruned to eliminate duplicates Z: 18 13.111 1.707 0.465 0.471 1.000 0.706 CB 1.310 18 residues pruned to eliminate duplicates Z: 15 8.864 1.731 0.389 0.431 0.929 0.429 CB 1.140 15 residues pruned to eliminate duplicates Z: 15 7.267 1.749 0.123 0.403 0.857 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 17 11.685 1.850 0.135 0.573 1.000 0.562 CB 1.296 17 residues pruned to eliminate duplicates Z: 18 10.151 1.792 0.366 0.418 0.882 0.412 CB 1.241 18 residues pruned to eliminate duplicates Z: 14 9.684 1.834 0.345 0.470 0.923 0.538 CB 1.217 14 residues pruned to eliminate duplicates Z: 12 11.137 1.896 0.586 0.507 0.909 0.636 CB 1.221 12 residues pruned to eliminate duplicates Z: 18 9.354 1.727 0.414 0.433 0.824 0.529 CB 1.209 18 residues pruned to eliminate duplicates Z: 15 10.565 1.782 0.371 0.529 0.857 0.571 CB 1.310 15 residues pruned to eliminate duplicates Z: 9 3.339 1.536 0.166 0.322 0.750 0.500 CB 1.069 Z: 6 2.408 1.384 0.505 0.407 0.800 0.600 N 0.713 6 residues pruned to eliminate duplicates Z: 9 7.603 1.858 0.565 0.324 1.000 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 7 8.093 1.979 0.414 0.395 1.000 0.667 CB 1.319 7 residues pruned to eliminate duplicates Z: 12 5.318 1.866 0.202 0.420 0.818 0.636 CB 0.951 12 residues pruned to eliminate duplicates Z: 7 3.240 1.773 0.330 0.391 1.000 0.667 CB 0.630 7 residues pruned to eliminate duplicates Z: 10 3.783 1.691 0.637 0.261 0.778 0.444 CB 0.770 8 residues pruned to eliminate duplicates Z: 18 12.445 1.614 0.623 0.747 0.824 0.412 CB 1.121 34 residues pruned to eliminate duplicates Z: 34 27.154 1.863 0.863 0.756 0.909 0.394 CB 1.193 34 residues pruned to eliminate duplicates Z: 32 18.083 1.852 0.790 0.594 0.806 0.290 CB 1.110 32 residues pruned to eliminate duplicates Z: 17 12.236 1.850 0.584 0.535 0.812 0.500 CB 1.241 Z: 6 2.701 1.288 0.767 0.290 0.800 0.800 CA 0.839 6 residues pruned to eliminate duplicates Z: 13 13.989 1.949 0.659 0.543 0.917 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 35 27.005 1.862 0.633 0.645 0.971 0.588 CB 1.370 51 residues pruned to eliminate duplicates Z: 12 17.783 1.951 0.498 0.890 1.000 0.909 CB 1.320 12 residues pruned to eliminate duplicates Z: 12 14.617 1.984 0.753 0.767 0.909 0.545 CB 1.100 13 residues pruned to eliminate duplicates Z: 14 18.811 1.797 0.564 0.865 1.000 0.846 CB 1.359 13 residues pruned to eliminate duplicates Z: 14 16.845 1.854 0.543 0.852 1.000 0.692 CB 1.208 14 residues pruned to eliminate duplicates Z: 15 10.723 1.893 0.669 0.593 0.714 0.286 CB 1.162 15 residues pruned to eliminate duplicates Z: 11 20.006 2.153 0.952 0.832 0.900 0.500 CB 1.255 11 residues pruned to eliminate duplicates Z: 11 19.695 2.142 0.880 0.835 0.900 0.400 CB 1.286 11 residues pruned to eliminate duplicates Z: 12 16.845 2.035 0.783 0.785 0.818 0.636 CB 1.332 12 residues pruned to eliminate duplicates Z: 14 18.740 1.893 0.633 0.876 0.923 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 13 16.178 1.980 0.687 0.795 0.917 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 19 13.820 1.821 0.675 0.650 0.778 0.556 CB 1.194 19 residues pruned to eliminate duplicates Z: 8 5.555 1.887 0.893 0.461 0.857 0.286 CB 0.713 8 residues pruned to eliminate duplicates Z: 9 7.031 1.749 0.753 0.488 0.875 0.375 CB 0.937 17 residues pruned to eliminate duplicates Z: 18 23.810 2.116 0.479 0.778 0.941 0.765 CA 1.534 17 residues pruned to eliminate duplicates Z: 16 24.260 2.212 0.327 0.838 1.000 0.933 CA 1.595 16 residues pruned to eliminate duplicates Z: 11 12.670 2.116 0.408 0.467 0.800 0.400 CB 1.738 11 residues pruned to eliminate duplicates Z: 28 21.598 2.022 0.337 0.634 0.926 0.704 CB 1.464 28 residues pruned to eliminate duplicates Z: 31 20.406 1.927 0.498 0.561 0.933 0.533 CB 1.303 31 residues pruned to eliminate duplicates Z: 29 21.968 1.938 0.496 0.637 0.929 0.714 CB 1.356 29 residues pruned to eliminate duplicates Z: 32 18.232 1.942 0.421 0.562 0.839 0.548 CB 1.332 32 residues pruned to eliminate duplicates Z: 23 25.161 2.039 0.546 0.659 0.955 0.545 CB 1.539 23 residues pruned to eliminate duplicates Z: 27 22.771 2.006 0.450 0.640 0.962 0.462 CB 1.401 27 residues pruned to eliminate duplicates Z: 29 23.216 2.007 0.522 0.612 0.893 0.571 CB 1.447 29 residues pruned to eliminate duplicates Z: 24 22.090 2.053 0.459 0.634 0.913 0.696 CB 1.485 24 residues pruned to eliminate duplicates Z: 29 24.301 2.008 0.465 0.677 0.893 0.679 CB 1.486 29 residues pruned to eliminate duplicates Z: 29 24.199 2.001 0.507 0.646 0.929 0.821 CB 1.425 29 residues pruned to eliminate duplicates Z: 20 22.371 2.096 0.646 0.687 0.842 0.737 CB 1.489 20 residues pruned to eliminate duplicates Z: 28 25.216 2.041 0.458 0.659 0.963 0.704 CB 1.462 28 residues pruned to eliminate duplicates Z: 67 27.219 1.997 0.482 0.494 0.924 0.606 CB 1.233 67 residues pruned to eliminate duplicates Z: 27 23.230 1.968 0.437 0.636 0.962 0.692 CB 1.475 27 residues pruned to eliminate duplicates Z: 28 26.015 2.056 0.500 0.655 0.926 0.741 CB 1.518 28 residues pruned to eliminate duplicates Z: 29 23.553 1.996 0.536 0.622 0.929 0.607 CB 1.394 29 residues pruned to eliminate duplicates Z: 31 19.975 1.972 0.497 0.564 0.833 0.567 CB 1.393 31 residues pruned to eliminate duplicates Z: 27 23.920 2.053 0.539 0.597 0.923 0.769 CB 1.467 27 residues pruned to eliminate duplicates Z: 28 24.144 2.049 0.569 0.600 0.889 0.667 CB 1.479 28 residues pruned to eliminate duplicates Z: 11 13.016 2.100 0.252 0.446 1.000 0.700 N 1.656 15 residues pruned to eliminate duplicates Z: 6 4.833 1.578 0.859 0.201 0.800 0.800 N 1.314 6 residues pruned to eliminate duplicates Z: 9 9.070 1.894 0.689 0.459 0.875 0.750 CB 1.194 9 residues pruned to eliminate duplicates Z: 8 11.107 1.784 0.499 0.784 1.000 0.714 N 1.223 7 residues pruned to eliminate duplicates Z: 8 12.728 1.782 0.782 0.845 0.857 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 10 6.675 1.736 0.414 0.404 0.778 0.444 CB 1.290 10 residues pruned to eliminate duplicates Z: 31 25.555 1.995 0.716 0.697 0.867 0.767 CB 1.314 31 residues pruned to eliminate duplicates Z: 33 32.038 1.976 0.594 0.793 0.969 0.750 CB 1.436 33 residues pruned to eliminate duplicates Z: 33 26.557 2.001 0.565 0.666 0.906 0.688 CB 1.419 33 residues pruned to eliminate duplicates Z: 37 28.438 1.971 0.498 0.734 0.944 0.778 CB 1.377 37 residues pruned to eliminate duplicates Z: 37 33.669 1.974 0.630 0.797 0.972 0.750 CB 1.382 35 residues pruned to eliminate duplicates Z: 28 30.023 1.961 0.370 0.907 1.000 0.889 CA 1.529 28 residues pruned to eliminate duplicates Z: 35 27.258 1.965 0.514 0.757 0.941 0.706 CB 1.328 35 residues pruned to eliminate duplicates Z: 36 35.860 2.001 0.758 0.821 1.000 0.771 CB 1.304 36 residues pruned to eliminate duplicates Z: 29 30.015 2.034 0.687 0.735 0.964 0.607 CB 1.388 29 residues pruned to eliminate duplicates Z: 28 30.859 2.068 0.817 0.775 0.926 0.667 CB 1.339 28 residues pruned to eliminate duplicates Z: 37 31.741 1.918 0.689 0.757 0.944 0.667 CB 1.375 37 residues pruned to eliminate duplicates Z: 19 23.459 1.937 0.535 0.823 1.000 0.722 CB 1.405 19 residues pruned to eliminate duplicates Z: 28 24.132 2.028 0.707 0.710 0.889 0.556 CB 1.247 28 residues pruned to eliminate duplicates Z: 33 31.667 2.006 0.851 0.735 0.906 0.594 CB 1.348 33 residues pruned to eliminate duplicates Z: 34 36.601 2.015 0.682 0.780 1.000 0.697 CB 1.469 34 residues pruned to eliminate duplicates Z: 31 30.005 1.984 0.805 0.728 0.967 0.633 CB 1.289 31 residues pruned to eliminate duplicates Z: 31 26.200 2.002 0.707 0.651 0.900 0.500 CB 1.351 31 residues pruned to eliminate duplicates Z: 38 37.187 1.947 0.812 0.830 0.946 0.757 CB 1.377 38 residues pruned to eliminate duplicates Z: 35 30.933 1.965 0.756 0.769 1.000 0.735 CB 1.211 35 residues pruned to eliminate duplicates Z: 31 32.629 2.062 0.825 0.724 0.933 0.667 CB 1.385 31 residues pruned to eliminate duplicates Z: 35 32.837 2.020 0.840 0.780 0.912 0.588 CB 1.298 35 residues pruned to eliminate duplicates Z: 37 36.998 1.984 0.846 0.781 1.000 0.639 CB 1.314 37 residues pruned to eliminate duplicates Z: 38 33.663 1.941 0.834 0.765 0.919 0.757 CB 1.338 38 residues pruned to eliminate duplicates Z: 20 28.910 1.961 0.980 0.764 0.947 0.579 CB 1.427 20 residues pruned to eliminate duplicates Z: 34 37.954 2.031 0.855 0.827 1.000 0.697 CB 1.321 34 residues pruned to eliminate duplicates Z: 37 40.314 1.977 0.931 0.826 1.000 0.500 CB 1.327 37 residues pruned to eliminate duplicates Z: 28 35.183 2.039 0.853 0.924 0.963 0.593 CB 1.307 28 residues pruned to eliminate duplicates Z: 37 38.199 1.964 1.094 0.806 0.944 0.472 CB 1.255 38 residues pruned to eliminate duplicates Z: 30 25.572 1.861 0.839 0.914 0.897 0.483 CB 1.094 30 residues pruned to eliminate duplicates Z: 10 7.183 1.799 0.694 0.443 0.778 0.667 CB 1.071 11 residues pruned to eliminate duplicates Z: 6 3.740 1.702 0.157 0.556 0.800 0.600 CB 1.006 7 residues pruned to eliminate duplicates Z: 6 3.379 1.687 0.166 0.610 0.600 0.600 CB 1.154 5 residues pruned to eliminate duplicates Z: 6 6.717 1.501 0.454 0.800 0.800 0.400 CA 1.323 6 residues pruned to eliminate duplicates Z: 12 27.605 2.273 0.610 0.867 1.000 0.727 CB 1.663 12 residues pruned to eliminate duplicates Z: 49 49.553 2.194 0.771 0.750 0.958 0.729 CB 1.537 49 residues pruned to eliminate duplicates Z: 48 52.722 2.212 0.775 0.766 0.979 0.809 CB 1.581 48 residues pruned to eliminate duplicates Z: 13 15.866 2.205 0.332 0.750 0.833 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 14 19.385 2.242 0.457 0.642 0.846 0.615 CB 1.703 14 residues pruned to eliminate duplicates Z: 21 15.236 1.989 0.355 0.560 0.900 0.700 CB 1.324 21 residues pruned to eliminate duplicates Z: 31 26.391 2.106 0.662 0.614 0.933 0.700 CB 1.324 31 residues pruned to eliminate duplicates Z: 39 40.455 2.239 0.772 0.722 0.868 0.737 CB 1.558 39 residues pruned to eliminate duplicates Z: 17 19.945 2.079 0.576 0.596 0.938 0.562 CB 1.482 17 residues pruned to eliminate duplicates Z: 13 24.203 2.195 0.471 0.785 1.000 0.833 CB 1.684 13 residues pruned to eliminate duplicates Z: 19 16.911 1.764 0.605 0.690 0.889 0.556 CB 1.331 19 residues pruned to eliminate duplicates Z: 45 31.873 1.961 0.734 0.613 0.955 0.568 CB 1.330 27 residues pruned to eliminate duplicates Z: 18 21.551 1.798 0.446 0.889 1.000 0.706 CA 1.448 14 residues pruned to eliminate duplicates Z: 15 17.615 1.854 0.471 0.874 0.929 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 18 18.377 1.835 0.572 0.716 0.882 0.647 CB 1.441 18 residues pruned to eliminate duplicates Z: 38 24.149 1.927 0.672 0.583 0.919 0.622 CB 1.239 20 residues pruned to eliminate duplicates Z: 16 24.386 1.849 0.757 0.909 1.000 0.600 CB 1.375 Z: 16 20.039 1.872 0.543 0.893 0.933 0.800 CB 1.377 16 residues pruned to eliminate duplicates Z: 16 21.500 1.914 0.647 0.787 1.000 0.733 CB 1.368 32 residues pruned to eliminate duplicates Z: 19 17.466 1.789 0.549 0.662 1.000 0.667 CB 1.279 19 residues pruned to eliminate duplicates Z: 16 16.363 1.855 0.494 0.752 1.000 0.867 CB 1.218 16 residues pruned to eliminate duplicates Z: 15 19.163 1.935 0.566 0.840 1.000 0.714 CB 1.261 15 residues pruned to eliminate duplicates Z: 46 29.133 1.938 0.553 0.667 0.911 0.578 CB 1.358 44 residues pruned to eliminate duplicates Z: 14 15.939 1.771 0.637 0.742 0.923 0.462 CA 1.330 14 residues pruned to eliminate duplicates Z: 42 34.678 2.037 0.571 0.703 0.976 0.659 CB 1.443 43 residues pruned to eliminate duplicates Z: 16 23.773 2.088 0.591 0.845 0.867 0.667 CA 1.585 16 residues pruned to eliminate duplicates Z: 42 34.117 2.048 0.601 0.684 0.927 0.683 CB 1.481 42 residues pruned to eliminate duplicates Z: 15 26.606 2.107 0.441 0.907 1.000 0.786 CB 1.666 15 residues pruned to eliminate duplicates Z: 24 27.744 2.147 0.630 0.679 0.957 0.696 CB 1.465 24 residues pruned to eliminate duplicates Z: 27 29.749 2.115 0.798 0.613 0.923 0.654 CB 1.493 27 residues pruned to eliminate duplicates Z: 31 24.837 2.025 0.685 0.594 0.933 0.633 CB 1.302 31 residues pruned to eliminate duplicates Z: 26 25.751 2.114 0.536 0.679 0.960 0.600 CB 1.401 26 residues pruned to eliminate duplicates Z: 27 24.164 2.139 0.506 0.632 0.885 0.577 CB 1.469 27 residues pruned to eliminate duplicates Z: 32 21.251 2.004 0.571 0.530 0.839 0.581 CB 1.403 32 residues pruned to eliminate duplicates Z: 26 28.579 2.152 0.542 0.704 0.960 0.720 CB 1.490 26 residues pruned to eliminate duplicates Z: 25 26.201 2.154 0.636 0.628 0.917 0.750 CB 1.468 25 residues pruned to eliminate duplicates Z: 28 21.422 2.051 0.593 0.606 0.889 0.630 CB 1.284 28 residues pruned to eliminate duplicates Z: 32 21.215 1.970 0.673 0.540 0.806 0.419 CB 1.378 32 residues pruned to eliminate duplicates Z: 28 25.729 2.049 0.717 0.638 0.889 0.667 CB 1.392 28 residues pruned to eliminate duplicates Z: 26 28.094 2.147 0.534 0.682 0.960 0.640 CB 1.502 28 residues pruned to eliminate duplicates Z: 19 25.637 2.057 0.603 0.712 0.944 0.556 CB 1.601 19 residues pruned to eliminate duplicates Z: 30 28.124 2.001 0.722 0.645 0.966 0.586 CB 1.370 28 residues pruned to eliminate duplicates Z: 6 3.930 1.324 0.716 0.454 1.000 0.600 CB 0.810 Z: 6 8.585 1.604 0.663 0.613 1.000 0.800 O 1.293 Z: 27 27.789 2.082 0.795 0.632 0.923 0.577 CB 1.395 39 residues pruned to eliminate duplicates Z: 29 22.983 2.036 0.672 0.587 0.857 0.464 CB 1.369 29 residues pruned to eliminate duplicates Z: 28 23.512 2.071 0.629 0.688 0.926 0.630 CB 1.219 28 residues pruned to eliminate duplicates Z: 31 22.528 2.006 0.404 0.596 0.900 0.567 CB 1.481 31 residues pruned to eliminate duplicates Z: 31 23.618 1.985 0.537 0.625 0.933 0.533 CB 1.347 31 residues pruned to eliminate duplicates Z: 51 29.763 2.125 0.640 0.470 0.820 0.520 CB 1.519 51 residues pruned to eliminate duplicates Z: 44 23.613 2.087 0.498 0.424 0.837 0.349 CB 1.489 44 residues pruned to eliminate duplicates Z: 44 25.336 2.129 0.546 0.425 0.884 0.488 CB 1.436 44 residues pruned to eliminate duplicates Z: 44 24.033 2.112 0.471 0.432 0.860 0.512 CB 1.471 44 residues pruned to eliminate duplicates Z: 24 19.489 2.083 0.469 0.574 0.913 0.739 CB 1.355 24 residues pruned to eliminate duplicates Z: 42 23.201 2.146 0.401 0.432 0.878 0.488 CB 1.472 42 residues pruned to eliminate duplicates Z: 41 25.005 2.164 0.474 0.469 0.900 0.425 CB 1.422 41 residues pruned to eliminate duplicates Z: 25 21.451 2.093 0.575 0.495 0.875 0.500 CB 1.526 25 residues pruned to eliminate duplicates Z: 39 24.799 2.191 0.485 0.471 0.842 0.368 CB 1.511 39 residues pruned to eliminate duplicates Z: 46 22.468 2.057 0.494 0.407 0.844 0.511 CB 1.423 46 residues pruned to eliminate duplicates Z: 24 18.446 2.034 0.552 0.514 0.826 0.478 CB 1.455 24 residues pruned to eliminate duplicates Z: 39 23.955 2.188 0.603 0.468 0.789 0.421 CB 1.449 39 residues pruned to eliminate duplicates Z: 52 26.700 2.067 0.605 0.504 0.863 0.431 CB 1.302 52 residues pruned to eliminate duplicates Z: 13 20.191 2.006 0.538 0.737 0.917 0.333 CA 1.666 13 residues pruned to eliminate duplicates Z: 25 19.012 2.105 0.381 0.529 0.833 0.417 CB 1.556 25 residues pruned to eliminate duplicates Z: 26 17.202 2.032 0.386 0.473 0.840 0.240 CB 1.494 26 residues pruned to eliminate duplicates Z: 40 23.523 2.126 0.631 0.441 0.821 0.436 CB 1.408 40 residues pruned to eliminate duplicates Z: 43 24.436 2.132 0.615 0.439 0.810 0.476 CB 1.441 43 residues pruned to eliminate duplicates Z: 41 25.736 2.178 0.525 0.442 0.825 0.500 CB 1.577 41 residues pruned to eliminate duplicates Z: 25 22.487 2.080 0.737 0.543 0.833 0.542 CB 1.462 25 residues pruned to eliminate duplicates Z: 27 18.156 1.971 0.453 0.495 0.846 0.346 CB 1.477 27 residues pruned to eliminate duplicates Z: 26 18.037 2.088 0.399 0.540 0.840 0.640 CB 1.414 26 residues pruned to eliminate duplicates Z: 42 20.446 2.054 0.456 0.429 0.854 0.415 CB 1.346 42 residues pruned to eliminate duplicates Z: 53 23.056 2.103 0.424 0.486 0.808 0.365 CB 1.341 53 residues pruned to eliminate duplicates Z: 17 16.649 2.216 0.738 0.340 0.875 0.562 CB 1.470 17 residues pruned to eliminate duplicates Z: 25 14.578 2.172 0.453 0.372 0.750 0.542 CB 1.441 25 residues pruned to eliminate duplicates Z: 18 15.078 2.178 0.557 0.390 0.824 0.471 CB 1.471 18 residues pruned to eliminate duplicates Z: 18 15.668 2.189 0.582 0.356 0.824 0.529 CB 1.557 18 residues pruned to eliminate duplicates Z: 22 15.244 2.077 0.477 0.271 1.000 0.476 CB 1.406 22 residues pruned to eliminate duplicates Z: 17 18.128 2.325 0.545 0.337 0.875 0.312 CB 1.723 17 residues pruned to eliminate duplicates Z: 25 20.252 2.221 0.720 0.353 0.833 0.417 CB 1.522 25 residues pruned to eliminate duplicates Z: 18 19.503 2.185 0.737 0.393 0.941 0.471 CA 1.483 18 residues pruned to eliminate duplicates Z: 20 17.947 2.163 0.643 0.340 0.947 0.526 CB 1.456 20 residues pruned to eliminate duplicates Z: 18 17.111 2.220 0.588 0.349 0.882 0.412 CB 1.572 18 residues pruned to eliminate duplicates Z: 17 17.587 2.248 0.656 0.319 0.875 0.500 CB 1.647 17 residues pruned to eliminate duplicates Z: 66 42.958 2.160 0.788 0.531 0.892 0.585 CB 1.500 66 residues pruned to eliminate duplicates Z: 22 14.360 2.127 0.531 0.290 0.857 0.333 CB 1.420 22 residues pruned to eliminate duplicates Z: 6 2.101 1.614 0.444 0.298 0.600 0.600 N 0.843 Z: 6 4.122 1.572 0.459 0.319 0.800 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 19 16.207 1.866 0.448 0.718 0.944 0.611 CB 1.229 32 residues pruned to eliminate duplicates Z: 15 18.514 1.906 0.685 0.850 1.000 0.643 CB 1.141 15 residues pruned to eliminate duplicates Z: 19 17.562 1.928 0.662 0.676 0.833 0.500 CB 1.318 19 residues pruned to eliminate duplicates Z: 20 17.571 1.846 0.617 0.654 0.895 0.684 CB 1.307 20 residues pruned to eliminate duplicates Z: 20 18.160 1.842 0.456 0.682 0.947 0.684 CB 1.387 20 residues pruned to eliminate duplicates Z: 18 17.253 1.897 0.475 0.761 0.882 0.588 CB 1.344 18 residues pruned to eliminate duplicates Z: 19 14.849 1.887 0.390 0.658 0.889 0.500 CB 1.297 19 residues pruned to eliminate duplicates Z: 27 12.010 1.768 0.507 0.521 0.885 0.423 CB 0.979 38 residues pruned to eliminate duplicates Z: 16 19.441 1.924 0.476 0.770 1.000 0.800 CB 1.391 16 residues pruned to eliminate duplicates Z: 21 14.613 1.797 0.451 0.621 0.850 0.550 CB 1.315 21 residues pruned to eliminate duplicates Z: 20 19.300 1.828 0.501 0.709 0.947 0.684 CB 1.408 19 residues pruned to eliminate duplicates Z: 17 19.370 1.790 0.492 0.832 1.000 0.625 CB 1.361 17 residues pruned to eliminate duplicates Z: 14 18.752 1.924 0.408 0.855 1.000 0.769 CB 1.418 14 residues pruned to eliminate duplicates Z: 18 20.095 1.901 0.607 0.770 0.882 0.765 CB 1.423 18 residues pruned to eliminate duplicates Z: 9 13.981 1.766 0.542 0.713 1.000 0.625 CA 1.496 9 residues pruned to eliminate duplicates Z: 9 11.215 1.739 0.610 0.619 0.875 0.750 CB 1.447 9 residues pruned to eliminate duplicates Z: 9 8.496 1.686 0.421 0.710 0.875 0.625 CB 1.183 8 residues pruned to eliminate duplicates Z: 10 11.131 1.706 0.509 0.788 1.000 0.667 CB 1.118 10 residues pruned to eliminate duplicates Z: 10 6.870 1.602 0.449 0.525 0.778 0.444 CB 1.237 9 residues pruned to eliminate duplicates Z: 9 14.262 1.749 0.578 0.813 1.000 0.750 CB 1.391 9 residues pruned to eliminate duplicates Z: 8 13.105 1.740 0.785 0.774 1.000 0.571 CB 1.251 8 residues pruned to eliminate duplicates Z: 10 9.518 1.835 0.830 0.564 0.778 0.111 CB 1.141 10 residues pruned to eliminate duplicates Z: 42 41.327 2.141 0.763 0.711 0.902 0.756 CA 1.565 42 residues pruned to eliminate duplicates Z: 36 45.253 2.209 0.767 0.731 0.943 0.743 CB 1.688 36 residues pruned to eliminate duplicates Z: 38 52.978 2.268 0.963 0.742 0.919 0.703 CA 1.714 38 residues pruned to eliminate duplicates Z: 35 53.017 2.301 0.909 0.776 0.941 0.735 CA 1.723 35 residues pruned to eliminate duplicates Z: 38 47.160 2.282 0.815 0.740 0.892 0.622 CB 1.693 38 residues pruned to eliminate duplicates Z: 18 47.132 2.376 1.137 0.793 0.941 0.471 CB 1.849 18 residues pruned to eliminate duplicates Z: 38 47.368 2.213 0.866 0.716 0.919 0.676 CB 1.688 38 residues pruned to eliminate duplicates Z: 26 40.449 2.337 0.911 0.687 0.840 0.600 CB 1.817 26 residues pruned to eliminate duplicates Z: 37 48.040 2.283 0.827 0.759 0.917 0.611 CB 1.663 37 residues pruned to eliminate duplicates Z: 34 56.099 2.295 1.086 0.763 0.939 0.576 CB 1.719 34 residues pruned to eliminate duplicates Z: 39 53.691 2.269 1.041 0.735 0.895 0.658 CB 1.703 39 residues pruned to eliminate duplicates Z: 37 55.969 2.268 0.886 0.784 0.972 0.639 CA 1.746 37 residues pruned to eliminate duplicates Z: 44 49.426 2.182 0.801 0.756 0.930 0.651 CA 1.641 44 residues pruned to eliminate duplicates Z: 43 55.238 2.246 0.930 0.763 0.929 0.786 CB 1.677 43 residues pruned to eliminate duplicates Z: 38 49.423 2.245 1.014 0.745 0.865 0.649 CB 1.668 38 residues pruned to eliminate duplicates Z: 35 46.073 2.250 0.888 0.748 0.912 0.588 CB 1.634 35 residues pruned to eliminate duplicates Z: 36 47.928 2.234 0.924 0.731 0.914 0.686 CB 1.675 36 residues pruned to eliminate duplicates Z: 45 54.950 2.212 0.992 0.760 0.932 0.636 CB 1.601 45 residues pruned to eliminate duplicates Z: 40 48.294 2.230 0.885 0.721 0.897 0.590 CB 1.679 40 residues pruned to eliminate duplicates Z: 40 52.648 2.208 0.994 0.720 0.897 0.641 CB 1.749 40 residues pruned to eliminate duplicates Z: 37 57.105 2.279 1.096 0.790 0.917 0.667 CB 1.685 37 residues pruned to eliminate duplicates Z: 41 53.061 2.232 0.925 0.743 0.950 0.825 CB 1.654 41 residues pruned to eliminate duplicates Z: 37 55.583 2.288 0.959 0.746 0.944 0.694 CB 1.756 37 residues pruned to eliminate duplicates Z: 41 50.781 2.218 0.977 0.741 0.900 0.625 CB 1.639 41 residues pruned to eliminate duplicates Z: 44 51.191 2.214 0.883 0.792 0.907 0.605 CB 1.599 44 residues pruned to eliminate duplicates Z: 41 51.824 2.190 0.988 0.732 0.900 0.625 CB 1.697 41 residues pruned to eliminate duplicates Z: 45 56.537 2.236 0.998 0.779 0.909 0.591 CB 1.641 45 residues pruned to eliminate duplicates Z: 44 50.803 2.136 0.944 0.682 0.977 0.581 CB 1.617 44 residues pruned to eliminate duplicates Z: 40 55.136 2.233 0.955 0.713 0.974 0.615 CB 1.711 40 residues pruned to eliminate duplicates Z: 41 53.286 2.221 1.014 0.784 0.900 0.675 CB 1.630 41 residues pruned to eliminate duplicates Z: 44 55.465 2.226 1.011 0.746 0.953 0.581 CB 1.591 44 residues pruned to eliminate duplicates Z: 46 44.862 2.093 0.957 0.738 0.911 0.556 CB 1.448 46 residues pruned to eliminate duplicates Z: 45 46.962 2.164 1.017 0.682 0.909 0.591 CB 1.510 45 residues pruned to eliminate duplicates Z: 45 60.325 2.210 1.031 0.771 0.977 0.614 CB 1.630 45 residues pruned to eliminate duplicates Z: 48 58.027 2.178 1.110 0.777 0.957 0.681 CB 1.507 48 residues pruned to eliminate duplicates Z: 50 54.814 2.150 1.031 0.751 0.918 0.612 CB 1.561 50 residues pruned to eliminate duplicates Z: 48 58.043 2.169 1.097 0.784 0.979 0.553 CB 1.481 48 residues pruned to eliminate duplicates Z: 27 31.401 2.041 0.692 0.864 0.962 0.731 CB 1.359 27 residues pruned to eliminate duplicates Z: 47 58.310 2.150 1.091 0.759 0.957 0.565 CB 1.588 47 residues pruned to eliminate duplicates Z: 48 54.770 2.150 1.148 0.781 0.957 0.574 CB 1.410 48 residues pruned to eliminate duplicates Z: 47 52.556 2.175 1.052 0.759 0.935 0.478 CB 1.475 47 residues pruned to eliminate duplicates Z: 43 52.178 2.197 1.103 0.802 0.881 0.595 CB 1.520 43 residues pruned to eliminate duplicates Z: 18 25.282 1.904 1.098 0.822 0.824 0.353 CB 1.410 18 residues pruned to eliminate duplicates Z: 21 16.432 1.888 0.581 0.703 0.850 0.500 CB 1.204 21 residues pruned to eliminate duplicates Z: 7 6.375 1.739 0.450 0.493 0.833 0.500 CB 1.247 7 residues pruned to eliminate duplicates Z: 6 5.902 1.682 0.261 0.664 0.800 0.400 CB 1.336 6 residues pruned to eliminate duplicates Z: 12 6.593 1.403 0.297 0.505 0.909 0.091 O 1.196 12 residues pruned to eliminate duplicates Z: 7 5.476 1.554 0.571 0.506 0.833 0.333 CA 1.092 7 residues pruned to eliminate duplicates Z: 11 5.843 1.575 0.578 0.611 0.900 0.600 CB 0.743 11 residues pruned to eliminate duplicates Z: 13 6.048 1.609 0.307 0.720 0.917 0.500 CB 0.742 13 residues pruned to eliminate duplicates Z: 8 5.678 1.732 0.218 0.766 0.857 0.429 CB 0.937 8 residues pruned to eliminate duplicates Z: 8 6.886 1.744 0.332 0.767 0.857 0.714 CB 1.032 8 residues pruned to eliminate duplicates Z: 15 7.051 1.589 0.133 0.536 0.857 0.357 CB 1.179 15 residues pruned to eliminate duplicates Z: 12 9.212 1.787 0.283 0.743 0.818 0.545 CB 1.191 12 residues pruned to eliminate duplicates Z: 14 14.846 1.946 0.338 0.773 0.923 0.538 CB 1.346 12 residues pruned to eliminate duplicates Z: 14 18.417 1.954 0.269 0.898 1.000 0.846 CB 1.473 14 residues pruned to eliminate duplicates Z: 14 18.425 1.957 0.441 0.766 0.923 0.692 CA 1.550 14 residues pruned to eliminate duplicates Z: 17 13.411 1.878 0.307 0.641 0.938 0.625 CB 1.277 17 residues pruned to eliminate duplicates Z: 16 11.874 1.919 0.395 0.587 0.800 0.533 CB 1.317 16 residues pruned to eliminate duplicates Z: 13 18.566 2.009 0.569 0.756 1.000 0.250 CB 1.353 13 residues pruned to eliminate duplicates Z: 21 11.937 1.807 0.757 0.516 0.800 0.550 CB 1.034 21 residues pruned to eliminate duplicates Z: 15 12.196 1.915 0.619 0.660 0.786 0.429 CB 1.153 15 residues pruned to eliminate duplicates Z: 12 17.497 2.042 0.585 0.831 0.909 0.364 CB 1.348 12 residues pruned to eliminate duplicates Z: 13 17.001 2.004 0.496 0.839 0.917 0.500 CB 1.333 13 residues pruned to eliminate duplicates Z: 13 17.607 1.968 0.595 0.836 1.000 0.333 CB 1.212 13 residues pruned to eliminate duplicates Z: 13 21.168 2.035 0.781 0.857 0.917 0.583 CB 1.355 13 residues pruned to eliminate duplicates Z: 18 24.122 1.962 0.356 0.863 1.000 0.765 CA 1.614 18 residues pruned to eliminate duplicates Z: 18 26.093 1.993 0.521 0.855 1.000 0.824 CB 1.541 18 residues pruned to eliminate duplicates Z: 15 21.312 1.917 0.330 0.856 1.000 0.714 CA 1.648 15 residues pruned to eliminate duplicates Z: 23 25.491 2.008 0.457 0.658 1.000 0.818 CA 1.605 29 residues pruned to eliminate duplicates Z: 17 22.272 1.987 0.345 0.889 0.938 0.875 CB 1.600 17 residues pruned to eliminate duplicates Z: 25 18.309 1.914 0.503 0.585 0.875 0.667 CB 1.369 25 residues pruned to eliminate duplicates Z: 23 29.065 1.996 0.604 0.767 1.000 0.818 CB 1.527 23 residues pruned to eliminate duplicates Z: 18 23.457 1.996 0.417 0.879 0.941 0.824 CB 1.550 18 residues pruned to eliminate duplicates Z: 23 25.658 1.980 0.526 0.722 1.000 0.682 CB 1.481 23 residues pruned to eliminate duplicates Z: 23 15.114 1.942 0.364 0.596 0.773 0.409 CB 1.437 23 residues pruned to eliminate duplicates Z: 14 24.322 2.085 0.598 0.827 0.923 0.462 CB 1.653 14 residues pruned to eliminate duplicates Z: 23 22.216 1.936 0.675 0.699 0.955 0.727 CB 1.276 23 residues pruned to eliminate duplicates Z: 23 23.742 1.992 0.454 0.695 0.955 0.864 CB 1.532 23 residues pruned to eliminate duplicates Z: 16 28.112 2.064 0.544 0.861 1.000 0.667 CB 1.673 16 residues pruned to eliminate duplicates Z: 19 20.372 1.941 0.386 0.723 0.944 0.778 CB 1.545 18 residues pruned to eliminate duplicates Z: 21 22.679 1.963 0.402 0.763 0.950 0.800 CB 1.537 21 residues pruned to eliminate duplicates Z: 24 21.658 1.977 0.343 0.679 0.957 0.609 CB 1.508 25 residues pruned to eliminate duplicates Z: 6 4.259 1.538 0.387 0.369 0.800 0.400 N 1.285 6 residues pruned to eliminate duplicates Z: 29 28.046 2.290 0.576 0.503 0.929 0.643 CB 1.576 31 residues pruned to eliminate duplicates Z: 6 4.824 1.756 0.495 0.241 1.000 0.600 CA 1.109 6 residues pruned to eliminate duplicates Z: 31 23.541 2.210 0.448 0.503 0.867 0.600 CB 1.546 31 residues pruned to eliminate duplicates Z: 28 28.390 2.242 0.742 0.552 0.889 0.667 CB 1.497 27 residues pruned to eliminate duplicates Z: 10 26.082 2.270 0.936 0.699 1.000 0.667 CA 1.650 10 residues pruned to eliminate duplicates Z: 30 29.539 2.265 0.694 0.496 0.897 0.655 CB 1.601 31 residues pruned to eliminate duplicates Z: 9 28.771 2.263 1.076 0.855 1.000 0.750 CB 1.598 9 residues pruned to eliminate duplicates Z: 31 33.873 2.219 0.745 0.591 1.000 0.567 CB 1.464 29 residues pruned to eliminate duplicates Z: 9 24.168 2.179 0.957 0.846 1.000 0.750 CB 1.488 9 residues pruned to eliminate duplicates Z: 29 29.260 2.252 0.718 0.528 0.893 0.464 CB 1.557 29 residues pruned to eliminate duplicates Z: 36 24.599 2.175 0.670 0.478 0.829 0.486 CB 1.413 36 residues pruned to eliminate duplicates Z: 28 33.436 2.314 0.761 0.538 0.963 0.519 CB 1.580 28 residues pruned to eliminate duplicates Z: 29 35.023 2.275 0.784 0.529 0.964 0.464 CB 1.644 30 residues pruned to eliminate duplicates Z: 6 5.228 1.783 0.563 0.467 1.000 0.800 CA 0.868 6 residues pruned to eliminate duplicates Z: 30 32.512 2.275 0.733 0.530 0.931 0.552 CB 1.597 30 residues pruned to eliminate duplicates Z: 27 20.831 2.178 0.616 0.498 0.885 0.654 CB 1.315 33 residues pruned to eliminate duplicates Z: 20 19.193 1.975 0.581 0.468 1.000 0.579 CB 1.456 20 residues pruned to eliminate duplicates Z: 46 36.279 2.125 0.847 0.589 0.867 0.667 CB 1.460 76 residues pruned to eliminate duplicates Z: 18 21.261 2.153 0.715 0.512 0.941 0.588 CB 1.467 Z: 8 8.349 2.029 0.540 0.665 0.714 0.286 CB 1.214 8 residues pruned to eliminate duplicates Z: 26 12.969 2.082 0.545 0.366 0.760 0.560 CB 1.225 19 residues pruned to eliminate duplicates Z: 8 10.715 2.094 0.429 0.666 0.857 0.429 CB 1.354 8 residues pruned to eliminate duplicates Z: 20 14.536 2.082 0.591 0.434 0.895 0.684 CB 1.204 20 residues pruned to eliminate duplicates Z: 19 18.489 2.081 0.669 0.469 0.944 0.667 CB 1.372 26 residues pruned to eliminate duplicates Z: 9 12.142 1.823 0.684 0.657 1.000 0.625 CB 1.209 9 residues pruned to eliminate duplicates Z: 26 17.286 2.182 0.509 0.428 0.800 0.480 CB 1.414 18 residues pruned to eliminate duplicates Z: 11 9.666 1.787 1.083 0.498 0.800 0.500 CB 1.028 11 residues pruned to eliminate duplicates Z: 41 49.239 2.204 0.800 0.801 0.975 0.800 CA 1.547 41 residues pruned to eliminate duplicates Z: 42 52.293 2.209 0.951 0.773 0.951 0.707 CA 1.565 42 residues pruned to eliminate duplicates Z: 38 42.631 2.185 0.874 0.725 0.919 0.649 CA 1.521 38 residues pruned to eliminate duplicates Z: 39 44.930 2.205 0.948 0.709 0.921 0.737 CB 1.524 39 residues pruned to eliminate duplicates Z: 54 49.251 2.138 0.833 0.709 0.925 0.736 CB 1.544 54 residues pruned to eliminate duplicates Z: 44 58.319 2.251 1.032 0.745 0.977 0.674 CA 1.599 44 residues pruned to eliminate duplicates Z: 39 43.622 2.149 1.005 0.665 0.947 0.474 CB 1.488 39 residues pruned to eliminate duplicates Z: 31 42.744 2.289 1.168 0.679 0.933 0.700 CB 1.429 31 residues pruned to eliminate duplicates Z: 51 50.486 2.187 0.797 0.779 0.940 0.820 CB 1.511 51 residues pruned to eliminate duplicates Z: 45 47.003 2.167 0.900 0.730 0.932 0.705 CB 1.501 45 residues pruned to eliminate duplicates Z: 45 64.379 2.233 1.003 0.824 1.000 0.773 CA 1.639 45 residues pruned to eliminate duplicates Z: 44 48.369 2.169 1.072 0.674 0.930 0.605 CB 1.503 44 residues pruned to eliminate duplicates Z: 50 48.604 2.172 0.848 0.749 0.918 0.653 CB 1.508 50 residues pruned to eliminate duplicates Z: 47 53.113 2.144 0.915 0.739 0.957 0.674 CB 1.609 47 residues pruned to eliminate duplicates Z: 43 70.139 2.247 1.240 0.790 1.000 0.667 CB 1.667 43 residues pruned to eliminate duplicates Z: 59 57.331 2.131 0.924 0.762 0.948 0.759 CB 1.534 59 residues pruned to eliminate duplicates Z: 47 55.659 2.201 1.003 0.777 0.978 0.696 CB 1.490 47 residues pruned to eliminate duplicates Z: 44 57.035 2.222 1.099 0.716 0.977 0.512 CB 1.570 44 residues pruned to eliminate duplicates Z: 50 56.619 2.173 0.993 0.756 0.980 0.612 CB 1.519 50 residues pruned to eliminate duplicates Z: 54 53.226 2.186 0.972 0.740 0.943 0.623 CB 1.449 54 residues pruned to eliminate duplicates Z: 50 58.668 2.155 1.058 0.766 0.980 0.551 CB 1.524 50 residues pruned to eliminate duplicates Z: 47 61.206 2.211 1.161 0.780 0.957 0.565 CB 1.542 47 residues pruned to eliminate duplicates Z: 48 57.066 2.167 1.090 0.755 0.894 0.489 CB 1.639 48 residues pruned to eliminate duplicates Z: 32 30.554 1.993 0.564 0.818 0.903 0.581 CB 1.479 32 residues pruned to eliminate duplicates Z: 26 23.406 1.882 0.799 0.620 0.840 0.440 CB 1.469 26 residues pruned to eliminate duplicates Z: 40 59.271 2.267 1.189 0.797 0.949 0.487 CB 1.555 40 residues pruned to eliminate duplicates Z: 25 25.471 2.004 0.550 0.804 0.958 0.625 CB 1.340 25 residues pruned to eliminate duplicates Z: 24 23.711 2.025 0.476 0.773 0.957 0.478 CB 1.358 24 residues pruned to eliminate duplicates Z: 28 21.383 1.950 0.353 0.730 0.889 0.519 CB 1.427 28 residues pruned to eliminate duplicates Z: 52 36.528 2.039 0.938 0.594 0.863 0.510 CB 1.371 52 residues pruned to eliminate duplicates Z: 32 19.428 1.905 0.468 0.608 0.871 0.484 CB 1.294 32 residues pruned to eliminate duplicates Z: 21 26.444 2.014 0.732 0.730 0.900 0.600 CB 1.532 21 residues pruned to eliminate duplicates Z: 15 23.150 1.962 1.020 0.839 0.857 0.643 CB 1.360 15 residues pruned to eliminate duplicates Z: 18 21.235 1.932 0.882 0.765 0.765 0.294 CB 1.464 18 residues pruned to eliminate duplicates Z: 21 22.689 1.848 0.851 0.682 0.850 0.400 CB 1.477 21 residues pruned to eliminate duplicates Z: 55 52.736 2.135 0.993 0.703 0.963 0.370 CB 1.457 55 residues pruned to eliminate duplicates Z: 29 25.619 1.894 0.603 0.672 0.964 0.429 CB 1.410 29 residues pruned to eliminate duplicates Z: 25 25.961 2.020 0.607 0.730 0.958 0.625 CB 1.385 25 residues pruned to eliminate duplicates Z: 24 19.268 1.982 0.466 0.744 0.913 0.609 CB 1.218 24 residues pruned to eliminate duplicates Z: 11 12.901 1.904 0.366 0.844 0.900 0.700 CB 1.296 11 residues pruned to eliminate duplicates Z: 11 8.995 1.989 0.236 0.768 0.900 0.500 CB 1.014 11 residues pruned to eliminate duplicates Z: 8 8.359 2.151 0.022 0.863 1.000 0.714 CB 1.054 8 residues pruned to eliminate duplicates Z: 10 11.559 1.959 0.081 0.872 1.000 0.889 CB 1.326 10 residues pruned to eliminate duplicates Z: 40 37.082 2.034 0.883 0.752 0.923 0.410 CB 1.342 40 residues pruned to eliminate duplicates Z: 57 50.225 2.146 0.958 0.779 0.911 0.554 CB 1.371 57 residues pruned to eliminate duplicates Z: 34 31.723 2.008 0.643 0.747 0.879 0.485 CB 1.527 34 residues pruned to eliminate duplicates Z: 9 13.103 2.009 0.369 0.884 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 11 15.012 1.878 0.434 0.869 1.000 0.600 CB 1.287 11 residues pruned to eliminate duplicates Z: 12 11.614 1.854 0.345 0.833 1.000 0.545 CB 1.054 12 residues pruned to eliminate duplicates Z: 13 14.258 1.849 0.375 0.800 1.000 0.583 CB 1.246 13 residues pruned to eliminate duplicates Z: 25 17.273 1.815 0.520 0.598 0.958 0.667 CB 1.214 25 residues pruned to eliminate duplicates Z: 14 26.180 1.984 0.632 0.886 1.000 0.846 CB 1.618 14 residues pruned to eliminate duplicates Z: 14 20.866 1.949 0.355 0.902 1.000 1.000 CB 1.563 14 residues pruned to eliminate duplicates Z: 23 16.405 1.860 0.501 0.579 0.955 0.545 CB 1.217 23 residues pruned to eliminate duplicates Z: 14 23.798 1.966 0.677 0.800 0.923 0.692 CB 1.669 14 residues pruned to eliminate duplicates Z: 13 19.586 1.964 0.858 0.693 0.833 0.500 CA 1.559 13 residues pruned to eliminate duplicates Z: 14 24.498 2.001 0.583 0.795 1.000 0.692 CA 1.657 14 residues pruned to eliminate duplicates Z: 14 22.176 1.945 0.624 0.791 0.923 0.615 CA 1.634 14 residues pruned to eliminate duplicates Z: 15 14.424 1.840 0.711 0.608 0.786 0.643 N 1.406 15 residues pruned to eliminate duplicates Z: 15 20.528 1.900 0.694 0.720 0.929 0.714 CB 1.505 15 residues pruned to eliminate duplicates Z: 14 19.684 1.871 0.551 0.748 1.000 0.846 CA 1.507 14 residues pruned to eliminate duplicates Z: 15 19.435 1.856 0.464 0.775 0.929 0.714 CA 1.615 15 residues pruned to eliminate duplicates Z: 13 22.417 1.967 0.422 0.835 1.000 0.667 N 1.733 13 residues pruned to eliminate duplicates Z: 21 21.657 1.918 0.587 0.626 0.950 0.700 CB 1.488 21 residues pruned to eliminate duplicates Z: 23 19.763 1.891 0.524 0.646 0.909 0.682 CB 1.404 23 residues pruned to eliminate duplicates Z: 26 13.696 1.789 0.525 0.405 0.920 0.600 CB 1.206 26 residues pruned to eliminate duplicates Z: 12 6.010 1.807 0.359 0.429 0.818 0.364 CB 0.971 12 residues pruned to eliminate duplicates Z: 11 7.971 1.802 0.388 0.463 0.900 0.500 CB 1.163 11 residues pruned to eliminate duplicates Z: 22 20.721 1.904 0.819 0.663 0.905 0.619 CB 1.241 22 residues pruned to eliminate duplicates Z: 12 5.712 1.770 0.454 0.411 0.818 0.455 CB 0.898 12 residues pruned to eliminate duplicates Z: 11 5.552 1.678 0.841 0.335 0.900 0.600 CB 0.756 11 residues pruned to eliminate duplicates Z: 12 6.417 1.566 0.141 0.780 0.727 0.636 O 1.163 12 residues pruned to eliminate duplicates Z: 10 9.393 1.578 0.384 0.619 1.000 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 15 10.866 1.740 0.111 0.863 0.929 0.786 CB 1.186 15 residues pruned to eliminate duplicates Z: 17 11.516 1.715 0.222 0.740 0.938 0.688 CB 1.181 17 residues pruned to eliminate duplicates Z: 20 14.447 1.696 0.262 0.784 1.000 0.579 CB 1.206 20 residues pruned to eliminate duplicates Z: 17 14.321 1.726 0.476 0.734 1.000 0.688 CB 1.139 17 residues pruned to eliminate duplicates Z: 17 11.426 1.754 0.290 0.706 1.000 0.625 CB 1.046 17 residues pruned to eliminate duplicates Z: 13 11.392 1.743 0.510 0.704 0.833 0.500 CB 1.245 13 residues pruned to eliminate duplicates Z: 13 10.169 1.727 0.493 0.702 0.833 0.500 CB 1.137 13 residues pruned to eliminate duplicates Z: 14 10.010 1.703 0.657 0.798 0.846 0.538 CB 0.896 14 residues pruned to eliminate duplicates Z: 15 10.370 1.661 0.770 0.706 0.786 0.286 CB 0.995 15 residues pruned to eliminate duplicates Z: 10 6.988 1.624 0.406 0.619 0.778 0.333 N 1.172 10 residues pruned to eliminate duplicates Z: 9 6.377 1.675 0.502 0.668 0.750 0.250 CB 1.023 9 residues pruned to eliminate duplicates Z: 11 6.865 1.704 0.264 0.582 0.800 0.400 CB 1.165 11 residues pruned to eliminate duplicates Z: 13 12.530 1.718 0.521 0.878 1.000 0.667 CB 1.005 13 residues pruned to eliminate duplicates Z: 12 9.489 1.593 0.366 0.779 1.000 0.455 CB 1.027 12 residues pruned to eliminate duplicates Z: 13 14.854 1.756 0.654 0.806 1.000 0.917 CB 1.131 13 residues pruned to eliminate duplicates Z: 14 15.976 1.753 0.839 0.830 1.000 0.615 CB 1.033 14 residues pruned to eliminate duplicates Z: 13 10.610 1.757 0.465 0.849 0.917 0.667 CB 0.963 13 residues pruned to eliminate duplicates Z: 7 9.725 1.678 0.883 0.640 0.833 0.500 N 1.323 7 residues pruned to eliminate duplicates Z: 12 12.451 1.798 0.491 0.844 0.909 0.545 CB 1.147 12 residues pruned to eliminate duplicates Z: 44 26.031 2.088 0.568 0.534 0.884 0.488 CB 1.327 44 residues pruned to eliminate duplicates Z: 48 29.228 2.101 0.631 0.559 0.915 0.553 CB 1.284 48 residues pruned to eliminate duplicates Z: 59 22.171 2.028 0.435 0.440 0.845 0.552 CB 1.259 59 residues pruned to eliminate duplicates Z: 19 17.285 2.115 0.614 0.537 0.833 0.500 CB 1.381 Z: 14 26.319 1.923 0.906 0.852 1.000 0.615 CB 1.473 19 residues pruned to eliminate duplicates Z: 14 27.402 1.950 0.901 0.847 0.923 0.615 CB 1.650 14 residues pruned to eliminate duplicates Z: 52 22.243 2.063 0.463 0.460 0.863 0.412 CB 1.246 66 residues pruned to eliminate duplicates Z: 16 15.132 2.081 0.612 0.572 0.867 0.467 CB 1.254 Z: 18 14.898 1.985 0.747 0.530 0.765 0.353 CB 1.324 16 residues pruned to eliminate duplicates Z: 13 31.234 2.111 0.912 0.879 0.917 0.583 CB 1.768 18 residues pruned to eliminate duplicates Z: 11 30.112 2.327 0.838 0.824 1.000 0.300 CB 1.681 11 residues pruned to eliminate duplicates Z: 14 20.396 2.194 0.551 0.703 0.923 0.615 CB 1.497 13 residues pruned to eliminate duplicates Z: 15 15.661 1.871 0.788 0.681 0.786 0.357 CB 1.349 15 residues pruned to eliminate duplicates Z: 38 23.178 2.001 0.655 0.579 0.838 0.405 CB 1.273 52 residues pruned to eliminate duplicates Z: 7 7.856 2.120 0.565 0.498 0.833 0.667 CB 1.162 Z: 30 23.961 2.113 0.492 0.631 0.897 0.586 CB 1.392 37 residues pruned to eliminate duplicates Z: 36 17.189 1.981 0.493 0.469 0.857 0.543 CB 1.183 36 residues pruned to eliminate duplicates Z: 44 20.353 2.023 0.618 0.428 0.907 0.419 CB 1.126 44 residues pruned to eliminate duplicates Z: 61 27.328 2.044 0.671 0.419 0.867 0.400 CB 1.296 61 residues pruned to eliminate duplicates Z: 30 19.482 2.038 0.686 0.548 0.862 0.655 CB 1.166 30 residues pruned to eliminate duplicates Z: 34 18.554 1.977 0.575 0.447 0.848 0.394 CB 1.291 34 residues pruned to eliminate duplicates Z: 48 28.352 2.108 0.578 0.540 0.936 0.532 CB 1.277 48 residues pruned to eliminate duplicates Z: 44 18.795 2.036 0.492 0.398 0.907 0.605 CB 1.158 44 residues pruned to eliminate duplicates Z: 53 26.659 2.055 0.654 0.470 0.885 0.519 CB 1.268 53 residues pruned to eliminate duplicates Z: 48 29.929 2.108 0.694 0.541 0.915 0.447 CB 1.283 48 residues pruned to eliminate duplicates Z: 20 9.961 1.974 0.355 0.356 0.895 0.737 CB 1.116 20 residues pruned to eliminate duplicates Z: 37 18.035 2.070 0.525 0.509 0.861 0.639 CB 1.096 37 residues pruned to eliminate duplicates Z: 21 9.846 1.943 0.530 0.324 0.800 0.550 CB 1.124 21 residues pruned to eliminate duplicates Z: 21 8.461 2.065 0.344 0.349 0.800 0.700 CB 1.004 21 residues pruned to eliminate duplicates Z: 20 10.863 1.982 0.455 0.291 0.895 0.632 CB 1.221 20 residues pruned to eliminate duplicates Z: 20 9.676 2.007 0.395 0.335 0.895 0.632 CB 1.062 20 residues pruned to eliminate duplicates Z: 16 11.946 2.093 0.397 0.423 0.933 0.667 CB 1.224 16 residues pruned to eliminate duplicates Z: 52 28.920 2.107 0.685 0.488 0.882 0.549 CB 1.309 52 residues pruned to eliminate duplicates Z: 58 27.731 2.064 0.540 0.496 0.895 0.509 CB 1.297 58 residues pruned to eliminate duplicates Z: 51 29.861 2.130 0.630 0.550 0.940 0.520 CB 1.232 51 residues pruned to eliminate duplicates Z: 57 28.442 2.062 0.608 0.501 0.929 0.536 CB 1.234 57 residues pruned to eliminate duplicates Z: 50 25.872 2.038 0.651 0.549 0.857 0.490 CB 1.221 50 residues pruned to eliminate duplicates Z: 8 5.467 1.476 0.378 0.363 1.000 0.286 CB 1.177 9 residues pruned to eliminate duplicates Z: 6 3.672 1.793 0.318 0.215 0.800 0.400 CB 1.216 5 residues pruned to eliminate duplicates Z: 13 15.749 1.699 0.771 0.733 0.917 0.750 N 1.337 12 residues pruned to eliminate duplicates Z: 10 18.556 1.938 0.866 0.756 1.000 0.667 CB 1.362 14 residues pruned to eliminate duplicates Z: 9 17.109 1.851 0.855 0.847 1.000 0.500 CB 1.308 9 residues pruned to eliminate duplicates Z: 17 13.828 1.932 0.534 0.479 0.875 0.375 CB 1.362 13 residues pruned to eliminate duplicates Z: 10 18.971 1.737 0.898 0.905 1.000 0.778 CB 1.365 10 residues pruned to eliminate duplicates Z: 8 12.767 1.795 0.813 0.838 1.000 0.857 CB 1.108 8 residues pruned to eliminate duplicates Z: 12 16.165 2.049 0.529 0.627 0.909 0.727 CB 1.518 12 residues pruned to eliminate duplicates Z: 20 11.633 1.799 0.541 0.480 0.789 0.579 CB 1.244 20 residues pruned to eliminate duplicates Z: 26 12.775 1.944 0.535 0.411 0.760 0.600 CB 1.237 26 residues pruned to eliminate duplicates Z: 11 8.073 1.864 0.656 0.408 0.700 0.500 CB 1.300 11 residues pruned to eliminate duplicates Z: 8 12.088 2.042 0.431 0.696 1.000 0.571 CB 1.307 8 residues pruned to eliminate duplicates Z: 9 7.830 1.776 0.573 0.789 1.000 0.625 CB 0.769 8 residues pruned to eliminate duplicates Z: 10 8.973 1.855 0.453 0.626 1.000 0.556 CB 0.986 10 residues pruned to eliminate duplicates Z: 10 13.092 1.833 0.751 0.770 1.000 0.889 CB 1.071 9 residues pruned to eliminate duplicates Z: 6 5.626 1.830 0.302 0.303 0.800 0.400 CB 1.643 6 residues pruned to eliminate duplicates Z: 35 15.093 1.893 0.387 0.409 0.853 0.529 CB 1.272 35 residues pruned to eliminate duplicates Z: 24 16.174 2.019 0.369 0.455 0.957 0.565 CB 1.335 24 residues pruned to eliminate duplicates Z: 24 14.956 2.006 0.308 0.507 0.870 0.565 CB 1.357 24 residues pruned to eliminate duplicates Z: 24 17.285 1.941 0.540 0.457 0.913 0.565 CB 1.380 24 residues pruned to eliminate duplicates Z: 22 14.482 2.061 0.363 0.448 0.810 0.524 CB 1.466 22 residues pruned to eliminate duplicates Z: 23 13.080 2.038 0.247 0.435 0.818 0.591 CB 1.434 23 residues pruned to eliminate duplicates Z: 37 21.384 2.005 0.371 0.524 0.917 0.611 CB 1.382 37 residues pruned to eliminate duplicates Z: 23 11.668 1.985 0.290 0.401 0.864 0.500 CB 1.248 23 residues pruned to eliminate duplicates Z: 22 16.870 2.079 0.388 0.508 0.905 0.667 CB 1.399 22 residues pruned to eliminate duplicates Z: 53 19.834 1.988 0.349 0.379 0.904 0.500 CB 1.292 53 residues pruned to eliminate duplicates Z: 62 30.846 1.979 0.460 0.553 0.967 0.541 CB 1.342 62 residues pruned to eliminate duplicates Z: 33 18.677 1.948 0.593 0.423 0.875 0.562 CB 1.317 36 residues pruned to eliminate duplicates Z: 6 5.387 1.478 0.916 0.449 1.000 0.800 CA 0.896 6 residues pruned to eliminate duplicates Z: 31 17.546 1.884 0.617 0.400 0.900 0.467 CB 1.299 31 residues pruned to eliminate duplicates Z: 37 23.351 2.012 0.472 0.549 0.917 0.639 CB 1.368 37 residues pruned to eliminate duplicates Z: 14 16.449 1.840 0.587 0.797 0.923 0.538 N 1.305 14 residues pruned to eliminate duplicates Z: 40 25.701 1.950 0.588 0.541 0.923 0.667 CB 1.383 40 residues pruned to eliminate duplicates Z: 40 33.123 2.010 0.642 0.651 0.974 0.769 CB 1.433 40 residues pruned to eliminate duplicates Z: 14 18.668 1.931 0.676 0.695 0.923 0.538 CB 1.451 14 residues pruned to eliminate duplicates Z: 44 32.682 1.945 0.662 0.591 0.953 0.651 CB 1.482 44 residues pruned to eliminate duplicates Z: 14 18.836 1.971 0.546 0.676 1.000 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 15 17.868 1.963 0.553 0.666 1.000 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 20 28.035 2.009 0.792 0.730 1.000 0.526 CB 1.453 20 residues pruned to eliminate duplicates Z: 45 30.910 1.957 0.590 0.626 0.955 0.773 CB 1.393 45 residues pruned to eliminate duplicates Z: 32 26.787 2.032 0.681 0.548 0.935 0.581 CB 1.437 32 residues pruned to eliminate duplicates Z: 33 28.683 2.000 0.696 0.547 0.969 0.719 CB 1.474 33 residues pruned to eliminate duplicates Z: 35 29.905 1.923 0.706 0.570 0.971 0.735 CB 1.505 35 residues pruned to eliminate duplicates Z: 43 32.831 1.951 0.726 0.650 0.976 0.738 CB 1.341 44 residues pruned to eliminate duplicates Z: 16 17.856 1.923 0.720 0.722 0.933 0.800 CB 1.222 16 residues pruned to eliminate duplicates Z: 33 30.134 1.989 0.777 0.547 0.969 0.594 CB 1.486 33 residues pruned to eliminate duplicates Z: 34 26.924 1.916 0.580 0.609 0.939 0.576 CB 1.486 34 residues pruned to eliminate duplicates Z: 31 20.714 1.930 0.453 0.565 0.967 0.600 CB 1.311 32 residues pruned to eliminate duplicates Z: 12 12.952 1.851 0.330 0.738 1.000 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 67 31.886 1.972 0.607 0.567 0.909 0.576 CB 1.276 67 residues pruned to eliminate duplicates Z: 40 27.861 1.951 0.671 0.650 0.923 0.590 CB 1.289 40 residues pruned to eliminate duplicates Z: 42 31.299 1.930 0.618 0.637 0.951 0.634 CB 1.447 42 residues pruned to eliminate duplicates Z: 18 16.951 1.751 0.488 0.754 1.000 0.647 CB 1.258 18 residues pruned to eliminate duplicates Z: 14 17.660 1.798 0.550 0.831 1.000 1.000 CB 1.320 13 residues pruned to eliminate duplicates Z: 18 13.638 1.754 0.430 0.898 0.941 0.706 CB 1.002 18 residues pruned to eliminate duplicates Z: 12 20.044 1.796 0.684 0.800 1.000 0.818 N 1.537 12 residues pruned to eliminate duplicates Z: 15 24.394 1.811 0.716 0.909 1.000 0.857 CB 1.489 15 residues pruned to eliminate duplicates Z: 47 27.199 1.875 0.626 0.552 0.913 0.630 CB 1.369 46 residues pruned to eliminate duplicates Z: 18 20.622 1.737 0.782 0.889 0.941 0.765 CB 1.236 18 residues pruned to eliminate duplicates Z: 18 17.374 1.730 0.647 0.841 0.941 0.647 CB 1.172 18 residues pruned to eliminate duplicates Z: 35 22.187 1.977 0.360 0.580 0.882 0.588 CB 1.485 35 residues pruned to eliminate duplicates Z: 8 16.543 2.204 0.342 0.675 1.000 1.000 CA 1.799 8 residues pruned to eliminate duplicates Z: 12 11.383 1.912 0.446 0.532 0.818 0.727 CA 1.470 12 residues pruned to eliminate duplicates Z: 22 20.188 2.042 0.351 0.573 0.905 0.619 CB 1.645 22 residues pruned to eliminate duplicates Z: 21 20.019 2.069 0.388 0.546 0.900 0.500 CA 1.657 21 residues pruned to eliminate duplicates Z: 22 20.129 2.059 0.402 0.517 0.905 0.524 CB 1.654 22 residues pruned to eliminate duplicates Z: 22 19.365 2.008 0.495 0.546 0.857 0.524 CB 1.569 22 residues pruned to eliminate duplicates Z: 23 20.559 1.987 0.483 0.605 0.909 0.682 CB 1.481 23 residues pruned to eliminate duplicates Z: 24 20.044 1.945 0.439 0.511 0.957 0.609 CB 1.544 24 residues pruned to eliminate duplicates Z: 25 19.311 1.932 0.551 0.467 0.875 0.583 CB 1.554 25 residues pruned to eliminate duplicates Z: 35 24.647 1.979 0.596 0.556 0.882 0.647 CB 1.437 35 residues pruned to eliminate duplicates Z: 36 24.621 1.991 0.430 0.588 0.886 0.600 CB 1.516 35 residues pruned to eliminate duplicates Z: 6 6.833 1.717 0.617 0.480 1.000 0.800 CA 1.123 6 residues pruned to eliminate duplicates Z: 14 11.552 1.987 0.367 0.571 0.769 0.615 CB 1.432 14 residues pruned to eliminate duplicates Z: 21 23.459 2.091 0.445 0.601 0.950 0.700 CB 1.659 23 residues pruned to eliminate duplicates Z: 13 14.835 1.998 0.237 0.746 1.000 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 35 23.610 1.898 0.559 0.580 0.971 0.588 CB 1.306 31 residues pruned to eliminate duplicates Z: 10 19.389 2.142 0.425 0.885 1.000 0.889 CA 1.529 11 residues pruned to eliminate duplicates Z: 12 18.482 1.910 0.699 0.822 1.000 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 14 13.554 1.927 0.409 0.631 0.769 0.692 CB 1.591 14 residues pruned to eliminate duplicates Z: 16 13.946 1.875 0.447 0.565 0.800 0.600 CB 1.558 16 residues pruned to eliminate duplicates Z: 14 14.232 2.032 0.267 0.670 0.846 0.615 CB 1.549 14 residues pruned to eliminate duplicates Z: 14 19.307 2.013 0.658 0.690 0.846 0.692 CB 1.593 14 residues pruned to eliminate duplicates Z: 13 23.142 2.059 0.543 0.787 1.000 0.833 CB 1.634 13 residues pruned to eliminate duplicates Z: 14 17.882 2.011 0.523 0.692 0.846 0.462 CB 1.605 14 residues pruned to eliminate duplicates Z: 25 23.341 2.021 0.610 0.626 0.833 0.500 CB 1.560 39 residues pruned to eliminate duplicates Z: 17 22.497 2.010 0.464 0.818 0.938 0.688 CB 1.547 17 residues pruned to eliminate duplicates Z: 17 22.927 2.039 0.531 0.786 0.938 0.688 CB 1.523 17 residues pruned to eliminate duplicates Z: 19 16.901 1.983 0.361 0.722 0.889 0.611 CB 1.358 19 residues pruned to eliminate duplicates Z: 18 21.505 2.000 0.608 0.789 0.824 0.529 CB 1.528 18 residues pruned to eliminate duplicates Z: 18 22.814 1.993 0.644 0.750 0.941 0.588 CB 1.435 16 residues pruned to eliminate duplicates Z: 16 24.823 1.977 0.572 0.886 0.933 0.667 CA 1.594 16 residues pruned to eliminate duplicates Z: 18 22.022 1.980 0.502 0.748 0.882 0.706 CB 1.630 18 residues pruned to eliminate duplicates Z: 19 22.763 1.953 0.594 0.728 0.889 0.667 CB 1.579 19 residues pruned to eliminate duplicates Z: 19 22.924 1.958 0.666 0.700 0.944 0.556 CB 1.462 19 residues pruned to eliminate duplicates Z: 20 19.866 1.861 0.696 0.672 0.895 0.526 CB 1.376 20 residues pruned to eliminate duplicates Z: 20 19.643 1.917 0.779 0.664 0.842 0.579 CB 1.347 20 residues pruned to eliminate duplicates Z: 18 21.529 2.027 0.476 0.768 0.941 0.765 CB 1.463 18 residues pruned to eliminate duplicates Z: 19 19.072 1.946 0.444 0.739 0.889 0.667 CB 1.452 19 residues pruned to eliminate duplicates Z: 18 24.286 2.003 0.688 0.759 0.941 0.647 CB 1.471 18 residues pruned to eliminate duplicates Z: 17 28.756 2.010 0.735 0.855 1.000 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 16 15.303 1.983 0.332 0.746 0.867 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 30 24.974 2.125 0.357 0.594 1.000 0.655 CB 1.470 30 residues pruned to eliminate duplicates Z: 87 48.351 2.124 0.505 0.650 0.942 0.686 CB 1.506 87 residues pruned to eliminate duplicates Z: 30 24.981 2.129 0.412 0.613 0.966 0.552 CB 1.436 30 residues pruned to eliminate duplicates Z: 53 31.344 2.066 0.363 0.654 0.962 0.577 CB 1.392 53 residues pruned to eliminate duplicates Z: 29 25.541 2.152 0.445 0.609 0.964 0.750 CB 1.451 29 residues pruned to eliminate duplicates Z: 30 29.402 2.138 0.529 0.627 1.000 0.517 CB 1.483 30 residues pruned to eliminate duplicates Z: 32 22.881 2.108 0.430 0.578 0.935 0.613 CB 1.351 32 residues pruned to eliminate duplicates Z: 57 37.406 2.098 0.513 0.656 0.929 0.768 CB 1.467 57 residues pruned to eliminate duplicates Z: 31 26.891 2.097 0.607 0.627 0.967 0.700 CB 1.337 31 residues pruned to eliminate duplicates Z: 30 26.607 2.141 0.494 0.642 0.931 0.759 CB 1.452 30 residues pruned to eliminate duplicates Z: 29 30.149 2.128 0.604 0.664 1.000 0.643 CB 1.435 29 residues pruned to eliminate duplicates Z: 29 29.279 2.157 0.628 0.637 0.964 0.679 CB 1.437 29 residues pruned to eliminate duplicates Z: 31 27.174 2.130 0.494 0.613 0.967 0.600 CB 1.449 31 residues pruned to eliminate duplicates Z: 31 21.200 2.063 0.571 0.604 0.867 0.567 CB 1.248 31 residues pruned to eliminate duplicates Z: 31 28.348 2.117 0.612 0.625 0.967 0.633 CB 1.394 31 residues pruned to eliminate duplicates Z: 30 31.150 2.181 0.526 0.651 0.966 0.621 CB 1.563 30 residues pruned to eliminate duplicates Z: 31 26.579 2.119 0.516 0.632 0.967 0.567 CB 1.381 31 residues pruned to eliminate duplicates Z: 48 31.375 2.094 0.532 0.594 0.936 0.574 CB 1.393 48 residues pruned to eliminate duplicates Z: 15 10.747 1.965 0.399 0.419 0.857 0.714 CA 1.325 15 residues pruned to eliminate duplicates Z: 58 33.050 2.068 0.473 0.671 0.877 0.614 CB 1.399 58 residues pruned to eliminate duplicates Z: 30 27.939 2.148 0.538 0.630 0.931 0.759 CB 1.492 30 residues pruned to eliminate duplicates Z: 69 40.723 2.084 0.463 0.640 0.971 0.662 CB 1.464 69 residues pruned to eliminate duplicates Z: 28 24.630 2.145 0.606 0.620 0.926 0.704 CB 1.327 28 residues pruned to eliminate duplicates Z: 69 36.129 2.054 0.443 0.591 0.926 0.706 CB 1.462 69 residues pruned to eliminate duplicates Z: 39 27.941 2.035 0.411 0.708 0.947 0.789 CB 1.380 39 residues pruned to eliminate duplicates Z: 39 27.389 2.007 0.417 0.691 0.895 0.763 CB 1.466 39 residues pruned to eliminate duplicates Z: 68 39.067 2.088 0.484 0.658 0.925 0.746 CB 1.438 68 residues pruned to eliminate duplicates Z: 16 22.809 2.129 0.483 0.795 1.000 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 62 37.717 2.056 0.554 0.633 0.951 0.656 CB 1.403 62 residues pruned to eliminate duplicates Z: 62 32.428 2.067 0.357 0.626 0.934 0.590 CB 1.407 62 residues pruned to eliminate duplicates Z: 16 20.584 2.022 0.768 0.702 0.867 0.533 CB 1.427 16 residues pruned to eliminate duplicates Z: 41 34.094 2.008 0.676 0.690 0.950 0.675 CB 1.417 41 residues pruned to eliminate duplicates Z: 22 29.943 2.087 0.588 0.917 0.952 0.810 CB 1.460 22 residues pruned to eliminate duplicates Z: 88 48.805 2.103 0.547 0.657 0.943 0.655 CB 1.475 88 residues pruned to eliminate duplicates Z: 27 33.261 2.050 0.716 0.776 0.962 0.769 CB 1.511 27 residues pruned to eliminate duplicates Z: 34 32.571 2.020 0.631 0.707 0.939 0.697 CB 1.518 34 residues pruned to eliminate duplicates Z: 19 16.646 1.977 0.713 0.570 0.889 0.333 CB 1.218 19 residues pruned to eliminate duplicates Z: 41 34.319 2.020 0.710 0.681 0.950 0.550 CB 1.399 41 residues pruned to eliminate duplicates Z: 22 31.699 2.118 0.800 0.851 0.952 0.667 CB 1.411 22 residues pruned to eliminate duplicates Z: 26 35.256 2.086 0.896 0.777 0.960 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 25 27.412 1.937 0.843 0.806 0.875 0.583 CB 1.372 25 residues pruned to eliminate duplicates Z: 62 36.620 2.033 0.609 0.653 0.902 0.459 CB 1.378 62 residues pruned to eliminate duplicates Z: 38 33.186 2.030 0.717 0.705 0.946 0.568 CB 1.374 38 residues pruned to eliminate duplicates Z: 31 27.835 1.960 0.743 0.714 0.933 0.400 CB 1.313 31 residues pruned to eliminate duplicates Z: 56 46.380 2.139 0.716 0.693 0.927 0.673 CB 1.541 56 residues pruned to eliminate duplicates Z: 70 41.755 2.052 0.601 0.659 0.942 0.609 CB 1.402 70 residues pruned to eliminate duplicates Z: 36 32.797 2.030 0.681 0.734 0.914 0.514 CB 1.439 36 residues pruned to eliminate duplicates Z: 56 43.685 2.087 0.614 0.702 0.945 0.618 CB 1.539 56 residues pruned to eliminate duplicates Z: 54 39.470 2.021 0.723 0.704 0.887 0.604 CB 1.458 54 residues pruned to eliminate duplicates Z: 36 23.858 1.944 0.517 0.622 0.943 0.514 CB 1.293 36 residues pruned to eliminate duplicates Z: 32 32.748 2.120 0.717 0.744 0.935 0.710 CB 1.388 32 residues pruned to eliminate duplicates Z: 84 50.682 2.096 0.636 0.653 0.952 0.542 CB 1.479 84 residues pruned to eliminate duplicates Z: 70 40.798 2.085 0.595 0.654 0.942 0.551 CB 1.359 70 residues pruned to eliminate duplicates Z: 41 36.763 2.020 0.771 0.708 0.975 0.475 CB 1.380 41 residues pruned to eliminate duplicates Z: 37 32.961 2.034 0.680 0.776 0.917 0.556 CB 1.375 37 residues pruned to eliminate duplicates Z: 40 33.794 1.990 0.776 0.698 0.923 0.487 CB 1.384 40 residues pruned to eliminate duplicates Z: 16 12.721 1.861 0.743 0.529 0.867 0.667 CB 1.136 16 residues pruned to eliminate duplicates Z: 36 34.931 2.000 0.801 0.753 0.914 0.600 CB 1.431 36 residues pruned to eliminate duplicates Z: 39 20.327 1.886 0.673 0.664 0.737 0.395 CB 1.219 39 residues pruned to eliminate duplicates Z: 49 38.573 2.032 0.527 0.731 0.958 0.583 CB 1.521 49 residues pruned to eliminate duplicates Z: 58 40.955 2.075 0.656 0.689 0.877 0.667 CB 1.514 58 residues pruned to eliminate duplicates Z: 58 44.212 2.069 0.775 0.675 0.930 0.632 CB 1.460 58 residues pruned to eliminate duplicates Z: 25 21.516 1.948 0.602 0.538 0.875 0.667 CA 1.550 25 residues pruned to eliminate duplicates Z: 55 42.576 2.060 0.804 0.696 0.907 0.574 CB 1.437 55 residues pruned to eliminate duplicates Z: 18 33.765 2.254 0.751 0.810 0.941 0.824 CA 1.682 18 residues pruned to eliminate duplicates Z: 55 46.436 2.095 0.731 0.739 0.963 0.778 CB 1.460 55 residues pruned to eliminate duplicates Z: 29 25.515 2.083 0.410 0.626 0.893 0.679 CB 1.632 29 residues pruned to eliminate duplicates Z: 18 32.849 2.239 0.770 0.769 0.941 0.765 CA 1.683 18 residues pruned to eliminate duplicates Z: 58 39.116 2.097 0.623 0.700 0.895 0.632 CB 1.417 58 residues pruned to eliminate duplicates Z: 22 23.916 2.008 0.677 0.658 0.905 0.619 CA 1.480 22 residues pruned to eliminate duplicates Z: 59 43.351 2.032 0.757 0.672 0.966 0.586 CB 1.409 59 residues pruned to eliminate duplicates Z: 21 22.175 2.058 0.616 0.645 0.850 0.600 CA 1.532 21 residues pruned to eliminate duplicates Z: 19 30.288 2.185 0.821 0.764 0.889 0.722 CA 1.597 19 residues pruned to eliminate duplicates Z: 19 30.919 2.166 0.759 0.739 0.889 0.611 CA 1.737 19 residues pruned to eliminate duplicates Z: 18 32.606 2.204 0.794 0.749 0.941 0.529 CA 1.702 18 residues pruned to eliminate duplicates Z: 20 36.747 2.151 0.818 0.780 1.000 0.632 CA 1.685 20 residues pruned to eliminate duplicates Z: 19 31.994 2.159 0.731 0.752 1.000 0.722 CA 1.612 19 residues pruned to eliminate duplicates Z: 19 33.014 2.212 0.723 0.758 0.944 0.611 CA 1.717 19 residues pruned to eliminate duplicates Z: 18 33.915 2.227 0.857 0.760 0.941 0.647 CA 1.677 18 residues pruned to eliminate duplicates Z: 19 33.641 2.205 0.775 0.762 0.944 0.833 CA 1.700 19 residues pruned to eliminate duplicates Z: 7 4.524 2.085 -0.100 0.680 1.000 0.833 CB 0.835 7 residues pruned to eliminate duplicates Z: 8 6.762 1.951 0.200 0.729 1.000 1.000 CB 0.888 7 residues pruned to eliminate duplicates Z: 12 23.640 1.998 1.023 0.742 1.000 0.636 CA 1.420 12 residues pruned to eliminate duplicates Z: 30 22.995 2.046 0.717 0.515 0.931 0.517 CB 1.286 30 residues pruned to eliminate duplicates Z: 20 17.102 2.104 0.523 0.511 0.947 0.579 CB 1.279 20 residues pruned to eliminate duplicates Z: 25 22.565 2.100 0.647 0.459 1.000 0.625 CB 1.388 26 residues pruned to eliminate duplicates Z: 9 16.659 2.088 0.669 0.905 0.875 0.875 CA 1.375 9 residues pruned to eliminate duplicates Z: 35 19.750 2.034 0.671 0.379 0.824 0.500 CB 1.377 35 residues pruned to eliminate duplicates Z: 9 19.077 2.214 0.755 0.768 0.875 0.750 CA 1.565 9 residues pruned to eliminate duplicates Z: 48 19.937 2.003 0.592 0.356 0.851 0.553 CB 1.251 48 residues pruned to eliminate duplicates Z: 40 24.732 2.089 0.622 0.477 0.897 0.590 CB 1.333 40 residues pruned to eliminate duplicates Z: 48 28.657 2.094 0.701 0.445 0.894 0.532 CB 1.390 48 residues pruned to eliminate duplicates Z: 22 22.149 2.103 0.785 0.497 0.952 0.524 CA 1.355 22 residues pruned to eliminate duplicates Z: 20 23.940 2.094 0.739 0.572 0.947 0.474 CB 1.485 20 residues pruned to eliminate duplicates Z: 17 13.331 1.986 0.734 0.513 0.875 0.500 CB 1.092 17 residues pruned to eliminate duplicates Z: 31 14.612 1.945 0.432 0.387 0.833 0.500 CB 1.295 32 residues pruned to eliminate duplicates Z: 6 9.477 1.702 0.972 0.404 1.000 0.800 N 1.397 Z: 45 23.934 2.111 0.609 0.428 0.841 0.545 CB 1.362 51 residues pruned to eliminate duplicates Z: 28 13.424 1.949 0.405 0.339 0.852 0.481 CB 1.320 28 residues pruned to eliminate duplicates Z: 17 14.188 1.832 0.483 0.483 0.938 0.562 CB 1.417 17 residues pruned to eliminate duplicates Z: 44 17.142 2.019 0.532 0.365 0.767 0.465 CB 1.273 44 residues pruned to eliminate duplicates Z: 45 21.136 2.025 0.681 0.342 0.864 0.318 CB 1.287 45 residues pruned to eliminate duplicates Z: 50 25.012 2.046 0.650 0.427 0.857 0.490 CB 1.332 56 residues pruned to eliminate duplicates Z: 11 21.125 1.983 0.594 0.714 1.000 0.600 O 1.741 11 residues pruned to eliminate duplicates Z: 48 24.536 2.079 0.602 0.385 0.872 0.489 CB 1.392 48 residues pruned to eliminate duplicates Z: 38 21.975 2.119 0.622 0.499 0.811 0.568 CB 1.298 38 residues pruned to eliminate duplicates Z: 34 26.300 2.025 0.723 0.526 0.909 0.636 CB 1.407 34 residues pruned to eliminate duplicates Z: 26 20.525 2.045 0.647 0.436 0.920 0.760 CB 1.416 26 residues pruned to eliminate duplicates Z: 12 20.132 2.149 0.585 0.571 0.909 0.636 CB 1.830 12 residues pruned to eliminate duplicates Z: 21 20.590 2.145 0.716 0.463 0.850 0.450 CB 1.529 21 residues pruned to eliminate duplicates Z: 20 23.057 2.163 0.961 0.467 0.895 0.579 CB 1.442 20 residues pruned to eliminate duplicates Z: 43 26.959 2.111 0.784 0.417 0.881 0.476 CB 1.367 43 residues pruned to eliminate duplicates Z: 18 15.276 2.175 0.729 0.521 0.706 0.471 CB 1.367 18 residues pruned to eliminate duplicates Z: 51 26.239 2.075 0.657 0.471 0.900 0.640 CB 1.235 51 residues pruned to eliminate duplicates Z: 21 18.239 2.128 0.761 0.477 0.850 0.450 CB 1.311 21 residues pruned to eliminate duplicates Z: 26 19.057 2.022 0.664 0.435 0.920 0.360 CB 1.316 26 residues pruned to eliminate duplicates Z: 11 9.830 1.980 0.821 0.484 0.700 0.200 CB 1.252 11 residues pruned to eliminate duplicates Z: 42 30.374 2.167 0.928 0.479 0.902 0.585 CB 1.285 42 residues pruned to eliminate duplicates Z: 53 28.957 2.075 0.809 0.499 0.827 0.462 CB 1.295 81 residues pruned to eliminate duplicates Z: 8 15.883 2.098 1.191 0.633 0.857 0.714 CB 1.345 8 residues pruned to eliminate duplicates Z: 39 22.137 2.039 0.640 0.454 0.895 0.605 CB 1.258 39 residues pruned to eliminate duplicates Z: 40 22.218 2.022 0.674 0.457 0.846 0.436 CB 1.298 40 residues pruned to eliminate duplicates Z: 49 27.585 2.099 0.587 0.513 0.938 0.583 CB 1.258 49 residues pruned to eliminate duplicates Z: 49 30.170 2.100 0.695 0.490 0.938 0.604 CB 1.317 49 residues pruned to eliminate duplicates Z: 14 8.206 1.938 0.209 0.342 0.923 0.538 CB 1.250 Z: 11 16.806 2.215 0.459 0.619 0.900 0.500 CA 1.632 11 residues pruned to eliminate duplicates Z: 28 29.107 2.270 0.655 0.507 0.963 0.593 CB 1.537 28 residues pruned to eliminate duplicates Z: 9 26.072 2.144 0.947 0.831 1.000 0.750 CB 1.659 9 residues pruned to eliminate duplicates Z: 28 29.354 2.268 0.630 0.522 0.963 0.556 CB 1.553 37 residues pruned to eliminate duplicates Z: 9 22.885 2.104 0.561 0.828 1.000 0.500 CA 1.855 9 residues pruned to eliminate duplicates Z: 30 25.323 2.183 0.498 0.540 0.897 0.690 CB 1.541 28 residues pruned to eliminate duplicates Z: 10 24.459 2.056 0.691 0.860 1.000 0.889 CA 1.724 10 residues pruned to eliminate duplicates Z: 29 25.361 2.221 0.454 0.520 0.929 0.464 CB 1.568 29 residues pruned to eliminate duplicates Z: 29 26.965 2.215 0.509 0.530 0.964 0.571 CB 1.535 29 residues pruned to eliminate duplicates Z: 27 24.720 2.271 0.537 0.512 0.923 0.538 CB 1.487 27 residues pruned to eliminate duplicates Z: 28 25.010 2.144 0.718 0.519 0.889 0.741 CB 1.442 28 residues pruned to eliminate duplicates Z: 17 21.187 2.118 0.723 0.522 0.938 0.812 CB 1.515 17 residues pruned to eliminate duplicates Z: 21 14.400 1.926 0.742 0.384 0.850 0.500 CB 1.278 21 residues pruned to eliminate duplicates Z: 42 28.349 2.099 0.611 0.522 0.878 0.463 CB 1.459 36 residues pruned to eliminate duplicates Z: 10 10.414 2.068 0.347 0.591 1.000 0.778 CB 1.142 10 residues pruned to eliminate duplicates Z: 27 26.253 2.248 0.701 0.547 0.923 0.500 CB 1.393 27 residues pruned to eliminate duplicates Z: 17 18.739 2.124 0.450 0.557 0.938 0.500 CB 1.535 17 residues pruned to eliminate duplicates Z: 17 25.224 2.203 0.833 0.492 1.000 0.688 CB 1.575 17 residues pruned to eliminate duplicates Z: 15 18.009 2.282 0.691 0.551 0.857 0.571 CB 1.385 15 residues pruned to eliminate duplicates Z: 16 20.763 2.246 0.654 0.551 0.933 0.800 CB 1.471 16 residues pruned to eliminate duplicates Z: 21 14.552 2.030 0.633 0.463 0.850 0.550 CB 1.199 21 residues pruned to eliminate duplicates Z: 25 21.157 2.103 0.723 0.590 0.833 0.500 CB 1.313 25 residues pruned to eliminate duplicates Z: 25 24.888 2.196 0.735 0.559 0.792 0.542 CB 1.591 25 residues pruned to eliminate duplicates Z: 39 29.836 2.150 0.567 0.543 0.895 0.553 CB 1.539 37 residues pruned to eliminate duplicates Z: 8 19.431 2.135 0.357 0.867 1.000 0.571 CB 1.855 8 residues pruned to eliminate duplicates Z: 26 24.125 2.045 0.749 0.548 0.880 0.520 CB 1.462 26 residues pruned to eliminate duplicates Z: 15 12.497 2.008 0.443 0.580 0.786 0.500 CB 1.360 15 residues pruned to eliminate duplicates Z: 37 31.522 2.168 0.650 0.560 0.889 0.639 CB 1.560 38 residues pruned to eliminate duplicates Z: 9 20.901 2.107 0.487 0.842 1.000 0.750 CB 1.758 9 residues pruned to eliminate duplicates Z: 12 10.183 1.841 0.656 0.519 0.727 0.455 N 1.360 12 residues pruned to eliminate duplicates Z: 16 12.550 1.741 0.785 0.484 0.867 0.267 CB 1.222 16 residues pruned to eliminate duplicates Z: 36 27.225 2.129 0.621 0.451 0.829 0.571 CB 1.693 36 residues pruned to eliminate duplicates Z: 16 23.941 2.112 0.802 0.633 0.933 0.467 CB 1.535 16 residues pruned to eliminate duplicates Z: 7 8.309 2.092 0.670 0.687 1.000 0.833 CB 0.818 7 residues pruned to eliminate duplicates Z: 8 4.654 2.000 0.710 0.565 0.857 0.571 CB 0.564 8 residues pruned to eliminate duplicates Z: 9 7.635 1.954 0.560 0.510 0.875 0.500 CB 1.002 9 residues pruned to eliminate duplicates Z: 10 9.314 1.911 1.072 0.434 0.778 0.444 CB 1.079 10 residues pruned to eliminate duplicates Z: 46 51.431 2.346 0.670 0.794 0.911 0.733 CB 1.660 46 residues pruned to eliminate duplicates Z: 65 54.261 2.251 0.627 0.753 0.922 0.734 CB 1.603 65 residues pruned to eliminate duplicates Z: 7 13.477 2.272 0.465 0.752 1.000 0.667 CB 1.320 7 residues pruned to eliminate duplicates Z: 14 13.566 2.146 0.439 0.493 0.923 0.615 CB 1.329 14 residues pruned to eliminate duplicates Z: 61 53.784 2.221 0.609 0.782 0.933 0.667 CB 1.624 61 residues pruned to eliminate duplicates Z: 64 53.671 2.210 0.598 0.780 0.968 0.746 CB 1.545 64 residues pruned to eliminate duplicates Z: 49 42.436 2.276 0.528 0.714 0.896 0.729 CB 1.619 49 residues pruned to eliminate duplicates Z: 64 56.731 2.270 0.639 0.765 0.937 0.762 CB 1.621 64 residues pruned to eliminate duplicates Z: 13 22.382 2.117 0.700 0.885 0.917 0.667 CB 1.414 13 residues pruned to eliminate duplicates Z: 68 55.570 2.204 0.728 0.739 0.925 0.731 CB 1.554 64 residues pruned to eliminate duplicates Z: 12 33.767 2.298 1.009 0.892 1.000 0.636 CB 1.584 12 residues pruned to eliminate duplicates Z: 36 48.713 2.398 0.776 0.759 1.000 0.743 CB 1.536 36 residues pruned to eliminate duplicates Z: 42 49.723 2.309 0.737 0.766 0.927 0.780 CB 1.650 42 residues pruned to eliminate duplicates Z: 45 52.452 2.359 0.837 0.748 0.886 0.682 CB 1.649 45 residues pruned to eliminate duplicates Z: 46 54.139 2.355 0.824 0.753 0.933 0.778 CB 1.607 46 residues pruned to eliminate duplicates Z: 44 51.767 2.304 0.777 0.756 0.977 0.791 CB 1.572 44 residues pruned to eliminate duplicates Z: 62 59.123 2.282 0.772 0.744 0.934 0.705 CB 1.610 63 residues pruned to eliminate duplicates Z: 31 39.125 2.211 0.628 0.844 0.967 0.833 CB 1.527 31 residues pruned to eliminate duplicates Z: 43 48.354 2.241 0.841 0.701 0.952 0.667 CB 1.581 43 residues pruned to eliminate duplicates Z: 38 50.234 2.318 0.835 0.773 0.946 0.703 CB 1.613 38 residues pruned to eliminate duplicates Z: 67 51.190 2.259 0.727 0.682 0.924 0.682 CB 1.479 67 residues pruned to eliminate duplicates Z: 43 46.047 2.295 0.804 0.761 0.881 0.548 CB 1.545 43 residues pruned to eliminate duplicates Z: 41 45.413 2.235 0.804 0.722 0.925 0.625 CB 1.575 41 residues pruned to eliminate duplicates Z: 41 59.770 2.321 0.983 0.786 0.950 0.575 CB 1.680 41 residues pruned to eliminate duplicates Z: 46 63.694 2.358 0.976 0.799 0.956 0.733 CB 1.641 46 residues pruned to eliminate duplicates Z: 57 52.512 2.210 0.909 0.743 0.893 0.518 CB 1.498 57 residues pruned to eliminate duplicates Z: 48 52.821 2.188 0.919 0.743 0.894 0.660 CB 1.652 48 residues pruned to eliminate duplicates Z: 60 57.469 2.227 0.861 0.748 0.915 0.644 CB 1.581 60 residues pruned to eliminate duplicates Z: 42 58.163 2.340 0.960 0.779 0.927 0.537 CB 1.671 42 residues pruned to eliminate duplicates Z: 44 63.595 2.364 1.036 0.774 0.977 0.651 CB 1.619 44 residues pruned to eliminate duplicates Z: 42 59.231 2.335 1.051 0.783 0.927 0.537 CB 1.625 42 residues pruned to eliminate duplicates Z: 43 61.135 2.299 1.121 0.751 0.976 0.500 CB 1.583 43 residues pruned to eliminate duplicates Z: 62 58.710 2.275 0.874 0.716 0.934 0.492 CB 1.552 62 residues pruned to eliminate duplicates Z: 41 59.708 2.368 1.027 0.793 0.950 0.575 CB 1.601 41 residues pruned to eliminate duplicates Z: 61 60.970 2.185 1.054 0.743 0.933 0.450 CB 1.512 61 residues pruned to eliminate duplicates Z: 61 59.953 2.270 0.911 0.769 0.917 0.567 CB 1.534 61 residues pruned to eliminate duplicates Z: 45 58.072 2.392 0.944 0.774 0.955 0.568 CB 1.548 45 residues pruned to eliminate duplicates Z: 44 61.648 2.353 0.991 0.797 0.977 0.581 CB 1.584 44 residues pruned to eliminate duplicates Z: 66 56.445 2.205 0.885 0.723 0.938 0.415 CB 1.468 66 residues pruned to eliminate duplicates Z: 44 59.123 2.349 1.039 0.766 0.930 0.488 CB 1.598 44 residues pruned to eliminate duplicates Z: 23 17.791 2.037 0.651 0.496 0.682 0.318 CB 1.662 23 residues pruned to eliminate duplicates Z: 58 56.038 2.223 0.959 0.681 0.947 0.509 CB 1.523 58 residues pruned to eliminate duplicates Z: 47 65.421 2.327 1.114 0.763 0.978 0.370 CB 1.587 47 residues pruned to eliminate duplicates Z: 61 72.760 2.303 1.034 0.775 0.967 0.567 CB 1.627 62 residues pruned to eliminate duplicates Z: 16 26.530 2.088 0.735 0.777 1.000 0.533 CB 1.481 16 residues pruned to eliminate duplicates Z: 60 68.266 2.239 1.145 0.785 0.932 0.593 CB 1.545 60 residues pruned to eliminate duplicates Z: 56 58.605 2.223 1.101 0.744 0.945 0.436 CB 1.438 56 residues pruned to eliminate duplicates Z: 15 26.522 2.111 0.971 0.841 0.857 0.857 CB 1.482 15 residues pruned to eliminate duplicates Z: 59 66.314 2.252 1.034 0.766 0.948 0.362 CB 1.584 61 residues pruned to eliminate duplicates Z: 18 22.806 1.937 0.711 0.748 0.941 0.529 CB 1.420 18 residues pruned to eliminate duplicates Z: 16 25.451 2.018 0.739 0.788 0.933 0.400 CB 1.557 16 residues pruned to eliminate duplicates Z: 17 26.068 2.054 0.977 0.737 1.000 0.625 CB 1.298 17 residues pruned to eliminate duplicates Z: 17 19.660 1.798 0.830 0.670 0.812 0.438 CB 1.572 17 residues pruned to eliminate duplicates Z: 59 59.490 2.283 0.995 0.720 0.897 0.483 CB 1.568 59 residues pruned to eliminate duplicates Z: 18 26.519 1.962 0.928 0.752 0.941 0.471 CB 1.443 18 residues pruned to eliminate duplicates Z: 16 29.752 2.080 0.997 0.738 0.933 0.467 CB 1.601 16 residues pruned to eliminate duplicates Z: 18 26.600 1.878 1.085 0.779 1.000 0.647 CB 1.287 18 residues pruned to eliminate duplicates Z: 64 59.793 2.250 0.861 0.775 0.921 0.635 CB 1.533 64 residues pruned to eliminate duplicates 980 residues left after pruning, divided into chains as follows: A: 7 B: 14 C: 8 D: 8 E: 10 F: 6 G: 6 H: 9 I: 6 J: 9 K: 12 L: 11 M: 39 N: 10 O: 41 P: 105 Q: 20 R: 10 S: 13 T: 23 U: 26 V: 108 W: 23 X: 23 Y: 7 Z: 15 Z: 63 Z: 37 Z: 18 Z: 120 Z: 44 Z: 129 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 29.17 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.507, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.576, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.672, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.675, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.680, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.685, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.685, Connect. = 0.784 for dens.mod. cycle 9 = 0.300, Contrast = 0.685, Connect. = 0.785 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7597 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1629 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 27.610 2.233 0.605 0.917 1.000 1.000 CA 1.508 B: 13 29.248 2.387 0.544 0.920 1.000 1.000 CA 1.614 14 residues pruned to eliminate duplicates C: 12 33.652 2.429 0.634 0.908 1.000 0.909 CB 1.816 D: 12 32.158 2.353 0.869 0.899 1.000 0.909 CA 1.576 13 residues pruned to eliminate duplicates E: 12 35.023 2.403 0.758 0.925 1.000 0.818 CA 1.754 11 residues pruned to eliminate duplicates F: 12 27.327 2.415 0.431 0.901 1.000 0.818 CA 1.702 12 residues pruned to eliminate duplicates G: 12 39.631 2.382 0.931 0.903 1.000 0.727 CA 1.851 13 residues pruned to eliminate duplicates H: 13 38.193 2.340 0.961 0.914 1.000 0.750 CA 1.700 12 residues pruned to eliminate duplicates I: 13 37.549 2.366 0.903 0.908 1.000 0.833 CA 1.710 13 residues pruned to eliminate duplicates J: 17 21.906 2.049 0.568 0.886 0.875 0.750 CA 1.405 K: 19 30.029 2.103 0.549 0.907 1.000 0.667 CB 1.545 L: 7 10.272 1.657 0.527 0.873 1.000 0.833 CA 1.207 M: 12 23.841 2.366 0.712 0.866 0.909 0.818 CA 1.429 11 residues pruned to eliminate duplicates N: 13 34.805 2.353 0.784 0.914 1.000 0.917 CA 1.693 13 residues pruned to eliminate duplicates O: 12 34.307 2.301 1.043 0.918 1.000 0.636 CB 1.552 P: 15 23.153 2.000 0.719 0.810 0.929 0.857 N 1.479 Q: 14 22.463 2.012 0.952 0.812 0.923 0.615 CB 1.310 14 residues pruned to eliminate duplicates R: 10 36.040 2.393 1.398 0.816 1.000 0.889 CA 1.591 12 residues pruned to eliminate duplicates S: 9 9.753 2.003 0.266 0.665 0.750 0.625 CA 1.556 T: 9 19.470 2.020 0.597 0.838 1.000 0.625 CA 1.596 U: 13 37.210 2.287 1.064 0.903 1.000 0.917 CA 1.622 13 residues pruned to eliminate duplicates V: 11 32.625 2.350 1.258 0.892 0.900 0.700 CB 1.552 11 residues pruned to eliminate duplicates W: 24 34.770 2.194 0.642 0.874 1.000 0.913 CB 1.465 X: 14 19.861 1.890 0.642 0.831 1.000 0.615 CB 1.333 14 residues pruned to eliminate duplicates Y: 28 39.669 2.192 0.653 0.908 0.963 0.852 CA 1.554 24 residues pruned to eliminate duplicates Z: 16 24.029 2.093 0.382 0.912 1.000 0.800 CA 1.519 16 residues pruned to eliminate duplicates Z: 30 32.151 2.136 0.583 0.879 0.897 0.862 CA 1.428 Z: 12 31.078 2.151 0.873 0.892 1.000 0.818 CA 1.671 10 residues pruned to eliminate duplicates Z: 17 34.935 2.119 0.945 0.860 0.938 0.688 CA 1.662 Z: 23 30.191 2.073 0.824 0.890 0.909 0.727 CB 1.347 Z: 9 20.888 2.334 0.398 0.883 1.000 0.750 CA 1.636 9 residues pruned to eliminate duplicates Z: 18 26.144 1.993 0.553 0.855 1.000 0.824 CA 1.512 18 residues pruned to eliminate duplicates Z: 6 7.796 2.034 0.277 0.709 0.800 0.800 CA 1.388 Z: 30 39.069 2.231 0.471 0.914 0.966 0.862 CA 1.619 30 residues pruned to eliminate duplicates Z: 15 20.215 1.904 0.620 0.837 0.929 0.643 CB 1.411 15 residues pruned to eliminate duplicates Z: 15 31.439 2.237 0.601 0.926 0.929 0.429 CA 1.772 15 residues pruned to eliminate duplicates Z: 16 29.782 2.162 0.803 0.877 0.867 0.600 CB 1.654 16 residues pruned to eliminate duplicates Z: 8 14.557 2.135 0.312 0.909 1.000 0.714 CA 1.394 8 residues pruned to eliminate duplicates Z: 14 35.676 2.203 1.361 0.901 0.923 0.769 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 21.910 2.140 0.378 0.822 0.933 0.867 CA 1.554 16 residues pruned to eliminate duplicates Z: 12 25.756 2.115 0.548 0.891 1.000 0.636 N 1.705 14 residues pruned to eliminate duplicates Z: 6 9.915 1.948 0.247 0.833 1.000 1.000 CB 1.370 Z: 16 23.523 2.115 0.559 0.842 0.933 0.800 CA 1.471 16 residues pruned to eliminate duplicates Z: 10 13.340 1.812 0.198 0.866 1.000 0.889 N 1.500 10 residues pruned to eliminate duplicates Z: 30 46.522 2.249 0.646 0.927 1.000 0.897 CA 1.636 30 residues pruned to eliminate duplicates Z: 31 51.697 2.172 1.035 0.936 0.933 0.633 CB 1.592 28 residues pruned to eliminate duplicates Z: 29 39.678 2.068 0.770 0.871 1.000 0.786 CA 1.494 29 residues pruned to eliminate duplicates Z: 12 34.857 2.297 1.128 0.907 1.000 0.636 CB 1.528 12 residues pruned to eliminate duplicates Z: 14 29.458 2.198 0.711 0.831 1.000 0.769 CA 1.632 14 residues pruned to eliminate duplicates Z: 24 44.648 2.300 0.705 0.934 1.000 0.870 CA 1.656 24 residues pruned to eliminate duplicates Z: 12 6.358 1.694 0.337 0.497 0.909 0.636 CB 0.934 Z: 42 28.439 1.953 0.657 0.596 0.927 0.634 CB 1.351 Z: 30 37.730 2.222 0.311 0.928 1.000 0.897 CA 1.684 30 residues pruned to eliminate duplicates Z: 18 35.568 2.127 0.845 0.914 0.941 0.529 CB 1.652 18 residues pruned to eliminate duplicates Z: 15 26.660 2.118 0.730 0.888 0.929 0.786 CB 1.509 Z: 9 20.817 2.128 0.564 0.874 1.000 0.750 CB 1.610 Z: 10 22.297 2.033 0.640 0.872 1.000 0.556 CB 1.625 9 residues pruned to eliminate duplicates Z: 13 32.054 2.406 0.603 0.875 1.000 0.750 CA 1.746 13 residues pruned to eliminate duplicates Z: 16 34.037 1.976 0.924 0.909 1.000 0.467 CA 1.641 15 residues pruned to eliminate duplicates Z: 18 22.267 1.947 0.550 0.855 0.941 0.824 CB 1.403 Z: 9 12.110 2.129 0.678 0.714 0.750 0.500 CB 1.316 9 residues pruned to eliminate duplicates Z: 31 52.118 2.240 0.938 0.919 1.000 0.633 CB 1.545 31 residues pruned to eliminate duplicates Z: 10 8.771 1.759 -0.075 0.887 1.000 0.889 CB 1.295 Z: 11 12.757 1.974 0.860 0.564 0.800 0.400 CB 1.290 11 residues pruned to eliminate duplicates Z: 15 23.352 2.086 0.778 0.837 1.000 0.786 CB 1.258 15 residues pruned to eliminate duplicates Z: 14 28.838 2.058 0.639 0.930 1.000 0.615 CB 1.657 14 residues pruned to eliminate duplicates Z: 7 22.060 2.201 0.791 0.875 1.000 0.833 CB 1.662 Z: 23 28.002 2.074 0.412 0.880 0.955 0.909 CB 1.549 22 residues pruned to eliminate duplicates Z: 10 15.402 2.252 0.137 0.851 1.000 1.000 CB 1.484 Z: 15 27.075 2.044 0.818 0.894 1.000 0.786 CB 1.397 14 residues pruned to eliminate duplicates Z: 27 51.498 2.243 0.942 0.939 1.000 0.962 CA 1.611 30 residues pruned to eliminate duplicates Z: 9 23.745 2.038 0.702 0.816 1.000 0.750 CA 1.838 9 residues pruned to eliminate duplicates Z: 20 22.619 1.842 0.892 0.832 0.895 0.316 CB 1.249 Z: 8 14.396 1.933 0.297 0.866 1.000 0.857 CB 1.589 8 residues pruned to eliminate duplicates Z: 30 33.336 1.951 0.645 0.911 0.966 0.793 CB 1.417 20 residues pruned to eliminate duplicates Z: 16 32.809 2.181 0.967 0.903 0.867 0.733 CA 1.624 17 residues pruned to eliminate duplicates Z: 17 28.794 2.121 0.797 0.888 0.812 0.438 CB 1.675 17 residues pruned to eliminate duplicates Z: 23 16.467 1.924 0.342 0.500 0.955 0.818 CB 1.424 23 residues pruned to eliminate duplicates Z: 30 48.786 2.235 0.813 0.950 0.966 0.345 CB 1.597 30 residues pruned to eliminate duplicates Z: 30 58.312 2.265 1.052 0.951 1.000 0.517 CB 1.606 31 residues pruned to eliminate duplicates Z: 31 45.068 2.233 0.652 0.933 0.967 0.867 CA 1.610 31 residues pruned to eliminate duplicates Z: 19 25.979 1.964 1.025 0.856 0.944 0.389 CB 1.203 20 residues pruned to eliminate duplicates Z: 13 39.260 2.259 1.306 0.909 1.000 0.750 CA 1.543 13 residues pruned to eliminate duplicates Z: 9 13.188 2.223 0.078 0.863 0.875 0.625 CB 1.631 Z: 12 27.959 2.085 0.803 0.874 1.000 0.727 CB 1.633 10 residues pruned to eliminate duplicates Z: 23 38.137 2.077 0.783 0.926 1.000 0.818 CB 1.540 24 residues pruned to eliminate duplicates Z: 16 35.282 2.222 0.738 0.926 0.933 0.867 CA 1.772 16 residues pruned to eliminate duplicates Z: 28 33.463 1.987 0.501 0.921 1.000 0.852 CB 1.521 Z: 15 24.452 1.933 0.530 0.827 1.000 0.714 CB 1.665 14 residues pruned to eliminate duplicates Z: 12 16.483 2.033 0.718 0.784 0.909 0.636 CB 1.219 Z: 29 46.922 2.233 0.762 0.922 1.000 0.571 CB 1.584 28 residues pruned to eliminate duplicates Z: 17 30.518 2.026 0.893 0.840 0.938 0.562 CB 1.584 17 residues pruned to eliminate duplicates Z: 13 19.241 1.861 0.329 0.917 1.000 0.917 CB 1.585 Z: 56 31.447 2.022 0.373 0.605 0.982 0.782 CB 1.408 48 residues pruned to eliminate duplicates Z: 17 17.798 2.047 0.359 0.844 0.875 0.812 CA 1.359 17 residues pruned to eliminate duplicates Z: 9 13.773 1.971 0.569 0.782 0.875 0.500 CB 1.404 9 residues pruned to eliminate duplicates Z: 17 15.313 2.017 0.630 0.481 0.938 0.562 CB 1.265 Z: 30 43.814 2.221 0.648 0.943 0.966 0.724 CA 1.596 30 residues pruned to eliminate duplicates Z: 13 42.299 2.346 1.179 0.919 1.000 0.500 CA 1.683 13 residues pruned to eliminate duplicates Z: 15 29.598 2.189 0.548 0.880 1.000 0.714 CA 1.691 15 residues pruned to eliminate duplicates Z: 19 36.141 2.142 0.780 0.889 1.000 0.889 CB 1.608 19 residues pruned to eliminate duplicates Z: 30 25.449 2.149 0.582 0.527 0.897 0.655 CB 1.509 13 residues pruned to eliminate duplicates Z: 17 29.236 2.126 0.699 0.881 0.938 0.812 CA 1.563 17 residues pruned to eliminate duplicates Z: 31 47.694 2.166 0.843 0.900 0.967 0.867 CB 1.611 31 residues pruned to eliminate duplicates Z: 15 32.230 2.272 0.642 0.896 0.929 0.643 CA 1.782 15 residues pruned to eliminate duplicates Z: 12 10.983 1.752 0.400 0.705 0.818 0.727 CB 1.369 12 residues pruned to eliminate duplicates Z: 10 12.363 1.847 0.446 0.764 0.889 0.556 N 1.374 10 residues pruned to eliminate duplicates Z: 27 20.177 2.048 0.678 0.366 0.923 0.538 CB 1.441 Z: 32 48.636 2.112 0.874 0.888 1.000 0.581 CB 1.590 28 residues pruned to eliminate duplicates Z: 15 33.157 2.197 0.878 0.900 0.929 0.714 CA 1.653 15 residues pruned to eliminate duplicates Z: 27 23.620 2.260 0.526 0.566 0.885 0.500 CB 1.424 29 residues pruned to eliminate duplicates Z: 19 23.152 1.892 0.409 0.857 1.000 0.778 CB 1.508 18 residues pruned to eliminate duplicates Z: 85 49.732 2.220 0.626 0.541 0.905 0.583 CB 1.596 48 residues pruned to eliminate duplicates Z: 12 19.340 2.099 0.615 0.846 1.000 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 28 20.623 2.008 0.697 0.556 0.889 0.370 CB 1.242 Z: 28 34.863 2.031 0.547 0.911 1.000 0.667 CB 1.513 28 residues pruned to eliminate duplicates Z: 29 34.016 1.961 0.672 0.912 0.964 0.714 CB 1.440 29 residues pruned to eliminate duplicates Z: 23 34.679 2.308 1.031 0.653 0.818 0.545 CA 1.672 23 residues pruned to eliminate duplicates Z: 12 25.687 2.275 0.809 0.844 0.818 0.545 CA 1.711 12 residues pruned to eliminate duplicates Z: 18 35.067 2.165 1.083 0.921 0.941 0.706 CB 1.410 18 residues pruned to eliminate duplicates Z: 14 19.671 1.848 0.444 0.847 0.923 0.692 CA 1.645 13 residues pruned to eliminate duplicates Z: 14 25.291 2.194 0.773 0.861 0.923 0.769 CB 1.435 14 residues pruned to eliminate duplicates Z: 14 34.188 2.216 1.222 0.898 0.923 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 29 47.104 2.277 0.638 0.921 1.000 0.821 CA 1.680 30 residues pruned to eliminate duplicates Z: 41 31.566 1.991 0.671 0.659 0.925 0.750 CB 1.400 42 residues pruned to eliminate duplicates Z: 9 24.825 2.005 0.829 0.885 1.000 0.625 O 1.728 9 residues pruned to eliminate duplicates Z: 30 53.166 2.238 0.814 0.919 1.000 0.862 CA 1.714 32 residues pruned to eliminate duplicates Z: 22 23.560 2.237 0.906 0.605 0.810 0.238 CB 1.348 15 residues pruned to eliminate duplicates Z: 28 36.238 2.033 0.608 0.932 0.963 0.852 CB 1.546 28 residues pruned to eliminate duplicates Z: 17 23.303 2.023 0.545 0.835 1.000 0.750 CA 1.396 17 residues pruned to eliminate duplicates Z: 13 29.034 2.309 0.812 0.846 0.917 0.917 CA 1.624 13 residues pruned to eliminate duplicates Z: 12 24.404 2.090 0.679 0.884 1.000 0.818 CB 1.516 Z: 9 20.914 2.094 0.426 0.903 1.000 0.875 CA 1.765 9 residues pruned to eliminate duplicates Z: 13 40.736 2.288 1.073 0.928 1.000 0.667 CA 1.737 13 residues pruned to eliminate duplicates Z: 30 44.917 2.222 0.658 0.937 1.000 0.828 CA 1.576 30 residues pruned to eliminate duplicates Z: 18 15.827 1.878 0.035 0.850 1.000 0.941 CA 1.462 18 residues pruned to eliminate duplicates Z: 31 43.347 2.206 0.572 0.926 1.000 0.933 CA 1.600 31 residues pruned to eliminate duplicates Z: 16 27.862 2.015 0.785 0.837 1.000 0.600 CB 1.496 16 residues pruned to eliminate duplicates Z: 8 20.446 2.144 0.577 0.823 1.000 0.857 N 1.729 8 residues pruned to eliminate duplicates Z: 6 6.610 2.105 -0.168 0.852 1.000 1.000 CB 1.249 7 residues pruned to eliminate duplicates Z: 24 30.653 2.044 0.692 0.891 0.913 0.652 CB 1.455 24 residues pruned to eliminate duplicates Z: 22 29.519 1.939 0.817 0.881 0.905 0.524 CA 1.463 22 residues pruned to eliminate duplicates Z: 8 23.378 2.280 0.851 0.837 1.000 0.571 CB 1.566 8 residues pruned to eliminate duplicates Z: 13 9.988 1.779 0.513 0.758 0.917 0.667 CB 0.929 Z: 16 21.636 1.959 0.514 0.870 0.933 0.867 CB 1.473 Z: 25 25.471 1.979 0.281 0.921 1.000 0.833 CB 1.444 24 residues pruned to eliminate duplicates Z: 24 13.635 2.048 0.505 0.340 0.826 0.522 CB 1.329 24 residues pruned to eliminate duplicates Z: 9 11.284 1.850 0.211 0.825 1.000 1.000 CB 1.345 10 residues pruned to eliminate duplicates Z: 6 9.663 2.224 0.111 0.628 1.000 1.000 CB 1.551 Z: 10 9.467 1.889 0.001 0.857 1.000 0.889 CB 1.229 Z: 19 17.740 1.932 0.737 0.846 0.778 0.611 CB 1.190 19 residues pruned to eliminate duplicates Z: 16 34.598 2.173 0.845 0.902 0.933 0.333 CA 1.702 16 residues pruned to eliminate duplicates Z: 83 43.094 2.218 0.558 0.539 0.854 0.610 CB 1.553 83 residues pruned to eliminate duplicates Z: 16 31.386 2.139 0.854 0.912 0.933 0.733 CA 1.551 16 residues pruned to eliminate duplicates Z: 26 30.807 2.020 0.593 0.916 0.960 0.840 CB 1.408 26 residues pruned to eliminate duplicates Z: 28 54.365 2.296 0.974 0.936 0.963 0.704 CB 1.669 29 residues pruned to eliminate duplicates Z: 32 17.349 1.745 0.453 0.582 0.968 0.710 CB 1.173 25 residues pruned to eliminate duplicates Z: 11 18.184 2.142 0.489 0.841 1.000 0.800 CB 1.344 11 residues pruned to eliminate duplicates Z: 16 16.052 1.785 0.317 0.818 1.000 0.667 CA 1.338 Z: 57 32.707 2.010 0.569 0.566 0.946 0.679 CB 1.373 64 residues pruned to eliminate duplicates Z: 16 28.590 2.098 0.712 0.897 1.000 0.867 CA 1.471 16 residues pruned to eliminate duplicates Z: 24 15.117 1.896 0.464 0.411 0.913 0.435 CB 1.364 24 residues pruned to eliminate duplicates Z: 17 32.090 2.114 0.781 0.843 0.938 0.625 CA 1.692 17 residues pruned to eliminate duplicates Z: 29 37.965 2.023 0.880 0.923 1.000 0.821 CB 1.326 29 residues pruned to eliminate duplicates Z: 12 12.665 1.920 0.375 0.853 0.818 0.818 CB 1.306 Z: 8 19.640 2.015 0.683 0.838 1.000 1.000 N 1.636 8 residues pruned to eliminate duplicates Z: 12 23.147 2.100 0.660 0.897 0.909 0.818 CB 1.576 12 residues pruned to eliminate duplicates Z: 24 42.560 2.184 0.996 0.882 1.000 0.739 CB 1.473 23 residues pruned to eliminate duplicates Z: 30 49.680 2.267 0.914 0.924 0.966 0.552 CB 1.546 30 residues pruned to eliminate duplicates Z: 16 31.656 2.202 0.856 0.890 0.800 0.467 CA 1.798 16 residues pruned to eliminate duplicates Z: 11 16.090 2.159 0.250 0.902 0.900 0.900 CB 1.495 11 residues pruned to eliminate duplicates Z: 30 50.212 2.257 0.817 0.945 0.966 0.690 CB 1.630 30 residues pruned to eliminate duplicates Z: 31 44.418 2.146 0.726 0.912 1.000 0.867 CA 1.550 31 residues pruned to eliminate duplicates Z: 12 23.428 2.072 0.709 0.886 1.000 0.909 CB 1.439 12 residues pruned to eliminate duplicates Z: 14 16.400 1.771 0.523 0.875 1.000 0.692 CB 1.227 14 residues pruned to eliminate duplicates Z: 18 18.076 1.934 0.657 0.829 0.882 0.647 CB 1.166 18 residues pruned to eliminate duplicates Z: 23 24.189 2.021 0.179 0.919 1.000 0.909 CB 1.525 23 residues pruned to eliminate duplicates Z: 26 20.784 1.948 0.503 0.639 0.840 0.720 CB 1.484 16 residues pruned to eliminate duplicates Z: 31 43.970 2.197 0.592 0.917 1.000 0.900 CA 1.620 31 residues pruned to eliminate duplicates Z: 13 40.818 2.305 1.240 0.929 0.917 0.917 CA 1.742 13 residues pruned to eliminate duplicates Z: 13 22.871 1.962 0.600 0.865 1.000 0.833 CA 1.540 13 residues pruned to eliminate duplicates Z: 30 38.612 2.184 0.734 0.918 0.862 0.483 CB 1.549 30 residues pruned to eliminate duplicates Z: 13 25.886 2.095 0.623 0.920 1.000 0.667 CB 1.548 13 residues pruned to eliminate duplicates Z: 20 11.535 2.179 0.265 0.347 0.895 0.632 CB 1.266 Z: 14 33.561 2.190 1.144 0.899 1.000 0.846 CB 1.418 14 residues pruned to eliminate duplicates Z: 17 19.476 1.937 0.522 0.821 0.938 0.812 CB 1.333 17 residues pruned to eliminate duplicates Z: 16 35.946 2.194 0.876 0.941 0.933 0.800 CA 1.677 16 residues pruned to eliminate duplicates Z: 13 26.475 1.962 0.746 0.908 1.000 0.917 CA 1.584 12 residues pruned to eliminate duplicates Z: 23 25.490 1.934 1.039 0.866 0.864 0.455 CB 1.168 22 residues pruned to eliminate duplicates Z: 11 17.417 2.265 0.228 0.834 1.000 0.600 CB 1.485 11 residues pruned to eliminate duplicates Z: 18 18.144 1.986 0.232 0.854 0.882 0.706 CB 1.505 18 residues pruned to eliminate duplicates Z: 31 36.036 1.900 0.705 0.905 0.967 0.567 CB 1.496 30 residues pruned to eliminate duplicates Z: 7 9.973 1.955 0.515 0.582 0.833 0.500 CA 1.525 7 residues pruned to eliminate duplicates Z: 7 10.196 2.062 0.338 0.863 1.000 0.833 CA 1.107 7 residues pruned to eliminate duplicates Z: 16 23.576 2.081 0.361 0.922 1.000 1.000 CA 1.511 16 residues pruned to eliminate duplicates Z: 30 56.258 2.236 0.948 0.930 1.000 0.759 CB 1.677 31 residues pruned to eliminate duplicates Z: 22 13.153 1.972 0.398 0.478 0.810 0.714 CB 1.315 22 residues pruned to eliminate duplicates Z: 28 53.777 2.188 1.206 0.945 0.963 0.481 CB 1.542 28 residues pruned to eliminate duplicates Z: 13 22.734 1.917 0.486 0.898 1.000 0.833 CA 1.649 12 residues pruned to eliminate duplicates Z: 29 28.934 1.944 0.322 0.919 1.000 0.821 CB 1.499 29 residues pruned to eliminate duplicates Z: 31 47.361 2.217 0.700 0.914 1.000 0.733 CA 1.623 31 residues pruned to eliminate duplicates Z: 6 4.551 1.815 0.409 0.300 0.800 0.400 CB 1.244 6 residues pruned to eliminate duplicates Z: 10 9.255 2.039 0.306 0.525 0.667 0.556 CA 1.695 5 residues pruned to eliminate duplicates Z: 6 4.247 1.520 0.238 0.655 0.800 0.800 CB 1.093 Z: 15 18.141 2.011 0.569 0.599 0.929 0.571 N 1.507 15 residues pruned to eliminate duplicates Z: 28 36.488 1.976 0.648 0.916 1.000 0.778 CB 1.523 28 residues pruned to eliminate duplicates Z: 12 18.739 2.004 0.595 0.877 1.000 0.909 CB 1.284 12 residues pruned to eliminate duplicates Z: 10 14.945 2.102 0.480 0.844 1.000 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 9 13.137 1.756 0.918 0.563 0.875 0.500 C 1.482 9 residues pruned to eliminate duplicates Z: 11 9.826 1.791 0.121 0.907 1.000 1.000 CB 1.100 10 residues pruned to eliminate duplicates Z: 13 8.113 1.706 0.331 0.460 0.833 0.583 CB 1.290 Z: 19 32.089 2.059 0.823 0.898 0.944 0.667 CA 1.525 19 residues pruned to eliminate duplicates Z: 16 18.644 1.844 0.416 0.880 1.000 0.733 CA 1.336 16 residues pruned to eliminate duplicates Z: 10 19.695 1.869 0.621 0.850 1.000 0.778 C 1.605 10 residues pruned to eliminate duplicates Z: 15 27.091 2.090 0.634 0.870 1.000 0.500 CB 1.547 15 residues pruned to eliminate duplicates Z: 16 21.045 1.958 0.558 0.834 0.933 0.667 CB 1.431 16 residues pruned to eliminate duplicates Z: 24 21.625 1.940 0.355 0.858 0.913 0.870 CB 1.384 24 residues pruned to eliminate duplicates Z: 9 17.190 2.010 0.561 0.864 1.000 0.750 CA 1.420 9 residues pruned to eliminate duplicates Z: 8 11.308 1.964 0.267 0.831 1.000 1.000 CA 1.290 8 residues pruned to eliminate duplicates Z: 44 25.138 2.004 0.564 0.559 0.860 0.674 CB 1.343 37 residues pruned to eliminate duplicates Z: 22 33.074 1.973 1.023 0.903 0.952 0.571 CB 1.353 23 residues pruned to eliminate duplicates Z: 19 17.157 2.220 0.566 0.348 0.889 0.500 CB 1.544 19 residues pruned to eliminate duplicates Z: 12 7.053 1.784 0.402 0.450 0.727 0.455 CB 1.230 12 residues pruned to eliminate duplicates Z: 6 4.214 1.761 0.582 0.433 0.600 0.400 CA 1.209 6 residues pruned to eliminate duplicates Z: 27 35.362 1.999 0.690 0.906 0.962 0.769 CB 1.518 27 residues pruned to eliminate duplicates Z: 23 20.584 1.811 0.539 0.884 0.955 0.636 CB 1.192 Z: 12 6.571 1.919 0.479 0.442 0.727 0.636 CB 1.019 Z: 16 26.093 2.148 0.434 0.877 1.000 0.933 CA 1.587 16 residues pruned to eliminate duplicates Z: 14 20.741 1.947 0.514 0.888 0.846 0.692 CA 1.662 14 residues pruned to eliminate duplicates Z: 12 20.124 1.904 0.539 0.821 1.000 0.545 CA 1.568 14 residues pruned to eliminate duplicates Z: 12 20.158 2.149 0.675 0.823 0.909 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 8 11.179 1.866 0.354 0.862 1.000 0.857 CA 1.228 8 residues pruned to eliminate duplicates Z: 15 29.512 2.132 0.616 0.913 1.000 0.786 CA 1.620 15 residues pruned to eliminate duplicates Z: 12 16.132 1.881 0.390 0.773 1.000 0.636 CB 1.461 12 residues pruned to eliminate duplicates Z: 31 48.100 2.222 0.693 0.935 1.000 0.933 CA 1.626 31 residues pruned to eliminate duplicates Z: 12 25.561 2.083 0.727 0.885 1.000 0.818 CA 1.547 12 residues pruned to eliminate duplicates Z: 17 19.119 1.884 0.535 0.805 0.875 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 12 19.635 2.046 0.644 0.834 1.000 0.727 CA 1.319 12 residues pruned to eliminate duplicates Z: 13 14.173 1.862 0.333 0.874 1.000 0.833 CB 1.200 13 residues pruned to eliminate duplicates Z: 16 17.067 1.926 0.307 0.772 0.933 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 8 16.662 1.938 0.669 0.836 1.000 0.857 CA 1.458 8 residues pruned to eliminate duplicates Z: 31 48.223 2.208 0.769 0.923 0.967 0.467 CB 1.640 30 residues pruned to eliminate duplicates Z: 27 29.894 1.991 0.401 0.883 1.000 0.731 CB 1.520 27 residues pruned to eliminate duplicates Z: 10 12.202 1.832 0.532 0.788 1.000 0.667 CB 1.126 10 residues pruned to eliminate duplicates Z: 12 16.570 1.864 0.743 0.906 0.909 0.727 CB 1.203 Z: 13 26.449 1.976 0.894 0.908 0.917 0.750 CA 1.580 13 residues pruned to eliminate duplicates Z: 14 24.036 1.882 0.744 0.892 1.000 0.923 CB 1.459 14 residues pruned to eliminate duplicates Z: 32 42.029 2.085 0.815 0.866 0.968 0.710 CB 1.509 32 residues pruned to eliminate duplicates Z: 13 23.808 2.299 0.560 0.853 0.917 0.750 CA 1.544 12 residues pruned to eliminate duplicates Z: 6 4.009 2.040 -0.015 0.698 0.800 0.600 CB 0.931 6 residues pruned to eliminate duplicates Z: 13 19.469 1.918 0.827 0.782 0.917 0.667 CB 1.364 13 residues pruned to eliminate duplicates Z: 31 45.467 2.199 0.834 0.905 0.967 0.567 CB 1.515 31 residues pruned to eliminate duplicates Z: 8 15.053 1.896 0.547 0.886 1.000 1.000 CA 1.398 8 residues pruned to eliminate duplicates Z: 6 10.057 1.626 0.692 0.759 1.000 0.800 CA 1.298 6 residues pruned to eliminate duplicates Z: 6 18.475 2.187 0.896 0.736 1.000 0.800 CA 1.613 6 residues pruned to eliminate duplicates Z: 8 26.536 2.301 0.799 0.907 1.000 1.000 CB 1.721 8 residues pruned to eliminate duplicates Z: 41 34.232 2.040 0.826 0.709 0.925 0.525 CB 1.300 25 residues pruned to eliminate duplicates Z: 27 19.405 1.907 0.389 0.543 0.923 0.615 CB 1.493 27 residues pruned to eliminate duplicates Z: 15 10.397 1.936 0.456 0.534 0.857 0.429 CB 1.112 15 residues pruned to eliminate duplicates Z: 14 19.233 2.043 0.390 0.901 0.923 0.846 CB 1.452 14 residues pruned to eliminate duplicates Z: 27 36.890 1.995 0.649 0.908 1.000 0.731 CB 1.562 27 residues pruned to eliminate duplicates Z: 7 10.716 1.765 0.588 0.826 1.000 0.667 CB 1.178 7 residues pruned to eliminate duplicates Z: 14 25.212 2.043 0.608 0.933 0.923 0.769 CB 1.609 Z: 12 23.765 2.120 0.630 0.869 1.000 0.727 CA 1.515 12 residues pruned to eliminate duplicates Z: 8 16.418 1.900 1.162 0.865 0.857 0.857 CA 1.291 8 residues pruned to eliminate duplicates Z: 24 24.750 1.784 0.646 0.893 1.000 0.739 CB 1.261 23 residues pruned to eliminate duplicates Z: 13 8.408 1.548 0.705 0.417 0.833 0.417 CB 1.203 Z: 29 39.855 2.011 0.844 0.885 1.000 0.714 CB 1.466 29 residues pruned to eliminate duplicates Z: 41 35.123 2.059 0.840 0.712 0.900 0.525 CB 1.344 40 residues pruned to eliminate duplicates Z: 17 13.893 2.163 0.446 0.433 0.812 0.562 CB 1.464 13 residues pruned to eliminate duplicates Z: 13 14.818 1.882 0.441 0.807 0.833 0.583 CB 1.448 13 residues pruned to eliminate duplicates Z: 11 13.347 1.937 0.394 0.913 0.900 0.700 CB 1.229 11 residues pruned to eliminate duplicates Z: 30 55.199 2.170 1.110 0.910 1.000 0.690 CB 1.587 30 residues pruned to eliminate duplicates Z: 29 38.251 2.148 0.727 0.899 0.893 0.786 CB 1.560 29 residues pruned to eliminate duplicates Z: 18 23.700 2.104 0.456 0.942 0.941 0.824 CB 1.382 18 residues pruned to eliminate duplicates Z: 17 25.813 1.969 0.757 0.905 0.938 0.750 CB 1.416 17 residues pruned to eliminate duplicates Z: 19 26.707 1.989 0.909 0.898 0.944 0.778 CB 1.256 19 residues pruned to eliminate duplicates Z: 15 33.034 2.157 0.632 0.916 1.000 1.000 CA 1.770 15 residues pruned to eliminate duplicates Z: 12 12.712 1.849 0.375 0.907 0.909 0.636 CB 1.179 12 residues pruned to eliminate duplicates Z: 30 29.142 1.869 0.608 0.872 0.966 0.724 CB 1.359 30 residues pruned to eliminate duplicates Z: 8 10.598 1.834 0.604 0.810 0.857 0.714 CB 1.212 Z: 16 24.542 2.057 0.568 0.851 0.867 0.867 CB 1.679 17 residues pruned to eliminate duplicates Z: 31 47.522 2.180 0.861 0.906 1.000 0.400 CB 1.521 31 residues pruned to eliminate duplicates Z: 14 18.120 1.838 0.662 0.922 1.000 0.846 CB 1.157 14 residues pruned to eliminate duplicates Z: 42 27.486 2.062 0.575 0.634 0.902 0.634 CB 1.292 32 residues pruned to eliminate duplicates Z: 23 20.815 1.809 0.468 0.821 1.000 0.773 CB 1.265 23 residues pruned to eliminate duplicates Z: 12 19.985 2.114 0.501 0.920 1.000 0.818 CA 1.337 12 residues pruned to eliminate duplicates Z: 8 17.782 1.929 0.582 0.879 1.000 0.429 CA 1.597 8 residues pruned to eliminate duplicates Z: 7 6.639 2.025 0.155 0.572 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 16 25.544 1.908 0.581 0.901 1.000 0.467 CB 1.561 16 residues pruned to eliminate duplicates Z: 7 7.282 2.054 0.174 0.685 0.667 0.500 CB 1.561 7 residues pruned to eliminate duplicates Z: 23 26.416 2.119 0.449 0.851 0.909 0.818 CB 1.493 23 residues pruned to eliminate duplicates Z: 22 23.026 2.011 0.214 0.914 0.952 0.905 CB 1.528 22 residues pruned to eliminate duplicates Z: 6 10.502 2.262 0.349 0.658 1.000 0.600 CB 1.328 6 residues pruned to eliminate duplicates Z: 16 29.395 2.145 0.596 0.854 1.000 0.933 CA 1.636 16 residues pruned to eliminate duplicates Z: 9 13.360 2.021 0.395 0.886 1.000 0.875 CA 1.210 9 residues pruned to eliminate duplicates Z: 12 19.850 1.935 0.677 0.850 1.000 0.818 CB 1.366 12 residues pruned to eliminate duplicates Z: 28 45.702 2.268 0.705 0.941 0.963 0.630 CB 1.639 28 residues pruned to eliminate duplicates Z: 22 27.453 2.096 0.427 0.893 0.905 0.810 CB 1.589 22 residues pruned to eliminate duplicates Z: 49 22.793 2.079 0.586 0.408 0.875 0.521 CB 1.255 37 residues pruned to eliminate duplicates Z: 47 43.323 2.154 0.821 0.664 0.957 0.674 CA 1.463 48 residues pruned to eliminate duplicates Z: 11 5.299 1.596 0.688 0.320 0.700 0.400 CB 1.083 11 residues pruned to eliminate duplicates Z: 23 21.663 1.746 0.492 0.928 1.000 0.864 CB 1.242 23 residues pruned to eliminate duplicates Z: 15 24.119 2.162 0.554 0.872 0.929 0.857 CA 1.506 15 residues pruned to eliminate duplicates Z: 23 34.834 2.282 1.008 0.657 0.818 0.455 CB 1.712 23 residues pruned to eliminate duplicates Z: 15 31.963 2.276 0.569 0.930 0.929 0.786 CA 1.802 15 residues pruned to eliminate duplicates Z: 29 35.481 1.993 0.730 0.897 0.964 0.607 CB 1.443 29 residues pruned to eliminate duplicates Z: 53 56.854 2.271 0.758 0.804 0.942 0.846 CB 1.607 53 residues pruned to eliminate duplicates Z: 15 23.816 2.265 0.297 0.915 0.857 0.857 CA 1.787 15 residues pruned to eliminate duplicates Z: 18 20.589 1.778 0.409 0.884 1.000 0.941 CA 1.441 18 residues pruned to eliminate duplicates Z: 19 15.987 1.821 0.182 0.928 1.000 0.944 CB 1.226 19 residues pruned to eliminate duplicates Z: 7 16.890 2.058 0.746 0.863 1.000 0.833 CB 1.407 7 residues pruned to eliminate duplicates Z: 15 34.957 2.261 0.625 0.936 1.000 0.929 CA 1.771 15 residues pruned to eliminate duplicates Z: 50 21.755 2.104 0.447 0.476 0.857 0.449 CB 1.220 50 residues pruned to eliminate duplicates Z: 11 16.542 2.085 0.302 0.862 1.000 0.700 CB 1.415 12 residues pruned to eliminate duplicates Z: 13 9.306 1.791 0.334 0.568 0.833 0.667 CB 1.263 Z: 14 16.740 1.963 0.407 0.868 0.846 0.846 CB 1.453 14 residues pruned to eliminate duplicates Z: 41 22.782 2.028 0.485 0.390 0.900 0.400 CB 1.493 39 residues pruned to eliminate duplicates Z: 16 29.174 1.997 0.746 0.910 1.000 0.733 CB 1.532 14 residues pruned to eliminate duplicates Z: 8 25.754 2.322 0.855 0.892 1.000 1.000 CB 1.624 14 residues pruned to eliminate duplicates Z: 23 20.234 1.789 0.500 0.903 0.955 0.773 CB 1.200 23 residues pruned to eliminate duplicates Z: 8 8.679 1.951 0.220 0.811 0.714 0.429 CB 1.471 8 residues pruned to eliminate duplicates Z: 6 2.533 1.392 0.259 0.320 0.800 0.400 CB 0.986 Z: 16 25.344 2.056 0.449 0.873 1.000 0.800 CA 1.600 16 residues pruned to eliminate duplicates Z: 11 11.944 1.789 0.536 0.664 0.800 0.500 O 1.476 11 residues pruned to eliminate duplicates Z: 14 21.246 1.968 0.369 0.907 1.000 0.769 CB 1.555 13 residues pruned to eliminate duplicates Z: 13 25.081 1.914 0.636 0.902 1.000 1.000 CA 1.649 13 residues pruned to eliminate duplicates Z: 10 6.400 1.942 0.229 0.547 0.889 0.667 CB 0.961 10 residues pruned to eliminate duplicates Z: 6 7.022 1.663 0.524 0.815 0.800 0.600 CB 1.178 6 residues pruned to eliminate duplicates Z: 18 21.824 1.979 0.231 0.880 1.000 0.824 CB 1.574 18 residues pruned to eliminate duplicates Z: 10 18.648 1.901 0.588 0.853 1.000 0.889 CB 1.521 10 residues pruned to eliminate duplicates Z: 8 7.872 1.731 0.970 0.471 0.857 0.571 CB 1.048 8 residues pruned to eliminate duplicates Z: 17 24.105 1.935 0.443 0.887 1.000 0.688 CA 1.556 18 residues pruned to eliminate duplicates Z: 13 17.163 1.866 0.566 0.886 1.000 0.750 CB 1.223 13 residues pruned to eliminate duplicates Z: 29 38.403 2.215 0.477 0.932 1.000 0.893 CB 1.549 29 residues pruned to eliminate duplicates Z: 17 19.352 1.760 0.440 0.894 1.000 0.875 CB 1.369 17 residues pruned to eliminate duplicates Z: 12 18.532 2.071 0.509 0.784 1.000 0.727 CB 1.392 17 residues pruned to eliminate duplicates Z: 8 7.136 1.720 0.152 0.704 0.857 0.857 O 1.318 8 residues pruned to eliminate duplicates Z: 13 14.546 1.697 0.621 0.771 1.000 0.500 CB 1.200 11 residues pruned to eliminate duplicates Z: 10 14.147 1.938 0.466 0.768 0.889 0.778 O 1.473 10 residues pruned to eliminate duplicates Z: 17 25.481 1.898 0.625 0.930 1.000 0.875 CA 1.443 17 residues pruned to eliminate duplicates Z: 28 20.884 2.175 0.448 0.513 0.926 0.519 CB 1.361 28 residues pruned to eliminate duplicates Z: 13 28.880 2.378 0.599 0.896 1.000 0.917 CA 1.570 13 residues pruned to eliminate duplicates Z: 18 12.626 2.085 0.480 0.516 0.882 0.588 CB 1.107 18 residues pruned to eliminate duplicates Z: 31 21.300 1.967 0.471 0.621 0.933 0.667 CB 1.285 23 residues pruned to eliminate duplicates Z: 11 11.452 1.911 0.155 0.845 1.000 0.700 CB 1.220 11 residues pruned to eliminate duplicates Z: 30 43.448 2.181 0.709 0.896 0.931 0.793 CB 1.665 30 residues pruned to eliminate duplicates Z: 63 58.085 2.253 0.710 0.749 0.935 0.677 CB 1.639 64 residues pruned to eliminate duplicates Z: 25 31.398 2.005 0.811 0.909 0.958 0.667 CB 1.307 25 residues pruned to eliminate duplicates Z: 15 8.020 1.726 0.583 0.374 0.714 0.571 CB 1.256 15 residues pruned to eliminate duplicates Z: 8 13.287 1.740 0.492 0.836 1.000 1.000 CA 1.448 Z: 10 19.878 2.167 0.435 0.844 1.000 0.778 CB 1.585 11 residues pruned to eliminate duplicates Z: 48 31.808 2.014 0.759 0.641 0.830 0.468 CB 1.383 49 residues pruned to eliminate duplicates Z: 8 15.634 2.031 0.830 0.566 1.000 0.571 CB 1.492 8 residues pruned to eliminate duplicates Z: 12 2.680 1.544 0.354 0.307 0.727 0.455 CB 0.658 Z: 14 6.558 1.854 0.556 0.405 0.846 0.462 CB 0.824 10 residues pruned to eliminate duplicates Z: 13 22.020 1.911 0.627 0.889 1.000 0.833 CB 1.471 13 residues pruned to eliminate duplicates Z: 14 22.549 2.050 0.536 0.852 0.923 0.769 CB 1.590 14 residues pruned to eliminate duplicates Z: 24 29.530 2.023 0.566 0.926 0.957 0.739 CB 1.425 24 residues pruned to eliminate duplicates Z: 23 12.681 1.920 0.652 0.427 0.773 0.591 CB 1.190 23 residues pruned to eliminate duplicates Z: 17 10.698 1.672 0.420 0.881 0.875 0.438 CB 0.932 Z: 16 19.199 1.895 0.521 0.900 0.933 0.800 CB 1.317 16 residues pruned to eliminate duplicates Z: 11 14.017 2.010 0.713 0.815 0.800 0.600 CB 1.224 Z: 8 9.625 2.158 0.207 0.657 0.857 0.714 CB 1.409 11 residues pruned to eliminate duplicates Z: 49 27.448 2.046 0.539 0.504 0.917 0.625 CB 1.367 49 residues pruned to eliminate duplicates Z: 19 40.704 2.143 0.981 0.905 1.000 0.667 CB 1.609 19 residues pruned to eliminate duplicates Z: 28 28.611 1.975 0.313 0.907 1.000 0.815 CB 1.509 28 residues pruned to eliminate duplicates Z: 9 15.795 2.184 0.664 0.504 0.875 0.750 CA 1.748 9 residues pruned to eliminate duplicates Z: 9 20.169 2.110 0.671 0.817 0.875 0.625 CA 1.755 9 residues pruned to eliminate duplicates Z: 10 20.039 1.849 0.717 0.828 1.000 0.556 CA 1.584 10 residues pruned to eliminate duplicates Z: 13 6.921 1.838 0.348 0.365 0.833 0.500 CB 1.119 14 residues pruned to eliminate duplicates Z: 14 9.519 1.936 0.458 0.307 0.846 0.385 CA 1.369 14 residues pruned to eliminate duplicates Z: 25 27.654 2.012 0.279 0.905 1.000 0.833 CB 1.561 25 residues pruned to eliminate duplicates Z: 23 9.538 1.644 0.491 0.285 0.909 0.455 CB 1.162 23 residues pruned to eliminate duplicates Z: 9 8.350 1.708 0.666 0.704 0.875 0.500 CB 0.984 9 residues pruned to eliminate duplicates Z: 18 22.521 1.931 0.441 0.854 1.000 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 14 18.986 1.844 0.794 0.885 0.923 0.846 CB 1.246 14 residues pruned to eliminate duplicates Z: 11 17.282 2.089 0.468 0.876 0.900 0.800 CB 1.440 11 residues pruned to eliminate duplicates Z: 15 24.309 1.871 1.072 0.924 0.929 0.714 CB 1.267 15 residues pruned to eliminate duplicates Z: 24 21.441 2.172 0.788 0.481 0.826 0.565 CB 1.420 24 residues pruned to eliminate duplicates Z: 11 4.379 1.705 -0.059 0.417 0.900 0.400 CB 1.046 Z: 12 29.634 2.082 0.902 0.917 1.000 1.000 CA 1.593 13 residues pruned to eliminate duplicates Z: 11 14.059 1.930 0.520 0.915 0.900 0.600 CB 1.190 11 residues pruned to eliminate duplicates Z: 18 15.190 1.915 0.522 0.539 0.882 0.529 CB 1.379 19 residues pruned to eliminate duplicates Z: 24 15.451 2.074 0.420 0.467 0.826 0.609 CB 1.371 24 residues pruned to eliminate duplicates Z: 15 14.767 1.837 0.338 0.804 0.929 0.643 CB 1.327 15 residues pruned to eliminate duplicates Z: 16 24.228 1.946 0.618 0.902 0.933 0.600 CB 1.518 16 residues pruned to eliminate duplicates Z: 24 33.257 1.997 1.056 0.857 0.870 0.435 CB 1.430 24 residues pruned to eliminate duplicates Z: 13 5.360 1.478 0.450 0.474 0.750 0.250 CB 0.989 Z: 22 40.281 2.136 0.891 0.918 1.000 0.810 CB 1.535 23 residues pruned to eliminate duplicates Z: 8 23.148 2.251 0.849 0.881 1.000 0.571 CB 1.522 8 residues pruned to eliminate duplicates Z: 23 30.623 2.059 0.699 0.869 0.909 0.727 CB 1.500 23 residues pruned to eliminate duplicates Z: 8 11.559 1.912 0.496 0.699 0.857 0.571 CB 1.486 8 residues pruned to eliminate duplicates Z: 11 14.685 2.058 0.428 0.888 0.900 0.900 CB 1.264 11 residues pruned to eliminate duplicates Z: 13 25.783 1.955 0.855 0.865 1.000 0.583 CB 1.503 12 residues pruned to eliminate duplicates Z: 18 14.872 2.103 0.649 0.474 0.882 0.529 CB 1.210 17 residues pruned to eliminate duplicates Z: 28 24.475 1.972 0.628 0.611 0.963 0.667 CB 1.372 29 residues pruned to eliminate duplicates Z: 6 10.072 1.829 0.281 0.850 1.000 0.800 CA 1.424 6 residues pruned to eliminate duplicates Z: 16 15.101 1.686 0.402 0.870 1.000 0.800 CB 1.203 16 residues pruned to eliminate duplicates Z: 21 27.717 2.104 0.660 0.887 0.900 0.750 CB 1.422 21 residues pruned to eliminate duplicates Z: 10 7.104 1.930 0.427 0.462 0.778 0.556 CB 1.149 13 residues pruned to eliminate duplicates Z: 37 23.846 1.974 0.385 0.618 0.917 0.639 CB 1.419 36 residues pruned to eliminate duplicates Z: 15 32.549 2.221 0.749 0.926 0.929 0.929 CA 1.691 15 residues pruned to eliminate duplicates Z: 12 19.480 1.985 0.462 0.836 1.000 0.909 CB 1.515 12 residues pruned to eliminate duplicates Z: 10 11.457 1.783 0.303 0.880 1.000 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 14 18.684 2.077 0.494 0.878 0.923 0.615 CB 1.313 14 residues pruned to eliminate duplicates Z: 31 53.135 2.231 0.905 0.917 1.000 0.767 CB 1.610 31 residues pruned to eliminate duplicates Z: 15 20.180 1.829 0.428 0.896 1.000 1.000 CB 1.479 15 residues pruned to eliminate duplicates Z: 64 31.287 1.979 0.530 0.602 0.952 0.651 CB 1.240 64 residues pruned to eliminate duplicates Z: 10 19.932 2.281 0.442 0.881 1.000 0.889 CB 1.462 10 residues pruned to eliminate duplicates Z: 13 22.071 2.059 0.696 0.878 0.917 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 10 11.848 1.754 0.656 0.675 0.889 0.444 CB 1.303 10 residues pruned to eliminate duplicates Z: 40 50.309 2.237 0.961 0.709 0.949 0.821 CA 1.601 40 residues pruned to eliminate duplicates Z: 24 19.663 2.114 0.675 0.573 0.870 0.739 CB 1.241 24 residues pruned to eliminate duplicates Z: 14 22.069 1.848 0.431 0.932 1.000 0.923 N 1.616 14 residues pruned to eliminate duplicates Z: 9 11.385 1.768 0.505 0.775 0.875 0.625 CB 1.356 9 residues pruned to eliminate duplicates Z: 28 36.478 2.009 0.777 0.919 1.000 0.667 CB 1.385 28 residues pruned to eliminate duplicates Z: 14 18.025 1.920 0.480 0.838 0.923 0.615 CB 1.424 14 residues pruned to eliminate duplicates Z: 30 27.372 1.935 0.281 0.899 0.966 0.828 CA 1.518 30 residues pruned to eliminate duplicates Z: 8 9.469 1.903 0.025 0.700 1.000 0.571 CA 1.529 8 residues pruned to eliminate duplicates Z: 13 13.057 1.774 0.557 0.852 0.833 0.583 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 15.126 1.784 0.606 0.852 0.917 0.500 CB 1.229 Z: 13 7.287 1.867 0.310 0.325 0.750 0.583 CB 1.391 13 residues pruned to eliminate duplicates Z: 30 31.103 1.917 0.365 0.896 1.000 0.759 CA 1.582 31 residues pruned to eliminate duplicates Z: 13 18.857 1.813 0.361 0.932 1.000 1.000 N 1.541 13 residues pruned to eliminate duplicates Z: 6 7.905 1.771 1.222 0.441 1.000 0.600 CB 0.955 Z: 66 28.943 2.080 0.523 0.445 0.862 0.477 CB 1.391 66 residues pruned to eliminate duplicates Z: 28 24.560 1.957 1.022 0.485 0.852 0.519 CB 1.423 28 residues pruned to eliminate duplicates Z: 10 7.740 1.981 -0.134 0.831 1.000 0.778 CB 1.130 10 residues pruned to eliminate duplicates Z: 11 11.907 2.019 0.133 0.840 0.900 0.800 CB 1.365 11 residues pruned to eliminate duplicates Z: 20 14.312 1.890 0.288 0.663 0.895 0.632 CB 1.296 20 residues pruned to eliminate duplicates Z: 9 15.832 2.019 0.276 0.846 1.000 0.750 CB 1.614 9 residues pruned to eliminate duplicates Z: 25 24.264 2.005 0.295 0.922 0.958 0.875 CB 1.400 25 residues pruned to eliminate duplicates Z: 29 40.427 2.037 0.921 0.926 0.964 0.679 CB 1.420 28 residues pruned to eliminate duplicates Z: 13 10.888 1.871 0.325 0.481 1.000 0.500 CB 1.293 13 residues pruned to eliminate duplicates Z: 24 20.157 1.751 0.366 0.928 0.957 0.783 CB 1.287 24 residues pruned to eliminate duplicates Z: 16 21.278 1.957 0.528 0.871 0.933 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 16 18.061 1.807 0.696 0.877 0.933 0.867 CB 1.184 16 residues pruned to eliminate duplicates Z: 9 10.003 1.942 0.307 0.528 0.875 0.625 CB 1.549 6 residues pruned to eliminate duplicates Z: 27 16.893 2.053 0.493 0.427 0.846 0.500 CB 1.378 27 residues pruned to eliminate duplicates Z: 12 24.318 2.032 0.655 0.880 1.000 0.818 CB 1.579 12 residues pruned to eliminate duplicates Z: 13 29.984 1.997 0.924 0.909 1.000 0.833 CA 1.599 12 residues pruned to eliminate duplicates Z: 8 9.022 2.087 0.463 0.591 0.857 0.714 CB 1.194 8 residues pruned to eliminate duplicates Z: 22 20.988 2.210 0.513 0.507 0.857 0.476 CB 1.586 22 residues pruned to eliminate duplicates Z: 10 8.782 1.820 0.651 0.536 0.778 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 20 14.862 1.871 0.387 0.668 0.895 0.579 CB 1.257 20 residues pruned to eliminate duplicates Z: 12 21.170 2.005 0.581 0.915 1.000 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 8 7.172 1.573 0.491 0.416 1.000 0.714 CB 1.262 8 residues pruned to eliminate duplicates Z: 9 16.738 2.168 0.252 0.842 1.000 0.750 CA 1.624 9 residues pruned to eliminate duplicates Z: 26 17.751 2.191 0.281 0.423 0.840 0.440 CA 1.632 26 residues pruned to eliminate duplicates Z: 10 11.735 1.989 0.242 0.878 0.889 0.667 CB 1.292 10 residues pruned to eliminate duplicates Z: 12 8.051 1.733 0.322 0.497 0.818 0.545 CB 1.298 Z: 15 27.236 1.973 0.625 0.913 1.000 0.714 CB 1.607 15 residues pruned to eliminate duplicates Z: 9 13.651 1.840 0.271 0.839 1.000 0.750 CA 1.541 9 residues pruned to eliminate duplicates Z: 9 4.336 1.721 0.195 0.325 0.750 0.500 CB 1.204 8 residues pruned to eliminate duplicates Z: 27 26.983 1.937 0.913 0.804 0.808 0.423 CB 1.357 30 residues pruned to eliminate duplicates Z: 13 18.583 1.981 0.401 0.843 1.000 0.833 CA 1.440 13 residues pruned to eliminate duplicates Z: 17 25.035 2.108 0.503 0.857 0.938 0.750 CA 1.553 17 residues pruned to eliminate duplicates Z: 25 20.425 1.872 0.598 0.593 0.958 0.583 CB 1.331 25 residues pruned to eliminate duplicates Z: 17 15.257 2.127 0.472 0.487 0.875 0.312 CB 1.411 17 residues pruned to eliminate duplicates Z: 16 25.332 2.007 0.956 0.837 0.933 0.467 CB 1.335 16 residues pruned to eliminate duplicates Z: 28 28.396 1.905 0.522 0.904 0.926 0.815 CA 1.450 28 residues pruned to eliminate duplicates Z: 17 20.470 2.300 0.672 0.358 0.938 0.500 CB 1.653 17 residues pruned to eliminate duplicates Z: 11 7.935 1.765 0.496 0.425 0.800 0.500 CA 1.284 11 residues pruned to eliminate duplicates Z: 16 19.242 1.881 0.434 0.874 1.000 0.933 CA 1.341 15 residues pruned to eliminate duplicates Z: 14 26.089 2.028 0.915 0.900 0.846 0.538 CA 1.572 14 residues pruned to eliminate duplicates Z: 12 8.804 1.922 0.371 0.448 0.818 0.455 CB 1.298 10 residues pruned to eliminate duplicates Z: 11 17.433 1.833 0.766 0.911 1.000 0.900 CB 1.207 10 residues pruned to eliminate duplicates Z: 9 16.120 1.982 0.544 0.875 1.000 0.625 CA 1.355 9 residues pruned to eliminate duplicates Z: 16 28.217 2.119 0.584 0.881 1.000 0.800 CA 1.572 16 residues pruned to eliminate duplicates Z: 15 14.906 1.788 0.422 0.833 0.929 0.857 CB 1.266 15 residues pruned to eliminate duplicates Z: 11 15.117 1.916 0.516 0.915 1.000 0.900 CB 1.163 11 residues pruned to eliminate duplicates Z: 10 12.173 1.682 0.518 0.744 1.000 0.444 CB 1.277 Z: 14 19.141 1.865 0.627 0.823 0.923 0.462 CB 1.433 14 residues pruned to eliminate duplicates Z: 13 25.506 1.988 0.744 0.899 1.000 0.917 CA 1.518 13 residues pruned to eliminate duplicates Z: 17 20.474 2.021 0.279 0.846 1.000 0.812 CB 1.471 17 residues pruned to eliminate duplicates Z: 27 30.890 2.010 0.422 0.921 1.000 0.731 CB 1.491 27 residues pruned to eliminate duplicates Z: 16 13.025 1.893 0.409 0.667 0.733 0.600 CB 1.474 17 residues pruned to eliminate duplicates Z: 16 17.971 1.952 0.368 0.844 0.933 0.667 CB 1.385 16 residues pruned to eliminate duplicates Z: 12 21.061 2.058 0.611 0.877 1.000 0.909 CB 1.392 12 residues pruned to eliminate duplicates Z: 26 21.429 2.059 0.764 0.532 0.920 0.480 CB 1.243 26 residues pruned to eliminate duplicates Z: 15 22.731 2.012 0.926 0.791 0.929 0.714 CB 1.307 15 residues pruned to eliminate duplicates Z: 17 23.460 1.963 0.410 0.897 1.000 0.875 CA 1.517 17 residues pruned to eliminate duplicates Z: 7 10.299 1.967 0.447 0.629 0.833 0.833 CB 1.570 7 residues pruned to eliminate duplicates Z: 6 9.866 1.955 0.907 0.730 0.800 0.600 CB 1.203 6 residues pruned to eliminate duplicates Z: 16 17.932 2.112 0.305 0.824 0.933 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 43 23.324 2.110 0.470 0.429 0.833 0.452 CB 1.499 43 residues pruned to eliminate duplicates Z: 64 31.568 1.995 0.518 0.561 0.921 0.587 CB 1.344 63 residues pruned to eliminate duplicates Z: 9 12.396 1.928 0.321 0.805 1.000 0.750 CB 1.319 9 residues pruned to eliminate duplicates Z: 6 4.747 1.893 0.005 0.742 0.800 0.400 CB 1.123 6 residues pruned to eliminate duplicates Z: 37 22.157 2.130 0.503 0.514 0.917 0.639 CB 1.242 37 residues pruned to eliminate duplicates Z: 10 12.020 1.680 0.388 0.866 1.000 0.667 CB 1.257 5 residues pruned to eliminate duplicates Z: 16 20.704 1.960 0.634 0.858 0.867 0.667 CB 1.417 16 residues pruned to eliminate duplicates Z: 7 5.295 1.794 0.160 0.513 0.833 0.667 CA 1.231 7 residues pruned to eliminate duplicates Z: 14 16.668 1.863 0.558 0.871 1.000 0.923 CB 1.162 14 residues pruned to eliminate duplicates Z: 6 6.520 1.757 0.215 0.529 1.000 0.600 O 1.327 Z: 16 15.532 1.684 0.552 0.872 0.933 0.667 CB 1.198 16 residues pruned to eliminate duplicates Z: 15 26.493 2.166 0.711 0.850 0.929 0.786 CA 1.525 15 residues pruned to eliminate duplicates Z: 10 16.706 1.934 0.623 0.795 1.000 0.667 CA 1.370 10 residues pruned to eliminate duplicates Z: 8 10.789 1.985 0.395 0.565 0.857 0.571 CB 1.614 Z: 42 25.282 2.125 0.606 0.472 0.854 0.537 CB 1.395 36 residues pruned to eliminate duplicates Z: 15 20.112 1.980 0.634 0.858 0.857 0.643 CB 1.428 15 residues pruned to eliminate duplicates Z: 19 10.596 1.888 0.299 0.526 0.833 0.333 CB 1.191 19 residues pruned to eliminate duplicates Z: 84 46.454 2.133 0.754 0.504 0.892 0.542 CB 1.523 85 residues pruned to eliminate duplicates Z: 22 13.541 2.046 0.480 0.359 0.810 0.381 CB 1.403 22 residues pruned to eliminate duplicates Z: 28 32.790 1.985 0.568 0.905 0.963 0.741 CB 1.499 28 residues pruned to eliminate duplicates Z: 31 44.553 2.209 0.596 0.937 1.000 0.933 CA 1.605 31 residues pruned to eliminate duplicates Z: 17 17.475 1.879 0.380 0.826 0.938 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 30 48.831 2.140 1.037 0.921 1.000 0.621 CB 1.464 30 residues pruned to eliminate duplicates Z: 15 21.474 1.945 0.366 0.882 1.000 0.857 CB 1.563 15 residues pruned to eliminate duplicates Z: 26 16.596 2.018 0.559 0.455 0.840 0.560 CB 1.314 26 residues pruned to eliminate duplicates Z: 13 17.660 1.930 0.499 0.857 1.000 0.500 CA 1.299 13 residues pruned to eliminate duplicates Z: 46 21.877 2.010 0.652 0.451 0.844 0.533 CB 1.223 59 residues pruned to eliminate duplicates Z: 7 8.657 1.894 0.661 0.821 0.833 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 10 15.958 2.123 0.538 0.490 0.889 0.889 CB 1.851 10 residues pruned to eliminate duplicates Z: 11 9.745 1.902 0.621 0.398 0.800 0.600 CB 1.390 9 residues pruned to eliminate duplicates Z: 29 37.821 2.025 0.875 0.917 0.964 0.643 CB 1.378 29 residues pruned to eliminate duplicates Z: 13 15.435 2.026 0.279 0.840 0.833 0.833 CB 1.540 13 residues pruned to eliminate duplicates Z: 11 13.286 2.002 0.478 0.844 0.900 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 6 2.328 1.414 0.558 0.299 0.600 0.600 C 0.985 Z: 27 42.666 2.084 1.057 0.942 0.962 0.885 CB 1.408 28 residues pruned to eliminate duplicates Z: 17 18.379 1.802 0.458 0.889 0.938 0.688 CB 1.343 17 residues pruned to eliminate duplicates Z: 8 8.367 1.995 0.310 0.712 1.000 1.000 CB 0.999 8 residues pruned to eliminate duplicates Z: 13 3.725 1.661 0.390 0.290 0.833 0.333 CB 0.707 Z: 17 21.817 1.804 0.586 0.894 0.938 0.562 CB 1.459 17 residues pruned to eliminate duplicates Z: 22 15.402 1.689 0.642 0.477 0.905 0.571 CB 1.372 35 residues pruned to eliminate duplicates Z: 12 17.839 1.839 0.764 0.898 1.000 0.818 CB 1.186 12 residues pruned to eliminate duplicates Z: 6 8.999 1.820 0.804 0.759 0.800 0.800 CA 1.217 6 residues pruned to eliminate duplicates Z: 9 12.164 1.837 0.209 0.909 1.000 0.875 O 1.374 9 residues pruned to eliminate duplicates 6 1.542 1.639 0.576 0.399 0.600 0.400 CB 0.495 ? Z: 17 19.696 1.822 0.550 0.879 1.000 0.750 CB 1.265 17 residues pruned to eliminate duplicates Z: 7 11.450 1.851 0.493 0.868 0.833 0.833 CB 1.483 7 residues pruned to eliminate duplicates Z: 12 19.977 1.945 0.903 0.945 1.000 0.636 CB 1.126 12 residues pruned to eliminate duplicates Z: 27 23.259 1.988 0.583 0.607 0.962 0.846 CB 1.362 27 residues pruned to eliminate duplicates Z: 15 29.533 2.123 0.693 0.894 1.000 0.714 CB 1.576 16 residues pruned to eliminate duplicates Z: 14 5.434 1.705 0.316 0.266 0.692 0.308 CB 1.267 14 residues pruned to eliminate duplicates Z: 12 10.014 1.745 0.371 0.508 1.000 0.727 CB 1.252 Z: 7 12.382 2.057 0.357 0.664 1.000 0.667 CB 1.556 7 residues pruned to eliminate duplicates Z: 14 8.318 1.605 0.510 0.506 0.923 0.462 CB 1.025 Z: 13 39.883 2.266 1.048 0.900 1.000 0.417 CB 1.772 13 residues pruned to eliminate duplicates Z: 18 22.197 1.930 0.358 0.848 1.000 0.765 CA 1.523 18 residues pruned to eliminate duplicates Z: 11 9.190 1.648 0.425 0.669 0.900 0.500 CB 1.176 11 residues pruned to eliminate duplicates Z: 17 25.489 1.969 0.461 0.916 1.000 0.875 CA 1.565 17 residues pruned to eliminate duplicates Z: 13 10.583 1.769 0.231 0.786 0.833 0.750 CB 1.308 13 residues pruned to eliminate duplicates Z: 43 27.859 2.008 0.659 0.654 0.857 0.548 CB 1.305 43 residues pruned to eliminate duplicates Z: 35 30.964 1.924 0.804 0.816 0.882 0.353 CB 1.317 34 residues pruned to eliminate duplicates Z: 45 17.517 2.047 0.545 0.309 0.795 0.455 CB 1.297 45 residues pruned to eliminate duplicates Z: 21 23.540 1.866 0.781 0.868 0.950 0.800 CB 1.219 21 residues pruned to eliminate duplicates Z: 15 24.758 1.989 0.793 0.850 1.000 0.857 CA 1.375 15 residues pruned to eliminate duplicates Z: 6 15.218 2.020 0.863 0.828 1.000 0.600 N 1.362 6 residues pruned to eliminate duplicates Z: 10 15.172 2.082 0.623 0.822 0.889 0.667 CB 1.274 10 residues pruned to eliminate duplicates Z: 15 13.687 1.918 0.547 0.501 0.857 0.500 CA 1.436 15 residues pruned to eliminate duplicates Z: 9 10.009 1.772 0.457 0.653 1.000 0.375 CB 1.189 9 residues pruned to eliminate duplicates Z: 7 2.750 1.377 0.486 0.518 0.667 0.500 CB 0.809 6 1.523 1.377 0.059 0.296 0.800 0.600 N 0.734 ? Z: 7 7.321 2.123 0.507 0.666 0.667 0.667 CB 1.202 7 residues pruned to eliminate duplicates Z: 52 31.643 2.173 0.518 0.514 0.922 0.569 CB 1.437 54 residues pruned to eliminate duplicates Z: 15 16.424 1.998 0.884 0.629 0.857 0.714 CB 1.206 15 residues pruned to eliminate duplicates Z: 31 55.159 2.178 0.963 0.917 1.000 0.567 CB 1.662 31 residues pruned to eliminate duplicates Z: 24 35.209 2.153 0.872 0.842 0.957 0.565 CB 1.419 24 residues pruned to eliminate duplicates Z: 6 11.044 1.774 1.084 0.875 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 8 8.805 1.595 1.056 0.791 1.000 0.857 CA 0.786 Z: 12 13.699 1.755 0.570 0.794 0.909 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 11 13.976 1.836 0.500 0.823 0.900 0.700 CB 1.347 11 residues pruned to eliminate duplicates Z: 24 16.424 1.868 0.628 0.612 0.870 0.391 CB 1.165 24 residues pruned to eliminate duplicates Z: 9 13.934 1.642 0.857 0.808 0.875 0.750 CB 1.412 Z: 10 14.195 1.968 0.373 0.927 1.000 1.000 CA 1.227 Z: 16 14.747 1.727 0.373 0.926 0.933 0.533 CB 1.206 16 residues pruned to eliminate duplicates Z: 24 29.372 1.918 0.876 0.892 0.870 0.435 CB 1.406 24 residues pruned to eliminate duplicates Z: 6 4.553 2.076 0.554 0.523 0.800 0.600 CB 0.771 6 residues pruned to eliminate duplicates Z: 46 21.447 2.153 0.459 0.409 0.822 0.556 CB 1.362 46 residues pruned to eliminate duplicates Z: 19 19.288 1.896 0.680 0.749 0.944 0.722 CB 1.210 19 residues pruned to eliminate duplicates Z: 31 47.800 2.116 0.868 0.925 1.000 0.867 CA 1.549 31 residues pruned to eliminate duplicates Z: 17 11.110 1.698 0.263 0.879 0.875 0.750 CB 1.073 17 residues pruned to eliminate duplicates Z: 11 12.112 1.599 0.585 0.819 1.000 0.700 CB 1.146 8 residues pruned to eliminate duplicates Z: 42 22.539 2.170 0.474 0.473 0.878 0.561 CB 1.288 42 residues pruned to eliminate duplicates Z: 10 9.257 1.580 0.537 0.829 1.000 0.778 CB 0.956 10 residues pruned to eliminate duplicates Z: 18 15.968 1.759 0.416 0.927 1.000 1.000 CB 1.089 18 residues pruned to eliminate duplicates Z: 18 12.802 1.673 0.415 0.867 0.882 0.647 CB 1.088 14 residues pruned to eliminate duplicates Z: 16 10.672 1.743 -0.030 0.875 0.933 0.933 CB 1.270 16 residues pruned to eliminate duplicates Z: 9 9.578 1.698 0.296 0.698 0.875 0.625 N 1.468 9 residues pruned to eliminate duplicates Z: 57 26.071 2.077 0.670 0.378 0.821 0.464 CB 1.393 57 residues pruned to eliminate duplicates Z: 14 25.956 2.103 0.951 0.907 0.923 0.923 CB 1.351 14 residues pruned to eliminate duplicates Z: 16 18.192 1.864 0.353 0.871 1.000 0.800 CB 1.358 16 residues pruned to eliminate duplicates Z: 30 16.820 1.929 0.497 0.427 0.862 0.517 CB 1.353 29 residues pruned to eliminate duplicates Z: 6 10.258 1.845 0.618 0.862 1.000 0.800 CB 1.129 Z: 25 22.475 2.027 0.588 0.635 0.917 0.542 CB 1.371 13 residues pruned to eliminate duplicates Z: 11 9.094 1.647 0.555 0.886 0.800 0.600 CB 1.013 11 residues pruned to eliminate duplicates Z: 36 23.795 1.987 0.746 0.613 0.829 0.457 CB 1.257 36 residues pruned to eliminate duplicates Z: 29 17.889 2.108 0.521 0.445 0.821 0.429 CB 1.359 29 residues pruned to eliminate duplicates Z: 12 15.674 1.863 0.581 0.880 1.000 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 11 15.200 1.926 0.490 0.907 1.000 0.900 CB 1.191 11 residues pruned to eliminate duplicates Z: 11 14.027 1.761 0.838 0.746 0.800 0.700 O 1.375 11 residues pruned to eliminate duplicates Z: 17 13.045 1.699 0.127 0.924 0.938 0.875 CB 1.275 17 residues pruned to eliminate duplicates Z: 19 21.654 1.887 0.502 0.883 0.944 0.833 CB 1.379 25 residues pruned to eliminate duplicates Z: 8 2.466 1.370 0.516 0.255 0.571 0.286 CB 1.040 Z: 30 39.561 1.975 0.812 0.922 0.966 0.655 CB 1.495 30 residues pruned to eliminate duplicates Z: 25 19.598 1.772 0.731 0.601 0.875 0.292 CB 1.353 25 residues pruned to eliminate duplicates Z: 17 18.354 2.100 0.725 0.558 0.938 0.750 CB 1.278 17 residues pruned to eliminate duplicates Z: 17 23.827 1.933 0.651 0.872 0.938 0.812 CB 1.451 15 residues pruned to eliminate duplicates Z: 10 8.887 2.017 0.523 0.380 0.667 0.444 CB 1.642 10 residues pruned to eliminate duplicates Z: 15 11.627 1.752 0.487 0.637 0.929 0.643 CB 1.130 15 residues pruned to eliminate duplicates Z: 28 32.611 2.020 0.834 0.896 0.926 0.593 CB 1.310 27 residues pruned to eliminate duplicates Z: 12 7.629 1.713 0.222 0.586 0.909 0.545 CB 1.112 12 residues pruned to eliminate duplicates Z: 9 19.630 1.997 0.590 0.873 1.000 0.875 N 1.591 9 residues pruned to eliminate duplicates Z: 11 20.751 2.088 0.589 0.788 1.000 0.600 CA 1.534 11 residues pruned to eliminate duplicates Z: 9 15.639 1.680 0.818 0.832 1.000 0.750 CB 1.359 9 residues pruned to eliminate duplicates Z: 13 23.321 1.946 0.682 0.917 1.000 0.833 CA 1.451 13 residues pruned to eliminate duplicates Z: 30 35.846 1.975 0.659 0.897 1.000 0.690 CB 1.455 30 residues pruned to eliminate duplicates Z: 41 20.888 2.178 0.456 0.433 0.875 0.500 CB 1.275 41 residues pruned to eliminate duplicates Z: 19 14.878 1.879 0.350 0.638 0.889 0.611 CB 1.367 19 residues pruned to eliminate duplicates Z: 8 12.991 1.912 0.338 0.894 1.000 1.000 CB 1.377 8 residues pruned to eliminate duplicates Z: 13 34.359 2.360 0.830 0.886 1.000 0.667 CB 1.657 13 residues pruned to eliminate duplicates Z: 9 9.901 1.838 0.390 0.535 0.875 0.875 CB 1.512 9 residues pruned to eliminate duplicates Z: 38 30.846 2.011 0.818 0.734 0.892 0.486 CB 1.260 38 residues pruned to eliminate duplicates Z: 24 24.670 1.950 0.860 0.787 0.826 0.435 CB 1.334 24 residues pruned to eliminate duplicates Z: 19 17.439 1.643 0.593 0.879 1.000 0.889 CB 1.139 21 residues pruned to eliminate duplicates Z: 11 7.389 1.680 0.531 0.704 0.800 0.500 CB 0.943 11 residues pruned to eliminate duplicates Z: 10 9.145 1.923 0.338 0.381 0.889 0.444 CB 1.514 9 residues pruned to eliminate duplicates Z: 27 30.288 1.958 1.024 0.834 0.923 0.577 CB 1.218 27 residues pruned to eliminate duplicates Z: 14 10.095 1.754 0.020 0.897 1.000 0.769 CB 1.120 14 residues pruned to eliminate duplicates Z: 31 52.606 2.224 0.974 0.934 0.967 0.467 CB 1.578 31 residues pruned to eliminate duplicates Z: 17 17.077 1.812 0.266 0.849 1.000 0.812 CB 1.379 17 residues pruned to eliminate duplicates Z: 16 27.588 2.121 0.824 0.878 0.867 0.733 CB 1.542 16 residues pruned to eliminate duplicates Z: 41 31.117 1.988 0.535 0.622 1.000 0.700 CB 1.437 41 residues pruned to eliminate duplicates Z: 14 26.145 1.871 0.723 0.906 1.000 0.769 CB 1.600 14 residues pruned to eliminate duplicates Z: 11 21.270 2.183 0.544 0.881 0.900 0.900 CB 1.605 11 residues pruned to eliminate duplicates Z: 13 20.982 1.875 0.660 0.906 1.000 0.917 CB 1.383 13 residues pruned to eliminate duplicates Z: 11 18.123 2.033 0.416 0.782 1.000 0.600 CA 1.554 11 residues pruned to eliminate duplicates Z: 24 10.730 1.882 0.366 0.442 0.783 0.435 CB 1.181 24 residues pruned to eliminate duplicates Z: 15 17.079 1.730 0.426 0.910 1.000 0.857 CB 1.311 15 residues pruned to eliminate duplicates Z: 18 12.114 1.605 0.457 0.816 0.941 0.588 CB 1.015 17 residues pruned to eliminate duplicates Z: 10 15.778 1.873 0.600 0.878 1.000 0.778 CB 1.273 9 residues pruned to eliminate duplicates Z: 8 8.868 1.632 0.228 0.880 1.000 0.857 O 1.211 7 residues pruned to eliminate duplicates Z: 27 21.580 1.987 0.714 0.557 0.846 0.500 CB 1.389 26 residues pruned to eliminate duplicates Z: 17 16.415 1.735 0.648 0.902 1.000 0.750 CB 1.023 17 residues pruned to eliminate duplicates Z: 9 11.231 1.647 0.434 0.877 1.000 0.625 CB 1.222 8 residues pruned to eliminate duplicates Z: 23 11.967 2.035 0.433 0.441 0.727 0.636 CB 1.278 23 residues pruned to eliminate duplicates Z: 16 9.752 1.809 0.194 0.436 1.000 0.667 CB 1.246 14 residues pruned to eliminate duplicates Z: 9 14.499 1.772 0.620 0.844 1.000 0.625 CB 1.329 9 residues pruned to eliminate duplicates Z: 15 21.175 1.910 0.618 0.870 1.000 0.786 CB 1.337 17 residues pruned to eliminate duplicates Z: 6 7.945 2.023 -0.079 0.867 1.000 1.000 CB 1.395 6 residues pruned to eliminate duplicates Z: 8 10.202 1.894 0.671 0.497 1.000 0.571 CB 1.223 12 residues pruned to eliminate duplicates Z: 33 27.868 2.139 0.584 0.635 0.875 0.594 CB 1.464 33 residues pruned to eliminate duplicates Z: 11 8.985 1.581 0.120 0.916 0.900 0.900 O 1.259 11 residues pruned to eliminate duplicates Z: 13 22.772 1.980 0.566 0.898 1.000 0.917 CA 1.517 13 residues pruned to eliminate duplicates Z: 17 8.238 1.736 0.249 0.336 0.875 0.500 CB 1.299 Z: 33 27.442 2.044 0.607 0.722 0.938 0.562 CB 1.290 33 residues pruned to eliminate duplicates Z: 11 8.701 1.750 0.220 0.715 0.900 0.600 CB 1.179 9 residues pruned to eliminate duplicates Z: 21 21.008 1.731 0.548 0.904 0.950 0.650 CB 1.314 23 residues pruned to eliminate duplicates Z: 14 10.142 1.585 0.428 0.772 0.846 0.462 CB 1.155 13 residues pruned to eliminate duplicates Z: 11 11.738 1.834 0.232 0.801 1.000 0.700 CA 1.263 11 residues pruned to eliminate duplicates Z: 18 16.597 1.735 0.340 0.934 1.000 0.882 CB 1.207 18 residues pruned to eliminate duplicates Z: 24 14.285 1.967 0.553 0.441 0.870 0.478 CB 1.192 24 residues pruned to eliminate duplicates Z: 8 4.222 1.815 0.554 0.321 0.571 0.429 CB 1.206 8 residues pruned to eliminate duplicates Z: 6 7.343 1.984 0.072 0.833 1.000 0.800 CB 1.158 6 residues pruned to eliminate duplicates Z: 42 24.699 2.200 0.442 0.449 0.878 0.439 CB 1.459 42 residues pruned to eliminate duplicates Z: 9 22.469 2.125 0.646 0.898 1.000 0.750 CB 1.625 9 residues pruned to eliminate duplicates Z: 22 27.776 2.023 0.952 0.714 0.905 0.524 CB 1.397 22 residues pruned to eliminate duplicates Z: 28 21.444 1.983 0.551 0.626 0.889 0.519 CB 1.340 27 residues pruned to eliminate duplicates Z: 11 15.498 2.050 0.496 0.785 0.900 0.700 CA 1.381 11 residues pruned to eliminate duplicates Z: 13 3.727 1.826 0.314 0.412 0.750 0.500 CB 0.656 13 residues pruned to eliminate duplicates Z: 6 5.206 1.419 0.458 0.689 0.800 0.600 CA 1.183 6 residues pruned to eliminate duplicates Z: 13 5.575 1.725 0.334 0.370 0.750 0.417 CB 1.073 13 residues pruned to eliminate duplicates Z: 26 17.399 1.712 0.643 0.867 0.840 0.520 CB 1.077 26 residues pruned to eliminate duplicates Z: 43 22.086 2.123 0.472 0.464 0.929 0.524 CB 1.219 43 residues pruned to eliminate duplicates Z: 17 22.140 2.114 0.405 0.822 0.938 0.875 CA 1.503 17 residues pruned to eliminate duplicates Z: 6 5.630 1.458 0.419 0.738 0.800 0.600 N 1.229 6 residues pruned to eliminate duplicates Z: 9 5.681 1.532 0.133 0.663 0.875 0.625 CB 1.137 9 residues pruned to eliminate duplicates Z: 29 35.220 1.990 1.011 0.911 0.964 0.393 CB 1.223 29 residues pruned to eliminate duplicates Z: 17 23.620 2.072 0.407 0.829 1.000 0.812 CA 1.523 17 residues pruned to eliminate duplicates Z: 15 23.931 1.946 0.545 0.840 1.000 0.714 CB 1.587 15 residues pruned to eliminate duplicates Z: 21 17.147 2.010 0.442 0.664 0.900 0.550 CB 1.262 21 residues pruned to eliminate duplicates Z: 13 17.600 1.801 0.563 0.881 1.000 1.000 CB 1.308 13 residues pruned to eliminate duplicates Z: 6 4.618 1.391 0.354 0.343 1.000 0.600 CA 1.300 Z: 7 5.232 1.650 0.412 0.501 0.833 0.500 CB 1.098 Z: 14 25.158 2.016 0.686 0.906 0.923 0.692 CA 1.581 14 residues pruned to eliminate duplicates Z: 8 5.095 1.761 0.387 0.614 0.857 0.571 CB 0.826 Z: 15 17.243 2.142 0.383 0.499 1.000 0.571 CB 1.558 15 residues pruned to eliminate duplicates Z: 30 50.789 2.224 0.878 0.941 0.966 0.793 CB 1.624 30 residues pruned to eliminate duplicates Z: 12 17.856 2.057 0.433 0.898 0.909 0.818 CA 1.437 12 residues pruned to eliminate duplicates Z: 10 9.765 1.612 0.744 0.867 0.889 0.889 CB 0.953 10 residues pruned to eliminate duplicates Z: 11 23.126 2.161 0.868 0.788 0.900 0.700 CB 1.563 11 residues pruned to eliminate duplicates Z: 25 31.456 1.923 0.826 0.896 0.958 0.625 CB 1.367 25 residues pruned to eliminate duplicates Z: 12 7.835 1.884 0.428 0.447 0.909 0.545 CB 1.020 11 residues pruned to eliminate duplicates Z: 17 19.604 1.777 0.714 0.819 0.938 0.750 CB 1.301 17 residues pruned to eliminate duplicates Z: 15 18.957 1.910 0.324 0.904 1.000 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 59 42.414 2.247 0.665 0.566 0.897 0.603 CB 1.558 65 residues pruned to eliminate duplicates Z: 9 9.227 1.642 0.364 0.762 0.875 0.500 CB 1.320 9 residues pruned to eliminate duplicates Z: 14 12.244 1.735 0.302 0.753 0.923 0.538 N 1.299 13 residues pruned to eliminate duplicates Z: 7 3.711 1.631 -0.266 0.604 1.000 0.667 CB 1.147 Z: 46 46.680 2.246 0.562 0.785 0.933 0.800 CA 1.655 46 residues pruned to eliminate duplicates Z: 13 28.928 2.016 0.929 0.910 0.917 0.667 CB 1.661 13 residues pruned to eliminate duplicates Z: 12 25.201 1.976 0.917 0.929 1.000 0.909 CB 1.404 12 residues pruned to eliminate duplicates 6 1.935 1.343 0.504 0.427 0.800 0.800 N 0.578 ? Z: 7 10.784 1.990 0.355 0.643 1.000 0.500 CA 1.429 7 residues pruned to eliminate duplicates Z: 10 7.089 1.576 0.316 0.505 1.000 0.556 CB 1.134 10 residues pruned to eliminate duplicates Z: 18 14.751 1.999 0.424 0.460 1.000 0.588 CB 1.309 18 residues pruned to eliminate duplicates Z: 11 13.088 1.890 0.279 0.813 1.000 0.500 CB 1.304 11 residues pruned to eliminate duplicates Z: 8 18.887 2.134 0.505 0.876 1.000 0.429 N 1.615 8 residues pruned to eliminate duplicates Z: 11 11.724 1.963 0.496 0.809 0.800 0.400 CB 1.206 11 residues pruned to eliminate duplicates Z: 14 20.681 1.978 0.886 0.871 0.846 0.769 CB 1.326 14 residues pruned to eliminate duplicates Z: 16 14.742 1.736 0.147 0.921 1.000 0.867 CB 1.346 15 residues pruned to eliminate duplicates Z: 7 10.895 1.741 1.048 0.481 1.000 0.667 CB 1.271 7 residues pruned to eliminate duplicates Z: 15 5.717 1.749 0.175 0.380 0.714 0.429 CB 1.183 15 residues pruned to eliminate duplicates Z: 7 3.743 1.334 0.508 0.433 0.833 0.333 CB 0.977 Z: 16 20.990 2.090 0.372 0.853 0.933 0.867 CA 1.496 16 residues pruned to eliminate duplicates Z: 17 13.682 1.829 0.541 0.821 0.812 0.500 CB 1.131 17 residues pruned to eliminate duplicates Z: 18 15.940 1.826 0.528 0.820 1.000 0.588 CB 1.050 18 residues pruned to eliminate duplicates Z: 20 16.019 1.689 0.440 0.927 1.000 0.842 CB 1.059 20 residues pruned to eliminate duplicates Z: 25 23.423 2.060 0.582 0.657 0.958 0.667 CB 1.323 25 residues pruned to eliminate duplicates Z: 33 24.725 2.002 0.875 0.531 0.906 0.562 CB 1.246 34 residues pruned to eliminate duplicates Z: 16 22.579 1.936 0.323 0.909 1.000 1.000 CB 1.615 16 residues pruned to eliminate duplicates Z: 18 15.182 1.696 0.338 0.816 0.882 0.882 CB 1.397 18 residues pruned to eliminate duplicates Z: 6 3.443 1.586 0.892 0.394 0.400 0.400 CA 1.436 6 residues pruned to eliminate duplicates Z: 7 5.686 1.759 0.154 0.849 0.833 0.833 CB 1.018 7 residues pruned to eliminate duplicates Z: 16 15.785 1.726 0.300 0.927 1.000 0.933 CB 1.273 16 residues pruned to eliminate duplicates Z: 12 8.497 1.669 0.637 0.413 0.909 0.727 CB 1.129 12 residues pruned to eliminate duplicates Z: 12 16.562 2.034 0.461 0.811 0.909 0.818 CB 1.409 12 residues pruned to eliminate duplicates Z: 12 10.003 1.795 0.155 0.787 0.818 0.818 CB 1.382 12 residues pruned to eliminate duplicates Z: 6 2.310 1.817 -0.046 0.457 0.600 0.600 N 1.037 Z: 11 13.160 2.070 0.241 0.810 0.800 0.700 CB 1.545 11 residues pruned to eliminate duplicates Z: 9 2.225 1.540 0.191 0.212 0.750 0.375 CB 0.803 Z: 45 22.377 2.140 0.557 0.422 0.864 0.545 CB 1.271 50 residues pruned to eliminate duplicates Z: 10 2.980 1.287 0.176 0.312 0.778 0.444 N 1.039 Z: 13 27.821 1.986 0.806 0.902 1.000 0.750 CB 1.597 13 residues pruned to eliminate duplicates Z: 7 5.364 1.680 0.334 0.511 1.000 0.833 CB 0.966 7 residues pruned to eliminate duplicates Z: 11 15.735 1.843 0.655 0.861 1.000 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 13 5.301 1.698 0.349 0.471 0.833 0.583 CB 0.826 7 residues pruned to eliminate duplicates Z: 9 20.327 2.030 0.572 0.886 1.000 0.750 N 1.625 9 residues pruned to eliminate duplicates Z: 9 9.563 1.667 0.560 0.733 0.875 0.250 CB 1.205 9 residues pruned to eliminate duplicates Z: 19 22.905 1.970 0.371 0.913 0.944 0.833 CB 1.497 19 residues pruned to eliminate duplicates Z: 6 8.352 1.622 1.478 0.561 0.800 0.400 CA 1.095 Z: 28 19.122 1.983 0.525 0.556 0.852 0.519 CB 1.352 28 residues pruned to eliminate duplicates Z: 8 12.078 2.028 0.269 0.886 1.000 0.857 CB 1.280 8 residues pruned to eliminate duplicates Z: 12 19.456 1.951 0.834 0.841 0.909 0.273 CB 1.345 12 residues pruned to eliminate duplicates Z: 6 2.905 1.451 0.405 0.376 0.800 0.400 N 0.909 Z: 8 10.755 1.882 0.440 0.665 0.857 0.857 CB 1.502 8 residues pruned to eliminate duplicates Z: 6 13.917 1.887 0.625 0.782 1.000 0.600 CA 1.584 6 residues pruned to eliminate duplicates Z: 24 18.368 1.981 0.644 0.417 0.870 0.522 CB 1.475 24 residues pruned to eliminate duplicates Z: 10 6.440 1.645 -0.018 0.891 1.000 0.778 CB 0.955 10 residues pruned to eliminate duplicates Z: 8 15.579 1.881 0.600 0.875 1.000 0.857 N 1.424 8 residues pruned to eliminate duplicates Z: 24 29.445 2.041 0.370 0.907 1.000 0.870 CB 1.561 24 residues pruned to eliminate duplicates Z: 6 6.139 1.576 0.462 0.477 1.000 1.000 N 1.220 6 residues pruned to eliminate duplicates 8 1.597 1.521 0.503 0.259 0.571 0.571 CB 0.609 ? Z: 6 2.424 1.480 0.702 0.299 0.600 0.400 CB 0.897 Z: 6 4.751 1.545 0.602 0.609 0.800 0.800 CB 0.968 Z: 11 8.024 1.861 0.313 0.576 0.800 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 19 17.008 1.887 0.566 0.716 0.889 0.778 CB 1.255 19 residues pruned to eliminate duplicates Z: 11 13.243 1.899 0.345 0.883 1.000 0.600 CB 1.185 11 residues pruned to eliminate duplicates Z: 13 5.315 1.610 0.206 0.399 0.833 0.417 CB 1.055 13 residues pruned to eliminate duplicates Z: 29 41.793 2.023 1.004 0.913 1.000 0.679 CB 1.379 29 residues pruned to eliminate duplicates Z: 9 3.847 1.423 0.599 0.292 0.625 0.375 O 1.208 Z: 10 3.317 1.619 1.095 0.270 0.667 0.556 CB 0.635 10 residues pruned to eliminate duplicates Z: 24 29.038 1.997 0.807 0.896 0.913 0.522 CB 1.316 24 residues pruned to eliminate duplicates Z: 28 40.167 2.017 0.661 0.934 1.000 0.741 CB 1.608 28 residues pruned to eliminate duplicates Z: 29 29.542 1.972 0.697 0.889 0.893 0.571 CB 1.345 29 residues pruned to eliminate duplicates Z: 17 22.100 2.041 0.576 0.868 0.938 0.750 CB 1.339 17 residues pruned to eliminate duplicates Z: 7 4.831 1.507 0.601 0.433 0.833 0.667 CB 1.052 8 residues pruned to eliminate duplicates Z: 10 4.287 1.551 -0.003 0.384 1.000 0.444 CB 1.045 10 residues pruned to eliminate duplicates Z: 11 14.077 1.879 0.384 0.878 1.000 0.700 CB 1.243 11 residues pruned to eliminate duplicates Z: 10 25.100 2.015 0.841 0.879 1.000 0.444 CB 1.636 10 residues pruned to eliminate duplicates Z: 11 8.886 1.831 0.444 0.769 0.900 0.600 CB 0.931 11 residues pruned to eliminate duplicates Z: 8 11.003 2.009 0.313 0.750 1.000 0.857 CB 1.261 8 residues pruned to eliminate duplicates Z: 8 12.836 1.906 0.819 0.667 1.000 0.857 CB 1.200 8 residues pruned to eliminate duplicates Z: 10 5.638 1.675 0.508 0.305 0.778 0.333 CB 1.189 10 residues pruned to eliminate duplicates Z: 13 21.646 1.822 0.691 0.907 1.000 0.833 CA 1.441 10 residues pruned to eliminate duplicates Z: 17 14.441 1.738 0.186 0.820 1.000 0.750 CA 1.327 17 residues pruned to eliminate duplicates Z: 6 6.541 1.623 0.264 0.880 1.000 1.000 CB 1.033 6 residues pruned to eliminate duplicates Z: 22 24.151 2.022 0.346 0.893 0.952 0.952 CB 1.459 22 residues pruned to eliminate duplicates Z: 6 3.330 1.660 0.453 0.581 0.800 0.800 CB 0.714 6 1.317 1.549 0.574 0.291 0.600 0.400 N 0.509 ? Z: 10 10.724 1.820 0.161 0.814 1.000 0.778 CA 1.288 10 residues pruned to eliminate duplicates Z: 24 33.717 2.043 0.861 0.905 0.957 0.652 CB 1.376 24 residues pruned to eliminate duplicates Z: 7 9.141 2.055 0.133 0.835 1.000 0.500 CB 1.201 7 residues pruned to eliminate duplicates Z: 11 17.059 1.931 0.955 0.480 1.000 0.700 CB 1.458 11 residues pruned to eliminate duplicates Z: 19 33.008 2.103 0.698 0.917 0.944 0.722 CB 1.627 19 residues pruned to eliminate duplicates Z: 13 12.697 1.853 0.254 0.658 0.917 0.667 CA 1.485 13 residues pruned to eliminate duplicates Z: 9 23.629 2.093 0.941 0.843 1.000 0.750 CB 1.532 9 residues pruned to eliminate duplicates Z: 15 21.100 1.884 0.659 0.914 1.000 0.786 CB 1.276 15 residues pruned to eliminate duplicates Z: 6 8.442 1.670 0.679 0.837 1.000 1.000 CA 1.007 6 residues pruned to eliminate duplicates Z: 17 18.545 2.047 0.454 0.605 1.000 0.750 CB 1.410 17 residues pruned to eliminate duplicates Z: 26 15.515 1.848 0.567 0.554 0.920 0.560 CB 1.106 26 residues pruned to eliminate duplicates Z: 14 22.828 1.856 0.814 0.923 1.000 1.000 CB 1.322 14 residues pruned to eliminate duplicates Z: 10 6.915 1.653 0.576 0.388 0.778 0.556 CA 1.280 10 residues pruned to eliminate duplicates Z: 9 8.949 2.020 0.160 0.604 1.000 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 7 4.482 1.656 0.374 0.342 0.833 0.500 CA 1.146 Z: 32 21.718 2.106 0.508 0.445 0.935 0.484 CB 1.389 32 residues pruned to eliminate duplicates Z: 12 10.966 1.641 0.520 0.801 0.909 0.727 CB 1.120 12 residues pruned to eliminate duplicates Z: 8 11.535 2.102 0.559 0.544 0.857 0.571 CA 1.487 8 residues pruned to eliminate duplicates Z: 18 35.894 2.113 1.101 0.892 0.882 0.471 CB 1.596 18 residues pruned to eliminate duplicates Z: 9 2.084 1.306 0.824 0.286 0.625 0.500 CB 0.630 Z: 7 8.413 1.915 0.620 0.888 1.000 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 13 19.425 1.937 0.738 0.855 0.833 0.750 CB 1.475 13 residues pruned to eliminate duplicates Z: 24 14.507 2.023 0.494 0.426 0.826 0.609 CB 1.308 24 residues pruned to eliminate duplicates Z: 16 10.726 1.704 0.063 0.881 0.933 0.733 CB 1.186 16 residues pruned to eliminate duplicates Z: 9 9.470 1.677 0.422 0.820 0.875 0.500 CB 1.216 9 residues pruned to eliminate duplicates Z: 8 10.657 2.051 0.430 0.751 0.857 0.857 CB 1.281 16 residues pruned to eliminate duplicates Z: 29 33.309 1.969 0.505 0.915 1.000 0.786 CB 1.500 29 residues pruned to eliminate duplicates Z: 10 7.754 1.795 0.473 0.585 0.889 0.778 CB 1.014 10 residues pruned to eliminate duplicates Z: 9 14.756 2.301 0.287 0.835 0.875 0.625 CB 1.507 9 residues pruned to eliminate duplicates Z: 16 26.041 2.004 0.423 0.909 1.000 0.733 CA 1.673 16 residues pruned to eliminate duplicates Z: 40 40.056 2.128 0.687 0.825 0.949 0.821 CA 1.421 40 residues pruned to eliminate duplicates Z: 12 23.985 1.890 0.878 0.913 1.000 0.455 N 1.442 12 residues pruned to eliminate duplicates Z: 6 6.985 1.508 0.885 0.478 1.000 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 6 3.099 1.675 0.345 0.294 0.800 0.400 CB 0.969 Z: 13 15.001 1.854 0.292 0.880 1.000 0.917 CB 1.310 13 residues pruned to eliminate duplicates Z: 6 8.976 1.865 0.446 0.669 1.000 1.000 CB 1.273 Z: 11 15.146 1.767 0.570 0.867 0.900 0.800 CB 1.403 11 residues pruned to eliminate duplicates Z: 6 3.144 1.504 0.533 0.540 0.600 0.600 CB 0.978 Z: 9 5.050 1.659 0.304 0.482 0.750 0.500 CB 1.121 9 residues pruned to eliminate duplicates Z: 10 8.307 2.017 0.484 0.350 0.778 0.667 CB 1.399 10 residues pruned to eliminate duplicates Z: 25 43.680 2.112 1.321 0.887 0.958 0.833 CB 1.368 25 residues pruned to eliminate duplicates Z: 19 20.826 2.265 0.727 0.395 0.889 0.556 CB 1.578 19 residues pruned to eliminate duplicates Z: 23 41.792 2.248 0.837 0.916 1.000 0.909 CA 1.524 23 residues pruned to eliminate duplicates Z: 10 7.286 1.919 0.284 0.568 0.889 0.667 CB 1.038 Z: 12 10.345 1.909 0.360 0.513 0.909 0.545 CB 1.304 12 residues pruned to eliminate duplicates Z: 15 8.404 1.726 0.409 0.606 0.857 0.643 CB 0.974 15 residues pruned to eliminate duplicates Z: 13 11.872 2.005 0.918 0.405 0.833 0.833 CB 1.181 13 residues pruned to eliminate duplicates Z: 14 15.677 1.887 0.621 0.854 0.846 0.769 CB 1.241 14 residues pruned to eliminate duplicates Z: 22 27.654 2.066 0.635 0.736 0.952 0.810 CA 1.517 19 residues pruned to eliminate duplicates Z: 66 32.822 1.993 0.486 0.578 0.969 0.738 CB 1.315 66 residues pruned to eliminate duplicates Z: 30 35.310 1.963 0.906 0.900 0.966 0.690 CB 1.296 30 residues pruned to eliminate duplicates Z: 23 27.064 1.995 0.665 0.884 0.955 0.636 CB 1.315 23 residues pruned to eliminate duplicates Z: 12 12.800 1.750 0.531 0.880 0.909 0.818 CB 1.148 12 residues pruned to eliminate duplicates Z: 16 27.625 2.130 0.766 0.838 0.933 0.600 CA 1.519 16 residues pruned to eliminate duplicates Z: 31 46.910 2.198 0.868 0.922 1.000 0.600 CB 1.467 31 residues pruned to eliminate duplicates Z: 13 16.920 1.798 0.702 0.880 0.833 0.750 CB 1.388 12 residues pruned to eliminate duplicates Z: 23 21.230 1.797 0.642 0.934 0.955 0.545 CB 1.120 23 residues pruned to eliminate duplicates Z: 7 4.685 1.410 0.908 0.484 1.000 0.667 N 0.722 Z: 22 11.305 2.067 0.504 0.272 0.810 0.333 CB 1.270 22 residues pruned to eliminate duplicates 10 1.412 1.350 0.833 0.155 0.556 0.444 CB 0.523 ? Z: 6 3.278 1.629 -0.011 0.383 0.800 0.400 CA 1.287 6 residues pruned to eliminate duplicates Z: 8 8.581 1.948 0.315 0.728 1.000 0.714 CB 1.031 8 residues pruned to eliminate duplicates Z: 24 20.733 1.748 0.669 0.898 0.957 0.522 CB 1.108 24 residues pruned to eliminate duplicates Z: 13 10.584 1.820 0.562 0.632 0.833 0.500 CB 1.140 18 residues pruned to eliminate duplicates Z: 17 20.137 2.011 0.356 0.791 0.938 0.812 CB 1.525 17 residues pruned to eliminate duplicates Z: 8 5.021 1.409 1.055 0.444 0.571 0.429 O 1.215 Z: 23 20.830 2.157 0.453 0.578 0.909 0.455 CB 1.447 23 residues pruned to eliminate duplicates Z: 25 18.970 1.699 0.240 0.898 1.000 0.958 CB 1.315 25 residues pruned to eliminate duplicates Z: 17 13.837 1.691 0.704 0.874 1.000 0.375 CB 0.874 15 residues pruned to eliminate duplicates Z: 6 6.587 1.297 0.591 0.764 1.000 0.800 N 1.129 6 residues pruned to eliminate duplicates Z: 17 12.613 1.662 0.179 0.917 0.938 0.688 CB 1.210 17 residues pruned to eliminate duplicates Z: 6 7.564 1.869 0.287 0.788 1.000 1.000 CB 1.091 Z: 7 5.356 1.295 0.720 0.711 0.667 0.500 CB 1.216 Z: 12 18.248 1.823 0.886 0.912 0.909 0.818 CB 1.247 13 residues pruned to eliminate duplicates Z: 28 20.569 1.887 0.538 0.631 0.963 0.593 CB 1.252 28 residues pruned to eliminate duplicates Z: 7 4.742 1.885 0.353 0.850 1.000 0.833 CB 0.563 6 residues pruned to eliminate duplicates Z: 13 11.369 1.833 0.506 0.559 0.750 0.417 CB 1.497 13 residues pruned to eliminate duplicates Z: 8 7.457 1.740 0.478 0.540 0.857 0.571 N 1.229 Z: 24 24.917 2.000 0.299 0.896 1.000 0.870 CB 1.432 23 residues pruned to eliminate duplicates Z: 9 6.125 1.728 0.181 0.459 0.875 0.500 CB 1.265 9 residues pruned to eliminate duplicates Z: 12 14.349 1.856 0.440 0.854 1.000 0.909 CB 1.195 12 residues pruned to eliminate duplicates Z: 6 3.444 1.762 -0.191 0.769 1.000 0.800 CB 0.852 6 residues pruned to eliminate duplicates Z: 22 21.070 1.702 0.738 0.870 0.905 0.714 CB 1.255 22 residues pruned to eliminate duplicates Z: 15 12.895 1.748 0.506 0.506 0.929 0.714 CB 1.402 15 residues pruned to eliminate duplicates Z: 38 32.104 2.021 0.439 0.717 0.973 0.811 CB 1.533 38 residues pruned to eliminate duplicates Z: 15 9.655 1.706 0.305 0.547 1.000 0.500 CB 1.107 14 residues pruned to eliminate duplicates Z: 31 22.658 1.929 0.578 0.584 0.967 0.700 CB 1.296 31 residues pruned to eliminate duplicates Z: 10 5.198 1.676 0.255 0.464 0.889 0.778 CB 0.961 10 residues pruned to eliminate duplicates Z: 23 20.820 1.778 0.609 0.849 0.955 0.500 CB 1.205 23 residues pruned to eliminate duplicates Z: 27 34.362 2.039 1.043 0.874 0.962 0.692 CB 1.225 27 residues pruned to eliminate duplicates 6 1.342 1.271 0.458 0.321 0.600 0.600 CB 0.658 ? Z: 10 11.922 1.919 0.386 0.895 0.889 0.778 CB 1.204 10 residues pruned to eliminate duplicates Z: 8 7.378 1.665 0.328 0.679 0.857 0.714 CB 1.247 8 residues pruned to eliminate duplicates Z: 16 20.392 1.950 0.357 0.870 0.933 0.667 CA 1.556 16 residues pruned to eliminate duplicates Z: 7 8.795 1.710 0.552 0.541 1.000 1.000 CA 1.300 Z: 10 26.517 2.096 1.168 0.847 1.000 0.444 CA 1.444 10 residues pruned to eliminate duplicates Z: 8 2.054 1.219 0.286 0.447 0.571 0.429 CB 0.916 5 residues pruned to eliminate duplicates Z: 9 12.364 1.844 0.523 0.865 1.000 0.625 CB 1.141 9 residues pruned to eliminate duplicates Z: 6 8.611 1.783 0.404 0.754 1.000 0.800 CA 1.227 6 residues pruned to eliminate duplicates 8 1.981 1.477 0.397 0.263 0.571 0.429 CB 0.833 ? Z: 7 10.445 1.875 0.503 0.805 1.000 0.667 CB 1.159 8 residues pruned to eliminate duplicates Z: 6 8.411 1.650 0.909 0.648 1.000 0.600 CB 1.041 Z: 24 22.521 1.822 0.566 0.914 0.957 0.565 CB 1.217 24 residues pruned to eliminate duplicates Z: 7 8.411 1.582 0.485 0.868 1.000 0.833 CB 1.069 6 residues pruned to eliminate duplicates Z: 20 21.121 1.715 0.566 0.926 1.000 0.737 CB 1.265 20 residues pruned to eliminate duplicates Z: 19 22.508 1.745 0.784 0.679 0.944 0.444 CB 1.530 18 residues pruned to eliminate duplicates Z: 27 35.938 2.002 0.908 0.929 1.000 0.692 CB 1.291 27 residues pruned to eliminate duplicates Z: 16 23.702 2.001 0.666 0.719 0.933 0.867 N 1.614 17 residues pruned to eliminate duplicates Z: 16 10.028 1.655 -0.035 0.864 0.933 0.800 O 1.273 16 residues pruned to eliminate duplicates Z: 8 5.405 1.601 0.499 0.513 0.714 0.714 CB 1.177 5 residues pruned to eliminate duplicates Z: 6 3.281 1.727 -0.243 0.505 1.000 0.400 CB 1.118 Z: 10 15.181 2.005 0.443 0.763 0.889 0.556 CA 1.558 10 residues pruned to eliminate duplicates Z: 29 31.013 1.980 0.819 0.904 0.893 0.536 CB 1.299 29 residues pruned to eliminate duplicates Z: 23 19.773 2.231 0.673 0.294 0.909 0.364 CB 1.565 23 residues pruned to eliminate duplicates Z: 8 4.387 1.713 0.177 0.606 1.000 0.714 CB 0.744 10 residues pruned to eliminate duplicates Z: 12 10.639 1.709 0.595 0.502 1.000 0.636 CB 1.174 11 residues pruned to eliminate duplicates Z: 9 10.610 1.826 0.512 0.724 0.875 0.500 CA 1.268 9 residues pruned to eliminate duplicates Z: 39 25.690 2.193 0.603 0.471 0.842 0.526 CB 1.449 39 residues pruned to eliminate duplicates Z: 8 12.363 1.910 0.343 0.880 1.000 0.857 CB 1.320 8 residues pruned to eliminate duplicates Z: 9 4.565 1.443 0.626 0.372 0.750 0.500 N 1.051 15 residues pruned to eliminate duplicates Z: 6 12.405 2.012 0.924 0.800 0.800 0.600 N 1.378 6 residues pruned to eliminate duplicates Z: 22 25.451 1.982 0.559 0.872 0.857 0.714 CA 1.528 22 residues pruned to eliminate duplicates Z: 7 7.011 1.726 0.351 0.772 1.000 0.833 CB 0.965 6 residues pruned to eliminate duplicates Z: 10 4.331 1.464 0.442 0.290 0.667 0.556 N 1.298 Z: 9 17.270 2.036 0.877 0.711 0.875 0.625 CA 1.508 9 residues pruned to eliminate duplicates Z: 21 30.612 2.211 0.409 0.925 0.950 0.800 CA 1.624 21 residues pruned to eliminate duplicates Z: 36 18.759 1.939 0.329 0.572 0.829 0.486 CB 1.385 36 residues pruned to eliminate duplicates Z: 18 10.872 1.834 0.237 0.477 0.941 0.471 CB 1.264 18 residues pruned to eliminate duplicates Z: 20 32.100 2.257 1.394 0.588 0.842 0.421 CB 1.488 20 residues pruned to eliminate duplicates Z: 24 33.408 2.277 0.785 0.620 0.957 0.652 CB 1.600 32 residues pruned to eliminate duplicates Z: 9 3.380 1.564 0.433 0.259 0.875 0.500 CB 0.803 Z: 15 12.676 1.838 0.699 0.605 0.857 0.571 CB 1.146 15 residues pruned to eliminate duplicates Z: 9 13.158 1.793 0.688 0.855 1.000 0.750 CB 1.135 9 residues pruned to eliminate duplicates Z: 28 35.068 1.989 0.807 0.915 0.963 0.667 CB 1.378 28 residues pruned to eliminate duplicates Z: 14 25.528 1.916 0.849 0.914 1.000 0.846 CA 1.413 15 residues pruned to eliminate duplicates Z: 18 17.244 1.898 0.345 0.812 0.941 0.647 CB 1.327 18 residues pruned to eliminate duplicates Z: 13 25.121 2.188 0.655 0.851 1.000 0.750 CA 1.482 13 residues pruned to eliminate duplicates Z: 7 2.924 1.606 0.093 0.400 0.833 0.500 CB 0.907 7 residues pruned to eliminate duplicates Z: 8 10.650 1.791 0.710 0.722 0.857 0.429 CB 1.255 8 residues pruned to eliminate duplicates Z: 7 3.062 1.504 0.124 0.375 0.833 0.667 CA 1.014 7 residues pruned to eliminate duplicates Z: 10 11.103 2.019 0.210 0.890 1.000 0.444 CB 1.090 10 residues pruned to eliminate duplicates Z: 6 4.704 1.388 0.372 0.665 1.000 1.000 CA 0.948 6 residues pruned to eliminate duplicates Z: 26 27.657 1.967 0.725 0.883 0.960 0.600 CB 1.228 26 residues pruned to eliminate duplicates Z: 6 2.926 1.599 0.271 0.310 1.000 0.600 CB 0.795 Z: 35 25.352 1.979 0.341 0.570 0.971 0.559 CB 1.577 36 residues pruned to eliminate duplicates Z: 10 13.600 1.888 0.439 0.855 0.889 0.667 CB 1.386 10 residues pruned to eliminate duplicates Z: 16 13.219 1.739 0.256 0.914 1.000 0.867 CB 1.105 16 residues pruned to eliminate duplicates Z: 6 4.457 1.463 0.887 0.575 0.600 0.600 CB 1.120 6 residues pruned to eliminate duplicates Z: 19 9.451 1.759 0.592 0.317 0.778 0.556 CB 1.252 19 residues pruned to eliminate duplicates Z: 29 23.112 1.945 0.606 0.587 1.000 0.607 CB 1.287 29 residues pruned to eliminate duplicates 7 1.822 1.676 0.274 0.443 0.667 0.333 CB 0.554 ? Z: 30 25.038 1.980 0.561 0.613 0.931 0.793 CB 1.452 30 residues pruned to eliminate duplicates Z: 10 13.148 1.807 0.491 0.858 0.778 0.556 CB 1.540 10 residues pruned to eliminate duplicates Z: 33 19.341 1.875 0.514 0.587 0.906 0.562 CB 1.223 33 residues pruned to eliminate duplicates Z: 12 14.257 2.036 0.682 0.520 0.909 0.727 CB 1.354 12 residues pruned to eliminate duplicates Z: 12 14.604 1.887 0.228 0.924 1.000 0.909 CB 1.334 12 residues pruned to eliminate duplicates Z: 18 21.471 1.971 0.466 0.829 0.882 0.824 CA 1.537 19 residues pruned to eliminate duplicates Z: 12 12.995 1.733 0.492 0.829 0.909 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 14 17.321 2.100 0.747 0.694 0.769 0.538 CB 1.425 14 residues pruned to eliminate duplicates Z: 13 9.554 1.725 0.185 0.783 0.917 0.667 CB 1.147 13 residues pruned to eliminate duplicates Z: 8 2.371 1.414 0.291 0.330 0.571 0.429 CA 1.035 Z: 20 16.299 1.876 0.475 0.668 0.895 0.632 CB 1.293 20 residues pruned to eliminate duplicates Z: 6 2.621 1.738 0.095 0.398 0.600 0.600 CB 1.144 Z: 8 12.342 1.811 0.715 0.786 1.000 0.571 CB 1.167 8 residues pruned to eliminate duplicates Z: 15 22.502 1.875 0.709 0.910 1.000 0.643 CB 1.331 15 residues pruned to eliminate duplicates Z: 18 18.285 1.897 0.507 0.771 1.000 0.882 CA 1.221 18 residues pruned to eliminate duplicates Z: 6 6.722 1.645 0.830 0.770 0.800 0.400 CB 0.983 6 residues pruned to eliminate duplicates Z: 28 31.782 2.003 0.918 0.808 0.889 0.556 CB 1.370 28 residues pruned to eliminate duplicates 6 1.457 1.502 -0.106 0.268 0.800 0.600 CB 0.791 ? Z: 16 26.445 2.054 0.799 0.857 0.933 0.733 CA 1.459 16 residues pruned to eliminate duplicates Z: 12 9.365 1.887 0.408 0.396 0.909 0.636 CA 1.305 Z: 13 7.669 1.832 0.615 0.432 0.750 0.500 CB 1.070 13 residues pruned to eliminate duplicates Z: 13 17.389 1.772 0.440 0.814 1.000 0.667 CA 1.498 13 residues pruned to eliminate duplicates Z: 6 3.156 1.630 -0.131 0.494 1.000 0.600 CB 1.002 5 residues pruned to eliminate duplicates Z: 7 2.788 1.233 0.518 0.428 0.833 0.500 CB 0.786 Z: 9 16.451 1.975 0.623 0.862 1.000 1.000 CA 1.332 9 residues pruned to eliminate duplicates Z: 30 22.488 2.070 0.509 0.540 0.862 0.621 CB 1.491 30 residues pruned to eliminate duplicates Z: 12 3.995 1.439 0.699 0.225 0.636 0.273 CB 1.068 Z: 11 4.635 1.505 0.337 0.354 0.800 0.500 N 1.066 Z: 12 18.780 1.927 0.737 0.901 0.909 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 37.101 2.315 1.264 0.899 0.917 0.750 CA 1.593 13 residues pruned to eliminate duplicates Z: 20 33.485 2.027 0.687 0.899 1.000 0.895 CB 1.606 20 residues pruned to eliminate duplicates Z: 11 5.743 1.878 0.579 0.209 0.700 0.400 CB 1.234 Z: 11 15.372 1.780 0.562 0.868 1.000 0.800 CB 1.278 11 residues pruned to eliminate duplicates Z: 54 45.758 2.182 0.645 0.762 0.906 0.811 CA 1.532 54 residues pruned to eliminate duplicates Z: 17 12.113 1.846 0.344 0.508 0.938 0.562 CB 1.292 19 residues pruned to eliminate duplicates Z: 13 12.577 1.759 0.451 0.807 1.000 0.417 CB 1.088 13 residues pruned to eliminate duplicates Z: 7 4.290 1.813 0.294 0.622 0.833 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 9 4.525 1.427 0.593 0.581 1.000 0.750 CB 0.651 Z: 29 22.856 2.113 0.670 0.542 0.893 0.571 CB 1.315 29 residues pruned to eliminate duplicates Z: 8 12.825 1.805 0.461 0.783 1.000 1.000 CA 1.433 8 residues pruned to eliminate duplicates Z: 6 2.355 1.516 0.666 0.289 0.400 0.400 CA 1.321 Z: 6 3.257 1.723 0.041 0.281 1.000 0.600 CB 1.040 Z: 30 39.022 1.967 0.957 0.912 0.966 0.483 CB 1.380 30 residues pruned to eliminate duplicates Z: 11 7.637 1.739 0.186 0.555 0.900 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 20 31.064 2.099 1.029 0.916 0.947 0.632 CB 1.248 20 residues pruned to eliminate duplicates Z: 9 17.130 2.003 0.815 0.826 0.875 0.375 CA 1.435 9 residues pruned to eliminate duplicates Z: 6 4.885 1.346 1.047 0.760 1.000 0.400 CB 0.629 Z: 16 21.569 2.007 0.696 0.721 0.867 0.467 CA 1.547 16 residues pruned to eliminate duplicates Z: 62 42.691 2.191 0.667 0.529 0.902 0.689 CB 1.612 62 residues pruned to eliminate duplicates Z: 37 23.734 1.936 0.494 0.557 0.889 0.639 CB 1.456 37 residues pruned to eliminate duplicates Z: 14 5.576 1.698 0.202 0.258 0.846 0.538 CB 1.181 16 residues pruned to eliminate duplicates Z: 18 19.066 2.294 0.475 0.406 0.941 0.412 CA 1.603 18 residues pruned to eliminate duplicates Z: 22 20.355 2.002 0.377 0.703 0.952 0.762 CB 1.407 17 residues pruned to eliminate duplicates Z: 9 8.371 1.577 0.737 0.778 0.750 0.500 CB 1.127 9 residues pruned to eliminate duplicates Z: 27 24.615 1.976 0.786 0.648 0.923 0.500 CB 1.291 28 residues pruned to eliminate duplicates Z: 11 15.468 1.753 0.600 0.714 1.000 0.500 O 1.438 11 residues pruned to eliminate duplicates Z: 17 12.219 1.589 0.710 0.838 0.812 0.375 CB 1.034 17 residues pruned to eliminate duplicates Z: 20 20.316 1.991 0.467 0.754 0.842 0.684 CB 1.511 20 residues pruned to eliminate duplicates Z: 15 17.573 1.990 0.526 0.684 0.857 0.429 CB 1.524 15 residues pruned to eliminate duplicates Z: 6 6.130 1.364 0.522 0.691 1.000 0.400 N 1.109 Z: 10 12.434 2.164 0.657 0.435 0.778 0.667 CA 1.590 10 residues pruned to eliminate duplicates 6 1.764 1.240 0.231 0.225 0.800 0.400 CB 0.890 ? Z: 7 3.583 1.565 0.677 0.212 0.667 0.167 N 1.174 Z: 17 11.963 1.674 0.561 0.838 1.000 0.438 CB 0.856 17 residues pruned to eliminate duplicates Z: 22 15.548 1.820 0.436 0.590 0.952 0.762 CB 1.251 20 residues pruned to eliminate duplicates Z: 15 12.020 1.780 0.414 0.576 1.000 0.571 CB 1.186 14 residues pruned to eliminate duplicates Z: 10 5.858 1.520 0.161 0.815 0.889 0.556 CB 0.947 Z: 6 7.104 1.835 0.171 0.848 1.000 0.800 CB 1.097 6 residues pruned to eliminate duplicates Z: 16 19.708 2.037 0.607 0.752 0.933 0.333 CB 1.331 16 residues pruned to eliminate duplicates Z: 10 11.374 1.842 0.466 0.765 1.000 1.000 CB 1.110 9 residues pruned to eliminate duplicates Z: 7 5.161 1.504 0.805 0.537 0.833 0.667 CB 0.898 Z: 12 13.135 1.678 0.476 0.824 0.909 0.545 CB 1.329 12 residues pruned to eliminate duplicates Z: 15 29.371 1.970 0.736 0.926 1.000 0.500 CB 1.609 15 residues pruned to eliminate duplicates Z: 9 3.968 1.373 0.360 0.484 0.750 0.625 CB 1.018 Z: 31 35.789 1.939 0.937 0.917 0.900 0.433 CB 1.364 31 residues pruned to eliminate duplicates Z: 12 19.714 1.733 0.775 0.886 1.000 0.727 CB 1.395 12 residues pruned to eliminate duplicates Z: 6 3.098 1.360 0.252 0.451 0.800 0.400 N 1.070 Z: 17 19.381 1.818 0.640 0.837 0.938 0.625 CB 1.297 17 residues pruned to eliminate duplicates Z: 15 7.896 1.749 0.382 0.378 0.857 0.571 CB 1.160 9 residues pruned to eliminate duplicates Z: 22 17.795 1.720 0.405 0.907 0.952 0.810 CB 1.199 22 residues pruned to eliminate duplicates Z: 10 13.309 1.707 0.564 0.825 1.000 0.889 O 1.254 10 residues pruned to eliminate duplicates Z: 13 16.594 2.190 0.561 0.699 0.833 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 9 19.629 1.915 0.811 0.907 1.000 0.750 CB 1.422 10 residues pruned to eliminate duplicates Z: 10 6.044 1.647 0.217 0.526 0.889 0.333 CB 1.103 Z: 6 2.346 1.200 0.312 0.461 1.000 0.800 N 0.693 Z: 6 5.781 1.604 0.930 0.394 1.000 0.600 CB 0.934 Z: 14 23.911 1.949 0.756 0.930 1.000 0.846 CB 1.355 14 residues pruned to eliminate duplicates Z: 10 7.650 1.414 0.673 0.843 0.889 0.556 CB 0.904 9 residues pruned to eliminate duplicates Z: 6 3.343 1.357 0.529 0.744 1.000 0.800 N 0.579 Z: 15 10.953 1.646 0.469 0.538 1.000 0.643 CB 1.166 14 residues pruned to eliminate duplicates Z: 6 3.078 1.615 0.565 0.235 0.800 0.600 C 0.926 Z: 9 4.120 1.280 1.242 0.356 0.875 0.625 CB 0.678 7 1.566 1.147 0.718 0.402 0.500 0.500 CA 0.720 ? Z: 24 22.135 1.781 0.818 0.895 1.000 0.522 CB 1.022 25 residues pruned to eliminate duplicates Z: 14 18.228 1.883 0.464 0.796 0.923 0.615 CA 1.533 14 residues pruned to eliminate duplicates Z: 18 15.893 1.721 0.651 0.682 0.882 0.471 CA 1.301 18 residues pruned to eliminate duplicates Z: 18 14.836 1.953 0.405 0.649 0.824 0.588 CB 1.387 18 residues pruned to eliminate duplicates Z: 24 23.624 2.054 0.674 0.626 0.870 0.478 CB 1.462 24 residues pruned to eliminate duplicates Z: 27 38.133 2.215 0.998 0.898 0.923 0.385 CB 1.309 27 residues pruned to eliminate duplicates Z: 30 43.440 2.142 0.704 0.909 1.000 0.690 CA 1.569 30 residues pruned to eliminate duplicates Z: 15 9.250 1.734 0.855 0.357 0.714 0.643 CB 1.254 11 residues pruned to eliminate duplicates Z: 22 19.965 1.936 0.621 0.633 0.857 0.667 CB 1.430 22 residues pruned to eliminate duplicates Z: 9 15.655 1.918 0.406 0.859 1.000 1.000 CB 1.509 9 residues pruned to eliminate duplicates Z: 33 14.503 2.018 0.402 0.339 0.781 0.406 CB 1.383 33 residues pruned to eliminate duplicates Z: 9 5.816 1.724 0.188 0.789 0.875 0.375 CB 0.890 9 residues pruned to eliminate duplicates Z: 6 2.256 1.442 0.345 0.297 0.800 0.600 N 0.815 Z: 20 13.594 2.153 0.227 0.462 0.842 0.684 CB 1.457 20 residues pruned to eliminate duplicates Z: 18 11.420 1.797 0.530 0.453 0.882 0.588 CB 1.198 18 residues pruned to eliminate duplicates Z: 7 3.876 1.798 0.090 0.541 0.833 0.667 CB 0.931 Z: 18 16.516 1.765 0.343 0.910 1.000 0.882 CB 1.199 18 residues pruned to eliminate duplicates Z: 23 23.656 1.811 0.825 0.925 0.909 0.818 CB 1.178 23 residues pruned to eliminate duplicates Z: 13 16.367 2.268 0.260 0.649 0.917 0.917 CB 1.569 13 residues pruned to eliminate duplicates Z: 46 25.360 1.945 0.593 0.554 0.778 0.578 CB 1.488 46 residues pruned to eliminate duplicates Z: 8 15.588 2.040 0.703 0.712 1.000 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 9 15.642 1.833 0.523 0.866 1.000 0.625 CB 1.451 9 residues pruned to eliminate duplicates Z: 14 7.083 1.785 0.288 0.438 0.923 0.538 CB 0.987 14 residues pruned to eliminate duplicates Z: 25 21.049 2.035 0.483 0.625 0.958 0.417 CB 1.320 25 residues pruned to eliminate duplicates Z: 15 14.121 1.873 0.934 0.641 0.857 0.429 CB 1.065 15 residues pruned to eliminate duplicates Z: 39 25.794 1.913 0.771 0.673 0.921 0.447 CB 1.144 39 residues pruned to eliminate duplicates Z: 12 4.602 1.493 0.506 0.309 0.636 0.364 N 1.199 6 1.795 1.483 -0.377 0.359 1.000 0.800 CB 1.012 ? Z: 7 2.021 1.354 0.438 0.242 0.667 0.333 CB 0.856 Z: 25 20.534 2.020 0.827 0.692 0.750 0.500 CB 1.270 25 residues pruned to eliminate duplicates Z: 15 23.495 1.942 0.678 0.895 0.857 0.500 CA 1.612 15 residues pruned to eliminate duplicates Z: 15 13.659 2.050 0.624 0.510 0.929 0.429 CB 1.170 15 residues pruned to eliminate duplicates Z: 54 30.402 1.978 0.896 0.580 0.887 0.396 CB 1.162 92 residues pruned to eliminate duplicates Z: 18 13.896 1.777 0.670 0.443 0.882 0.529 CB 1.365 16 residues pruned to eliminate duplicates Z: 6 4.836 1.444 0.608 0.458 1.000 0.400 CB 0.972 Z: 43 20.611 1.946 0.490 0.426 0.881 0.500 CB 1.344 43 residues pruned to eliminate duplicates Z: 41 56.033 2.234 1.098 0.746 0.950 0.800 CA 1.597 41 residues pruned to eliminate duplicates Z: 13 19.128 2.121 0.622 0.820 0.917 0.417 CB 1.326 13 residues pruned to eliminate duplicates Z: 22 20.077 2.001 0.545 0.480 0.952 0.524 CB 1.519 19 residues pruned to eliminate duplicates Z: 51 41.109 2.018 0.586 0.764 0.960 0.820 CA 1.496 51 residues pruned to eliminate duplicates Z: 6 3.539 1.458 0.087 0.614 1.000 0.800 CB 0.896 Z: 8 19.864 1.909 0.869 0.891 1.000 0.571 CB 1.513 8 residues pruned to eliminate duplicates Z: 16 30.433 1.998 0.690 0.935 1.000 0.733 CA 1.622 16 residues pruned to eliminate duplicates Z: 8 2.219 1.584 0.267 0.152 0.714 0.429 CB 0.898 8 residues pruned to eliminate duplicates Z: 10 6.957 1.866 0.581 0.377 0.667 0.444 CA 1.345 10 residues pruned to eliminate duplicates Z: 14 3.834 1.397 0.100 0.362 0.769 0.385 N 1.044 Z: 26 15.832 2.039 0.485 0.380 0.840 0.600 CB 1.414 28 residues pruned to eliminate duplicates Z: 7 10.661 2.007 0.621 0.667 1.000 0.833 CB 1.146 7 residues pruned to eliminate duplicates Z: 36 21.763 2.153 0.584 0.361 0.886 0.543 CB 1.415 36 residues pruned to eliminate duplicates Z: 46 30.094 2.013 0.776 0.597 0.933 0.467 CB 1.226 46 residues pruned to eliminate duplicates Z: 12 9.478 1.408 0.611 0.871 1.000 0.727 CB 0.919 Z: 11 4.935 1.608 -0.176 0.878 0.900 0.900 CB 0.949 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 43 23.558 2.003 0.569 0.462 0.905 0.595 CB 1.329 47 residues pruned to eliminate duplicates Z: 6 3.827 1.684 0.468 0.354 1.000 0.800 CA 0.811 Z: 6 10.251 1.981 0.743 0.333 1.000 0.800 CA 1.595 6 residues pruned to eliminate duplicates Z: 16 12.952 1.814 0.430 0.588 0.933 0.600 CB 1.269 16 residues pruned to eliminate duplicates Z: 6 2.328 1.544 0.309 0.633 1.000 0.600 CB 0.455 6 residues pruned to eliminate duplicates Z: 16 13.313 1.845 0.520 0.571 1.000 0.733 CB 1.144 15 residues pruned to eliminate duplicates Z: 6 3.301 1.652 0.101 0.294 0.800 0.600 CA 1.278 6 residues pruned to eliminate duplicates Z: 8 9.077 1.989 0.519 0.658 1.000 0.429 CB 0.980 8 residues pruned to eliminate duplicates Z: 8 9.660 1.937 0.386 0.756 0.857 0.714 CB 1.263 7 residues pruned to eliminate duplicates Z: 10 11.845 1.804 0.401 0.734 0.889 0.667 CB 1.424 10 residues pruned to eliminate duplicates Z: 12 10.678 1.791 0.533 0.514 0.909 0.545 CB 1.271 12 residues pruned to eliminate duplicates Z: 10 10.704 1.898 0.511 0.712 0.889 0.556 CB 1.155 8 residues pruned to eliminate duplicates Z: 7 10.996 2.026 0.279 0.847 1.000 0.667 CB 1.286 9 residues pruned to eliminate duplicates Z: 10 7.710 1.804 0.449 0.763 0.889 0.667 CB 0.875 10 residues pruned to eliminate duplicates Z: 32 24.853 2.064 0.698 0.477 0.935 0.452 CB 1.394 41 residues pruned to eliminate duplicates Z: 31 16.759 1.981 0.482 0.452 0.867 0.500 CB 1.264 31 residues pruned to eliminate duplicates Z: 6 3.172 1.422 0.652 0.466 1.000 0.600 CB 0.625 Z: 6 3.455 1.449 0.333 0.312 1.000 0.400 N 0.986 6 residues pruned to eliminate duplicates Z: 7 3.342 1.636 0.359 0.374 0.667 0.500 O 1.053 7 residues pruned to eliminate duplicates Z: 13 9.382 1.670 0.506 0.496 0.917 0.667 CB 1.179 13 residues pruned to eliminate duplicates Z: 14 7.211 1.705 0.388 0.434 0.769 0.615 CB 1.177 13 residues pruned to eliminate duplicates Z: 6 2.459 1.065 0.746 0.471 0.800 0.400 C 0.762 Z: 7 6.022 1.720 0.851 0.328 1.000 0.667 CB 0.932 10 residues pruned to eliminate duplicates Z: 11 3.909 1.534 -0.006 0.491 0.700 0.400 N 1.168 Z: 6 3.928 1.587 0.312 0.271 0.800 0.600 CA 1.369 6 residues pruned to eliminate duplicates Z: 16 8.784 1.819 0.422 0.458 1.000 0.467 CB 0.916 16 residues pruned to eliminate duplicates Z: 12 12.231 1.834 0.739 0.398 0.909 0.545 N 1.416 12 residues pruned to eliminate duplicates Z: 11 9.868 1.899 0.774 0.491 0.900 0.700 CB 1.038 11 residues pruned to eliminate duplicates Z: 12 8.528 1.785 0.560 0.528 0.818 0.273 CB 1.098 12 residues pruned to eliminate duplicates Z: 35 29.485 1.923 0.613 0.750 0.912 0.618 CB 1.431 36 residues pruned to eliminate duplicates Z: 9 11.713 1.684 0.542 0.880 1.000 0.875 CB 1.155 9 residues pruned to eliminate duplicates Z: 10 12.925 1.899 0.642 0.767 0.778 0.667 CB 1.403 11 residues pruned to eliminate duplicates Z: 11 14.126 1.638 0.812 0.753 1.000 0.600 CB 1.201 10 residues pruned to eliminate duplicates Z: 9 8.846 1.675 0.747 0.750 0.875 0.625 CB 0.977 9 residues pruned to eliminate duplicates Z: 29 31.356 2.049 0.597 0.803 0.929 0.643 CB 1.497 29 residues pruned to eliminate duplicates Z: 35 38.289 2.037 0.755 0.796 0.941 0.765 CB 1.507 35 residues pruned to eliminate duplicates Z: 37 32.672 1.940 0.742 0.724 0.944 0.667 CB 1.394 37 residues pruned to eliminate duplicates Z: 35 38.846 2.067 0.760 0.797 0.941 0.735 CB 1.501 35 residues pruned to eliminate duplicates Z: 35 35.406 2.009 0.672 0.796 0.941 0.735 CB 1.482 35 residues pruned to eliminate duplicates Z: 34 46.142 2.078 0.866 0.842 1.000 0.788 CB 1.544 34 residues pruned to eliminate duplicates Z: 27 34.854 2.115 0.861 0.773 0.923 0.692 CB 1.478 27 residues pruned to eliminate duplicates Z: 30 32.387 2.023 0.740 0.752 0.931 0.655 CB 1.466 30 residues pruned to eliminate duplicates Z: 31 39.586 2.074 0.869 0.758 0.967 0.667 CB 1.533 34 residues pruned to eliminate duplicates Z: 30 31.859 1.953 0.442 0.900 0.966 0.793 CB 1.554 30 residues pruned to eliminate duplicates Z: 31 36.641 2.034 0.895 0.740 1.000 0.500 CB 1.400 31 residues pruned to eliminate duplicates Z: 34 36.359 2.055 0.671 0.798 0.970 0.667 CB 1.465 33 residues pruned to eliminate duplicates Z: 22 31.427 2.085 0.595 0.913 1.000 0.524 CB 1.460 22 residues pruned to eliminate duplicates Z: 31 30.147 2.023 0.716 0.721 0.900 0.467 CB 1.443 31 residues pruned to eliminate duplicates Z: 27 31.542 1.989 0.608 0.934 0.962 0.731 CB 1.403 27 residues pruned to eliminate duplicates Z: 31 40.517 2.063 0.974 0.769 0.967 0.467 CB 1.481 32 residues pruned to eliminate duplicates Z: 28 35.709 1.985 0.761 0.931 1.000 0.519 CB 1.374 28 residues pruned to eliminate duplicates Z: 36 32.569 1.923 1.012 0.718 0.914 0.514 CB 1.278 36 residues pruned to eliminate duplicates Z: 37 29.473 1.961 0.824 0.768 0.889 0.528 CB 1.219 37 residues pruned to eliminate duplicates Z: 39 30.914 1.946 0.815 0.758 0.868 0.368 CB 1.300 39 residues pruned to eliminate duplicates Z: 38 36.907 1.962 0.936 0.834 0.892 0.486 CB 1.343 38 residues pruned to eliminate duplicates Z: 38 36.477 1.974 0.941 0.806 0.919 0.432 CB 1.305 38 residues pruned to eliminate duplicates Z: 40 38.244 1.968 0.979 0.792 0.923 0.487 CB 1.319 38 residues pruned to eliminate duplicates Z: 15 20.622 1.738 0.873 0.882 0.929 0.286 CB 1.319 14 residues pruned to eliminate duplicates Z: 30 37.079 1.954 0.875 0.910 0.966 0.483 CB 1.380 30 residues pruned to eliminate duplicates Z: 35 39.281 2.004 1.112 0.823 0.941 0.353 CB 1.278 35 residues pruned to eliminate duplicates Z: 40 39.666 1.974 1.018 0.825 0.923 0.462 CB 1.304 40 residues pruned to eliminate duplicates Z: 43 26.009 1.845 0.828 0.656 0.857 0.333 CB 1.200 43 residues pruned to eliminate duplicates Z: 20 27.855 1.905 0.924 0.848 0.947 0.368 CB 1.365 20 residues pruned to eliminate duplicates Z: 39 36.897 1.957 0.968 0.815 0.921 0.368 CB 1.284 39 residues pruned to eliminate duplicates Z: 23 22.866 1.814 0.966 0.717 0.909 0.409 CB 1.236 23 residues pruned to eliminate duplicates Z: 8 7.940 1.831 0.294 0.519 0.857 0.714 CB 1.450 10 residues pruned to eliminate duplicates Z: 6 3.062 1.737 0.029 0.546 0.600 0.200 CB 1.220 6 residues pruned to eliminate duplicates Z: 14 8.139 1.733 0.299 0.431 0.923 0.692 CB 1.166 13 residues pruned to eliminate duplicates Z: 6 9.762 1.730 0.337 0.841 1.000 0.800 CB 1.408 5 residues pruned to eliminate duplicates Z: 21 18.779 1.791 0.518 0.793 0.950 0.700 CB 1.257 27 residues pruned to eliminate duplicates Z: 27 23.303 2.011 0.503 0.629 0.962 0.731 CB 1.393 27 residues pruned to eliminate duplicates Z: 28 25.338 1.998 0.761 0.579 0.926 0.556 CB 1.387 26 residues pruned to eliminate duplicates Z: 14 19.005 1.932 0.489 0.865 0.923 0.308 CB 1.454 14 residues pruned to eliminate duplicates Z: 29 19.864 1.934 0.602 0.615 0.893 0.536 CB 1.217 29 residues pruned to eliminate duplicates Z: 29 13.680 1.835 0.491 0.573 0.857 0.393 CB 1.027 29 residues pruned to eliminate duplicates Z: 26 22.718 2.046 0.711 0.646 0.920 0.440 CB 1.231 26 residues pruned to eliminate duplicates Z: 30 20.997 1.951 0.611 0.540 0.931 0.448 CB 1.282 43 residues pruned to eliminate duplicates Z: 26 20.203 2.025 0.608 0.646 0.880 0.600 CB 1.231 26 residues pruned to eliminate duplicates Z: 6 7.012 1.639 0.936 0.323 1.000 0.600 CA 1.201 6 residues pruned to eliminate duplicates Z: 27 22.741 2.007 0.601 0.628 0.923 0.500 CB 1.332 27 residues pruned to eliminate duplicates Z: 26 23.870 2.043 0.636 0.629 0.960 0.680 CB 1.317 26 residues pruned to eliminate duplicates Z: 26 23.473 1.999 0.773 0.641 0.920 0.480 CB 1.262 26 residues pruned to eliminate duplicates Z: 25 22.789 2.048 0.516 0.627 0.958 0.542 CB 1.387 25 residues pruned to eliminate duplicates Z: 28 24.069 1.994 0.662 0.629 0.926 0.704 CB 1.337 28 residues pruned to eliminate duplicates Z: 28 22.393 1.983 0.712 0.596 0.889 0.556 CB 1.303 28 residues pruned to eliminate duplicates Z: 27 23.868 2.020 0.608 0.630 0.923 0.538 CB 1.382 27 residues pruned to eliminate duplicates Z: 28 15.050 1.799 0.554 0.470 0.852 0.333 CB 1.254 28 residues pruned to eliminate duplicates Z: 40 26.503 1.972 0.582 0.622 0.897 0.615 CB 1.350 39 residues pruned to eliminate duplicates Z: 24 21.743 1.716 0.394 0.858 1.000 0.783 CB 1.396 24 residues pruned to eliminate duplicates Z: 27 19.838 1.706 0.492 0.733 0.923 0.731 CB 1.343 27 residues pruned to eliminate duplicates Z: 16 21.368 1.900 0.602 0.749 1.000 0.600 CB 1.451 16 residues pruned to eliminate duplicates Z: 18 18.485 1.755 0.591 0.842 0.882 0.588 CB 1.356 18 residues pruned to eliminate duplicates Z: 16 17.892 1.881 0.551 0.722 0.867 0.667 CB 1.494 16 residues pruned to eliminate duplicates Z: 23 18.227 1.784 0.440 0.859 0.955 0.727 CB 1.166 23 residues pruned to eliminate duplicates Z: 18 15.139 1.806 0.380 0.690 0.882 0.647 CA 1.403 18 residues pruned to eliminate duplicates Z: 16 17.409 1.876 0.470 0.787 1.000 0.800 CB 1.267 16 residues pruned to eliminate duplicates Z: 16 19.676 1.830 0.585 0.745 0.933 0.533 CA 1.507 16 residues pruned to eliminate duplicates Z: 16 20.737 1.861 0.509 0.783 1.000 0.667 CA 1.486 16 residues pruned to eliminate duplicates Z: 17 17.125 1.858 0.459 0.692 0.938 0.750 CA 1.413 17 residues pruned to eliminate duplicates Z: 15 19.328 1.922 0.498 0.844 1.000 0.714 CB 1.335 15 residues pruned to eliminate duplicates Z: 15 17.476 1.943 0.325 0.856 1.000 0.857 CB 1.337 15 residues pruned to eliminate duplicates Z: 15 19.236 1.935 0.473 0.825 1.000 0.714 CB 1.362 15 residues pruned to eliminate duplicates Z: 16 20.147 1.913 0.672 0.780 0.933 0.933 CB 1.361 16 residues pruned to eliminate duplicates Z: 19 23.538 1.857 0.948 0.654 0.944 0.500 CB 1.407 19 residues pruned to eliminate duplicates Z: 20 19.843 1.796 0.680 0.624 0.947 0.474 CB 1.416 20 residues pruned to eliminate duplicates Z: 11 10.799 1.812 0.712 0.801 0.800 0.600 CB 1.058 11 residues pruned to eliminate duplicates Z: 15 8.200 1.787 0.170 0.459 0.929 0.500 CB 1.177 8 residues pruned to eliminate duplicates Z: 11 16.437 1.867 0.750 0.835 1.000 0.700 CB 1.192 11 residues pruned to eliminate duplicates Z: 13 11.539 1.847 0.787 0.678 0.833 0.333 CB 1.028 13 residues pruned to eliminate duplicates Z: 11 14.454 2.072 0.886 0.715 0.800 0.400 CB 1.203 11 residues pruned to eliminate duplicates Z: 13 16.238 1.932 0.865 0.765 0.917 0.500 CB 1.121 13 residues pruned to eliminate duplicates Z: 10 10.354 2.059 0.732 0.895 0.778 0.111 CB 0.892 10 residues pruned to eliminate duplicates Z: 10 14.991 2.069 0.867 0.898 0.889 0.444 CB 1.041 10 residues pruned to eliminate duplicates Z: 12 16.410 1.927 0.659 0.791 1.000 0.273 CB 1.199 12 residues pruned to eliminate duplicates Z: 14 11.164 1.830 0.654 0.688 0.923 0.462 CB 0.933 14 residues pruned to eliminate duplicates Z: 42 24.922 2.176 0.530 0.417 0.829 0.366 CB 1.538 42 residues pruned to eliminate duplicates Z: 44 23.830 2.156 0.513 0.371 0.837 0.302 CB 1.527 44 residues pruned to eliminate duplicates Z: 39 26.052 2.252 0.486 0.472 0.842 0.421 CB 1.543 39 residues pruned to eliminate duplicates Z: 23 19.169 2.119 0.475 0.472 0.864 0.409 CB 1.558 23 residues pruned to eliminate duplicates Z: 43 27.278 2.204 0.525 0.422 0.881 0.548 CB 1.542 43 residues pruned to eliminate duplicates Z: 82 51.618 2.206 0.821 0.562 0.889 0.654 CB 1.512 82 residues pruned to eliminate duplicates Z: 44 22.225 2.151 0.391 0.385 0.860 0.395 CB 1.487 44 residues pruned to eliminate duplicates Z: 26 17.466 2.052 0.380 0.485 0.880 0.520 CB 1.423 26 residues pruned to eliminate duplicates Z: 89 53.741 2.204 0.726 0.591 0.898 0.636 CB 1.537 89 residues pruned to eliminate duplicates Z: 80 51.751 2.263 0.643 0.531 0.937 0.570 CB 1.622 80 residues pruned to eliminate duplicates Z: 43 24.835 2.173 0.501 0.420 0.905 0.476 CB 1.410 43 residues pruned to eliminate duplicates Z: 39 24.270 2.213 0.630 0.430 0.789 0.368 CB 1.486 39 residues pruned to eliminate duplicates Z: 79 47.681 2.254 0.572 0.521 0.910 0.513 CB 1.639 79 residues pruned to eliminate duplicates Z: 38 23.720 2.224 0.546 0.440 0.784 0.405 CB 1.540 38 residues pruned to eliminate duplicates Z: 22 19.907 2.205 0.425 0.568 0.810 0.476 CB 1.600 22 residues pruned to eliminate duplicates Z: 86 50.591 2.206 0.671 0.573 0.941 0.588 CB 1.474 86 residues pruned to eliminate duplicates Z: 82 45.986 2.190 0.602 0.556 0.901 0.543 CB 1.531 82 residues pruned to eliminate duplicates Z: 38 29.287 2.276 0.570 0.494 0.865 0.568 CB 1.567 38 residues pruned to eliminate duplicates Z: 41 26.899 2.202 0.537 0.473 0.850 0.350 CB 1.519 41 residues pruned to eliminate duplicates Z: 87 45.742 2.202 0.572 0.577 0.860 0.686 CB 1.537 87 residues pruned to eliminate duplicates Z: 38 26.881 2.262 0.541 0.490 0.838 0.459 CB 1.529 38 residues pruned to eliminate duplicates Z: 92 56.142 2.219 0.639 0.584 0.923 0.593 CB 1.616 92 residues pruned to eliminate duplicates Z: 86 50.298 2.211 0.681 0.541 0.882 0.612 CB 1.598 86 residues pruned to eliminate duplicates Z: 81 52.268 2.277 0.661 0.552 0.887 0.600 CB 1.655 81 residues pruned to eliminate duplicates Z: 85 45.804 2.206 0.635 0.538 0.857 0.607 CB 1.557 85 residues pruned to eliminate duplicates Z: 62 44.368 2.235 0.662 0.528 0.902 0.590 CB 1.650 62 residues pruned to eliminate duplicates Z: 83 51.107 2.215 0.677 0.534 0.927 0.549 CB 1.586 83 residues pruned to eliminate duplicates Z: 84 52.750 2.171 0.788 0.510 0.952 0.566 CB 1.552 84 residues pruned to eliminate duplicates Z: 21 18.246 2.246 0.524 0.307 0.950 0.450 CB 1.555 21 residues pruned to eliminate duplicates Z: 39 25.351 2.083 0.540 0.524 0.921 0.553 CB 1.360 39 residues pruned to eliminate duplicates Z: 22 16.055 2.180 0.624 0.301 0.810 0.524 CB 1.526 22 residues pruned to eliminate duplicates Z: 66 54.359 2.291 0.717 0.564 0.954 0.662 CB 1.690 66 residues pruned to eliminate duplicates Z: 69 47.081 2.150 0.723 0.569 0.912 0.544 CB 1.581 69 residues pruned to eliminate duplicates Z: 29 16.647 2.037 0.587 0.255 0.964 0.429 CB 1.337 29 residues pruned to eliminate duplicates Z: 29 22.440 2.220 0.732 0.344 0.893 0.607 CB 1.463 29 residues pruned to eliminate duplicates Z: 57 48.643 2.277 0.836 0.520 0.911 0.643 CB 1.674 57 residues pruned to eliminate duplicates Z: 60 48.664 2.267 0.687 0.560 0.949 0.627 CB 1.646 60 residues pruned to eliminate duplicates Z: 60 47.647 2.216 0.810 0.505 0.949 0.644 CA 1.621 60 residues pruned to eliminate duplicates Z: 43 27.827 2.236 0.448 0.440 0.881 0.524 CB 1.600 43 residues pruned to eliminate duplicates Z: 72 42.269 2.168 0.641 0.490 0.901 0.620 CB 1.580 72 residues pruned to eliminate duplicates Z: 37 21.185 2.079 0.647 0.300 0.917 0.417 CB 1.405 37 residues pruned to eliminate duplicates Z: 61 51.171 2.249 0.772 0.561 0.950 0.617 CB 1.645 61 residues pruned to eliminate duplicates Z: 21 20.712 2.234 0.485 0.364 1.000 0.400 CA 1.615 21 residues pruned to eliminate duplicates Z: 62 43.914 2.223 0.612 0.535 0.918 0.656 CA 1.650 62 residues pruned to eliminate duplicates Z: 81 53.171 2.282 0.725 0.552 0.887 0.613 CB 1.617 81 residues pruned to eliminate duplicates Z: 44 39.495 2.189 0.678 0.665 0.884 0.721 CA 1.593 44 residues pruned to eliminate duplicates Z: 69 43.947 2.171 0.822 0.547 0.868 0.574 CB 1.483 69 residues pruned to eliminate duplicates Z: 44 43.133 2.202 0.690 0.659 0.953 0.698 CB 1.600 44 residues pruned to eliminate duplicates Z: 31 23.636 2.155 0.715 0.339 0.933 0.600 CB 1.492 31 residues pruned to eliminate duplicates Z: 8 7.488 2.144 0.290 0.563 0.857 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 12 10.423 2.149 0.606 0.473 0.727 0.545 CB 1.287 12 residues pruned to eliminate duplicates Z: 61 55.712 2.250 0.978 0.561 0.917 0.567 CB 1.662 61 residues pruned to eliminate duplicates Z: 70 56.942 2.197 0.912 0.606 0.913 0.638 CB 1.616 71 residues pruned to eliminate duplicates Z: 14 38.439 2.273 1.055 0.767 1.000 0.769 CA 1.802 14 residues pruned to eliminate duplicates Z: 92 51.972 2.180 0.724 0.549 0.890 0.571 CB 1.552 92 residues pruned to eliminate duplicates Z: 34 49.282 2.310 0.907 0.701 0.939 0.667 CB 1.727 34 residues pruned to eliminate duplicates Z: 52 43.163 2.256 0.850 0.512 0.902 0.510 CB 1.587 52 residues pruned to eliminate duplicates Z: 37 48.743 2.279 0.859 0.753 0.917 0.667 CB 1.669 37 residues pruned to eliminate duplicates Z: 37 51.980 2.257 1.064 0.721 0.917 0.611 CB 1.662 37 residues pruned to eliminate duplicates Z: 53 47.900 2.282 0.820 0.524 0.981 0.596 CB 1.593 53 residues pruned to eliminate duplicates Z: 66 47.108 2.198 0.764 0.519 0.938 0.554 CB 1.576 66 residues pruned to eliminate duplicates Z: 48 46.447 2.303 0.983 0.460 0.957 0.468 CB 1.615 48 residues pruned to eliminate duplicates Z: 59 46.377 2.263 0.814 0.503 0.897 0.483 CB 1.650 59 residues pruned to eliminate duplicates Z: 41 45.790 2.202 0.867 0.696 0.900 0.625 CA 1.635 41 residues pruned to eliminate duplicates Z: 37 45.368 2.266 0.994 0.687 0.861 0.583 CB 1.637 37 residues pruned to eliminate duplicates Z: 81 43.148 2.151 0.760 0.475 0.838 0.525 CB 1.560 81 residues pruned to eliminate duplicates Z: 33 39.932 2.234 0.933 0.637 0.875 0.594 CB 1.643 33 residues pruned to eliminate duplicates Z: 36 48.558 2.216 0.949 0.736 0.914 0.714 CB 1.681 36 residues pruned to eliminate duplicates Z: 42 40.143 2.131 0.714 0.694 0.878 0.537 CB 1.637 42 residues pruned to eliminate duplicates Z: 85 54.876 2.229 0.820 0.534 0.917 0.512 CB 1.558 85 residues pruned to eliminate duplicates Z: 74 44.956 2.146 0.704 0.509 0.945 0.562 CB 1.508 74 residues pruned to eliminate duplicates Z: 39 33.878 2.108 0.859 0.635 0.789 0.500 CB 1.565 39 residues pruned to eliminate duplicates Z: 82 57.021 2.260 0.809 0.541 0.901 0.531 CB 1.652 82 residues pruned to eliminate duplicates Z: 36 45.906 2.264 0.958 0.716 0.886 0.771 CB 1.624 36 residues pruned to eliminate duplicates Z: 38 61.085 2.318 1.159 0.778 0.946 0.703 CB 1.660 38 residues pruned to eliminate duplicates Z: 59 59.508 2.305 1.033 0.576 0.948 0.517 CB 1.634 59 residues pruned to eliminate duplicates Z: 42 50.497 2.181 1.152 0.724 0.927 0.537 CB 1.481 42 residues pruned to eliminate duplicates Z: 70 56.793 2.213 0.915 0.626 0.942 0.652 CB 1.521 70 residues pruned to eliminate duplicates Z: 21 19.694 1.860 0.774 0.699 0.900 0.450 CB 1.236 19 residues pruned to eliminate duplicates Z: 28 40.945 2.042 0.961 0.911 0.963 0.556 CB 1.448 30 residues pruned to eliminate duplicates Z: 29 37.152 2.008 1.016 0.903 0.929 0.500 CB 1.332 28 residues pruned to eliminate duplicates Z: 16 21.027 1.860 0.896 0.802 0.867 0.333 CB 1.364 16 residues pruned to eliminate duplicates Z: 45 49.710 2.136 1.103 0.767 0.886 0.568 CB 1.485 45 residues pruned to eliminate duplicates Z: 49 49.123 2.154 1.068 0.758 0.854 0.458 CB 1.481 49 residues pruned to eliminate duplicates Z: 43 39.508 2.068 0.919 0.704 0.881 0.429 CB 1.449 43 residues pruned to eliminate duplicates Z: 19 24.479 1.940 0.939 0.791 0.889 0.556 CB 1.337 19 residues pruned to eliminate duplicates Z: 63 54.187 2.119 1.092 0.674 0.871 0.597 CB 1.518 63 residues pruned to eliminate duplicates Z: 18 19.370 1.824 0.693 0.864 0.941 0.588 CB 1.185 18 residues pruned to eliminate duplicates Z: 91 60.213 2.213 0.859 0.592 0.933 0.456 CB 1.513 91 residues pruned to eliminate duplicates Z: 72 55.454 2.178 0.907 0.593 0.972 0.493 CB 1.492 72 residues pruned to eliminate duplicates Z: 30 38.477 2.040 1.105 0.826 0.931 0.448 CB 1.348 30 residues pruned to eliminate duplicates Z: 46 50.919 2.150 1.047 0.789 0.911 0.511 CB 1.468 46 residues pruned to eliminate duplicates Z: 21 17.016 1.815 0.450 0.703 0.900 0.500 CA 1.335 21 residues pruned to eliminate duplicates Z: 13 13.935 1.869 0.314 0.753 0.833 0.750 N 1.568 13 residues pruned to eliminate duplicates Z: 16 19.216 1.952 0.531 0.727 0.933 0.733 CB 1.449 20 residues pruned to eliminate duplicates Z: 16 21.043 1.822 0.597 0.846 1.000 0.800 CA 1.387 16 residues pruned to eliminate duplicates Z: 15 15.591 1.944 0.603 0.592 0.857 0.643 CB 1.429 14 residues pruned to eliminate duplicates Z: 16 23.252 1.852 0.665 0.809 1.000 0.733 CA 1.487 16 residues pruned to eliminate duplicates Z: 14 18.198 1.986 0.509 0.695 1.000 0.615 CB 1.409 13 residues pruned to eliminate duplicates Z: 15 19.353 1.950 0.395 0.849 1.000 0.714 CA 1.410 15 residues pruned to eliminate duplicates Z: 19 14.989 1.853 0.467 0.576 0.889 0.778 CB 1.358 19 residues pruned to eliminate duplicates Z: 18 18.710 1.897 0.480 0.756 0.941 0.706 CB 1.368 18 residues pruned to eliminate duplicates Z: 19 19.829 1.875 0.603 0.761 0.944 0.611 CB 1.305 19 residues pruned to eliminate duplicates Z: 20 18.573 1.870 0.623 0.682 0.842 0.737 CA 1.410 20 residues pruned to eliminate duplicates Z: 20 16.851 1.868 0.739 0.711 0.842 0.684 CB 1.167 20 residues pruned to eliminate duplicates Z: 16 22.975 1.959 0.675 0.864 1.000 0.733 CB 1.325 16 residues pruned to eliminate duplicates Z: 16 22.690 1.932 0.810 0.840 1.000 0.533 CB 1.250 15 residues pruned to eliminate duplicates Z: 15 23.056 1.985 0.534 0.892 1.000 0.714 CA 1.454 15 residues pruned to eliminate duplicates Z: 22 16.553 1.780 0.560 0.626 0.952 0.524 CB 1.212 21 residues pruned to eliminate duplicates Z: 17 21.234 1.809 0.597 0.890 1.000 0.938 CB 1.322 17 residues pruned to eliminate duplicates Z: 9 13.983 1.727 0.631 0.732 1.000 0.875 CB 1.424 11 residues pruned to eliminate duplicates Z: 9 13.564 1.681 0.638 0.858 1.000 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 8 14.277 1.752 0.656 0.881 1.000 0.857 CB 1.347 8 residues pruned to eliminate duplicates Z: 10 8.642 1.656 0.629 0.628 0.778 0.778 CB 1.218 10 residues pruned to eliminate duplicates Z: 14 9.283 1.566 0.724 0.479 0.923 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 10 10.009 1.665 0.653 0.604 0.889 0.556 CB 1.235 10 residues pruned to eliminate duplicates Z: 9 10.259 1.727 0.551 0.766 0.875 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 11 5.669 1.413 0.523 0.285 0.900 0.200 CB 1.179 11 residues pruned to eliminate duplicates Z: 12 10.886 1.699 0.202 0.806 0.909 0.636 CB 1.353 12 residues pruned to eliminate duplicates Z: 14 10.342 1.636 0.207 0.687 1.000 0.462 CB 1.223 13 residues pruned to eliminate duplicates Z: 11 9.467 1.673 0.308 0.840 0.900 0.500 CB 1.134 11 residues pruned to eliminate duplicates Z: 12 8.532 1.692 0.299 0.604 0.909 0.636 CB 1.166 12 residues pruned to eliminate duplicates Z: 16 8.549 1.635 0.363 0.448 0.867 0.533 CB 1.205 16 residues pruned to eliminate duplicates Z: 12 5.719 1.605 0.250 0.373 0.818 0.545 CB 1.203 12 residues pruned to eliminate duplicates Z: 15 8.293 1.610 0.205 0.577 0.929 0.571 CB 1.143 15 residues pruned to eliminate duplicates Z: 10 5.393 1.591 0.204 0.446 0.778 0.556 CB 1.275 10 residues pruned to eliminate duplicates Z: 14 9.453 1.598 0.464 0.557 0.923 0.538 CB 1.149 14 residues pruned to eliminate duplicates Z: 9 9.084 1.756 0.185 0.761 1.000 0.500 CB 1.223 10 residues pruned to eliminate duplicates Z: 18 20.237 1.923 0.372 0.808 0.941 0.765 CB 1.511 18 residues pruned to eliminate duplicates Z: 24 19.970 2.012 0.404 0.662 0.957 0.652 CB 1.327 24 residues pruned to eliminate duplicates Z: 19 22.937 1.886 0.426 0.870 1.000 0.889 CB 1.467 20 residues pruned to eliminate duplicates Z: 18 26.494 1.996 0.480 0.885 1.000 0.765 CB 1.570 18 residues pruned to eliminate duplicates Z: 17 22.049 2.028 0.428 0.835 0.938 0.750 CB 1.521 17 residues pruned to eliminate duplicates Z: 23 22.296 1.978 0.408 0.694 1.000 0.682 CB 1.429 24 residues pruned to eliminate duplicates Z: 18 17.992 1.933 0.205 0.864 1.000 0.882 CB 1.374 18 residues pruned to eliminate duplicates Z: 24 22.530 1.970 0.485 0.697 0.913 0.609 CB 1.470 24 residues pruned to eliminate duplicates Z: 18 25.745 1.991 0.615 0.844 0.941 0.588 CB 1.534 18 residues pruned to eliminate duplicates Z: 24 22.143 2.000 0.504 0.656 0.870 0.565 CB 1.527 24 residues pruned to eliminate duplicates Z: 24 20.592 1.997 0.595 0.654 0.870 0.652 CB 1.343 24 residues pruned to eliminate duplicates Z: 23 26.491 1.943 0.522 0.771 1.000 0.818 CB 1.502 24 residues pruned to eliminate duplicates Z: 18 25.527 1.931 0.623 0.863 0.941 0.412 CB 1.540 18 residues pruned to eliminate duplicates Z: 22 18.115 2.003 0.358 0.625 0.857 0.714 CB 1.508 22 residues pruned to eliminate duplicates Z: 26 27.075 1.946 0.637 0.709 0.960 0.680 CB 1.464 22 residues pruned to eliminate duplicates Z: 21 23.204 1.979 0.474 0.794 0.900 0.800 CB 1.527 21 residues pruned to eliminate duplicates Z: 25 19.242 1.928 0.423 0.683 0.917 0.792 CB 1.320 25 residues pruned to eliminate duplicates Z: 23 22.366 2.008 0.421 0.701 0.955 0.682 CB 1.457 23 residues pruned to eliminate duplicates Z: 38 28.532 1.956 0.459 0.702 0.973 0.757 CB 1.405 54 residues pruned to eliminate duplicates Z: 6 6.233 1.556 0.593 0.526 1.000 0.600 CA 1.096 6 residues pruned to eliminate duplicates Z: 24 21.073 1.971 0.420 0.693 0.913 0.652 CB 1.441 24 residues pruned to eliminate duplicates Z: 29 29.041 2.205 0.769 0.524 0.893 0.464 CB 1.538 29 residues pruned to eliminate duplicates Z: 36 24.696 2.059 0.690 0.488 0.857 0.486 CB 1.416 36 residues pruned to eliminate duplicates Z: 31 25.914 2.147 0.521 0.552 0.900 0.467 CB 1.531 31 residues pruned to eliminate duplicates Z: 25 19.715 2.137 0.584 0.431 0.875 0.625 CB 1.460 25 residues pruned to eliminate duplicates Z: 30 26.888 2.181 0.602 0.532 0.931 0.621 CB 1.488 30 residues pruned to eliminate duplicates Z: 17 12.897 2.069 0.511 0.433 0.812 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 26 11.606 2.026 0.369 0.367 0.840 0.480 CB 1.149 26 residues pruned to eliminate duplicates Z: 26 18.763 2.175 0.354 0.511 0.880 0.440 CB 1.433 26 residues pruned to eliminate duplicates Z: 27 19.903 2.169 0.571 0.475 0.808 0.462 CB 1.454 27 residues pruned to eliminate duplicates Z: 28 18.816 2.064 0.468 0.426 0.889 0.519 CB 1.452 28 residues pruned to eliminate duplicates Z: 25 15.402 2.168 0.487 0.511 0.708 0.458 CB 1.361 25 residues pruned to eliminate duplicates Z: 28 22.907 2.114 0.635 0.477 0.889 0.481 CB 1.470 28 residues pruned to eliminate duplicates Z: 17 17.668 2.087 0.628 0.476 0.938 0.312 CB 1.421 17 residues pruned to eliminate duplicates Z: 28 15.064 2.095 0.471 0.376 0.815 0.370 CB 1.319 28 residues pruned to eliminate duplicates Z: 20 15.106 1.964 0.612 0.552 0.842 0.474 CB 1.236 20 residues pruned to eliminate duplicates Z: 73 40.612 2.158 0.549 0.613 0.861 0.653 CB 1.494 73 residues pruned to eliminate duplicates Z: 19 13.591 2.056 0.589 0.368 0.833 0.556 CB 1.356 19 residues pruned to eliminate duplicates Z: 29 16.598 2.093 0.617 0.400 0.821 0.393 CB 1.254 29 residues pruned to eliminate duplicates Z: 14 11.350 1.910 0.416 0.464 0.846 0.462 CB 1.427 14 residues pruned to eliminate duplicates Z: 20 15.474 2.006 0.427 0.441 0.947 0.737 CB 1.390 20 residues pruned to eliminate duplicates Z: 26 18.436 2.189 0.425 0.424 0.840 0.480 CB 1.522 26 residues pruned to eliminate duplicates Z: 30 17.509 2.095 0.463 0.460 0.828 0.586 CB 1.335 30 residues pruned to eliminate duplicates Z: 32 18.621 2.020 0.460 0.390 0.903 0.452 CB 1.411 32 residues pruned to eliminate duplicates Z: 18 15.037 2.016 0.501 0.466 0.824 0.706 CB 1.514 18 residues pruned to eliminate duplicates Z: 34 22.076 2.057 0.438 0.618 0.818 0.515 CB 1.421 34 residues pruned to eliminate duplicates Z: 12 18.518 2.186 0.637 0.760 0.909 0.455 CB 1.361 Z: 13 25.210 2.021 0.691 0.884 1.000 0.833 CA 1.539 12 residues pruned to eliminate duplicates Z: 13 26.005 2.046 0.638 0.905 1.000 0.833 CA 1.594 13 residues pruned to eliminate duplicates Z: 13 25.642 1.995 0.719 0.866 1.000 0.667 CA 1.581 13 residues pruned to eliminate duplicates Z: 13 19.126 2.122 0.775 0.741 0.833 0.667 CB 1.418 13 residues pruned to eliminate duplicates Z: 28 29.917 2.143 0.631 0.676 0.963 0.778 CB 1.455 28 residues pruned to eliminate duplicates Z: 40 25.382 2.022 0.579 0.549 0.872 0.590 CB 1.392 53 residues pruned to eliminate duplicates Z: 36 28.752 2.098 0.548 0.623 0.943 0.571 CB 1.413 36 residues pruned to eliminate duplicates Z: 56 31.619 2.114 0.608 0.481 0.891 0.455 CB 1.435 56 residues pruned to eliminate duplicates Z: 28 27.359 2.135 0.509 0.677 0.926 0.630 CB 1.499 28 residues pruned to eliminate duplicates Z: 35 27.617 2.102 0.513 0.620 0.941 0.647 CB 1.413 35 residues pruned to eliminate duplicates Z: 34 24.027 2.169 0.360 0.602 0.879 0.606 CB 1.463 34 residues pruned to eliminate duplicates Z: 51 30.210 2.133 0.518 0.524 0.900 0.540 CB 1.431 51 residues pruned to eliminate duplicates Z: 40 23.939 2.148 0.376 0.470 0.897 0.564 CB 1.490 40 residues pruned to eliminate duplicates Z: 61 27.975 2.097 0.475 0.482 0.867 0.533 CB 1.372 61 residues pruned to eliminate duplicates Z: 27 17.272 1.984 0.404 0.487 0.885 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 17 17.420 2.140 0.287 0.612 0.938 0.375 CB 1.516 17 residues pruned to eliminate duplicates Z: 25 22.770 2.163 0.374 0.645 0.917 0.542 CB 1.490 25 residues pruned to eliminate duplicates Z: 52 27.697 2.075 0.611 0.473 0.882 0.373 CB 1.352 52 residues pruned to eliminate duplicates Z: 90 45.704 2.157 0.629 0.547 0.910 0.539 CB 1.447 90 residues pruned to eliminate duplicates Z: 24 21.494 2.192 0.320 0.683 0.957 0.609 CB 1.369 24 residues pruned to eliminate duplicates Z: 17 13.193 1.844 0.660 0.512 0.875 0.312 CB 1.217 17 residues pruned to eliminate duplicates Z: 51 27.674 2.101 0.531 0.499 0.880 0.420 CB 1.385 51 residues pruned to eliminate duplicates Z: 40 22.097 2.084 0.473 0.405 0.872 0.564 CB 1.461 40 residues pruned to eliminate duplicates Z: 18 20.143 2.126 0.576 0.647 0.941 0.471 CB 1.350 18 residues pruned to eliminate duplicates Z: 40 26.308 2.129 0.579 0.470 0.872 0.538 CB 1.481 40 residues pruned to eliminate duplicates Z: 41 22.612 2.161 0.436 0.455 0.850 0.425 CB 1.419 41 residues pruned to eliminate duplicates Z: 37 25.575 2.103 0.723 0.487 0.889 0.333 CB 1.341 37 residues pruned to eliminate duplicates Z: 32 24.147 2.078 0.568 0.593 0.871 0.613 CB 1.399 32 residues pruned to eliminate duplicates Z: 64 51.355 2.236 0.888 0.557 0.921 0.540 CB 1.574 64 residues pruned to eliminate duplicates Z: 79 33.482 1.989 0.567 0.472 0.833 0.462 CB 1.501 156 residues pruned to eliminate duplicates Z: 18 15.686 2.153 0.484 0.349 0.941 0.353 CB 1.489 Z: 7 6.742 1.760 0.604 0.479 1.000 0.333 CA 0.996 7 residues pruned to eliminate duplicates Z: 81 52.815 2.169 0.692 0.618 0.938 0.700 CB 1.534 81 residues pruned to eliminate duplicates Z: 46 20.021 2.108 0.386 0.410 0.800 0.422 CB 1.403 22 residues pruned to eliminate duplicates Z: 13 10.738 1.781 0.503 0.563 0.833 0.500 CB 1.307 13 residues pruned to eliminate duplicates Z: 26 18.135 2.040 0.485 0.367 0.840 0.440 CA 1.644 27 residues pruned to eliminate duplicates Z: 9 17.656 1.902 1.075 0.697 0.875 0.500 CA 1.510 12 residues pruned to eliminate duplicates Z: 8 16.559 1.946 0.806 0.711 1.000 0.714 CA 1.470 8 residues pruned to eliminate duplicates Z: 27 18.533 1.920 0.752 0.342 0.962 0.500 CA 1.335 15 residues pruned to eliminate duplicates Z: 7 11.836 2.207 0.505 0.536 0.833 0.500 CB 1.685 7 residues pruned to eliminate duplicates Z: 17 19.130 2.122 0.583 0.425 0.938 0.625 CB 1.643 17 residues pruned to eliminate duplicates Z: 50 42.876 2.263 0.805 0.539 0.918 0.571 CB 1.571 50 residues pruned to eliminate duplicates Z: 17 16.308 2.091 0.485 0.359 1.000 0.500 CA 1.529 17 residues pruned to eliminate duplicates Z: 48 27.253 2.065 0.616 0.440 0.851 0.511 CB 1.489 42 residues pruned to eliminate duplicates Z: 6 13.781 1.985 0.861 0.624 1.000 0.800 CA 1.484 6 residues pruned to eliminate duplicates Z: 50 56.216 2.282 0.939 0.739 0.898 0.571 CB 1.631 50 residues pruned to eliminate duplicates Z: 41 61.679 2.351 0.962 0.782 0.975 0.725 CB 1.691 41 residues pruned to eliminate duplicates Z: 55 62.414 2.261 0.888 0.801 0.963 0.741 CB 1.588 55 residues pruned to eliminate duplicates Z: 40 59.374 2.322 0.982 0.765 1.000 0.744 CB 1.633 40 residues pruned to eliminate duplicates Z: 56 56.339 2.214 0.868 0.774 0.945 0.709 CB 1.526 56 residues pruned to eliminate duplicates Z: 40 61.329 2.326 1.035 0.746 1.000 0.718 CA 1.665 40 residues pruned to eliminate duplicates Z: 40 59.888 2.296 1.055 0.753 0.974 0.769 CA 1.665 40 residues pruned to eliminate duplicates Z: 38 49.802 2.344 0.888 0.735 0.892 0.649 CB 1.680 38 residues pruned to eliminate duplicates Z: 40 60.629 2.365 1.026 0.751 0.974 0.769 CB 1.663 40 residues pruned to eliminate duplicates Z: 51 47.496 2.146 0.929 0.662 0.960 0.660 CB 1.455 51 residues pruned to eliminate duplicates Z: 60 57.374 2.170 0.818 0.748 0.966 0.729 CB 1.570 60 residues pruned to eliminate duplicates Z: 32 51.453 2.334 1.192 0.695 0.903 0.613 CB 1.673 32 residues pruned to eliminate duplicates Z: 40 58.067 2.310 1.108 0.719 0.974 0.667 CB 1.608 40 residues pruned to eliminate duplicates Z: 43 63.164 2.346 1.031 0.773 0.952 0.738 CB 1.687 43 residues pruned to eliminate duplicates Z: 55 62.408 2.266 0.797 0.783 0.981 0.778 CA 1.656 55 residues pruned to eliminate duplicates Z: 44 51.093 2.276 0.882 0.717 0.907 0.767 CA 1.648 44 residues pruned to eliminate duplicates Z: 56 57.299 2.239 0.782 0.769 0.945 0.782 CB 1.614 56 residues pruned to eliminate duplicates Z: 47 65.994 2.295 1.015 0.792 0.978 0.630 CB 1.665 47 residues pruned to eliminate duplicates Z: 59 56.277 2.222 0.907 0.729 0.931 0.724 CB 1.524 59 residues pruned to eliminate duplicates Z: 31 55.514 2.375 1.226 0.665 1.000 0.600 CB 1.645 31 residues pruned to eliminate duplicates Z: 60 56.037 2.201 0.838 0.723 0.966 0.695 CB 1.526 60 residues pruned to eliminate duplicates Z: 42 66.318 2.351 1.232 0.768 0.927 0.488 CB 1.680 42 residues pruned to eliminate duplicates Z: 54 59.687 2.230 0.948 0.741 0.943 0.585 CB 1.612 54 residues pruned to eliminate duplicates Z: 44 64.278 2.317 0.989 0.801 0.953 0.674 CB 1.715 44 residues pruned to eliminate duplicates Z: 47 62.935 2.270 1.056 0.784 0.978 0.522 CB 1.582 47 residues pruned to eliminate duplicates Z: 58 59.877 2.146 0.999 0.733 0.947 0.491 CB 1.584 58 residues pruned to eliminate duplicates Z: 33 47.779 2.180 1.079 0.772 0.938 0.438 CB 1.563 33 residues pruned to eliminate duplicates Z: 33 34.907 2.056 0.758 0.816 0.875 0.531 CB 1.483 34 residues pruned to eliminate duplicates Z: 31 44.780 2.141 0.889 0.916 0.967 0.433 CB 1.476 31 residues pruned to eliminate duplicates Z: 27 24.777 2.020 0.472 0.772 0.885 0.615 CB 1.453 27 residues pruned to eliminate duplicates Z: 55 57.772 2.231 0.879 0.789 0.944 0.611 CB 1.541 55 residues pruned to eliminate duplicates Z: 56 63.340 2.222 1.131 0.736 0.945 0.491 CB 1.543 56 residues pruned to eliminate duplicates Z: 45 39.446 2.145 0.759 0.774 0.909 0.568 CB 1.362 44 residues pruned to eliminate duplicates Z: 20 36.837 2.067 0.998 0.921 0.895 0.474 CA 1.609 20 residues pruned to eliminate duplicates Z: 52 56.717 2.211 1.015 0.711 0.922 0.490 CB 1.597 52 residues pruned to eliminate duplicates Z: 26 25.998 1.975 0.607 0.763 0.920 0.440 CB 1.410 26 residues pruned to eliminate duplicates Z: 47 54.596 2.273 1.029 0.755 0.891 0.457 CB 1.560 47 residues pruned to eliminate duplicates Z: 54 66.067 2.278 1.023 0.787 0.981 0.585 CB 1.559 54 residues pruned to eliminate duplicates Z: 48 67.446 2.287 1.151 0.770 0.979 0.596 CB 1.609 48 residues pruned to eliminate duplicates Z: 55 57.970 2.183 1.014 0.746 0.944 0.574 CB 1.525 55 residues pruned to eliminate duplicates Z: 54 58.270 2.255 0.932 0.796 0.981 0.453 CB 1.445 54 residues pruned to eliminate duplicates Z: 33 25.157 2.028 0.615 0.739 0.812 0.500 CB 1.349 33 residues pruned to eliminate duplicates Z: 25 36.364 2.072 1.124 0.831 0.917 0.333 CB 1.383 25 residues pruned to eliminate duplicates Z: 25 26.624 2.057 0.600 0.796 0.958 0.417 CB 1.330 25 residues pruned to eliminate duplicates Z: 9 11.773 2.028 0.317 0.769 0.875 0.875 CA 1.403 9 residues pruned to eliminate duplicates Z: 9 12.711 2.001 0.532 0.826 0.875 0.500 CB 1.263 9 residues pruned to eliminate duplicates Z: 11 13.092 1.828 0.263 0.847 1.000 0.500 CB 1.331 9 residues pruned to eliminate duplicates Z: 27 26.281 1.848 0.656 0.803 0.923 0.462 CB 1.400 27 residues pruned to eliminate duplicates Z: 61 63.395 2.233 1.091 0.735 0.917 0.433 CB 1.548 61 residues pruned to eliminate duplicates Z: 47 57.212 2.255 1.120 0.795 0.935 0.391 CB 1.458 47 residues pruned to eliminate duplicates Z: 60 60.012 2.185 1.041 0.756 0.983 0.441 CB 1.419 60 residues pruned to eliminate duplicates Z: 58 60.176 2.194 1.009 0.785 1.000 0.526 CB 1.407 58 residues pruned to eliminate duplicates Z: 10 14.483 1.907 0.590 0.860 1.000 0.556 CB 1.171 10 residues pruned to eliminate duplicates Z: 9 8.588 1.816 0.392 0.502 0.875 0.500 CA 1.370 9 residues pruned to eliminate duplicates Z: 22 21.593 1.875 0.758 0.682 0.952 0.810 CB 1.270 14 residues pruned to eliminate duplicates Z: 14 23.259 1.865 0.742 0.836 0.923 0.846 N 1.611 14 residues pruned to eliminate duplicates Z: 14 19.256 1.925 0.376 0.817 1.000 0.769 N 1.531 14 residues pruned to eliminate duplicates Z: 20 17.624 1.839 0.486 0.663 0.947 0.842 CB 1.342 20 residues pruned to eliminate duplicates Z: 13 23.472 1.968 0.833 0.812 0.917 0.833 CA 1.561 13 residues pruned to eliminate duplicates Z: 14 19.252 1.813 0.890 0.830 0.846 0.692 N 1.385 14 residues pruned to eliminate duplicates Z: 19 13.267 1.855 0.740 0.549 0.722 0.389 CB 1.279 19 residues pruned to eliminate duplicates Z: 15 21.641 1.877 0.747 0.769 0.929 0.429 N 1.497 15 residues pruned to eliminate duplicates Z: 23 21.813 1.857 0.822 0.651 0.909 0.545 CB 1.313 23 residues pruned to eliminate duplicates Z: 13 23.824 1.889 1.051 0.882 0.917 0.333 CB 1.402 13 residues pruned to eliminate duplicates Z: 22 21.776 1.897 0.904 0.637 0.952 0.476 CB 1.215 22 residues pruned to eliminate duplicates Z: 13 9.010 1.677 0.631 0.542 0.917 0.667 CB 0.995 13 residues pruned to eliminate duplicates Z: 22 20.323 1.851 0.858 0.689 0.905 0.429 CB 1.199 22 residues pruned to eliminate duplicates Z: 25 18.541 1.777 0.653 0.589 0.958 0.708 CB 1.234 25 residues pruned to eliminate duplicates Z: 20 17.058 1.844 0.836 0.673 0.842 0.421 CB 1.171 20 residues pruned to eliminate duplicates Z: 18 12.169 1.746 0.514 0.457 0.941 0.471 CB 1.239 18 residues pruned to eliminate duplicates Z: 9 8.279 1.893 0.724 0.443 1.000 0.875 CB 0.951 9 residues pruned to eliminate duplicates Z: 11 10.596 1.628 0.121 0.894 1.000 0.800 O 1.317 11 residues pruned to eliminate duplicates Z: 16 11.853 1.734 0.110 0.819 0.933 0.867 CB 1.292 16 residues pruned to eliminate duplicates Z: 11 10.120 1.587 0.279 0.766 0.900 0.600 O 1.384 11 residues pruned to eliminate duplicates Z: 16 14.154 1.749 0.214 0.860 0.933 0.867 CB 1.356 16 residues pruned to eliminate duplicates Z: 15 14.358 1.761 0.307 0.829 0.929 0.786 CB 1.351 15 residues pruned to eliminate duplicates Z: 18 12.231 1.697 0.174 0.759 0.941 0.647 CB 1.257 18 residues pruned to eliminate duplicates Z: 17 11.036 1.703 0.271 0.704 0.938 0.625 CB 1.129 17 residues pruned to eliminate duplicates Z: 18 12.881 1.713 0.367 0.783 0.941 0.706 CB 1.105 18 residues pruned to eliminate duplicates Z: 19 15.114 1.686 0.431 0.751 1.000 0.667 CB 1.181 19 residues pruned to eliminate duplicates Z: 18 11.609 1.734 0.302 0.756 0.824 0.765 CB 1.205 18 residues pruned to eliminate duplicates Z: 21 14.686 1.710 0.564 0.655 0.900 0.550 CB 1.181 21 residues pruned to eliminate duplicates Z: 8 4.667 1.626 0.279 0.705 0.857 0.429 CB 0.821 8 residues pruned to eliminate duplicates Z: 8 5.926 1.683 0.357 0.610 0.857 0.571 CB 1.030 8 residues pruned to eliminate duplicates Z: 6 8.037 1.861 0.426 0.838 1.000 0.800 CB 1.012 6 residues pruned to eliminate duplicates Z: 13 14.141 1.797 0.601 0.727 1.000 0.750 CB 1.156 13 residues pruned to eliminate duplicates Z: 13 14.383 1.757 0.861 0.709 0.833 0.500 CB 1.260 13 residues pruned to eliminate duplicates Z: 12 18.193 1.780 0.871 0.863 1.000 0.636 CB 1.208 11 residues pruned to eliminate duplicates Z: 11 15.991 1.755 0.672 0.906 1.000 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 14 13.142 1.686 0.694 0.854 0.923 0.615 CB 1.021 14 residues pruned to eliminate duplicates Z: 8 4.551 1.551 0.430 0.532 0.714 0.143 O 1.052 8 residues pruned to eliminate duplicates Z: 7 8.469 1.744 0.742 0.420 1.000 0.333 CB 1.238 7 residues pruned to eliminate duplicates Z: 11 15.458 1.955 0.754 0.607 0.900 0.800 CB 1.431 11 residues pruned to eliminate duplicates Z: 18 13.499 1.862 0.592 0.518 0.824 0.529 CB 1.318 20 residues pruned to eliminate duplicates Z: 10 13.561 1.774 0.661 0.787 1.000 0.444 CB 1.192 10 residues pruned to eliminate duplicates Z: 14 16.749 2.015 0.711 0.511 1.000 0.462 CB 1.333 14 residues pruned to eliminate duplicates Z: 18 14.953 1.885 0.714 0.514 0.882 0.294 CB 1.255 18 residues pruned to eliminate duplicates Z: 22 11.431 1.738 0.680 0.371 0.810 0.429 CB 1.211 22 residues pruned to eliminate duplicates Z: 12 18.962 2.097 0.875 0.643 0.818 0.636 CB 1.555 13 residues pruned to eliminate duplicates Z: 9 16.650 1.879 0.749 0.867 1.000 0.375 CB 1.310 8 residues pruned to eliminate duplicates Z: 10 15.267 1.775 0.731 0.880 1.000 0.444 CB 1.201 9 residues pruned to eliminate duplicates Z: 9 19.955 1.954 0.812 0.887 1.000 0.750 CB 1.438 9 residues pruned to eliminate duplicates Z: 9 10.118 1.872 0.756 0.489 0.875 0.625 CB 1.258 10 residues pruned to eliminate duplicates Z: 8 10.005 1.714 0.608 0.857 1.000 0.429 CB 1.011 7 residues pruned to eliminate duplicates Z: 9 9.060 1.904 0.596 0.628 1.000 0.625 CB 0.935 9 residues pruned to eliminate duplicates Z: 8 11.049 2.014 0.671 0.719 1.000 0.429 CB 1.018 8 residues pruned to eliminate duplicates Z: 6 7.747 1.890 0.360 0.437 1.000 0.600 CB 1.438 6 residues pruned to eliminate duplicates Z: 24 16.784 2.025 0.605 0.456 0.870 0.652 CB 1.295 24 residues pruned to eliminate duplicates Z: 23 17.318 2.002 0.739 0.469 0.864 0.545 CB 1.268 23 residues pruned to eliminate duplicates Z: 23 13.176 2.066 0.422 0.469 0.727 0.500 CB 1.358 23 residues pruned to eliminate duplicates Z: 64 32.614 1.991 0.495 0.566 0.937 0.667 CB 1.383 64 residues pruned to eliminate duplicates Z: 38 22.377 2.009 0.557 0.547 0.892 0.568 CB 1.259 38 residues pruned to eliminate duplicates Z: 24 16.862 2.034 0.473 0.476 0.957 0.652 CB 1.257 24 residues pruned to eliminate duplicates Z: 23 14.327 2.035 0.631 0.406 0.773 0.500 CB 1.315 23 residues pruned to eliminate duplicates Z: 64 30.874 1.981 0.532 0.559 0.921 0.683 CB 1.315 64 residues pruned to eliminate duplicates Z: 8 9.340 1.626 0.851 0.511 0.857 0.714 CA 1.353 8 residues pruned to eliminate duplicates Z: 64 34.857 2.004 0.596 0.560 0.921 0.714 CB 1.407 64 residues pruned to eliminate duplicates Z: 65 33.887 1.988 0.605 0.559 0.938 0.656 CB 1.338 65 residues pruned to eliminate duplicates Z: 58 30.010 2.032 0.487 0.508 0.912 0.614 CB 1.430 58 residues pruned to eliminate duplicates Z: 42 29.740 1.997 0.585 0.640 0.951 0.732 CB 1.354 42 residues pruned to eliminate duplicates Z: 64 34.265 2.035 0.554 0.583 0.921 0.667 CB 1.369 64 residues pruned to eliminate duplicates Z: 64 32.075 2.002 0.526 0.557 0.937 0.540 CB 1.336 64 residues pruned to eliminate duplicates Z: 40 31.673 1.971 0.600 0.596 0.974 0.641 CB 1.506 40 residues pruned to eliminate duplicates Z: 65 33.244 1.995 0.581 0.584 0.922 0.609 CB 1.319 65 residues pruned to eliminate duplicates Z: 13 21.566 1.901 0.776 0.815 1.000 0.833 CB 1.402 13 residues pruned to eliminate duplicates Z: 41 30.405 1.980 0.624 0.633 0.925 0.750 CB 1.426 41 residues pruned to eliminate duplicates Z: 63 32.525 2.031 0.616 0.560 0.887 0.629 CB 1.339 63 residues pruned to eliminate duplicates Z: 18 25.783 2.015 0.817 0.766 0.941 0.706 CB 1.433 18 residues pruned to eliminate duplicates Z: 61 28.553 2.022 0.605 0.523 0.867 0.667 CB 1.281 61 residues pruned to eliminate duplicates Z: 41 32.297 1.975 0.600 0.624 0.975 0.675 CB 1.474 41 residues pruned to eliminate duplicates Z: 41 32.821 1.991 0.660 0.631 0.975 0.675 CB 1.423 41 residues pruned to eliminate duplicates Z: 43 31.302 1.973 0.526 0.689 1.000 0.762 CB 1.349 43 residues pruned to eliminate duplicates Z: 66 35.346 2.010 0.562 0.608 0.938 0.677 CB 1.343 67 residues pruned to eliminate duplicates Z: 11 22.280 2.054 0.758 0.898 1.000 0.700 CB 1.395 11 residues pruned to eliminate duplicates Z: 66 31.939 2.008 0.594 0.581 0.877 0.662 CB 1.306 66 residues pruned to eliminate duplicates Z: 33 27.203 1.967 0.596 0.613 0.938 0.625 CB 1.467 33 residues pruned to eliminate duplicates Z: 41 33.263 1.993 0.710 0.644 0.950 0.675 CB 1.419 41 residues pruned to eliminate duplicates Z: 40 29.982 2.017 0.613 0.644 0.949 0.692 CB 1.360 40 residues pruned to eliminate duplicates Z: 50 25.548 1.915 0.545 0.500 0.918 0.551 CB 1.342 35 residues pruned to eliminate duplicates Z: 7 3.698 1.697 0.247 0.391 0.833 0.667 CB 0.961 7 residues pruned to eliminate duplicates Z: 40 34.986 2.036 0.678 0.636 0.974 0.718 CB 1.482 40 residues pruned to eliminate duplicates Z: 40 34.201 2.027 0.668 0.691 1.000 0.718 CB 1.360 40 residues pruned to eliminate duplicates Z: 28 28.901 2.064 0.854 0.644 0.926 0.556 CB 1.372 28 residues pruned to eliminate duplicates Z: 43 31.886 1.971 0.619 0.617 0.976 0.643 CB 1.415 43 residues pruned to eliminate duplicates Z: 64 32.973 2.012 0.532 0.573 0.921 0.683 CB 1.365 64 residues pruned to eliminate duplicates Z: 34 25.552 1.979 0.465 0.593 0.939 0.667 CB 1.494 34 residues pruned to eliminate duplicates Z: 44 32.355 1.936 0.630 0.689 0.977 0.581 CB 1.347 44 residues pruned to eliminate duplicates Z: 44 31.766 1.957 0.657 0.693 0.953 0.651 CB 1.313 44 residues pruned to eliminate duplicates Z: 42 32.144 1.982 0.586 0.671 1.000 0.707 CB 1.364 42 residues pruned to eliminate duplicates Z: 12 15.020 1.860 0.366 0.734 1.000 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 38 23.336 1.899 0.510 0.584 0.919 0.784 CB 1.344 38 residues pruned to eliminate duplicates Z: 41 33.291 1.976 0.704 0.676 0.975 0.625 CB 1.363 41 residues pruned to eliminate duplicates Z: 40 34.664 2.008 0.596 0.682 1.000 0.821 CB 1.466 40 residues pruned to eliminate duplicates Z: 42 30.318 1.974 0.510 0.676 0.951 0.756 CB 1.419 42 residues pruned to eliminate duplicates Z: 13 17.029 1.812 0.493 0.825 1.000 0.833 CB 1.371 13 residues pruned to eliminate duplicates Z: 13 17.325 1.753 0.642 0.800 1.000 0.750 CB 1.336 13 residues pruned to eliminate duplicates Z: 64 35.544 2.018 0.663 0.578 0.921 0.635 CB 1.345 64 residues pruned to eliminate duplicates Z: 40 35.259 1.999 0.628 0.634 1.000 0.615 CB 1.530 40 residues pruned to eliminate duplicates Z: 38 26.948 2.022 0.460 0.633 0.892 0.703 CB 1.485 38 residues pruned to eliminate duplicates Z: 36 29.343 2.058 0.395 0.657 0.943 0.714 CB 1.584 36 residues pruned to eliminate duplicates Z: 17 21.252 1.910 0.433 0.806 1.000 0.750 CA 1.487 17 residues pruned to eliminate duplicates Z: 33 22.085 1.936 0.579 0.567 0.875 0.625 CB 1.368 33 residues pruned to eliminate duplicates Z: 16 20.005 1.964 0.381 0.893 0.933 0.800 CB 1.464 16 residues pruned to eliminate duplicates Z: 38 26.628 2.002 0.381 0.594 0.919 0.649 CB 1.575 38 residues pruned to eliminate duplicates Z: 25 25.179 2.050 0.534 0.637 0.958 0.625 CB 1.499 25 residues pruned to eliminate duplicates Z: 26 19.074 1.941 0.315 0.544 0.920 0.560 CB 1.556 26 residues pruned to eliminate duplicates Z: 26 23.947 2.005 0.511 0.599 0.920 0.680 CB 1.564 25 residues pruned to eliminate duplicates Z: 16 24.406 1.954 0.691 0.858 0.933 0.733 CB 1.504 16 residues pruned to eliminate duplicates Z: 42 21.728 1.901 0.300 0.522 0.927 0.561 CB 1.450 42 residues pruned to eliminate duplicates Z: 38 24.990 2.002 0.351 0.612 0.919 0.649 CB 1.486 38 residues pruned to eliminate duplicates Z: 36 28.181 1.992 0.500 0.588 0.943 0.657 CB 1.554 36 residues pruned to eliminate duplicates Z: 27 25.022 1.962 0.535 0.561 1.000 0.654 CB 1.536 27 residues pruned to eliminate duplicates Z: 6 10.812 1.948 0.451 0.551 1.000 0.800 CB 1.628 6 residues pruned to eliminate duplicates Z: 38 26.406 2.001 0.425 0.635 0.892 0.676 CB 1.504 38 residues pruned to eliminate duplicates Z: 25 24.046 2.048 0.517 0.637 0.875 0.667 CB 1.589 25 residues pruned to eliminate duplicates Z: 26 23.864 1.953 0.609 0.597 0.920 0.640 CB 1.505 26 residues pruned to eliminate duplicates Z: 7 9.097 1.810 0.776 0.452 1.000 0.500 CA 1.213 7 residues pruned to eliminate duplicates Z: 38 26.777 2.001 0.476 0.605 0.892 0.676 CB 1.512 38 residues pruned to eliminate duplicates Z: 29 22.938 1.987 0.500 0.549 0.893 0.536 CA 1.553 29 residues pruned to eliminate duplicates Z: 39 28.610 1.978 0.483 0.624 0.947 0.553 CB 1.486 39 residues pruned to eliminate duplicates Z: 24 20.093 2.002 0.471 0.594 0.870 0.565 CB 1.496 24 residues pruned to eliminate duplicates Z: 38 27.821 1.995 0.497 0.638 0.919 0.676 CB 1.466 38 residues pruned to eliminate duplicates Z: 37 28.475 1.996 0.517 0.639 0.917 0.611 CB 1.501 37 residues pruned to eliminate duplicates Z: 37 29.244 2.026 0.426 0.678 0.944 0.639 CB 1.518 37 residues pruned to eliminate duplicates Z: 40 22.110 1.944 0.383 0.602 0.846 0.641 CB 1.413 40 residues pruned to eliminate duplicates Z: 17 11.095 1.942 0.251 0.586 0.812 0.625 CB 1.295 17 residues pruned to eliminate duplicates Z: 16 13.807 1.922 0.348 0.627 0.867 0.667 CB 1.409 16 residues pruned to eliminate duplicates Z: 16 18.828 1.927 0.593 0.702 0.933 0.600 CB 1.411 16 residues pruned to eliminate duplicates Z: 11 14.831 2.054 0.083 0.865 1.000 0.800 CA 1.545 11 residues pruned to eliminate duplicates Z: 15 18.255 1.937 0.532 0.687 1.000 0.786 CB 1.385 15 residues pruned to eliminate duplicates Z: 16 14.935 1.922 0.358 0.667 0.933 0.733 CB 1.356 16 residues pruned to eliminate duplicates Z: 14 15.603 1.938 0.427 0.625 0.923 0.692 CB 1.507 14 residues pruned to eliminate duplicates Z: 17 13.602 1.830 0.584 0.586 0.812 0.562 CB 1.330 17 residues pruned to eliminate duplicates Z: 17 25.176 1.997 0.602 0.755 1.000 0.750 CB 1.568 17 residues pruned to eliminate duplicates Z: 18 23.499 2.020 0.524 0.727 0.941 0.647 CB 1.602 18 residues pruned to eliminate duplicates Z: 14 9.126 1.917 0.191 0.649 0.846 0.462 CB 1.140 14 residues pruned to eliminate duplicates Z: 18 20.753 1.972 0.640 0.731 0.824 0.471 CB 1.536 18 residues pruned to eliminate duplicates Z: 17 22.785 1.997 0.517 0.787 0.938 0.625 CB 1.558 17 residues pruned to eliminate duplicates Z: 20 11.546 1.681 0.459 0.487 0.895 0.316 CB 1.224 20 residues pruned to eliminate duplicates Z: 19 18.228 2.001 0.518 0.708 0.778 0.667 CB 1.506 19 residues pruned to eliminate duplicates Z: 19 21.747 1.977 0.790 0.749 0.778 0.556 CB 1.491 19 residues pruned to eliminate duplicates Z: 19 24.056 2.042 0.726 0.705 0.889 0.500 CB 1.502 19 residues pruned to eliminate duplicates Z: 19 20.264 1.950 0.653 0.675 0.833 0.333 CB 1.514 19 residues pruned to eliminate duplicates Z: 17 26.616 2.112 0.507 0.827 0.938 0.688 CB 1.681 17 residues pruned to eliminate duplicates Z: 20 21.875 1.975 0.675 0.666 0.895 0.474 CB 1.454 20 residues pruned to eliminate duplicates Z: 19 21.282 1.972 0.593 0.726 0.833 0.500 CB 1.564 19 residues pruned to eliminate duplicates Z: 14 29.823 2.110 0.674 0.923 1.000 0.692 CB 1.645 14 residues pruned to eliminate duplicates Z: 19 22.607 1.978 0.584 0.726 0.889 0.611 CB 1.560 19 residues pruned to eliminate duplicates Z: 19 23.233 1.969 0.698 0.755 0.889 0.389 CB 1.468 19 residues pruned to eliminate duplicates Z: 24 9.937 1.802 0.313 0.398 0.783 0.522 CB 1.246 24 residues pruned to eliminate duplicates Z: 6 6.763 1.688 0.523 0.531 0.800 0.800 CB 1.427 6 residues pruned to eliminate duplicates Z: 31 20.734 2.098 0.547 0.402 0.900 0.633 CB 1.437 31 residues pruned to eliminate duplicates Z: 12 16.341 2.011 0.448 0.742 1.000 0.727 CA 1.362 12 residues pruned to eliminate duplicates Z: 51 31.025 2.099 0.678 0.484 0.940 0.460 CB 1.347 82 residues pruned to eliminate duplicates Z: 8 18.370 1.976 0.722 0.871 1.000 0.857 CA 1.488 8 residues pruned to eliminate duplicates Z: 26 25.265 2.111 0.740 0.568 0.920 0.520 CB 1.400 26 residues pruned to eliminate duplicates Z: 27 22.884 2.037 0.823 0.445 0.885 0.538 CB 1.446 27 residues pruned to eliminate duplicates Z: 26 17.927 2.032 0.504 0.465 0.840 0.480 CB 1.447 26 residues pruned to eliminate duplicates Z: 28 22.077 2.079 0.613 0.505 0.852 0.630 CB 1.480 28 residues pruned to eliminate duplicates Z: 28 23.572 2.028 0.745 0.554 0.889 0.630 CB 1.368 28 residues pruned to eliminate duplicates Z: 32 23.275 2.111 0.604 0.458 0.871 0.484 CB 1.479 32 residues pruned to eliminate duplicates Z: 27 24.208 2.119 0.687 0.511 0.885 0.692 CB 1.484 27 residues pruned to eliminate duplicates Z: 30 21.310 1.978 0.503 0.525 0.897 0.552 CB 1.449 30 residues pruned to eliminate duplicates Z: 32 25.365 2.107 0.714 0.455 0.935 0.516 CB 1.412 32 residues pruned to eliminate duplicates Z: 20 9.428 1.896 0.420 0.260 0.789 0.368 CB 1.338 20 residues pruned to eliminate duplicates Z: 42 23.865 2.072 0.539 0.459 0.878 0.561 CB 1.388 42 residues pruned to eliminate duplicates Z: 28 21.292 2.075 0.685 0.526 0.926 0.593 CB 1.233 28 residues pruned to eliminate duplicates Z: 36 20.812 2.040 0.530 0.402 0.914 0.600 CB 1.366 36 residues pruned to eliminate duplicates Z: 28 18.122 2.063 0.590 0.416 0.852 0.481 CB 1.363 28 residues pruned to eliminate duplicates Z: 42 19.605 2.120 0.568 0.376 0.780 0.463 CB 1.347 42 residues pruned to eliminate duplicates Z: 43 20.991 2.100 0.573 0.389 0.881 0.548 CB 1.252 43 residues pruned to eliminate duplicates Z: 44 25.639 2.149 0.570 0.451 0.837 0.465 CB 1.456 44 residues pruned to eliminate duplicates Z: 35 14.120 1.926 0.566 0.316 0.824 0.324 CB 1.195 28 residues pruned to eliminate duplicates Z: 12 14.325 1.938 0.661 0.605 0.727 0.455 C 1.670 12 residues pruned to eliminate duplicates Z: 36 19.356 2.033 0.627 0.455 0.857 0.457 CB 1.208 36 residues pruned to eliminate duplicates Z: 50 28.020 2.156 0.569 0.435 0.918 0.510 CB 1.378 50 residues pruned to eliminate duplicates Z: 22 17.348 2.128 0.760 0.503 0.810 0.571 CB 1.245 22 residues pruned to eliminate duplicates Z: 67 26.722 1.962 0.550 0.459 0.864 0.485 CB 1.305 80 residues pruned to eliminate duplicates Z: 9 20.546 2.023 0.594 0.788 1.000 0.375 CB 1.749 9 residues pruned to eliminate duplicates Z: 32 21.805 2.133 0.767 0.446 0.871 0.516 CB 1.261 32 residues pruned to eliminate duplicates Z: 54 26.727 2.059 0.698 0.458 0.849 0.528 CB 1.291 54 residues pruned to eliminate duplicates Z: 38 19.090 2.113 0.727 0.367 0.838 0.514 CB 1.184 38 residues pruned to eliminate duplicates Z: 46 25.119 2.086 0.756 0.455 0.778 0.444 CB 1.376 46 residues pruned to eliminate duplicates Z: 45 22.390 2.137 0.617 0.423 0.818 0.523 CB 1.294 45 residues pruned to eliminate duplicates Z: 48 28.437 2.108 0.676 0.507 0.894 0.532 CB 1.305 48 residues pruned to eliminate duplicates Z: 25 22.920 2.168 0.865 0.473 0.917 0.458 CB 1.298 25 residues pruned to eliminate duplicates Z: 56 25.422 2.100 0.513 0.445 0.855 0.527 CB 1.336 56 residues pruned to eliminate duplicates Z: 23 18.040 2.147 0.682 0.460 0.864 0.500 CB 1.285 23 residues pruned to eliminate duplicates Z: 43 31.254 2.162 0.773 0.484 0.857 0.405 CB 1.491 43 residues pruned to eliminate duplicates Z: 43 25.330 2.121 0.629 0.498 0.833 0.476 CB 1.360 43 residues pruned to eliminate duplicates Z: 32 23.308 2.107 0.805 0.438 0.839 0.645 CB 1.399 32 residues pruned to eliminate duplicates Z: 35 18.273 2.109 0.629 0.423 0.794 0.500 CB 1.244 35 residues pruned to eliminate duplicates Z: 46 20.485 2.044 0.707 0.366 0.778 0.444 CB 1.300 46 residues pruned to eliminate duplicates Z: 10 12.147 2.168 0.308 0.615 0.889 0.778 CB 1.440 12 residues pruned to eliminate duplicates Z: 6 3.223 1.465 0.838 0.408 1.000 0.800 CA 0.590 Z: 16 20.217 2.073 0.345 0.793 1.000 0.800 CB 1.448 16 residues pruned to eliminate duplicates Z: 43 28.088 1.940 0.557 0.675 0.881 0.667 CB 1.386 43 residues pruned to eliminate duplicates Z: 17 16.460 1.996 0.292 0.726 0.938 0.750 CA 1.389 17 residues pruned to eliminate duplicates Z: 41 29.166 2.000 0.571 0.645 0.925 0.725 CB 1.386 41 residues pruned to eliminate duplicates Z: 73 37.729 1.982 0.547 0.621 0.931 0.639 CB 1.390 49 residues pruned to eliminate duplicates Z: 23 30.140 2.021 0.546 0.892 0.955 0.727 CB 1.547 23 residues pruned to eliminate duplicates Z: 39 34.083 2.055 0.624 0.720 0.947 0.763 CB 1.433 39 residues pruned to eliminate duplicates Z: 39 29.768 2.000 0.629 0.695 0.921 0.632 CB 1.347 39 residues pruned to eliminate duplicates Z: 41 30.163 1.939 0.608 0.679 0.950 0.775 CB 1.366 41 residues pruned to eliminate duplicates Z: 39 35.454 2.056 0.652 0.696 0.947 0.526 CB 1.495 39 residues pruned to eliminate duplicates Z: 38 30.035 2.021 0.677 0.697 0.865 0.622 CB 1.406 38 residues pruned to eliminate duplicates Z: 30 27.374 1.995 0.725 0.716 0.862 0.552 CB 1.409 30 residues pruned to eliminate duplicates Z: 34 31.296 1.986 0.720 0.729 0.939 0.758 CB 1.381 34 residues pruned to eliminate duplicates Z: 37 29.644 2.041 0.664 0.715 0.889 0.667 CB 1.347 37 residues pruned to eliminate duplicates Z: 60 36.098 1.976 0.718 0.625 0.915 0.525 CB 1.344 60 residues pruned to eliminate duplicates Z: 22 30.340 2.122 0.747 0.926 0.905 0.810 CB 1.384 22 residues pruned to eliminate duplicates Z: 66 34.577 1.994 0.626 0.628 0.908 0.523 CB 1.291 66 residues pruned to eliminate duplicates Z: 26 35.461 2.084 0.806 0.799 1.000 0.560 CB 1.450 26 residues pruned to eliminate duplicates Z: 27 26.600 2.050 0.764 0.750 0.808 0.538 CB 1.428 27 residues pruned to eliminate duplicates Z: 38 37.849 2.043 0.801 0.712 0.973 0.595 CB 1.434 38 residues pruned to eliminate duplicates Z: 40 33.083 2.056 0.713 0.717 0.923 0.615 CB 1.339 40 residues pruned to eliminate duplicates Z: 39 36.059 2.057 0.763 0.734 0.974 0.553 CB 1.342 39 residues pruned to eliminate duplicates Z: 39 29.934 2.055 0.786 0.711 0.816 0.579 CB 1.339 39 residues pruned to eliminate duplicates Z: 38 37.198 2.070 0.831 0.755 0.973 0.676 CB 1.321 38 residues pruned to eliminate duplicates Z: 39 37.144 2.069 0.830 0.709 0.947 0.553 CB 1.389 39 residues pruned to eliminate duplicates Z: 15 16.502 2.041 0.616 0.577 0.929 0.643 CB 1.337 15 residues pruned to eliminate duplicates Z: 37 33.925 2.050 0.820 0.747 0.944 0.361 CB 1.287 37 residues pruned to eliminate duplicates Z: 37 34.106 2.044 0.730 0.700 0.917 0.417 CB 1.462 37 residues pruned to eliminate duplicates Z: 18 15.791 1.933 0.642 0.491 0.941 0.588 CB 1.293 18 residues pruned to eliminate duplicates Z: 41 32.498 2.019 0.761 0.714 0.925 0.500 CB 1.287 41 residues pruned to eliminate duplicates Z: 37 36.815 2.096 0.789 0.749 0.944 0.611 CB 1.387 37 residues pruned to eliminate duplicates Z: 39 35.554 2.041 0.827 0.737 0.921 0.474 CB 1.358 39 residues pruned to eliminate duplicates Z: 40 33.537 2.053 0.826 0.720 0.949 0.487 CB 1.237 40 residues pruned to eliminate duplicates Z: 39 38.623 2.081 0.782 0.756 0.947 0.605 CB 1.420 39 residues pruned to eliminate duplicates Z: 38 35.973 2.094 0.830 0.736 0.919 0.541 CB 1.359 38 residues pruned to eliminate duplicates Z: 29 27.040 2.038 0.645 0.717 0.964 0.500 CB 1.299 29 residues pruned to eliminate duplicates Z: 57 43.688 2.065 0.778 0.698 0.929 0.643 CB 1.430 58 residues pruned to eliminate duplicates Z: 17 28.280 2.124 0.798 0.786 0.812 0.562 CB 1.771 17 residues pruned to eliminate duplicates Z: 18 24.606 2.056 0.751 0.737 0.765 0.588 N 1.752 18 residues pruned to eliminate duplicates Z: 16 28.315 2.193 0.671 0.807 0.867 0.733 CA 1.761 16 residues pruned to eliminate duplicates Z: 18 33.894 2.171 0.806 0.742 0.941 0.706 CA 1.793 18 residues pruned to eliminate duplicates Z: 18 27.240 2.119 0.594 0.781 0.941 0.588 CA 1.623 18 residues pruned to eliminate duplicates Z: 17 32.162 2.211 0.594 0.822 0.938 0.812 CA 1.840 17 residues pruned to eliminate duplicates Z: 18 29.718 2.168 0.774 0.765 0.882 0.647 CA 1.679 18 residues pruned to eliminate duplicates Z: 19 25.004 2.110 0.649 0.715 0.889 0.833 CA 1.568 19 residues pruned to eliminate duplicates Z: 19 28.121 2.147 0.707 0.724 0.889 0.833 CA 1.662 19 residues pruned to eliminate duplicates Z: 19 27.647 2.124 0.729 0.729 0.889 0.833 CB 1.624 19 residues pruned to eliminate duplicates Z: 18 33.371 2.182 0.731 0.822 0.941 0.882 CA 1.722 18 residues pruned to eliminate duplicates Z: 25 25.351 1.998 0.820 0.630 0.875 0.542 CA 1.440 24 residues pruned to eliminate duplicates Z: 16 38.683 2.224 0.959 0.908 0.933 0.733 CA 1.744 22 residues pruned to eliminate duplicates Z: 16 39.489 2.169 0.965 0.913 1.000 0.733 CA 1.693 16 residues pruned to eliminate duplicates Z: 18 32.813 2.141 0.884 0.762 0.941 0.529 CA 1.661 18 residues pruned to eliminate duplicates Z: 19 34.888 2.127 0.893 0.760 0.944 0.722 CA 1.717 19 residues pruned to eliminate duplicates Z: 30 22.850 2.146 0.319 0.500 1.000 0.586 CB 1.498 30 residues pruned to eliminate duplicates Z: 28 27.965 2.262 0.607 0.560 0.963 0.741 CB 1.450 29 residues pruned to eliminate duplicates Z: 6 3.739 1.825 0.756 0.106 0.800 0.600 CB 1.077 6 residues pruned to eliminate duplicates Z: 29 27.110 2.265 0.684 0.479 0.893 0.536 CB 1.537 29 residues pruned to eliminate duplicates Z: 26 19.746 2.177 0.510 0.427 0.880 0.640 CB 1.473 26 residues pruned to eliminate duplicates Z: 26 23.144 2.336 0.410 0.526 0.920 0.560 CB 1.490 26 residues pruned to eliminate duplicates Z: 25 23.188 2.266 0.597 0.497 0.917 0.625 CB 1.431 25 residues pruned to eliminate duplicates Z: 30 23.414 2.208 0.388 0.498 0.966 0.517 CB 1.472 30 residues pruned to eliminate duplicates Z: 23 24.515 2.242 0.635 0.519 0.955 0.500 CB 1.465 23 residues pruned to eliminate duplicates Z: 31 18.698 2.085 0.543 0.456 0.867 0.633 CB 1.281 31 residues pruned to eliminate duplicates Z: 11 20.366 2.394 0.737 0.697 0.900 0.500 CB 1.437 11 residues pruned to eliminate duplicates Z: 28 28.847 2.234 0.583 0.548 0.963 0.556 CB 1.555 28 residues pruned to eliminate duplicates Z: 30 29.122 2.201 0.637 0.527 0.931 0.621 CB 1.569 30 residues pruned to eliminate duplicates Z: 29 27.168 2.244 0.622 0.520 0.929 0.464 CB 1.489 29 residues pruned to eliminate duplicates Z: 31 18.414 2.115 0.496 0.493 0.867 0.467 CB 1.234 31 residues pruned to eliminate duplicates Z: 19 18.142 2.060 0.445 0.499 0.944 0.778 CB 1.522 19 residues pruned to eliminate duplicates Z: 23 25.371 2.277 0.628 0.533 0.909 0.591 CB 1.554 22 residues pruned to eliminate duplicates Z: 9 11.343 2.172 0.393 0.658 1.000 0.875 CB 1.145 9 residues pruned to eliminate duplicates Z: 26 25.089 2.286 0.530 0.568 0.920 0.600 CB 1.461 26 residues pruned to eliminate duplicates Z: 26 14.829 2.157 0.437 0.403 0.800 0.640 CB 1.325 26 residues pruned to eliminate duplicates Z: 20 17.378 2.024 0.619 0.463 0.947 0.684 CB 1.333 20 residues pruned to eliminate duplicates Z: 27 23.976 2.196 0.557 0.438 0.885 0.538 CB 1.658 27 residues pruned to eliminate duplicates Z: 18 14.959 2.060 0.639 0.505 0.824 0.647 CB 1.298 18 residues pruned to eliminate duplicates Z: 35 30.371 2.228 0.536 0.581 0.912 0.647 CB 1.543 35 residues pruned to eliminate duplicates Z: 10 13.813 1.759 0.642 0.757 0.889 0.444 CB 1.426 10 residues pruned to eliminate duplicates Z: 39 30.530 2.169 0.647 0.554 0.895 0.553 CB 1.470 39 residues pruned to eliminate duplicates Z: 19 18.456 1.901 0.545 0.689 0.944 0.556 CB 1.318 19 residues pruned to eliminate duplicates Z: 26 21.619 2.074 0.642 0.484 0.800 0.520 CB 1.613 26 residues pruned to eliminate duplicates Z: 11 13.298 2.029 0.577 0.549 0.800 0.400 N 1.566 11 residues pruned to eliminate duplicates Z: 37 31.920 2.221 0.767 0.534 0.861 0.472 CB 1.522 38 residues pruned to eliminate duplicates Z: 9 19.509 2.072 0.470 0.849 1.000 0.875 CB 1.679 9 residues pruned to eliminate duplicates Z: 8 20.750 2.166 0.678 0.792 1.000 0.429 N 1.670 8 residues pruned to eliminate duplicates Z: 16 11.598 1.948 0.579 0.438 0.800 0.467 CB 1.298 16 residues pruned to eliminate duplicates Z: 43 28.298 2.182 0.581 0.547 0.833 0.548 CB 1.451 44 residues pruned to eliminate duplicates Z: 15 17.686 2.105 0.590 0.667 0.857 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 53 31.025 2.122 0.599 0.535 0.885 0.577 CB 1.385 54 residues pruned to eliminate duplicates Z: 6 7.707 1.934 0.390 0.833 1.000 0.800 CB 0.962 6 residues pruned to eliminate duplicates Z: 10 9.964 1.886 1.080 0.431 0.889 0.667 CB 1.022 10 residues pruned to eliminate duplicates Z: 20 14.099 2.012 0.669 0.525 0.789 0.421 CB 1.190 20 residues pruned to eliminate duplicates Z: 7 8.574 1.922 0.770 0.663 1.000 0.667 CB 0.885 7 residues pruned to eliminate duplicates Z: 29 23.889 2.062 0.353 0.657 0.929 0.679 CB 1.506 29 residues pruned to eliminate duplicates Z: 18 25.933 2.144 0.610 0.775 0.941 0.706 CA 1.519 18 residues pruned to eliminate duplicates Z: 28 22.343 2.042 0.534 0.612 0.889 0.630 CB 1.389 28 residues pruned to eliminate duplicates Z: 28 14.901 1.960 0.354 0.459 0.852 0.444 CB 1.323 28 residues pruned to eliminate duplicates Z: 58 28.480 1.978 0.579 0.543 0.912 0.456 CB 1.269 58 residues pruned to eliminate duplicates Z: 44 31.040 2.097 0.594 0.644 0.884 0.488 CB 1.401 49 residues pruned to eliminate duplicates Z: 17 23.982 2.096 0.526 0.833 0.938 0.688 CA 1.500 17 residues pruned to eliminate duplicates Z: 30 22.372 2.014 0.505 0.605 0.897 0.621 CB 1.383 26 residues pruned to eliminate duplicates Z: 18 24.692 1.984 0.689 0.776 0.941 0.529 CA 1.489 18 residues pruned to eliminate duplicates Z: 30 24.187 1.999 0.584 0.665 0.897 0.586 CB 1.358 31 residues pruned to eliminate duplicates Z: 17 27.276 2.079 0.802 0.807 0.938 0.500 CA 1.486 17 residues pruned to eliminate duplicates Z: 27 28.936 2.096 0.631 0.729 0.962 0.654 CB 1.406 29 residues pruned to eliminate duplicates Z: 17 24.999 2.098 0.755 0.857 0.812 0.750 CB 1.539 17 residues pruned to eliminate duplicates Z: 31 25.096 1.940 0.585 0.674 0.967 0.700 CB 1.312 31 residues pruned to eliminate duplicates Z: 43 26.651 2.054 0.512 0.623 0.857 0.619 CB 1.376 40 residues pruned to eliminate duplicates Z: 17 23.649 2.112 0.705 0.796 0.875 0.812 CA 1.448 17 residues pruned to eliminate duplicates Z: 31 21.377 2.004 0.543 0.639 0.833 0.600 CB 1.330 31 residues pruned to eliminate duplicates Z: 29 26.456 2.035 0.617 0.694 0.929 0.571 CB 1.370 31 residues pruned to eliminate duplicates Z: 12 20.503 2.097 0.734 0.813 0.909 0.727 CB 1.424 12 residues pruned to eliminate duplicates Z: 50 27.578 2.057 0.568 0.582 0.878 0.490 CB 1.286 50 residues pruned to eliminate duplicates Z: 38 19.144 2.173 0.379 0.424 0.865 0.405 CB 1.314 38 residues pruned to eliminate duplicates Z: 21 15.125 2.042 0.609 0.571 0.800 0.300 CB 1.201 21 residues pruned to eliminate duplicates Z: 18 15.553 2.078 0.809 0.609 0.882 0.471 CB 1.026 18 residues pruned to eliminate duplicates Z: 43 19.351 2.044 0.478 0.411 0.905 0.429 CB 1.200 49 residues pruned to eliminate duplicates Z: 81 39.380 2.170 0.513 0.579 0.850 0.575 CB 1.462 81 residues pruned to eliminate duplicates Z: 38 25.715 2.020 0.864 0.575 0.892 0.432 CB 1.171 45 residues pruned to eliminate duplicates Z: 36 22.325 2.253 0.483 0.439 0.886 0.400 CB 1.358 36 residues pruned to eliminate duplicates Z: 45 21.027 2.112 0.623 0.398 0.841 0.568 CB 1.225 45 residues pruned to eliminate duplicates Z: 42 20.316 2.112 0.601 0.420 0.829 0.537 CB 1.229 42 residues pruned to eliminate duplicates Z: 56 27.706 2.072 0.706 0.504 0.873 0.491 CB 1.205 56 residues pruned to eliminate duplicates Z: 43 26.471 2.169 0.733 0.434 0.905 0.595 CB 1.286 43 residues pruned to eliminate duplicates Z: 47 24.825 2.163 0.709 0.412 0.870 0.543 CB 1.247 47 residues pruned to eliminate duplicates Z: 32 24.009 2.142 0.797 0.487 0.871 0.452 CB 1.304 32 residues pruned to eliminate duplicates Z: 20 20.247 2.162 0.824 0.592 0.842 0.526 CB 1.281 20 residues pruned to eliminate duplicates Z: 43 23.810 2.189 0.597 0.431 0.857 0.571 CB 1.318 43 residues pruned to eliminate duplicates Z: 36 23.629 2.161 0.690 0.479 0.886 0.486 CB 1.261 36 residues pruned to eliminate duplicates Z: 37 24.055 2.255 0.576 0.449 0.889 0.667 CB 1.337 37 residues pruned to eliminate duplicates Z: 56 19.810 2.026 0.566 0.358 0.836 0.436 CB 1.172 56 residues pruned to eliminate duplicates Z: 61 22.741 2.055 0.435 0.447 0.817 0.550 CB 1.287 61 residues pruned to eliminate duplicates Z: 48 21.968 2.096 0.505 0.405 0.851 0.468 CB 1.318 48 residues pruned to eliminate duplicates Z: 60 28.755 2.107 0.617 0.455 0.864 0.424 CB 1.331 60 residues pruned to eliminate duplicates Z: 25 13.326 2.140 0.384 0.288 0.833 0.417 CB 1.398 Z: 12 15.960 2.060 0.635 0.565 0.909 0.545 CB 1.476 14 residues pruned to eliminate duplicates Z: 13 20.713 1.993 0.924 0.644 0.917 0.500 CB 1.487 11 residues pruned to eliminate duplicates Z: 7 13.946 2.194 0.617 0.583 1.000 0.500 CA 1.482 7 residues pruned to eliminate duplicates Z: 22 12.565 2.111 0.414 0.332 0.905 0.571 CB 1.220 22 residues pruned to eliminate duplicates Z: 49 24.824 2.050 0.673 0.450 0.896 0.479 CB 1.227 74 residues pruned to eliminate duplicates Z: 46 21.968 2.052 0.583 0.374 0.867 0.400 CB 1.331 46 residues pruned to eliminate duplicates Z: 44 23.152 2.148 0.612 0.430 0.930 0.581 CB 1.178 44 residues pruned to eliminate duplicates Z: 21 13.142 2.192 0.424 0.301 0.900 0.450 CB 1.306 Z: 6 3.469 1.691 0.220 0.370 0.800 0.400 CA 1.081 6 residues pruned to eliminate duplicates Z: 19 13.211 2.219 0.399 0.345 0.889 0.556 CB 1.336 19 residues pruned to eliminate duplicates Z: 21 14.868 2.155 0.537 0.348 0.950 0.600 CB 1.245 21 residues pruned to eliminate duplicates Z: 6 7.041 1.711 0.884 0.410 1.000 0.600 CB 1.073 7 residues pruned to eliminate duplicates Z: 6 2.315 1.569 0.377 0.162 0.600 0.200 O 1.207 Z: 7 7.089 2.032 0.426 0.445 0.833 0.500 CB 1.268 5 residues pruned to eliminate duplicates Z: 6 9.617 2.192 0.369 0.674 0.800 0.800 CB 1.526 6 residues pruned to eliminate duplicates Z: 88 53.443 2.205 0.655 0.695 0.897 0.713 CB 1.465 116 residues pruned to eliminate duplicates Z: 64 62.765 2.248 0.790 0.749 0.952 0.762 CB 1.652 64 residues pruned to eliminate duplicates Z: 12 34.398 2.385 0.884 0.807 1.000 0.818 CB 1.765 12 residues pruned to eliminate duplicates Z: 60 56.149 2.230 0.747 0.753 0.932 0.695 CB 1.607 60 residues pruned to eliminate duplicates Z: 56 57.975 2.219 0.783 0.760 0.945 0.745 CB 1.659 56 residues pruned to eliminate duplicates Z: 54 45.698 2.202 0.594 0.706 0.925 0.717 CB 1.604 54 residues pruned to eliminate duplicates Z: 37 21.589 2.059 0.680 0.521 0.722 0.556 CB 1.411 37 residues pruned to eliminate duplicates Z: 65 54.683 2.239 0.649 0.756 0.938 0.766 CB 1.572 65 residues pruned to eliminate duplicates Z: 64 59.051 2.233 0.745 0.775 0.921 0.714 CB 1.626 64 residues pruned to eliminate duplicates Z: 14 25.115 1.998 0.779 0.883 1.000 0.692 CB 1.417 14 residues pruned to eliminate duplicates Z: 62 53.268 2.238 0.677 0.756 0.885 0.770 CB 1.634 62 residues pruned to eliminate duplicates Z: 45 56.046 2.336 0.824 0.776 0.932 0.795 CB 1.668 45 residues pruned to eliminate duplicates Z: 65 55.259 2.222 0.734 0.727 0.922 0.641 CB 1.585 65 residues pruned to eliminate duplicates Z: 64 56.618 2.219 0.773 0.749 0.921 0.730 CB 1.577 64 residues pruned to eliminate duplicates Z: 52 56.016 2.268 0.714 0.748 0.980 0.686 CB 1.650 52 residues pruned to eliminate duplicates Z: 66 48.922 2.157 0.744 0.692 0.908 0.692 CB 1.491 66 residues pruned to eliminate duplicates Z: 63 61.674 2.235 0.833 0.784 0.919 0.726 CB 1.620 63 residues pruned to eliminate duplicates Z: 48 53.993 2.285 0.766 0.773 0.957 0.702 CB 1.601 48 residues pruned to eliminate duplicates Z: 52 53.107 2.230 0.881 0.701 0.902 0.706 CB 1.636 52 residues pruned to eliminate duplicates Z: 47 60.645 2.328 0.983 0.765 0.935 0.674 CB 1.639 47 residues pruned to eliminate duplicates Z: 65 61.305 2.244 0.785 0.755 0.953 0.734 CB 1.600 65 residues pruned to eliminate duplicates Z: 49 54.955 2.266 0.847 0.782 0.938 0.646 CB 1.577 49 residues pruned to eliminate duplicates Z: 65 49.532 2.183 0.697 0.652 0.922 0.656 CB 1.574 65 residues pruned to eliminate duplicates Z: 65 60.936 2.232 0.906 0.731 0.938 0.578 CB 1.551 65 residues pruned to eliminate duplicates Z: 60 58.401 2.247 0.851 0.760 0.915 0.559 CB 1.585 60 residues pruned to eliminate duplicates Z: 46 53.620 2.320 0.979 0.746 0.889 0.556 CB 1.573 46 residues pruned to eliminate duplicates Z: 46 54.581 2.222 0.900 0.830 0.956 0.533 CB 1.517 46 residues pruned to eliminate duplicates Z: 48 63.052 2.289 0.966 0.788 0.957 0.553 CB 1.658 48 residues pruned to eliminate duplicates Z: 65 60.615 2.244 0.928 0.746 0.906 0.500 CB 1.551 65 residues pruned to eliminate duplicates Z: 64 61.011 2.233 0.862 0.773 0.937 0.492 CB 1.551 64 residues pruned to eliminate duplicates Z: 71 58.910 2.206 0.953 0.702 0.943 0.357 CB 1.442 71 residues pruned to eliminate duplicates Z: 63 63.513 2.235 0.955 0.772 0.952 0.565 CB 1.524 63 residues pruned to eliminate duplicates Z: 65 64.201 2.194 1.005 0.758 0.953 0.562 CB 1.521 63 residues pruned to eliminate duplicates Z: 19 30.237 2.087 0.659 0.914 0.944 0.667 CB 1.542 19 residues pruned to eliminate duplicates Z: 38 50.145 2.234 0.934 0.812 1.000 0.459 CB 1.454 38 residues pruned to eliminate duplicates Z: 63 58.785 2.225 0.971 0.750 0.887 0.516 CB 1.535 63 residues pruned to eliminate duplicates Z: 46 51.747 2.222 0.979 0.751 0.911 0.644 CB 1.539 46 residues pruned to eliminate duplicates Z: 44 54.775 2.341 0.785 0.778 0.977 0.512 CB 1.602 44 residues pruned to eliminate duplicates Z: 46 58.815 2.312 0.873 0.816 0.956 0.644 CB 1.610 46 residues pruned to eliminate duplicates Z: 46 64.993 2.323 1.123 0.792 0.933 0.556 CB 1.628 46 residues pruned to eliminate duplicates Z: 28 32.283 2.085 0.807 0.695 0.852 0.296 CB 1.620 28 residues pruned to eliminate duplicates Z: 16 22.426 2.075 0.685 0.726 0.933 0.667 CB 1.447 16 residues pruned to eliminate duplicates Z: 60 69.589 2.265 1.111 0.777 0.949 0.441 CB 1.564 60 residues pruned to eliminate duplicates Z: 10 10.948 2.007 0.652 0.527 0.889 0.333 CB 1.205 10 residues pruned to eliminate duplicates Z: 59 66.648 2.228 1.125 0.786 0.966 0.431 CB 1.489 61 residues pruned to eliminate duplicates Z: 15 25.540 2.110 0.820 0.815 0.929 0.643 CB 1.456 15 residues pruned to eliminate duplicates Z: 61 58.232 2.203 0.995 0.736 0.933 0.350 CB 1.483 61 residues pruned to eliminate duplicates Z: 62 62.047 2.246 1.072 0.752 0.934 0.459 CB 1.460 62 residues pruned to eliminate duplicates Z: 16 22.436 2.075 0.876 0.702 0.867 0.667 CB 1.428 16 residues pruned to eliminate duplicates Z: 19 15.482 1.897 0.821 0.579 0.889 0.556 CB 1.101 19 residues pruned to eliminate duplicates Z: 21 18.346 1.881 0.847 0.520 0.950 0.500 CB 1.219 21 residues pruned to eliminate duplicates Z: 17 24.321 2.078 0.852 0.695 0.938 0.750 CB 1.410 17 residues pruned to eliminate duplicates Z: 17 27.563 2.010 0.731 0.835 1.000 0.812 CB 1.485 17 residues pruned to eliminate duplicates Z: 17 24.498 2.062 0.974 0.754 0.875 0.500 CB 1.372 17 residues pruned to eliminate duplicates Z: 16 27.002 1.989 0.956 0.787 0.933 0.667 CB 1.493 16 residues pruned to eliminate duplicates 954 residues left after pruning, divided into chains as follows: A: 10 B: 10 C: 9 D: 6 E: 11 F: 12 G: 41 H: 9 I: 7 J: 39 K: 49 L: 24 M: 20 N: 9 O: 14 P: 49 Q: 168 R: 22 S: 23 T: 15 U: 14 V: 48 W: 37 X: 66 Y: 89 Z: 53 Z: 40 Z: 27 Z: 33 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 28.83 % ------------------------------------------------------------------------------ Global autotracing cycle 6 = 0.300, Contrast = 0.498, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.568, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.664, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.674, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.781 for dens.mod. cycle 6 = 0.300, Contrast = 0.679, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.680, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.681, Connect. = 0.784 for dens.mod. cycle 9 = 0.300, Contrast = 0.681, Connect. = 0.785 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7615 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1659 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 26.823 2.309 0.597 0.814 0.923 0.769 CB 1.663 B: 13 21.738 2.296 0.380 0.907 1.000 1.000 CA 1.408 14 residues pruned to eliminate duplicates C: 15 26.930 2.164 0.812 0.856 0.929 0.786 CB 1.458 14 residues pruned to eliminate duplicates D: 12 22.618 2.415 0.126 0.916 1.000 1.000 CA 1.772 E: 13 29.342 2.351 0.601 0.913 1.000 0.833 CA 1.593 12 residues pruned to eliminate duplicates F: 13 35.877 2.277 0.917 0.888 1.000 0.750 CA 1.710 13 residues pruned to eliminate duplicates G: 13 31.864 2.344 0.769 0.921 0.917 0.917 CA 1.702 13 residues pruned to eliminate duplicates H: 12 31.995 2.239 1.286 0.895 0.909 0.364 CB 1.487 I: 11 32.818 2.374 0.979 0.847 1.000 0.500 CB 1.640 12 residues pruned to eliminate duplicates J: 12 33.466 2.278 0.876 0.913 0.909 0.455 CB 1.839 K: 31 37.782 2.152 0.414 0.945 1.000 0.800 CB 1.568 L: 10 13.588 1.876 0.692 0.727 0.778 0.333 O 1.496 M: 15 15.993 2.119 0.016 0.866 0.929 0.714 CA 1.566 N: 12 31.498 2.397 0.541 0.907 1.000 0.818 CA 1.828 12 residues pruned to eliminate duplicates O: 13 22.772 2.068 0.858 0.903 0.917 0.917 CA 1.330 13 residues pruned to eliminate duplicates P: 31 44.594 2.182 0.940 0.912 0.967 0.267 CB 1.410 31 residues pruned to eliminate duplicates Q: 24 39.242 2.029 0.935 0.909 1.000 0.826 CB 1.480 R: 10 22.866 1.916 0.887 0.911 1.000 0.889 CB 1.494 S: 13 29.469 2.215 0.648 0.924 1.000 0.667 CB 1.637 13 residues pruned to eliminate duplicates T: 8 16.304 2.161 0.231 0.874 1.000 0.714 N 1.686 U: 12 36.405 2.452 0.718 0.911 1.000 0.727 CA 1.847 12 residues pruned to eliminate duplicates V: 13 28.618 2.357 0.552 0.914 1.000 0.917 CA 1.597 13 residues pruned to eliminate duplicates W: 15 23.065 1.854 0.568 0.870 1.000 0.786 CA 1.547 13 residues pruned to eliminate duplicates X: 11 21.177 2.300 0.253 0.891 1.000 0.900 CB 1.671 Y: 48 25.916 2.085 0.340 0.455 0.936 0.553 CB 1.515 Z: 20 22.609 1.817 0.638 0.819 0.947 0.684 CB 1.395 20 residues pruned to eliminate duplicates Z: 6 11.759 2.054 0.584 0.486 1.000 0.600 CA 1.639 Z: 9 22.072 2.190 0.795 0.896 0.875 0.875 CA 1.625 Z: 12 27.535 2.225 0.558 0.936 1.000 0.909 CA 1.668 11 residues pruned to eliminate duplicates Z: 12 34.489 2.377 0.772 0.907 1.000 0.909 CA 1.755 12 residues pruned to eliminate duplicates Z: 13 21.008 2.146 0.571 0.906 0.917 0.750 CA 1.396 15 residues pruned to eliminate duplicates Z: 9 15.545 2.088 0.400 0.844 1.000 0.750 CB 1.399 9 residues pruned to eliminate duplicates Z: 16 25.507 2.162 0.524 0.831 0.933 0.733 CA 1.609 15 residues pruned to eliminate duplicates Z: 41 16.282 1.962 0.372 0.390 0.875 0.475 CB 1.228 Z: 15 38.339 2.248 0.895 0.899 0.929 0.571 CA 1.851 Z: 11 25.356 2.183 0.581 0.829 1.000 0.500 CB 1.748 Z: 10 7.863 1.819 0.478 0.595 0.778 0.444 CB 1.145 10 residues pruned to eliminate duplicates Z: 49 29.304 2.020 0.554 0.593 0.917 0.583 CB 1.346 Z: 11 22.622 2.309 0.399 0.856 1.000 0.800 CB 1.632 11 residues pruned to eliminate duplicates Z: 19 23.354 2.065 0.615 0.890 0.889 0.722 CB 1.335 Z: 9 20.053 2.174 0.714 0.800 0.875 0.750 CA 1.673 9 residues pruned to eliminate duplicates Z: 13 22.939 2.129 0.968 0.835 0.833 0.583 CB 1.422 13 residues pruned to eliminate duplicates Z: 16 36.035 2.224 0.703 0.923 0.933 0.800 CA 1.849 16 residues pruned to eliminate duplicates Z: 23 40.402 2.235 0.794 0.871 1.000 0.682 CB 1.566 Z: 10 22.122 2.091 0.694 0.912 1.000 1.000 CB 1.475 8 residues pruned to eliminate duplicates Z: 31 41.135 2.158 0.825 0.933 0.933 0.567 CB 1.425 31 residues pruned to eliminate duplicates Z: 9 18.981 2.389 0.365 0.822 1.000 0.875 CB 1.556 9 residues pruned to eliminate duplicates Z: 29 35.719 1.985 0.765 0.912 0.964 0.821 CB 1.416 29 residues pruned to eliminate duplicates Z: 17 29.446 2.039 0.742 0.913 0.938 0.500 CB 1.564 17 residues pruned to eliminate duplicates Z: 12 29.621 2.268 1.059 0.883 1.000 0.727 CA 1.383 12 residues pruned to eliminate duplicates Z: 30 47.552 2.176 0.812 0.917 1.000 0.828 CB 1.580 23 residues pruned to eliminate duplicates Z: 9 14.540 1.916 0.474 0.762 1.000 0.625 O 1.443 8 residues pruned to eliminate duplicates Z: 13 24.485 2.042 0.685 0.865 0.917 0.750 CA 1.642 13 residues pruned to eliminate duplicates Z: 16 29.830 2.080 0.830 0.857 0.867 0.867 CA 1.720 16 residues pruned to eliminate duplicates Z: 13 31.719 2.082 1.083 0.853 1.000 0.667 CA 1.561 12 residues pruned to eliminate duplicates Z: 15 21.376 2.029 0.321 0.885 1.000 0.714 CB 1.539 15 residues pruned to eliminate duplicates Z: 8 23.201 1.993 1.009 0.846 1.000 0.857 CB 1.627 Z: 31 39.839 2.156 0.521 0.926 0.967 0.867 CA 1.609 31 residues pruned to eliminate duplicates Z: 21 33.089 2.036 0.928 0.880 0.950 0.600 CB 1.438 Z: 11 6.086 1.882 0.217 0.505 0.800 0.500 CB 1.046 37 residues pruned to eliminate duplicates Z: 12 29.089 2.000 1.176 0.859 1.000 0.545 CB 1.483 12 residues pruned to eliminate duplicates Z: 13 21.400 1.989 0.557 0.887 1.000 1.000 CB 1.438 13 residues pruned to eliminate duplicates Z: 8 14.171 2.133 0.502 0.865 0.857 0.714 CA 1.429 8 residues pruned to eliminate duplicates Z: 10 22.745 2.092 0.789 0.919 1.000 0.778 CA 1.427 9 residues pruned to eliminate duplicates Z: 31 47.373 2.214 0.748 0.939 1.000 0.933 CB 1.554 31 residues pruned to eliminate duplicates Z: 7 17.116 2.205 0.265 0.882 1.000 1.000 CA 1.813 9 residues pruned to eliminate duplicates Z: 12 20.855 2.100 0.546 0.848 1.000 0.636 CA 1.436 11 residues pruned to eliminate duplicates Z: 20 44.588 2.256 1.045 0.936 0.895 0.579 CB 1.725 22 residues pruned to eliminate duplicates Z: 11 15.838 1.751 0.461 0.817 1.000 0.600 CA 1.487 11 residues pruned to eliminate duplicates Z: 16 23.347 2.015 0.468 0.872 1.000 0.733 CB 1.485 Z: 13 26.032 2.134 0.754 0.891 0.917 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 8 22.803 2.028 1.100 0.818 0.857 0.714 CB 1.792 8 residues pruned to eliminate duplicates Z: 29 58.076 2.265 1.014 0.941 1.000 0.786 CA 1.670 30 residues pruned to eliminate duplicates Z: 14 26.092 2.034 0.566 0.882 1.000 0.923 CB 1.644 14 residues pruned to eliminate duplicates Z: 30 54.805 2.220 1.083 0.945 1.000 0.552 CB 1.523 30 residues pruned to eliminate duplicates Z: 16 30.604 2.189 0.710 0.891 0.933 0.800 CA 1.626 16 residues pruned to eliminate duplicates Z: 17 16.097 2.129 0.576 0.539 0.875 0.375 CB 1.319 11 residues pruned to eliminate duplicates Z: 13 15.572 1.944 0.412 0.844 0.833 0.583 CB 1.461 11 residues pruned to eliminate duplicates Z: 8 21.783 2.345 0.366 0.904 1.000 1.000 CB 1.831 9 residues pruned to eliminate duplicates Z: 13 27.829 2.081 0.876 0.901 1.000 0.750 CA 1.469 13 residues pruned to eliminate duplicates Z: 16 32.801 2.222 0.738 0.907 0.867 0.800 CA 1.799 16 residues pruned to eliminate duplicates Z: 9 17.603 1.998 0.483 0.833 1.000 0.875 CB 1.576 8 residues pruned to eliminate duplicates Z: 9 13.976 2.001 0.207 0.832 1.000 1.000 N 1.535 9 residues pruned to eliminate duplicates Z: 10 16.481 1.891 0.832 0.811 0.889 0.444 CB 1.361 10 residues pruned to eliminate duplicates Z: 22 28.250 1.942 0.688 0.913 0.905 0.714 CB 1.471 21 residues pruned to eliminate duplicates Z: 9 25.804 2.097 0.681 0.864 1.000 0.500 C 1.898 9 residues pruned to eliminate duplicates Z: 12 26.554 2.090 0.660 0.875 1.000 0.818 N 1.679 11 residues pruned to eliminate duplicates Z: 17 33.096 2.025 0.784 0.895 1.000 0.750 CA 1.643 14 residues pruned to eliminate duplicates Z: 16 30.058 2.168 0.462 0.903 1.000 0.467 CB 1.745 16 residues pruned to eliminate duplicates Z: 43 30.913 1.969 0.658 0.638 0.952 0.500 CB 1.347 43 residues pruned to eliminate duplicates Z: 30 31.040 1.901 0.594 0.875 0.966 0.793 CA 1.433 25 residues pruned to eliminate duplicates Z: 9 16.272 1.792 0.803 0.693 1.000 0.750 N 1.493 9 residues pruned to eliminate duplicates Z: 8 19.964 2.149 0.557 0.839 1.000 0.857 CA 1.684 8 residues pruned to eliminate duplicates Z: 11 27.439 2.217 0.898 0.911 0.900 0.800 CA 1.624 11 residues pruned to eliminate duplicates Z: 49 38.318 2.233 0.822 0.427 0.917 0.521 CA 1.601 24 residues pruned to eliminate duplicates Z: 16 37.594 2.271 0.755 0.911 0.933 0.667 CA 1.850 16 residues pruned to eliminate duplicates Z: 14 27.374 2.151 0.703 0.836 1.000 0.769 CB 1.550 Z: 22 38.156 2.154 0.825 0.949 0.952 0.667 CB 1.534 20 residues pruned to eliminate duplicates Z: 16 19.319 1.901 0.533 0.803 0.933 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 31 24.223 2.189 0.764 0.347 0.900 0.433 CA 1.504 18 residues pruned to eliminate duplicates Z: 7 10.096 2.120 0.346 0.850 0.833 0.667 CA 1.284 7 residues pruned to eliminate duplicates Z: 14 9.190 1.695 -0.040 0.835 1.000 0.769 CB 1.173 Z: 16 34.038 2.159 0.869 0.902 0.933 0.800 CA 1.665 16 residues pruned to eliminate duplicates Z: 29 41.397 2.246 0.532 0.935 1.000 0.964 CA 1.584 29 residues pruned to eliminate duplicates Z: 27 33.340 1.932 0.670 0.897 1.000 0.808 CA 1.451 29 residues pruned to eliminate duplicates Z: 16 28.048 2.183 0.510 0.892 0.933 0.800 CA 1.692 16 residues pruned to eliminate duplicates Z: 22 30.134 2.071 0.624 0.882 0.905 0.810 CB 1.564 22 residues pruned to eliminate duplicates Z: 30 49.073 2.188 0.856 0.919 0.966 0.862 CA 1.637 30 residues pruned to eliminate duplicates Z: 8 20.291 1.995 0.992 0.875 1.000 0.857 CB 1.404 8 residues pruned to eliminate duplicates Z: 9 21.460 2.060 0.751 0.912 1.000 0.875 CB 1.490 9 residues pruned to eliminate duplicates Z: 6 7.523 1.971 0.375 0.760 0.800 0.800 CB 1.231 6 residues pruned to eliminate duplicates Z: 6 7.382 1.846 0.217 0.673 0.800 0.600 C 1.567 6 residues pruned to eliminate duplicates Z: 13 11.566 1.712 0.227 0.803 1.000 0.833 CB 1.220 14 residues pruned to eliminate duplicates Z: 14 13.505 2.052 0.552 0.378 0.923 0.385 CB 1.452 Z: 28 41.214 2.054 0.599 0.939 1.000 0.852 CB 1.677 Z: 21 34.672 2.141 0.681 0.887 0.950 0.550 CB 1.636 21 residues pruned to eliminate duplicates Z: 9 15.148 2.051 0.551 0.748 0.750 0.375 O 1.798 9 residues pruned to eliminate duplicates Z: 14 31.988 2.212 0.812 0.913 1.000 0.769 CA 1.566 14 residues pruned to eliminate duplicates Z: 31 41.333 2.179 0.549 0.923 0.967 0.900 CB 1.625 31 residues pruned to eliminate duplicates Z: 30 36.741 1.987 0.606 0.909 0.966 0.483 CB 1.571 28 residues pruned to eliminate duplicates Z: 9 24.486 2.116 0.904 0.847 1.000 0.750 CA 1.595 9 residues pruned to eliminate duplicates Z: 11 25.320 2.101 1.004 0.899 1.000 0.700 CB 1.359 11 residues pruned to eliminate duplicates Z: 13 12.194 1.748 0.217 0.824 1.000 0.667 CB 1.250 13 residues pruned to eliminate duplicates Z: 29 33.749 1.981 0.652 0.878 0.929 0.643 CB 1.523 29 residues pruned to eliminate duplicates Z: 14 20.696 1.907 0.739 0.897 1.000 0.923 CB 1.238 14 residues pruned to eliminate duplicates Z: 37 22.579 1.885 0.636 0.675 0.861 0.389 CB 1.206 26 residues pruned to eliminate duplicates Z: 30 43.139 2.192 0.808 0.920 0.966 0.621 CB 1.474 30 residues pruned to eliminate duplicates Z: 29 46.569 2.213 0.903 0.928 0.929 0.464 CB 1.577 29 residues pruned to eliminate duplicates Z: 9 11.045 1.859 0.486 0.788 0.875 0.750 CB 1.255 Z: 29 43.216 2.182 0.652 0.913 0.964 0.786 CA 1.662 29 residues pruned to eliminate duplicates Z: 28 31.999 1.957 0.861 0.913 0.963 0.630 CB 1.243 27 residues pruned to eliminate duplicates Z: 14 25.891 2.194 0.825 0.843 0.923 0.615 CB 1.447 13 residues pruned to eliminate duplicates Z: 7 8.848 2.040 0.488 0.526 0.833 0.500 CB 1.393 7 residues pruned to eliminate duplicates Z: 25 11.701 1.974 0.446 0.450 0.750 0.417 CB 1.175 10 residues pruned to eliminate duplicates Z: 12 13.426 1.931 0.106 0.817 1.000 0.818 CB 1.440 13 residues pruned to eliminate duplicates Z: 22 40.717 2.136 1.085 0.939 0.952 0.857 CB 1.456 27 residues pruned to eliminate duplicates Z: 14 38.594 2.154 1.355 0.916 1.000 0.692 CB 1.491 13 residues pruned to eliminate duplicates Z: 30 50.011 2.158 0.831 0.937 1.000 0.862 CB 1.636 30 residues pruned to eliminate duplicates Z: 8 26.183 2.072 1.089 0.878 1.000 0.857 CB 1.659 9 residues pruned to eliminate duplicates Z: 13 17.385 1.912 0.564 0.873 1.000 0.750 CB 1.222 13 residues pruned to eliminate duplicates Z: 23 29.663 2.050 0.374 0.909 0.955 0.909 CB 1.669 23 residues pruned to eliminate duplicates Z: 30 43.291 2.190 0.863 0.932 0.931 0.517 CB 1.478 30 residues pruned to eliminate duplicates Z: 26 37.850 2.105 0.741 0.888 1.000 0.840 CB 1.488 26 residues pruned to eliminate duplicates Z: 31 47.123 2.182 0.761 0.902 1.000 0.767 CA 1.597 31 residues pruned to eliminate duplicates Z: 6 4.776 1.831 0.319 0.477 0.800 0.600 CB 1.131 Z: 26 18.391 1.995 0.420 0.463 1.000 0.480 CB 1.347 14 residues pruned to eliminate duplicates Z: 6 7.624 1.788 1.355 0.846 0.800 0.800 CB 0.752 Z: 20 18.146 2.088 0.761 0.514 0.789 0.579 CB 1.415 15 residues pruned to eliminate duplicates Z: 74 52.129 2.288 0.668 0.538 0.918 0.671 CB 1.678 68 residues pruned to eliminate duplicates Z: 13 27.438 2.214 0.788 0.884 0.917 0.833 CB 1.577 14 residues pruned to eliminate duplicates Z: 11 15.011 2.025 0.740 0.721 0.700 0.500 CB 1.576 11 residues pruned to eliminate duplicates Z: 17 8.770 1.963 0.360 0.405 0.812 0.438 CB 1.117 Z: 31 47.463 2.189 0.894 0.945 0.967 0.633 CB 1.497 31 residues pruned to eliminate duplicates Z: 30 39.215 2.172 0.444 0.931 1.000 0.862 CB 1.622 30 residues pruned to eliminate duplicates Z: 12 16.681 2.044 0.573 0.741 0.909 0.636 CB 1.387 12 residues pruned to eliminate duplicates Z: 28 42.423 2.055 0.761 0.918 1.000 0.593 CB 1.592 30 residues pruned to eliminate duplicates Z: 8 13.898 2.086 0.210 0.823 0.857 0.714 N 1.836 8 residues pruned to eliminate duplicates Z: 11 22.488 2.027 0.733 0.906 1.000 1.000 CB 1.440 11 residues pruned to eliminate duplicates Z: 14 17.214 1.832 0.291 0.892 1.000 0.846 CA 1.450 Z: 23 30.155 2.116 0.419 0.887 0.955 0.636 CB 1.618 23 residues pruned to eliminate duplicates Z: 8 19.362 2.261 0.529 0.905 1.000 1.000 CB 1.507 8 residues pruned to eliminate duplicates Z: 31 51.148 2.192 0.788 0.926 1.000 0.833 CB 1.671 31 residues pruned to eliminate duplicates Z: 24 36.769 2.197 0.851 0.903 0.913 0.609 CB 1.472 25 residues pruned to eliminate duplicates Z: 11 25.074 2.290 0.489 0.879 1.000 0.800 CB 1.686 11 residues pruned to eliminate duplicates Z: 15 13.760 1.938 0.232 0.864 0.857 0.857 CA 1.318 15 residues pruned to eliminate duplicates Z: 11 18.908 2.054 0.667 0.877 0.900 0.800 CB 1.409 11 residues pruned to eliminate duplicates Z: 14 23.115 1.753 0.919 0.849 1.000 0.846 CB 1.413 12 residues pruned to eliminate duplicates Z: 6 8.906 2.148 0.118 0.571 1.000 1.000 CB 1.548 5 residues pruned to eliminate duplicates Z: 7 11.121 2.107 0.257 0.874 1.000 0.833 CA 1.248 7 residues pruned to eliminate duplicates Z: 14 23.993 1.909 0.627 0.895 1.000 0.846 CA 1.536 14 residues pruned to eliminate duplicates Z: 15 17.462 1.881 0.392 0.901 1.000 0.786 CB 1.272 Z: 14 6.160 1.845 0.424 0.418 0.692 0.462 CB 1.024 14 residues pruned to eliminate duplicates Z: 6 2.863 1.870 0.623 0.479 0.800 0.600 CB 0.538 Z: 31 50.394 2.207 0.932 0.933 1.000 0.600 CB 1.506 31 residues pruned to eliminate duplicates Z: 26 32.294 2.015 0.523 0.931 1.000 0.880 CB 1.471 26 residues pruned to eliminate duplicates Z: 30 48.765 2.215 0.757 0.929 1.000 0.828 CA 1.628 30 residues pruned to eliminate duplicates Z: 12 16.680 1.933 0.508 0.881 0.909 0.727 CB 1.375 12 residues pruned to eliminate duplicates Z: 12 16.093 1.918 0.269 0.826 1.000 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 23 27.113 2.031 0.331 0.874 0.955 0.864 CA 1.630 23 residues pruned to eliminate duplicates Z: 30 32.241 1.986 0.468 0.898 0.966 0.690 CB 1.521 30 residues pruned to eliminate duplicates Z: 18 23.005 1.984 0.618 0.824 0.941 0.706 CB 1.394 18 residues pruned to eliminate duplicates Z: 16 36.030 2.139 0.860 0.896 1.000 0.600 CB 1.674 16 residues pruned to eliminate duplicates Z: 21 44.147 2.259 1.113 0.910 0.950 0.550 CB 1.545 21 residues pruned to eliminate duplicates Z: 41 25.364 1.848 0.635 0.536 0.900 0.625 CB 1.424 41 residues pruned to eliminate duplicates Z: 62 49.950 2.249 0.778 0.552 0.918 0.639 CB 1.656 62 residues pruned to eliminate duplicates Z: 11 23.760 2.063 0.839 0.885 1.000 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 26 37.909 2.026 0.676 0.908 0.960 0.640 CB 1.652 26 residues pruned to eliminate duplicates Z: 26 19.020 2.250 0.435 0.541 0.840 0.640 CB 1.347 13 residues pruned to eliminate duplicates Z: 17 17.787 1.933 0.358 0.838 0.938 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 15 20.704 2.201 0.120 0.912 0.929 0.929 CA 1.713 15 residues pruned to eliminate duplicates Z: 13 15.086 1.859 0.281 0.817 1.000 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 13 42.242 2.329 1.145 0.930 1.000 0.917 CA 1.707 13 residues pruned to eliminate duplicates Z: 15 18.213 1.885 0.451 0.851 0.929 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 28 34.530 1.978 0.490 0.925 0.963 0.852 CA 1.643 28 residues pruned to eliminate duplicates Z: 30 37.790 2.017 0.538 0.907 0.931 0.759 CB 1.728 30 residues pruned to eliminate duplicates Z: 8 20.150 2.012 0.756 0.875 1.000 0.857 CA 1.568 8 residues pruned to eliminate duplicates Z: 26 26.775 2.263 0.580 0.555 0.960 0.600 CB 1.479 27 residues pruned to eliminate duplicates Z: 22 19.685 2.232 0.672 0.479 0.810 0.571 CB 1.452 22 residues pruned to eliminate duplicates Z: 17 24.982 2.041 0.609 0.853 0.938 0.625 CA 1.499 16 residues pruned to eliminate duplicates Z: 6 8.489 2.090 0.774 0.769 1.000 1.000 CB 0.807 Z: 16 20.248 1.906 0.266 0.878 1.000 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 51 30.540 2.095 0.564 0.554 0.900 0.620 CB 1.389 51 residues pruned to eliminate duplicates Z: 17 37.747 2.092 0.908 0.908 1.000 0.750 CA 1.679 17 residues pruned to eliminate duplicates Z: 15 19.440 1.975 0.711 0.870 0.929 0.571 CB 1.209 15 residues pruned to eliminate duplicates Z: 31 35.545 2.106 0.674 0.849 0.900 0.733 CA 1.516 31 residues pruned to eliminate duplicates Z: 7 11.431 2.079 0.416 0.801 1.000 0.667 CB 1.219 7 residues pruned to eliminate duplicates Z: 6 6.652 1.359 0.599 0.852 1.000 1.000 N 1.012 Z: 28 33.408 2.059 0.370 0.925 1.000 0.778 CA 1.599 28 residues pruned to eliminate duplicates Z: 20 18.299 2.059 0.614 0.538 0.789 0.316 CB 1.542 20 residues pruned to eliminate duplicates Z: 30 32.245 1.991 0.493 0.912 0.897 0.379 CB 1.591 28 residues pruned to eliminate duplicates Z: 31 51.231 2.195 1.014 0.920 0.967 0.667 CB 1.541 31 residues pruned to eliminate duplicates Z: 30 35.562 1.915 0.891 0.884 0.931 0.690 CA 1.415 24 residues pruned to eliminate duplicates Z: 16 21.906 1.918 0.920 0.847 0.933 0.733 CB 1.222 17 residues pruned to eliminate duplicates Z: 30 43.059 2.185 0.628 0.914 0.966 0.621 CB 1.646 30 residues pruned to eliminate duplicates Z: 13 24.044 1.946 0.839 0.909 1.000 0.667 CB 1.376 13 residues pruned to eliminate duplicates Z: 16 24.236 2.178 0.755 0.847 0.800 0.667 CA 1.519 16 residues pruned to eliminate duplicates Z: 30 39.534 2.037 0.913 0.893 0.862 0.448 CB 1.568 30 residues pruned to eliminate duplicates Z: 11 7.496 1.801 0.450 0.464 0.800 0.700 CB 1.177 Z: 13 14.573 1.786 0.413 0.867 1.000 0.667 CB 1.219 Z: 16 30.303 2.161 0.783 0.858 0.933 0.667 CA 1.602 17 residues pruned to eliminate duplicates Z: 10 15.508 2.365 0.169 0.840 0.889 0.667 CB 1.569 11 residues pruned to eliminate duplicates Z: 7 8.759 1.731 0.514 0.789 1.000 0.500 CA 1.059 7 residues pruned to eliminate duplicates Z: 12 48.064 2.439 1.354 0.911 1.000 0.727 CA 1.789 13 residues pruned to eliminate duplicates Z: 7 8.803 2.006 -0.113 0.805 1.000 0.667 CB 1.547 7 residues pruned to eliminate duplicates Z: 11 20.210 2.091 0.367 0.879 1.000 0.700 CA 1.621 11 residues pruned to eliminate duplicates Z: 30 43.271 2.144 0.856 0.897 0.931 0.586 CB 1.553 30 residues pruned to eliminate duplicates Z: 29 53.720 2.226 1.041 0.934 1.000 0.357 CB 1.558 29 residues pruned to eliminate duplicates Z: 39 17.998 1.937 0.516 0.410 0.921 0.526 CB 1.186 11 residues pruned to eliminate duplicates Z: 18 31.117 2.084 1.117 0.937 0.941 0.882 CB 1.265 18 residues pruned to eliminate duplicates Z: 17 18.466 1.921 0.304 0.877 0.938 0.812 CB 1.427 17 residues pruned to eliminate duplicates Z: 53 26.928 2.182 0.551 0.394 0.904 0.519 CB 1.365 53 residues pruned to eliminate duplicates Z: 30 54.675 2.202 0.854 0.933 1.000 0.828 CB 1.735 30 residues pruned to eliminate duplicates Z: 30 42.106 2.235 0.556 0.921 0.966 0.828 CB 1.639 30 residues pruned to eliminate duplicates Z: 15 17.506 1.928 0.266 0.866 1.000 0.643 CB 1.404 15 residues pruned to eliminate duplicates Z: 25 39.508 2.157 0.869 0.862 0.958 0.708 CB 1.533 25 residues pruned to eliminate duplicates Z: 24 29.540 1.995 0.785 0.887 0.870 0.652 CB 1.434 24 residues pruned to eliminate duplicates Z: 16 24.922 2.176 0.468 0.844 0.933 0.733 CA 1.605 16 residues pruned to eliminate duplicates Z: 16 19.514 1.938 0.554 0.828 0.933 0.600 CB 1.350 16 residues pruned to eliminate duplicates Z: 12 14.404 1.875 0.417 0.750 0.909 0.636 CA 1.438 12 residues pruned to eliminate duplicates Z: 12 28.335 2.242 0.910 0.873 0.909 0.545 CB 1.598 12 residues pruned to eliminate duplicates Z: 11 8.237 1.874 0.399 0.465 1.000 0.600 CB 1.029 11 residues pruned to eliminate duplicates Z: 15 13.730 1.807 0.446 0.897 1.000 0.643 CB 1.005 13 residues pruned to eliminate duplicates Z: 23 29.402 2.071 0.635 0.940 0.955 0.636 CB 1.347 23 residues pruned to eliminate duplicates Z: 12 22.507 2.091 0.473 0.881 1.000 0.909 CA 1.595 12 residues pruned to eliminate duplicates Z: 38 21.957 1.874 0.491 0.539 0.946 0.757 CB 1.315 40 residues pruned to eliminate duplicates Z: 23 22.734 1.896 0.442 0.898 0.909 0.727 CB 1.395 Z: 13 23.241 2.058 0.714 0.848 0.917 0.500 CB 1.539 13 residues pruned to eliminate duplicates Z: 14 12.454 1.845 0.642 0.481 0.846 0.538 CB 1.374 Z: 13 21.699 2.005 0.508 0.926 1.000 0.917 CB 1.453 13 residues pruned to eliminate duplicates Z: 38 28.998 1.995 0.658 0.759 0.892 0.432 CB 1.284 35 residues pruned to eliminate duplicates Z: 12 23.005 1.982 0.680 0.886 1.000 0.818 CB 1.503 12 residues pruned to eliminate duplicates Z: 25 21.960 1.951 0.646 0.632 0.917 0.667 CB 1.345 25 residues pruned to eliminate duplicates Z: 11 26.048 2.205 0.724 0.834 1.000 0.800 CB 1.625 11 residues pruned to eliminate duplicates Z: 24 27.532 1.889 0.752 0.900 0.957 0.696 CB 1.296 23 residues pruned to eliminate duplicates Z: 13 24.891 2.120 0.643 0.835 1.000 0.917 CA 1.545 14 residues pruned to eliminate duplicates Z: 32 46.257 2.123 0.825 0.913 1.000 0.613 CB 1.518 32 residues pruned to eliminate duplicates Z: 28 12.730 1.975 0.455 0.403 0.741 0.519 CB 1.275 28 residues pruned to eliminate duplicates Z: 12 14.488 1.746 0.349 0.862 1.000 0.545 CB 1.361 Z: 10 11.514 1.885 0.297 0.747 0.778 0.444 CB 1.618 10 residues pruned to eliminate duplicates Z: 25 20.521 1.977 0.504 0.737 0.917 0.500 CB 1.243 25 residues pruned to eliminate duplicates Z: 6 6.119 2.123 -0.019 0.588 0.800 0.600 CB 1.509 6 residues pruned to eliminate duplicates Z: 10 7.923 1.554 0.473 0.504 1.000 0.444 C 1.149 10 residues pruned to eliminate duplicates Z: 9 11.410 1.832 0.321 0.866 1.000 0.500 CB 1.220 7 residues pruned to eliminate duplicates Z: 16 22.275 2.000 0.351 0.915 0.933 0.867 CB 1.612 Z: 13 8.995 1.831 0.179 0.557 0.917 0.667 CB 1.241 Z: 24 33.400 2.025 0.767 0.911 1.000 0.696 CB 1.379 24 residues pruned to eliminate duplicates Z: 11 14.366 2.025 0.324 0.868 0.900 0.800 CB 1.377 12 residues pruned to eliminate duplicates Z: 23 30.934 1.963 0.725 0.918 0.955 0.818 CB 1.438 24 residues pruned to eliminate duplicates Z: 16 30.636 2.174 0.701 0.866 0.933 0.733 CA 1.678 15 residues pruned to eliminate duplicates Z: 13 21.305 1.938 0.395 0.875 1.000 0.833 CA 1.655 13 residues pruned to eliminate duplicates Z: 26 20.917 1.997 0.453 0.612 0.840 0.640 CB 1.544 23 residues pruned to eliminate duplicates Z: 6 6.208 2.011 0.553 0.826 1.000 1.000 CB 0.670 6 residues pruned to eliminate duplicates Z: 30 35.996 2.147 0.417 0.923 1.000 0.931 CA 1.543 30 residues pruned to eliminate duplicates Z: 15 8.262 1.840 0.585 0.494 0.786 0.500 CB 0.970 Z: 27 18.702 1.971 0.309 0.555 0.923 0.615 CB 1.460 27 residues pruned to eliminate duplicates Z: 16 28.393 1.945 0.721 0.933 1.000 0.800 CB 1.529 16 residues pruned to eliminate duplicates Z: 30 53.663 2.196 0.874 0.940 1.000 0.655 CB 1.682 30 residues pruned to eliminate duplicates Z: 32 36.568 2.086 0.500 0.926 0.968 0.871 CB 1.521 32 residues pruned to eliminate duplicates Z: 21 35.036 1.992 0.826 0.922 0.950 0.750 CA 1.595 21 residues pruned to eliminate duplicates Z: 41 34.549 1.989 0.644 0.633 1.000 0.700 CB 1.474 41 residues pruned to eliminate duplicates Z: 8 14.283 1.930 0.886 0.841 0.857 0.857 CB 1.290 Z: 19 26.963 2.086 0.726 0.894 0.944 0.722 CB 1.340 19 residues pruned to eliminate duplicates Z: 10 22.660 2.047 0.656 0.886 1.000 0.889 CB 1.607 10 residues pruned to eliminate duplicates Z: 10 10.984 1.937 0.471 0.871 0.778 0.556 CA 1.205 10 residues pruned to eliminate duplicates Z: 24 29.453 2.035 0.465 0.904 0.957 0.913 CB 1.533 24 residues pruned to eliminate duplicates Z: 10 7.504 1.879 0.662 0.416 0.778 0.333 CB 1.125 Z: 21 25.464 1.953 0.845 0.875 0.900 0.450 CB 1.277 20 residues pruned to eliminate duplicates Z: 28 29.801 1.949 0.619 0.889 0.963 0.741 CB 1.359 28 residues pruned to eliminate duplicates Z: 29 34.020 1.947 0.579 0.918 1.000 0.893 CA 1.474 29 residues pruned to eliminate duplicates Z: 23 27.582 2.020 0.471 0.905 0.955 0.909 CB 1.475 23 residues pruned to eliminate duplicates Z: 13 45.048 2.336 1.298 0.940 1.000 0.833 CA 1.682 13 residues pruned to eliminate duplicates Z: 16 25.584 2.161 0.412 0.900 0.933 0.867 CA 1.656 16 residues pruned to eliminate duplicates Z: 18 21.980 1.929 0.560 0.896 1.000 0.647 CB 1.269 18 residues pruned to eliminate duplicates Z: 10 12.657 2.015 0.316 0.810 0.889 0.667 CB 1.367 10 residues pruned to eliminate duplicates Z: 12 16.625 1.942 0.674 0.806 0.909 0.727 CA 1.299 12 residues pruned to eliminate duplicates Z: 24 21.979 1.907 0.499 0.845 0.957 0.652 CB 1.246 24 residues pruned to eliminate duplicates Z: 22 31.741 2.027 0.605 0.891 1.000 0.667 CB 1.531 22 residues pruned to eliminate duplicates Z: 28 29.472 1.948 0.464 0.897 0.963 0.815 CA 1.478 28 residues pruned to eliminate duplicates Z: 13 22.001 1.906 0.525 0.884 1.000 0.833 CA 1.578 13 residues pruned to eliminate duplicates Z: 35 22.506 1.968 0.425 0.556 0.882 0.618 CB 1.477 36 residues pruned to eliminate duplicates Z: 26 29.723 1.951 0.680 0.886 0.960 0.800 CB 1.363 26 residues pruned to eliminate duplicates Z: 15 21.231 2.090 0.476 0.858 1.000 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 14 27.986 2.057 0.744 0.890 0.923 0.769 CB 1.686 14 residues pruned to eliminate duplicates Z: 13 24.240 1.972 0.717 0.906 1.000 0.833 CA 1.470 13 residues pruned to eliminate duplicates Z: 14 21.309 1.934 0.843 0.828 0.846 0.769 CA 1.475 13 residues pruned to eliminate duplicates Z: 8 5.653 1.839 0.033 0.559 0.857 0.857 CB 1.239 8 residues pruned to eliminate duplicates Z: 21 9.489 1.660 0.567 0.404 0.750 0.550 CB 1.204 11 residues pruned to eliminate duplicates Z: 16 24.196 2.087 0.617 0.875 0.867 0.867 CA 1.553 16 residues pruned to eliminate duplicates Z: 16 19.544 1.990 0.250 0.910 0.933 0.800 CB 1.542 16 residues pruned to eliminate duplicates Z: 14 32.752 2.199 1.084 0.874 0.923 0.538 CB 1.562 14 residues pruned to eliminate duplicates Z: 14 31.742 2.290 0.647 0.906 0.923 0.769 CA 1.799 14 residues pruned to eliminate duplicates Z: 6 5.475 1.884 0.528 0.380 0.800 0.800 CB 1.207 Z: 10 7.739 1.879 0.468 0.788 0.889 0.556 CB 0.817 10 residues pruned to eliminate duplicates Z: 45 48.320 2.299 0.818 0.699 0.909 0.659 CA 1.600 49 residues pruned to eliminate duplicates Z: 11 17.843 2.256 0.063 0.883 1.000 0.800 CB 1.701 11 residues pruned to eliminate duplicates Z: 23 32.960 2.159 0.730 0.864 0.909 0.773 CA 1.518 23 residues pruned to eliminate duplicates Z: 11 3.228 1.794 0.100 0.374 0.600 0.300 CB 0.986 Z: 17 25.232 2.028 0.623 0.858 1.000 0.812 CA 1.412 16 residues pruned to eliminate duplicates Z: 90 53.320 2.171 0.684 0.549 0.955 0.573 CA 1.544 90 residues pruned to eliminate duplicates Z: 20 16.630 2.195 0.374 0.470 0.895 0.474 CB 1.458 21 residues pruned to eliminate duplicates Z: 8 18.630 2.183 0.412 0.858 1.000 0.571 CB 1.682 8 residues pruned to eliminate duplicates Z: 8 4.590 1.699 -0.145 0.570 1.000 0.571 CB 1.117 Z: 17 26.059 1.878 0.866 0.926 1.000 0.625 CB 1.304 16 residues pruned to eliminate duplicates Z: 13 17.855 1.884 0.537 0.874 0.917 0.583 CB 1.414 14 residues pruned to eliminate duplicates Z: 9 10.678 1.770 0.393 0.764 1.000 0.750 CA 1.212 9 residues pruned to eliminate duplicates Z: 35 22.086 1.931 0.607 0.723 0.853 0.294 CB 1.170 35 residues pruned to eliminate duplicates Z: 23 17.329 2.024 0.703 0.448 0.864 0.500 CB 1.310 23 residues pruned to eliminate duplicates Z: 12 45.290 2.412 1.230 0.909 1.000 0.455 CA 1.802 12 residues pruned to eliminate duplicates Z: 12 11.259 1.845 0.550 0.791 0.818 0.636 CB 1.124 12 residues pruned to eliminate duplicates Z: 12 43.962 2.347 1.377 0.904 1.000 0.455 CA 1.692 12 residues pruned to eliminate duplicates Z: 8 4.071 1.890 -0.003 0.811 0.857 0.429 CB 0.727 6 residues pruned to eliminate duplicates Z: 25 41.233 2.099 1.112 0.921 0.875 0.333 CB 1.528 25 residues pruned to eliminate duplicates Z: 18 19.161 1.842 0.537 0.811 0.882 0.765 CB 1.419 18 residues pruned to eliminate duplicates Z: 14 35.281 2.147 1.293 0.886 1.000 0.385 CB 1.435 14 residues pruned to eliminate duplicates Z: 8 13.872 1.823 0.703 0.680 1.000 0.571 CB 1.431 8 residues pruned to eliminate duplicates Z: 16 32.894 2.192 0.629 0.903 1.000 0.933 CA 1.696 16 residues pruned to eliminate duplicates Z: 9 11.766 1.945 0.506 0.808 0.750 0.750 CB 1.448 9 residues pruned to eliminate duplicates Z: 13 21.448 1.894 0.764 0.865 0.917 0.833 CB 1.482 13 residues pruned to eliminate duplicates Z: 15 21.860 1.973 0.468 0.854 1.000 0.714 CA 1.490 15 residues pruned to eliminate duplicates Z: 31 30.919 2.122 0.770 0.862 0.833 0.333 CB 1.325 31 residues pruned to eliminate duplicates Z: 31 42.163 2.201 0.559 0.932 0.967 0.900 CB 1.621 31 residues pruned to eliminate duplicates Z: 16 8.192 1.726 0.446 0.469 0.733 0.400 CB 1.193 16 residues pruned to eliminate duplicates Z: 15 20.344 2.081 0.667 0.856 0.929 0.786 CB 1.245 15 residues pruned to eliminate duplicates Z: 30 25.467 2.062 0.652 0.633 0.897 0.621 CB 1.367 20 residues pruned to eliminate duplicates Z: 8 2.700 1.791 0.182 0.489 0.571 0.429 CB 0.853 Z: 14 15.325 1.939 0.183 0.842 0.923 0.769 CB 1.495 14 residues pruned to eliminate duplicates Z: 9 20.284 2.025 0.655 0.858 1.000 0.500 CA 1.576 9 residues pruned to eliminate duplicates Z: 31 40.627 2.196 0.495 0.928 0.967 0.900 CB 1.637 31 residues pruned to eliminate duplicates Z: 12 12.348 1.627 0.534 0.793 1.000 0.636 CB 1.154 12 residues pruned to eliminate duplicates Z: 17 19.029 1.890 0.657 0.811 0.875 0.625 CB 1.325 17 residues pruned to eliminate duplicates Z: 11 25.703 2.122 0.786 0.922 1.000 0.600 CB 1.508 11 residues pruned to eliminate duplicates Z: 28 37.359 2.059 0.528 0.927 1.000 0.889 CA 1.600 28 residues pruned to eliminate duplicates Z: 12 13.249 1.918 0.365 0.882 1.000 0.636 CB 1.104 12 residues pruned to eliminate duplicates Z: 30 28.492 2.066 0.588 0.628 1.000 0.655 CB 1.429 30 residues pruned to eliminate duplicates Z: 18 33.131 2.165 0.920 0.922 0.941 0.824 CB 1.445 18 residues pruned to eliminate duplicates Z: 21 33.413 2.111 0.711 0.920 0.900 0.650 CA 1.619 21 residues pruned to eliminate duplicates Z: 11 19.855 2.198 0.408 0.861 1.000 0.900 CA 1.490 11 residues pruned to eliminate duplicates Z: 31 49.183 2.150 0.888 0.945 0.933 0.533 CB 1.640 31 residues pruned to eliminate duplicates Z: 11 15.317 1.737 0.442 0.858 1.000 1.000 CA 1.424 11 residues pruned to eliminate duplicates Z: 28 42.568 2.064 0.791 0.924 0.963 0.481 CB 1.616 28 residues pruned to eliminate duplicates Z: 30 31.127 1.945 0.354 0.914 1.000 0.793 CA 1.553 30 residues pruned to eliminate duplicates Z: 18 26.501 2.059 0.612 0.796 1.000 0.824 CA 1.495 18 residues pruned to eliminate duplicates Z: 23 21.553 1.905 0.763 0.887 0.818 0.545 CB 1.206 23 residues pruned to eliminate duplicates Z: 12 16.797 2.029 0.560 0.871 1.000 0.818 CA 1.166 12 residues pruned to eliminate duplicates Z: 48 46.459 2.229 0.877 0.667 0.894 0.681 CA 1.553 48 residues pruned to eliminate duplicates Z: 12 23.986 2.010 0.777 0.929 1.000 0.909 CB 1.418 12 residues pruned to eliminate duplicates Z: 35 19.062 2.022 0.678 0.523 0.853 0.529 CB 1.104 34 residues pruned to eliminate duplicates Z: 20 18.680 2.150 0.580 0.381 0.895 0.579 CB 1.601 20 residues pruned to eliminate duplicates Z: 13 23.343 1.996 0.791 0.867 0.917 0.750 CB 1.505 13 residues pruned to eliminate duplicates Z: 16 23.987 1.992 0.517 0.929 0.933 0.533 CB 1.537 16 residues pruned to eliminate duplicates Z: 30 23.691 1.986 0.624 0.780 0.897 0.379 CB 1.189 30 residues pruned to eliminate duplicates Z: 24 29.380 1.913 0.732 0.903 0.957 0.478 CB 1.378 24 residues pruned to eliminate duplicates Z: 9 17.527 2.060 0.519 0.826 0.875 0.750 N 1.707 9 residues pruned to eliminate duplicates Z: 12 8.208 1.847 0.486 0.423 0.909 0.545 CB 1.075 10 residues pruned to eliminate duplicates Z: 25 14.100 1.900 0.522 0.419 0.792 0.458 CB 1.369 25 residues pruned to eliminate duplicates Z: 14 20.443 1.954 0.557 0.875 0.923 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 16 26.544 2.048 0.431 0.908 1.000 0.867 CB 1.661 16 residues pruned to eliminate duplicates Z: 13 26.766 1.955 0.666 0.929 1.000 1.000 N 1.660 13 residues pruned to eliminate duplicates Z: 28 41.347 2.001 0.986 0.924 0.926 0.407 CB 1.518 28 residues pruned to eliminate duplicates Z: 17 23.861 1.890 0.660 0.884 1.000 0.812 CB 1.374 17 residues pruned to eliminate duplicates Z: 50 29.554 1.912 0.580 0.709 0.878 0.571 CB 1.317 50 residues pruned to eliminate duplicates Z: 24 28.736 2.001 0.564 0.873 0.913 0.783 CA 1.528 24 residues pruned to eliminate duplicates Z: 10 5.855 2.000 0.223 0.248 0.778 0.444 N 1.371 10 residues pruned to eliminate duplicates Z: 16 31.847 2.150 0.731 0.907 0.933 0.600 CA 1.683 16 residues pruned to eliminate duplicates Z: 17 22.346 1.953 0.558 0.855 0.938 0.750 CB 1.446 17 residues pruned to eliminate duplicates Z: 9 17.440 2.046 0.505 0.884 1.000 0.875 CA 1.447 9 residues pruned to eliminate duplicates Z: 13 21.386 1.877 0.801 0.772 0.917 0.750 CA 1.567 13 residues pruned to eliminate duplicates Z: 18 15.789 1.966 0.358 0.698 0.824 0.765 CB 1.454 18 residues pruned to eliminate duplicates Z: 17 20.575 1.908 0.621 0.845 0.938 0.812 CB 1.319 17 residues pruned to eliminate duplicates Z: 28 19.112 2.044 0.625 0.502 0.815 0.444 CB 1.356 27 residues pruned to eliminate duplicates Z: 9 11.998 2.246 0.494 0.466 1.000 0.625 CA 1.308 9 residues pruned to eliminate duplicates Z: 12 19.207 2.012 0.413 0.890 1.000 1.000 CB 1.465 12 residues pruned to eliminate duplicates Z: 23 29.050 2.050 0.328 0.908 1.000 0.818 CB 1.616 23 residues pruned to eliminate duplicates Z: 23 29.700 1.914 0.631 0.927 1.000 0.727 CB 1.421 23 residues pruned to eliminate duplicates Z: 6 3.843 1.900 0.038 0.459 0.800 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 16 22.662 2.025 0.714 0.754 0.867 0.600 CB 1.550 15 residues pruned to eliminate duplicates Z: 11 12.245 1.912 0.554 0.848 0.800 0.600 CB 1.209 11 residues pruned to eliminate duplicates Z: 8 7.637 2.071 0.180 0.597 1.000 0.714 CB 1.076 10 residues pruned to eliminate duplicates Z: 14 32.956 2.074 1.093 0.906 1.000 0.846 CA 1.498 14 residues pruned to eliminate duplicates Z: 15 21.641 2.003 0.454 0.873 0.929 0.857 CB 1.558 15 residues pruned to eliminate duplicates Z: 16 21.130 2.004 0.603 0.851 0.867 0.733 CB 1.450 16 residues pruned to eliminate duplicates Z: 23 28.864 2.063 0.400 0.889 0.955 0.773 CB 1.607 23 residues pruned to eliminate duplicates Z: 15 24.970 1.837 0.771 0.866 1.000 0.857 CB 1.502 15 residues pruned to eliminate duplicates Z: 14 25.872 2.051 0.526 0.882 1.000 0.923 CA 1.659 14 residues pruned to eliminate duplicates Z: 13 17.207 1.890 0.508 0.784 0.833 0.583 CB 1.629 13 residues pruned to eliminate duplicates Z: 17 17.802 1.652 0.519 0.880 0.938 0.500 CB 1.371 Z: 41 39.228 2.067 0.839 0.850 0.875 0.475 CB 1.381 41 residues pruned to eliminate duplicates Z: 31 51.710 2.157 0.890 0.943 1.000 0.733 CA 1.605 31 residues pruned to eliminate duplicates Z: 16 22.683 2.148 0.375 0.833 0.933 0.867 CA 1.594 16 residues pruned to eliminate duplicates Z: 24 24.953 1.867 0.403 0.885 1.000 0.913 CB 1.435 24 residues pruned to eliminate duplicates Z: 11 14.955 1.903 0.478 0.810 0.900 0.800 CB 1.426 11 residues pruned to eliminate duplicates Z: 13 9.753 1.837 0.213 0.540 1.000 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 15 18.306 1.937 0.505 0.886 0.929 0.643 CB 1.303 15 residues pruned to eliminate duplicates Z: 16 15.865 1.883 0.697 0.500 0.933 0.533 CB 1.374 16 residues pruned to eliminate duplicates Z: 20 22.949 1.925 0.835 0.853 0.895 0.579 CB 1.232 20 residues pruned to eliminate duplicates Z: 24 28.307 2.007 0.463 0.885 0.957 0.870 CB 1.518 24 residues pruned to eliminate duplicates Z: 16 16.967 1.905 0.259 0.841 0.933 0.800 CB 1.459 15 residues pruned to eliminate duplicates Z: 50 46.279 2.193 0.718 0.736 0.898 0.755 CB 1.581 50 residues pruned to eliminate duplicates Z: 31 24.824 2.003 0.588 0.600 0.967 0.567 CB 1.340 31 residues pruned to eliminate duplicates Z: 23 26.870 1.907 0.568 0.903 0.955 0.773 CB 1.431 23 residues pruned to eliminate duplicates Z: 7 3.674 1.571 0.685 0.461 0.833 0.500 CB 0.708 7 residues pruned to eliminate duplicates Z: 9 3.580 1.808 -0.003 0.590 0.875 0.875 CB 0.736 Z: 10 16.347 2.102 0.321 0.826 0.889 0.889 CB 1.665 10 residues pruned to eliminate duplicates Z: 10 7.740 1.657 0.126 0.659 1.000 0.556 CB 1.193 10 residues pruned to eliminate duplicates Z: 29 19.825 2.022 0.600 0.597 0.821 0.536 CB 1.286 16 residues pruned to eliminate duplicates Z: 32 42.136 2.124 0.685 0.941 0.968 0.806 CB 1.515 32 residues pruned to eliminate duplicates Z: 16 27.331 2.195 0.617 0.844 0.933 0.933 CA 1.585 16 residues pruned to eliminate duplicates Z: 7 7.543 1.925 0.357 0.576 1.000 0.333 CB 1.096 7 residues pruned to eliminate duplicates Z: 9 16.401 1.979 0.478 0.830 1.000 0.875 N 1.491 9 residues pruned to eliminate duplicates Z: 57 48.473 2.196 0.527 0.822 0.929 0.804 CA 1.574 57 residues pruned to eliminate duplicates Z: 29 36.971 2.167 0.742 0.877 0.857 0.750 CB 1.568 29 residues pruned to eliminate duplicates Z: 14 9.250 2.086 0.201 0.491 0.846 0.769 CB 1.222 15 residues pruned to eliminate duplicates Z: 10 13.081 1.892 0.569 0.826 0.889 0.778 CB 1.246 14 residues pruned to eliminate duplicates Z: 63 33.777 2.001 0.518 0.585 0.952 0.645 CB 1.368 63 residues pruned to eliminate duplicates Z: 8 27.120 2.233 0.983 0.906 1.000 0.857 CA 1.645 8 residues pruned to eliminate duplicates Z: 16 15.965 1.966 0.366 0.820 0.867 0.800 CB 1.341 16 residues pruned to eliminate duplicates Z: 15 30.293 2.168 0.778 0.881 0.929 0.571 CB 1.638 15 residues pruned to eliminate duplicates Z: 27 27.534 1.980 0.309 0.906 0.962 0.808 CA 1.541 27 residues pruned to eliminate duplicates Z: 7 11.024 2.057 0.691 0.745 0.833 0.833 CA 1.247 7 residues pruned to eliminate duplicates Z: 13 12.296 1.538 0.658 0.831 0.917 0.500 CB 1.140 8 residues pruned to eliminate duplicates Z: 15 10.417 1.968 0.406 0.473 0.857 0.500 CB 1.206 15 residues pruned to eliminate duplicates Z: 20 26.225 1.925 0.664 0.902 0.947 0.632 CB 1.415 20 residues pruned to eliminate duplicates Z: 15 21.998 2.107 0.581 0.809 0.929 0.429 CB 1.451 15 residues pruned to eliminate duplicates Z: 11 23.762 2.023 0.761 0.929 1.000 0.900 CB 1.476 11 residues pruned to eliminate duplicates Z: 27 35.113 2.012 0.992 0.913 0.923 0.769 CB 1.318 27 residues pruned to eliminate duplicates Z: 16 23.240 1.998 0.296 0.902 1.000 0.867 CB 1.653 16 residues pruned to eliminate duplicates Z: 8 11.250 1.899 0.443 0.827 1.000 0.857 CB 1.169 8 residues pruned to eliminate duplicates Z: 16 24.787 1.979 0.506 0.926 1.000 0.600 CB 1.506 16 residues pruned to eliminate duplicates Z: 14 17.725 1.968 0.296 0.893 1.000 0.769 CA 1.384 13 residues pruned to eliminate duplicates Z: 29 14.631 1.826 0.456 0.513 0.893 0.393 CB 1.149 29 residues pruned to eliminate duplicates Z: 14 16.269 1.710 0.537 0.897 1.000 0.769 CB 1.229 Z: 45 26.649 2.057 0.405 0.627 0.864 0.545 CB 1.429 38 residues pruned to eliminate duplicates Z: 16 25.212 2.171 0.430 0.836 1.000 0.867 CA 1.569 17 residues pruned to eliminate duplicates Z: 9 7.507 1.889 0.374 0.767 0.875 0.750 CB 0.922 Z: 16 38.352 2.218 0.734 0.917 1.000 0.867 CA 1.817 16 residues pruned to eliminate duplicates Z: 30 20.843 2.004 0.488 0.540 0.897 0.655 CB 1.392 30 residues pruned to eliminate duplicates Z: 23 22.438 1.923 0.474 0.830 0.909 0.773 CB 1.396 23 residues pruned to eliminate duplicates Z: 16 16.541 1.834 0.400 0.883 1.000 0.733 CB 1.202 16 residues pruned to eliminate duplicates Z: 12 13.666 1.714 0.715 0.888 0.818 0.545 CB 1.234 13 residues pruned to eliminate duplicates Z: 19 9.958 1.704 0.246 0.471 0.889 0.444 CB 1.281 13 residues pruned to eliminate duplicates Z: 18 18.062 1.792 0.443 0.857 1.000 0.824 CB 1.248 18 residues pruned to eliminate duplicates Z: 17 6.492 1.660 0.361 0.312 0.812 0.625 CB 1.088 17 residues pruned to eliminate duplicates Z: 8 9.883 1.847 0.284 0.886 1.000 0.714 CB 1.136 8 residues pruned to eliminate duplicates Z: 15 19.347 1.898 0.357 0.919 1.000 1.000 CB 1.415 15 residues pruned to eliminate duplicates Z: 30 17.095 2.097 0.468 0.324 0.828 0.379 CB 1.512 30 residues pruned to eliminate duplicates Z: 7 6.494 1.946 0.202 0.878 1.000 1.000 CB 0.823 7 residues pruned to eliminate duplicates Z: 10 13.706 2.036 0.399 0.901 1.000 0.778 CB 1.145 10 residues pruned to eliminate duplicates Z: 39 53.838 2.330 0.946 0.798 0.947 0.816 CA 1.566 39 residues pruned to eliminate duplicates Z: 14 13.805 1.848 0.308 0.771 0.846 0.692 CB 1.472 14 residues pruned to eliminate duplicates Z: 9 9.745 1.660 0.221 0.842 1.000 0.625 O 1.266 9 residues pruned to eliminate duplicates Z: 13 10.917 1.621 0.043 0.876 1.000 0.917 O 1.354 13 residues pruned to eliminate duplicates Z: 8 6.379 1.823 0.229 0.825 0.714 0.714 CB 1.136 8 residues pruned to eliminate duplicates Z: 32 47.315 2.130 0.980 0.924 0.968 0.774 CB 1.462 32 residues pruned to eliminate duplicates Z: 23 31.545 2.039 0.410 0.928 1.000 0.818 CA 1.638 23 residues pruned to eliminate duplicates Z: 20 19.380 2.273 0.417 0.530 0.895 0.579 CB 1.498 20 residues pruned to eliminate duplicates Z: 8 22.230 2.311 0.705 0.893 1.000 1.000 CB 1.531 7 residues pruned to eliminate duplicates Z: 39 31.846 2.047 0.773 0.560 0.921 0.579 CA 1.457 39 residues pruned to eliminate duplicates Z: 16 21.276 1.910 0.539 0.836 1.000 0.600 CB 1.399 15 residues pruned to eliminate duplicates Z: 17 25.214 2.140 0.437 0.807 1.000 0.812 CA 1.568 17 residues pruned to eliminate duplicates Z: 18 10.784 1.978 0.458 0.440 0.765 0.588 CB 1.262 18 residues pruned to eliminate duplicates Z: 7 5.048 1.909 0.020 0.331 0.833 0.500 CB 1.528 7 residues pruned to eliminate duplicates Z: 22 13.809 1.999 0.429 0.433 0.857 0.429 CB 1.319 17 residues pruned to eliminate duplicates Z: 39 28.571 2.010 0.631 0.701 0.868 0.447 CB 1.356 39 residues pruned to eliminate duplicates Z: 43 14.200 1.929 0.385 0.386 0.810 0.476 CB 1.143 43 residues pruned to eliminate duplicates Z: 14 18.238 1.858 0.431 0.864 1.000 0.846 CB 1.395 14 residues pruned to eliminate duplicates Z: 11 13.863 1.933 0.604 0.886 1.000 0.800 CB 1.020 9 residues pruned to eliminate duplicates Z: 13 22.783 1.919 0.600 0.890 1.000 0.833 CA 1.541 12 residues pruned to eliminate duplicates Z: 9 17.857 2.022 0.571 0.883 1.000 0.875 CB 1.438 9 residues pruned to eliminate duplicates Z: 6 11.625 1.948 0.867 0.662 0.800 0.800 CB 1.537 Z: 8 17.950 1.988 0.916 0.882 1.000 0.714 CB 1.288 8 residues pruned to eliminate duplicates Z: 8 6.840 1.674 0.661 0.817 1.000 0.429 CB 0.706 Z: 8 8.392 1.887 0.059 0.828 0.857 0.714 CB 1.394 8 residues pruned to eliminate duplicates Z: 16 23.008 1.921 0.640 0.903 0.933 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 9 16.651 2.103 0.329 0.854 1.000 0.875 CA 1.555 9 residues pruned to eliminate duplicates Z: 19 12.365 1.970 0.032 0.599 0.944 0.667 CB 1.382 19 residues pruned to eliminate duplicates Z: 12 11.959 1.772 0.225 0.860 1.000 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 9 11.034 1.818 0.498 0.834 0.875 0.750 CA 1.227 9 residues pruned to eliminate duplicates Z: 21 26.582 1.990 0.488 0.913 1.000 0.800 CB 1.421 21 residues pruned to eliminate duplicates Z: 19 28.036 1.986 0.682 0.884 0.944 0.722 CB 1.514 19 residues pruned to eliminate duplicates Z: 19 27.727 2.027 0.968 0.874 0.944 0.611 CB 1.263 19 residues pruned to eliminate duplicates Z: 14 28.707 1.932 0.792 0.919 1.000 0.769 N 1.621 15 residues pruned to eliminate duplicates Z: 12 19.742 1.860 0.664 0.898 1.000 0.909 CB 1.375 12 residues pruned to eliminate duplicates Z: 10 13.514 1.956 0.598 0.839 1.000 0.667 CB 1.076 10 residues pruned to eliminate duplicates Z: 14 20.561 1.878 0.421 0.901 0.923 0.923 CA 1.652 14 residues pruned to eliminate duplicates Z: 28 31.905 1.941 0.464 0.899 0.963 0.815 CB 1.605 28 residues pruned to eliminate duplicates Z: 23 35.318 2.084 0.696 0.893 1.000 0.864 CB 1.529 23 residues pruned to eliminate duplicates Z: 17 22.756 2.118 0.542 0.785 0.875 0.812 CA 1.549 17 residues pruned to eliminate duplicates Z: 12 25.350 1.951 0.696 0.914 1.000 1.000 CB 1.634 12 residues pruned to eliminate duplicates Z: 10 5.956 1.543 0.825 0.173 0.889 0.556 CB 1.179 Z: 21 15.155 1.684 0.139 0.946 1.000 1.000 O 1.222 8 residues pruned to eliminate duplicates Z: 9 8.805 1.540 0.423 0.890 1.000 1.000 CB 1.022 10 residues pruned to eliminate duplicates Z: 18 7.998 1.760 0.231 0.341 0.882 0.588 CB 1.206 25 residues pruned to eliminate duplicates Z: 23 22.625 1.930 0.423 0.896 0.955 0.773 CB 1.318 23 residues pruned to eliminate duplicates Z: 9 16.397 2.002 0.444 0.843 0.875 0.875 N 1.705 9 residues pruned to eliminate duplicates Z: 28 35.088 2.024 0.670 0.888 0.926 0.704 CB 1.554 28 residues pruned to eliminate duplicates Z: 6 2.288 1.661 0.152 0.447 0.600 0.400 CA 0.942 Z: 9 5.189 1.648 0.487 0.397 0.750 0.500 CB 1.113 Z: 29 22.761 1.942 0.576 0.586 0.893 0.714 CB 1.449 30 residues pruned to eliminate duplicates Z: 29 22.190 2.042 0.487 0.599 0.893 0.500 CB 1.407 29 residues pruned to eliminate duplicates Z: 17 30.057 2.138 0.703 0.876 1.000 0.750 CA 1.501 17 residues pruned to eliminate duplicates Z: 16 26.355 1.992 0.521 0.937 1.000 0.800 CB 1.563 16 residues pruned to eliminate duplicates Z: 9 15.757 1.613 1.156 0.887 0.875 0.875 CB 1.320 8 residues pruned to eliminate duplicates Z: 28 29.189 2.122 0.590 0.706 0.926 0.630 CB 1.491 28 residues pruned to eliminate duplicates Z: 17 17.218 1.799 0.321 0.939 1.000 0.938 CB 1.258 17 residues pruned to eliminate duplicates Z: 31 48.562 2.180 1.016 0.921 0.933 0.567 CB 1.521 31 residues pruned to eliminate duplicates Z: 30 26.287 2.075 0.574 0.565 0.931 0.517 CB 1.507 27 residues pruned to eliminate duplicates Z: 12 11.934 1.843 0.534 0.863 1.000 0.636 CB 0.934 12 residues pruned to eliminate duplicates Z: 36 20.640 2.114 0.474 0.410 0.857 0.657 CB 1.436 36 residues pruned to eliminate duplicates Z: 7 5.169 1.716 0.312 0.470 0.833 0.667 CB 1.159 Z: 30 41.463 2.017 0.576 0.931 1.000 0.897 CA 1.693 30 residues pruned to eliminate duplicates Z: 14 16.850 2.078 0.438 0.668 0.923 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 63 30.082 2.009 0.517 0.535 0.887 0.565 CB 1.365 63 residues pruned to eliminate duplicates Z: 16 25.240 1.947 0.725 0.882 1.000 0.800 CB 1.404 14 residues pruned to eliminate duplicates Z: 32 27.527 2.016 0.714 0.624 0.968 0.645 CB 1.316 31 residues pruned to eliminate duplicates Z: 9 16.481 1.716 0.818 0.867 1.000 0.625 CB 1.367 Z: 14 20.081 1.970 0.463 0.905 1.000 0.846 CA 1.376 14 residues pruned to eliminate duplicates Z: 20 21.473 1.992 0.640 0.589 0.842 0.526 CB 1.645 20 residues pruned to eliminate duplicates Z: 16 20.415 1.998 0.738 0.777 0.867 0.667 CB 1.372 16 residues pruned to eliminate duplicates Z: 16 25.367 2.035 0.560 0.934 0.933 0.733 CB 1.541 16 residues pruned to eliminate duplicates Z: 30 32.707 1.976 0.334 0.916 0.966 0.897 O 1.686 30 residues pruned to eliminate duplicates Z: 11 8.055 1.614 0.469 0.702 0.800 0.400 CB 1.117 11 residues pruned to eliminate duplicates Z: 9 10.481 1.851 0.503 0.827 0.875 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 30 25.022 2.015 0.521 0.585 0.897 0.586 CB 1.558 29 residues pruned to eliminate duplicates Z: 16 12.730 1.713 0.487 0.819 0.933 0.667 CB 1.049 16 residues pruned to eliminate duplicates Z: 9 10.535 1.778 0.428 0.890 1.000 0.750 CB 1.055 9 residues pruned to eliminate duplicates Z: 15 18.910 1.958 0.148 0.926 1.000 1.000 CB 1.577 15 residues pruned to eliminate duplicates Z: 16 21.298 1.972 0.390 0.909 0.933 0.867 CB 1.526 16 residues pruned to eliminate duplicates Z: 10 17.427 2.295 0.313 0.789 0.889 0.667 CA 1.683 10 residues pruned to eliminate duplicates Z: 38 23.659 2.101 0.555 0.464 0.865 0.541 CB 1.428 32 residues pruned to eliminate duplicates Z: 6 7.279 2.107 0.153 0.625 0.800 0.800 CB 1.490 6 residues pruned to eliminate duplicates Z: 18 25.097 1.960 0.827 0.865 0.941 0.765 CB 1.323 18 residues pruned to eliminate duplicates Z: 14 12.350 1.818 0.392 0.927 0.923 0.846 CB 1.028 14 residues pruned to eliminate duplicates Z: 8 12.509 1.736 0.896 0.868 0.857 0.857 CB 1.225 8 residues pruned to eliminate duplicates Z: 13 15.387 1.738 0.589 0.875 1.000 0.583 CB 1.169 11 residues pruned to eliminate duplicates Z: 36 15.479 1.938 0.436 0.470 0.886 0.657 CB 1.094 36 residues pruned to eliminate duplicates Z: 28 38.599 1.953 1.048 0.931 0.963 0.593 CB 1.348 28 residues pruned to eliminate duplicates Z: 10 17.656 1.969 0.799 0.881 0.889 0.556 CA 1.353 10 residues pruned to eliminate duplicates Z: 32 20.315 1.961 0.642 0.505 0.871 0.452 CB 1.295 32 residues pruned to eliminate duplicates Z: 16 10.710 1.656 0.162 0.846 0.867 0.733 CB 1.231 16 residues pruned to eliminate duplicates Z: 7 8.253 2.071 0.345 0.757 0.833 0.500 CB 1.154 7 residues pruned to eliminate duplicates Z: 21 32.011 2.053 0.968 0.917 0.950 0.450 CB 1.316 21 residues pruned to eliminate duplicates Z: 22 19.554 1.698 0.421 0.913 1.000 0.810 CB 1.252 21 residues pruned to eliminate duplicates Z: 67 30.578 1.971 0.522 0.557 0.924 0.667 CB 1.284 67 residues pruned to eliminate duplicates Z: 11 8.780 1.652 0.188 0.803 0.800 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 12 12.810 1.827 0.610 0.510 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 7 3.015 1.812 0.455 0.248 0.667 0.500 N 0.936 Z: 9 17.616 2.067 0.474 0.829 1.000 0.625 CB 1.539 9 residues pruned to eliminate duplicates Z: 13 9.446 1.736 0.154 0.814 0.917 0.750 CB 1.130 13 residues pruned to eliminate duplicates Z: 12 20.146 1.981 0.730 0.842 0.909 0.727 CB 1.453 12 residues pruned to eliminate duplicates Z: 17 15.224 1.758 0.334 0.918 1.000 0.938 CB 1.145 17 residues pruned to eliminate duplicates Z: 10 17.169 1.865 0.652 0.910 0.889 0.778 CB 1.482 10 residues pruned to eliminate duplicates Z: 18 18.827 1.670 0.426 0.928 1.000 0.588 CB 1.343 18 residues pruned to eliminate duplicates Z: 16 13.258 1.732 0.491 0.691 0.867 0.600 CB 1.284 20 residues pruned to eliminate duplicates Z: 14 16.498 1.687 0.529 0.889 1.000 0.615 CB 1.277 13 residues pruned to eliminate duplicates Z: 16 21.207 1.999 0.653 0.770 0.867 0.733 CB 1.506 16 residues pruned to eliminate duplicates Z: 13 12.370 1.756 0.137 0.893 1.000 0.833 CB 1.284 13 residues pruned to eliminate duplicates Z: 8 9.347 1.934 0.381 0.640 0.857 0.571 N 1.354 8 residues pruned to eliminate duplicates Z: 19 14.894 1.730 0.364 0.928 1.000 0.889 CB 1.042 19 residues pruned to eliminate duplicates Z: 43 28.264 2.057 0.755 0.554 0.881 0.571 CB 1.301 43 residues pruned to eliminate duplicates Z: 7 2.942 1.307 0.317 0.637 0.833 0.667 CA 0.737 7 residues pruned to eliminate duplicates Z: 65 44.367 2.152 0.786 0.508 0.922 0.594 CB 1.553 65 residues pruned to eliminate duplicates Z: 16 24.716 2.120 0.427 0.908 0.933 0.733 CA 1.604 16 residues pruned to eliminate duplicates Z: 15 20.229 2.031 0.444 0.867 0.929 0.857 CB 1.453 15 residues pruned to eliminate duplicates Z: 6 2.707 1.618 0.125 0.385 0.800 0.400 CB 0.940 Z: 22 15.340 1.899 0.505 0.513 0.857 0.714 CB 1.348 22 residues pruned to eliminate duplicates Z: 8 19.096 2.184 0.391 0.879 1.000 0.714 N 1.723 8 residues pruned to eliminate duplicates Z: 8 7.941 1.890 0.302 0.606 0.857 0.714 CB 1.286 8 residues pruned to eliminate duplicates Z: 24 10.014 1.916 0.345 0.328 0.783 0.522 CB 1.250 24 residues pruned to eliminate duplicates Z: 9 4.982 1.700 0.009 0.606 0.750 0.625 CB 1.238 Z: 10 5.968 1.695 0.276 0.296 0.889 0.444 CB 1.301 Z: 16 33.019 1.942 1.099 0.885 0.933 0.533 CB 1.617 16 residues pruned to eliminate duplicates Z: 12 10.766 1.763 0.249 0.873 0.909 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 6 6.696 1.845 0.321 0.814 1.000 1.000 CB 0.935 Z: 9 6.860 1.897 0.517 0.536 1.000 0.875 CB 0.813 8 residues pruned to eliminate duplicates Z: 11 8.369 1.645 0.635 0.807 0.800 0.800 CB 0.941 11 residues pruned to eliminate duplicates Z: 31 40.449 2.166 0.569 0.915 0.967 0.933 CA 1.589 31 residues pruned to eliminate duplicates Z: 15 23.831 2.025 0.658 0.901 1.000 0.786 CA 1.354 16 residues pruned to eliminate duplicates Z: 10 14.380 1.969 0.557 0.899 0.889 0.889 CB 1.257 11 residues pruned to eliminate duplicates Z: 6 4.307 1.406 0.272 0.629 0.800 0.400 CA 1.193 Z: 14 30.260 2.154 0.938 0.904 0.923 0.846 CB 1.552 14 residues pruned to eliminate duplicates Z: 6 3.273 1.484 0.077 0.519 0.800 0.400 CB 1.124 Z: 10 13.052 2.092 0.266 0.813 0.889 0.556 CA 1.407 10 residues pruned to eliminate duplicates Z: 7 2.351 1.589 0.026 0.590 0.833 0.833 CB 0.648 Z: 7 11.914 1.735 0.469 0.888 1.000 1.000 CB 1.375 7 residues pruned to eliminate duplicates Z: 10 18.902 1.984 0.703 0.908 1.000 0.889 CB 1.325 12 residues pruned to eliminate duplicates 8 1.993 1.494 0.034 0.326 0.571 0.571 CB 1.033 ? Z: 20 17.048 1.847 0.495 0.859 0.947 0.789 CB 1.101 20 residues pruned to eliminate duplicates Z: 8 7.869 1.712 0.454 0.686 0.857 0.571 CB 1.175 8 residues pruned to eliminate duplicates Z: 22 13.272 1.954 0.511 0.412 0.762 0.524 CB 1.411 22 residues pruned to eliminate duplicates Z: 22 26.051 1.944 0.747 0.903 0.952 0.762 CB 1.252 22 residues pruned to eliminate duplicates Z: 31 47.704 2.191 0.826 0.942 0.967 0.767 CB 1.561 31 residues pruned to eliminate duplicates Z: 7 6.192 1.761 1.115 0.602 0.833 0.333 N 0.739 7 residues pruned to eliminate duplicates Z: 19 14.332 1.691 0.299 0.911 1.000 0.778 CB 1.090 19 residues pruned to eliminate duplicates Z: 28 29.534 2.108 0.598 0.679 0.963 0.704 CB 1.486 28 residues pruned to eliminate duplicates Z: 12 31.360 2.213 1.033 0.886 1.000 0.364 CB 1.517 12 residues pruned to eliminate duplicates Z: 12 13.223 1.744 0.436 0.817 1.000 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 24 28.930 1.894 0.771 0.910 0.957 0.565 CB 1.332 24 residues pruned to eliminate duplicates Z: 12 18.300 1.892 0.706 0.853 0.909 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 31 25.366 2.058 0.656 0.611 0.933 0.600 CB 1.312 31 residues pruned to eliminate duplicates Z: 23 19.270 2.084 0.603 0.493 0.818 0.364 CB 1.514 13 residues pruned to eliminate duplicates Z: 13 19.799 2.019 0.640 0.809 0.917 0.583 CA 1.438 13 residues pruned to eliminate duplicates Z: 6 11.422 1.825 0.499 0.690 1.000 0.800 CB 1.570 Z: 14 24.485 1.902 0.671 0.835 1.000 0.538 CB 1.600 14 residues pruned to eliminate duplicates Z: 14 25.282 2.131 0.574 0.897 0.923 0.846 CA 1.620 14 residues pruned to eliminate duplicates Z: 12 5.648 1.778 0.244 0.537 0.727 0.455 CB 1.021 12 residues pruned to eliminate duplicates Z: 11 7.806 1.852 0.327 0.340 0.800 0.600 N 1.495 11 residues pruned to eliminate duplicates Z: 10 9.630 1.790 0.181 0.757 0.889 0.778 CB 1.359 10 residues pruned to eliminate duplicates Z: 26 20.878 1.877 0.647 0.610 0.880 0.520 CB 1.382 26 residues pruned to eliminate duplicates Z: 8 10.748 1.706 0.653 0.772 0.857 0.714 CB 1.320 8 residues pruned to eliminate duplicates Z: 20 27.444 1.982 1.125 0.877 0.789 0.263 CB 1.375 20 residues pruned to eliminate duplicates Z: 9 6.373 1.954 0.499 0.758 0.875 0.500 CB 0.699 9 residues pruned to eliminate duplicates Z: 8 12.932 1.935 0.795 0.837 0.857 0.857 CB 1.228 8 residues pruned to eliminate duplicates Z: 12 6.893 1.592 0.060 0.883 0.909 0.818 CB 0.980 12 residues pruned to eliminate duplicates Z: 10 6.352 1.812 0.182 0.531 0.778 0.778 CB 1.232 10 residues pruned to eliminate duplicates Z: 7 12.543 2.095 0.332 0.788 1.000 0.500 CB 1.425 7 residues pruned to eliminate duplicates Z: 9 13.477 1.870 0.785 0.903 0.875 0.750 CB 1.163 Z: 12 11.926 1.703 0.354 0.879 1.000 0.636 CA 1.131 10 residues pruned to eliminate duplicates Z: 6 9.114 2.012 0.481 0.546 1.000 1.000 CA 1.309 6 residues pruned to eliminate duplicates Z: 16 4.803 1.709 0.172 0.368 0.800 0.467 CB 0.892 14 residues pruned to eliminate duplicates Z: 25 30.559 1.981 0.509 0.899 0.958 0.833 CA 1.556 25 residues pruned to eliminate duplicates Z: 10 14.734 1.884 0.308 0.885 1.000 0.778 CB 1.439 10 residues pruned to eliminate duplicates Z: 49 29.980 2.014 0.536 0.586 0.896 0.688 CB 1.437 49 residues pruned to eliminate duplicates Z: 9 9.761 1.941 0.615 0.720 1.000 1.000 CB 0.902 Z: 16 22.153 2.068 0.650 0.785 0.800 0.467 CB 1.631 16 residues pruned to eliminate duplicates Z: 56 45.535 2.178 0.764 0.652 0.927 0.691 CB 1.496 56 residues pruned to eliminate duplicates Z: 29 21.904 2.018 0.569 0.618 0.929 0.464 CB 1.259 29 residues pruned to eliminate duplicates Z: 16 29.485 2.121 0.725 0.897 0.933 0.800 CA 1.596 16 residues pruned to eliminate duplicates Z: 9 14.562 1.726 0.887 0.903 1.000 0.500 CB 1.127 9 residues pruned to eliminate duplicates Z: 15 22.120 1.877 0.717 0.859 0.857 0.714 CB 1.575 15 residues pruned to eliminate duplicates Z: 19 24.053 2.116 0.314 0.924 1.000 0.944 CA 1.432 19 residues pruned to eliminate duplicates Z: 13 9.543 1.910 0.266 0.587 0.833 0.667 CB 1.257 13 residues pruned to eliminate duplicates Z: 12 10.212 1.762 0.440 0.795 0.818 0.545 CB 1.145 12 residues pruned to eliminate duplicates Z: 30 20.636 1.947 0.601 0.523 0.828 0.655 CB 1.452 30 residues pruned to eliminate duplicates Z: 20 23.979 1.868 0.615 0.821 0.947 0.579 CA 1.458 20 residues pruned to eliminate duplicates Z: 23 27.960 1.909 0.498 0.887 1.000 0.818 CB 1.503 23 residues pruned to eliminate duplicates Z: 16 14.330 2.073 0.396 0.564 0.933 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 10 8.746 1.983 0.357 0.379 1.000 0.889 CB 1.233 10 residues pruned to eliminate duplicates Z: 13 14.886 1.653 0.583 0.891 1.000 0.833 CA 1.181 11 residues pruned to eliminate duplicates Z: 6 12.083 1.797 0.898 0.784 0.800 0.800 N 1.542 6 residues pruned to eliminate duplicates Z: 14 14.825 1.937 0.896 0.824 0.846 0.615 CB 1.000 14 residues pruned to eliminate duplicates Z: 13 17.318 1.939 0.586 0.880 0.917 0.667 CB 1.285 13 residues pruned to eliminate duplicates Z: 22 14.750 1.671 0.121 0.928 0.952 0.905 O 1.264 22 residues pruned to eliminate duplicates Z: 13 9.662 1.925 0.269 0.446 0.833 0.500 CA 1.448 13 residues pruned to eliminate duplicates Z: 13 22.505 1.923 0.746 0.879 0.917 0.833 CA 1.531 13 residues pruned to eliminate duplicates Z: 13 25.264 2.042 0.784 0.890 1.000 0.750 CB 1.440 13 residues pruned to eliminate duplicates Z: 11 19.303 2.059 0.359 0.918 1.000 0.900 CB 1.538 11 residues pruned to eliminate duplicates Z: 16 20.276 1.950 0.415 0.842 1.000 0.533 CB 1.414 16 residues pruned to eliminate duplicates Z: 11 21.752 1.970 0.683 0.868 0.900 0.500 CB 1.685 11 residues pruned to eliminate duplicates Z: 10 8.627 1.643 0.115 0.802 1.000 0.778 CB 1.206 10 residues pruned to eliminate duplicates Z: 27 23.387 2.051 0.679 0.609 0.923 0.500 CB 1.301 27 residues pruned to eliminate duplicates Z: 15 22.391 2.038 0.914 0.756 0.929 0.643 CB 1.316 15 residues pruned to eliminate duplicates Z: 44 37.768 2.137 0.733 0.689 0.860 0.698 CB 1.521 44 residues pruned to eliminate duplicates Z: 12 14.195 1.929 0.403 0.873 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 51 38.487 2.160 0.881 0.443 0.920 0.440 CB 1.543 51 residues pruned to eliminate duplicates Z: 29 28.478 2.201 0.637 0.531 0.929 0.679 CB 1.559 29 residues pruned to eliminate duplicates Z: 30 27.090 2.068 0.550 0.662 0.931 0.655 CB 1.451 30 residues pruned to eliminate duplicates Z: 20 24.117 1.960 0.565 0.872 1.000 0.684 CB 1.315 20 residues pruned to eliminate duplicates Z: 10 19.661 1.875 0.803 0.909 1.000 0.556 CB 1.376 16 residues pruned to eliminate duplicates Z: 7 2.782 1.570 0.449 0.252 0.833 0.333 CB 0.797 7 residues pruned to eliminate duplicates Z: 11 17.459 1.900 0.729 0.868 0.900 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 13 26.386 1.940 0.760 0.906 1.000 0.667 CB 1.587 13 residues pruned to eliminate duplicates Z: 17 20.497 1.954 0.509 0.886 0.938 0.750 CB 1.338 17 residues pruned to eliminate duplicates Z: 11 25.200 2.080 0.852 0.900 1.000 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 17 15.973 1.681 0.445 0.843 0.938 0.750 CA 1.306 17 residues pruned to eliminate duplicates Z: 31 39.513 2.111 0.755 0.908 0.900 0.733 CB 1.536 31 residues pruned to eliminate duplicates Z: 13 25.596 1.996 0.749 0.899 1.000 0.833 CB 1.513 13 residues pruned to eliminate duplicates 6 1.258 1.556 -0.123 0.110 0.600 0.200 CB 1.126 ? Z: 29 30.804 1.954 0.612 0.872 0.929 0.750 CB 1.451 29 residues pruned to eliminate duplicates Z: 29 31.801 1.984 0.814 0.885 0.964 0.714 CB 1.251 29 residues pruned to eliminate duplicates Z: 9 10.751 1.978 0.039 0.834 1.000 0.750 CB 1.387 12 residues pruned to eliminate duplicates Z: 15 10.831 1.916 0.665 0.474 0.714 0.500 CB 1.305 15 residues pruned to eliminate duplicates Z: 13 11.467 1.752 0.186 0.893 0.917 0.917 CB 1.248 13 residues pruned to eliminate duplicates Z: 32 24.347 1.985 0.619 0.593 0.871 0.613 CB 1.429 32 residues pruned to eliminate duplicates Z: 16 18.977 1.923 0.465 0.889 0.933 0.933 CB 1.341 16 residues pruned to eliminate duplicates Z: 28 28.177 1.932 0.809 0.878 0.926 0.556 CB 1.216 28 residues pruned to eliminate duplicates Z: 19 19.588 2.177 0.588 0.444 0.944 0.611 CB 1.498 19 residues pruned to eliminate duplicates Z: 28 24.332 2.073 0.457 0.628 0.926 0.630 CB 1.484 28 residues pruned to eliminate duplicates Z: 11 11.194 1.631 0.584 0.818 1.000 0.800 CB 1.040 11 residues pruned to eliminate duplicates Z: 29 26.765 1.961 1.018 0.856 0.821 0.536 CB 1.148 29 residues pruned to eliminate duplicates Z: 14 18.692 1.826 0.762 0.865 1.000 0.538 CB 1.180 14 residues pruned to eliminate duplicates Z: 18 13.490 1.710 0.182 0.901 1.000 0.765 CB 1.156 18 residues pruned to eliminate duplicates Z: 9 6.648 1.665 0.306 0.541 1.000 0.750 CB 1.039 4 residues pruned to eliminate duplicates Z: 14 25.504 1.923 0.824 0.870 1.000 0.692 CA 1.472 14 residues pruned to eliminate duplicates Z: 16 20.736 1.916 0.294 0.843 1.000 0.733 CB 1.609 16 residues pruned to eliminate duplicates Z: 22 24.954 2.020 0.459 0.731 0.952 0.667 CA 1.577 20 residues pruned to eliminate duplicates Z: 9 6.136 1.645 0.562 0.375 0.750 0.500 CB 1.286 9 residues pruned to eliminate duplicates Z: 7 3.683 1.803 -0.048 0.339 0.833 0.500 CB 1.253 Z: 24 29.470 1.946 0.634 0.901 1.000 0.522 CB 1.379 24 residues pruned to eliminate duplicates Z: 70 50.830 2.264 0.765 0.542 0.913 0.652 CA 1.611 70 residues pruned to eliminate duplicates Z: 21 20.860 1.953 0.593 0.689 0.950 0.600 CB 1.327 21 residues pruned to eliminate duplicates Z: 9 11.322 1.914 0.393 0.902 1.000 0.875 CB 1.070 9 residues pruned to eliminate duplicates Z: 47 45.696 2.205 0.762 0.642 0.935 0.674 CB 1.625 47 residues pruned to eliminate duplicates Z: 25 34.083 2.049 0.956 0.909 0.917 0.667 CB 1.343 25 residues pruned to eliminate duplicates Z: 10 10.269 1.851 0.305 0.862 0.889 0.778 CB 1.171 10 residues pruned to eliminate duplicates 6 1.893 1.598 0.225 0.400 0.800 0.600 O 0.601 ? Z: 14 13.505 1.757 0.278 0.734 0.923 0.769 CA 1.464 14 residues pruned to eliminate duplicates Z: 30 25.982 2.027 0.503 0.624 0.931 0.552 CB 1.514 30 residues pruned to eliminate duplicates Z: 16 11.747 1.699 -0.063 0.928 1.000 0.933 CB 1.335 15 residues pruned to eliminate duplicates Z: 8 3.364 1.320 0.563 0.428 0.714 0.571 CB 0.930 Z: 12 9.955 1.875 0.473 0.473 0.909 0.636 CB 1.228 12 residues pruned to eliminate duplicates Z: 10 13.798 1.781 0.379 0.901 1.000 0.889 CA 1.337 10 residues pruned to eliminate duplicates Z: 13 8.230 1.664 0.561 0.375 0.750 0.583 CA 1.395 11 residues pruned to eliminate duplicates Z: 16 21.007 2.173 0.598 0.596 0.933 0.600 CB 1.526 16 residues pruned to eliminate duplicates Z: 9 13.574 1.829 0.863 0.872 0.875 0.750 CB 1.174 9 residues pruned to eliminate duplicates Z: 8 2.305 1.252 0.225 0.326 0.714 0.714 CB 0.963 Z: 19 16.017 1.951 0.646 0.562 0.889 0.611 CB 1.245 19 residues pruned to eliminate duplicates Z: 9 18.204 2.326 0.466 0.839 0.875 0.500 CA 1.611 9 residues pruned to eliminate duplicates Z: 9 12.421 1.903 0.380 0.832 0.875 0.625 CA 1.434 9 residues pruned to eliminate duplicates Z: 13 16.247 1.704 0.379 0.906 1.000 0.917 CB 1.419 13 residues pruned to eliminate duplicates Z: 8 8.664 1.781 0.345 0.655 0.857 0.857 CB 1.380 8 residues pruned to eliminate duplicates Z: 14 11.677 1.753 0.266 0.874 0.923 0.692 CB 1.150 14 residues pruned to eliminate duplicates Z: 26 23.545 2.025 0.559 0.595 0.920 0.520 CB 1.481 27 residues pruned to eliminate duplicates Z: 15 31.205 2.207 0.738 0.898 0.929 0.857 CA 1.675 15 residues pruned to eliminate duplicates Z: 34 21.916 2.038 0.636 0.561 0.879 0.606 CB 1.227 34 residues pruned to eliminate duplicates Z: 33 15.220 1.933 0.542 0.425 0.812 0.469 CB 1.200 33 residues pruned to eliminate duplicates Z: 13 8.438 1.899 0.192 0.695 0.833 0.667 CB 1.081 9 residues pruned to eliminate duplicates Z: 6 2.195 1.730 0.128 0.587 0.800 0.800 CB 0.579 Z: 42 49.820 2.279 0.909 0.736 0.902 0.732 CA 1.604 42 residues pruned to eliminate duplicates Z: 10 16.486 2.347 0.368 0.875 0.778 0.556 CB 1.600 10 residues pruned to eliminate duplicates Z: 74 44.689 2.167 0.721 0.512 0.890 0.589 CB 1.555 74 residues pruned to eliminate duplicates Z: 14 23.751 2.031 0.647 0.877 1.000 0.769 CB 1.430 14 residues pruned to eliminate duplicates Z: 8 8.869 1.835 0.371 0.725 1.000 0.429 CA 1.088 8 residues pruned to eliminate duplicates Z: 9 11.637 2.029 0.216 0.826 0.875 0.500 CA 1.437 9 residues pruned to eliminate duplicates Z: 13 17.021 1.850 0.627 0.847 1.000 0.833 CB 1.212 13 residues pruned to eliminate duplicates Z: 16 17.229 2.136 0.624 0.666 0.800 0.667 CB 1.375 16 residues pruned to eliminate duplicates Z: 55 46.895 2.275 0.887 0.494 0.963 0.519 CB 1.554 55 residues pruned to eliminate duplicates Z: 13 11.833 1.692 0.065 0.923 0.917 0.750 CB 1.453 13 residues pruned to eliminate duplicates Z: 39 32.286 2.076 0.667 0.676 0.868 0.605 CB 1.482 39 residues pruned to eliminate duplicates Z: 10 11.028 1.766 0.524 0.841 0.889 0.556 CB 1.145 10 residues pruned to eliminate duplicates Z: 14 17.691 1.828 0.604 0.880 1.000 0.615 CA 1.213 14 residues pruned to eliminate duplicates Z: 24 21.291 1.856 0.392 0.896 0.957 0.739 CB 1.287 24 residues pruned to eliminate duplicates Z: 8 16.705 2.096 0.660 0.817 1.000 0.857 CA 1.378 8 residues pruned to eliminate duplicates Z: 28 40.567 2.028 0.797 0.934 0.963 0.333 CB 1.551 28 residues pruned to eliminate duplicates Z: 48 41.493 2.085 0.485 0.834 0.979 0.766 CA 1.497 48 residues pruned to eliminate duplicates Z: 22 15.770 1.998 0.625 0.430 0.762 0.476 CB 1.496 22 residues pruned to eliminate duplicates Z: 100 50.007 2.135 0.647 0.551 0.899 0.616 CB 1.514 100 residues pruned to eliminate duplicates Z: 22 10.391 1.852 0.379 0.292 0.857 0.619 CB 1.308 22 residues pruned to eliminate duplicates Z: 30 41.832 2.027 0.759 0.926 0.966 0.517 CB 1.583 30 residues pruned to eliminate duplicates Z: 7 2.857 1.518 0.366 0.557 0.833 0.667 CB 0.639 Z: 13 22.427 1.969 0.658 0.873 1.000 0.583 CB 1.444 13 residues pruned to eliminate duplicates Z: 29 33.654 1.987 0.908 0.914 0.893 0.429 CB 1.328 29 residues pruned to eliminate duplicates Z: 80 48.599 2.230 0.687 0.543 0.899 0.582 CB 1.550 80 residues pruned to eliminate duplicates Z: 14 22.823 1.925 0.516 0.886 0.923 0.692 CA 1.696 14 residues pruned to eliminate duplicates Z: 21 31.493 2.068 0.697 0.837 0.950 0.750 CA 1.580 21 residues pruned to eliminate duplicates Z: 43 29.543 2.107 0.611 0.509 0.929 0.762 CB 1.434 59 residues pruned to eliminate duplicates Z: 12 20.061 1.962 0.413 0.879 1.000 0.727 CB 1.582 12 residues pruned to eliminate duplicates Z: 37 28.636 2.012 0.341 0.725 0.972 0.806 CB 1.486 37 residues pruned to eliminate duplicates Z: 15 14.074 1.729 0.210 0.895 1.000 0.714 CB 1.289 15 residues pruned to eliminate duplicates Z: 9 8.739 1.692 0.579 0.658 1.000 0.750 CB 0.999 Z: 12 31.818 2.255 0.835 0.907 1.000 0.727 CB 1.647 12 residues pruned to eliminate duplicates Z: 9 8.440 1.665 0.279 0.861 0.875 0.250 CB 1.176 9 residues pruned to eliminate duplicates 6 1.916 1.385 0.427 0.330 0.800 0.400 CB 0.653 ? Z: 63 34.022 2.020 0.541 0.578 0.903 0.726 CB 1.425 63 residues pruned to eliminate duplicates Z: 14 24.974 1.870 0.687 0.894 1.000 0.846 CA 1.575 14 residues pruned to eliminate duplicates Z: 15 14.643 1.724 0.655 0.875 0.929 0.571 CB 1.075 15 residues pruned to eliminate duplicates Z: 16 31.299 2.028 0.751 0.928 0.933 0.667 O 1.707 16 residues pruned to eliminate duplicates Z: 7 5.935 1.564 0.658 0.655 0.667 0.500 CA 1.213 7 residues pruned to eliminate duplicates Z: 17 13.516 1.638 0.177 0.850 0.938 0.562 CB 1.385 17 residues pruned to eliminate duplicates Z: 13 5.974 1.606 0.901 0.316 0.833 0.500 CB 0.830 Z: 23 18.308 2.052 0.608 0.621 0.864 0.636 CB 1.222 23 residues pruned to eliminate duplicates Z: 9 18.418 1.960 0.466 0.864 1.000 0.750 CB 1.662 9 residues pruned to eliminate duplicates Z: 29 26.617 1.892 0.591 0.899 0.929 0.750 CB 1.286 29 residues pruned to eliminate duplicates Z: 9 3.482 1.741 0.074 0.258 0.875 0.375 CB 0.993 Z: 13 21.553 1.971 0.494 0.867 1.000 0.917 CA 1.546 13 residues pruned to eliminate duplicates Z: 7 2.472 1.482 0.311 0.282 0.667 0.333 N 0.996 Z: 12 31.130 2.202 0.773 0.905 1.000 0.455 CB 1.711 12 residues pruned to eliminate duplicates Z: 6 7.676 1.874 0.986 0.747 1.000 0.400 CB 0.740 6 residues pruned to eliminate duplicates Z: 11 4.301 1.549 0.103 0.258 0.800 0.400 O 1.313 Z: 16 15.000 1.690 0.396 0.876 0.933 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 17 19.283 1.862 0.439 0.899 1.000 0.875 CB 1.286 17 residues pruned to eliminate duplicates Z: 16 20.723 1.960 0.530 0.823 0.933 0.667 CB 1.445 16 residues pruned to eliminate duplicates Z: 29 25.686 2.037 0.573 0.601 0.929 0.750 CB 1.482 29 residues pruned to eliminate duplicates Z: 7 3.163 1.637 0.143 0.221 0.667 0.167 CA 1.436 Z: 7 9.801 1.863 0.380 0.755 1.000 0.833 CA 1.240 7 residues pruned to eliminate duplicates Z: 8 6.479 1.665 0.459 0.846 0.714 0.286 CB 1.048 8 residues pruned to eliminate duplicates Z: 12 20.547 1.884 0.656 0.834 1.000 0.545 CB 1.488 12 residues pruned to eliminate duplicates Z: 23 30.083 2.048 0.528 0.875 1.000 0.818 CB 1.491 23 residues pruned to eliminate duplicates Z: 19 27.237 2.075 0.589 0.905 0.889 0.556 CB 1.559 19 residues pruned to eliminate duplicates Z: 6 3.754 1.702 0.486 0.561 0.600 0.600 CB 1.042 Z: 10 9.304 1.588 0.635 0.829 1.000 0.889 CA 0.899 8 residues pruned to eliminate duplicates Z: 8 19.981 2.174 0.671 0.857 1.000 0.571 CB 1.532 8 residues pruned to eliminate duplicates Z: 8 22.112 2.290 0.692 0.835 1.000 0.571 CB 1.615 8 residues pruned to eliminate duplicates Z: 25 25.479 1.904 0.658 0.849 0.917 0.458 CB 1.332 25 residues pruned to eliminate duplicates Z: 14 16.198 1.712 0.472 0.809 0.923 0.615 N 1.475 14 residues pruned to eliminate duplicates Z: 11 14.345 1.925 0.102 0.922 1.000 1.000 CA 1.504 11 residues pruned to eliminate duplicates Z: 8 13.935 1.884 0.865 0.830 1.000 0.857 CB 1.127 8 residues pruned to eliminate duplicates Z: 7 6.009 1.674 0.576 0.515 0.833 0.667 CB 1.099 Z: 9 6.995 1.759 0.700 0.445 0.625 0.125 O 1.400 7 residues pruned to eliminate duplicates Z: 37 23.331 2.074 0.524 0.467 0.917 0.611 CB 1.389 36 residues pruned to eliminate duplicates Z: 7 4.767 1.475 0.683 0.545 0.833 0.500 CB 0.900 7 residues pruned to eliminate duplicates Z: 6 3.922 1.566 -0.191 0.719 1.000 0.800 CB 1.135 Z: 19 16.139 1.715 0.520 0.934 1.000 0.889 CB 1.018 19 residues pruned to eliminate duplicates Z: 6 4.513 1.396 0.520 0.816 1.000 0.800 CA 0.723 6 residues pruned to eliminate duplicates Z: 7 12.463 2.066 0.563 0.702 1.000 0.833 CB 1.310 7 residues pruned to eliminate duplicates Z: 14 18.097 1.677 0.645 0.868 1.000 0.692 CB 1.330 15 residues pruned to eliminate duplicates Z: 16 11.873 1.693 0.107 0.871 0.933 0.800 CB 1.279 16 residues pruned to eliminate duplicates Z: 16 5.862 1.652 0.182 0.454 0.933 0.533 CB 0.871 16 residues pruned to eliminate duplicates Z: 9 14.481 1.766 0.842 0.786 1.000 0.750 CA 1.223 9 residues pruned to eliminate duplicates Z: 6 4.477 1.562 0.207 0.743 0.800 0.600 CB 1.067 Z: 14 15.681 1.798 0.304 0.874 1.000 0.692 CB 1.351 14 residues pruned to eliminate duplicates Z: 7 11.418 1.865 1.247 0.802 1.000 0.833 CA 0.855 7 residues pruned to eliminate duplicates Z: 8 15.788 1.972 0.428 0.840 1.000 0.429 CB 1.582 10 residues pruned to eliminate duplicates Z: 10 12.338 2.008 0.693 0.353 0.889 0.778 N 1.596 10 residues pruned to eliminate duplicates Z: 24 22.404 2.075 0.460 0.655 0.870 0.565 CB 1.536 24 residues pruned to eliminate duplicates Z: 31 43.798 2.112 0.947 0.932 1.000 0.233 CB 1.358 31 residues pruned to eliminate duplicates Z: 27 19.125 2.173 0.453 0.403 0.885 0.423 CB 1.488 27 residues pruned to eliminate duplicates Z: 9 6.091 1.678 0.486 0.577 0.750 0.375 CB 1.069 9 residues pruned to eliminate duplicates Z: 18 20.830 2.002 0.690 0.596 0.824 0.647 CB 1.654 18 residues pruned to eliminate duplicates Z: 18 6.939 1.544 0.596 0.431 0.588 0.235 CB 1.247 18 residues pruned to eliminate duplicates Z: 29 40.153 2.017 0.667 0.919 1.000 0.643 CB 1.590 29 residues pruned to eliminate duplicates Z: 10 13.163 1.656 0.820 0.783 1.000 0.444 CB 1.134 10 residues pruned to eliminate duplicates Z: 6 7.298 1.669 0.991 0.806 0.800 0.600 CB 0.940 7 residues pruned to eliminate duplicates Z: 29 23.163 2.070 0.622 0.473 0.893 0.500 CB 1.501 29 residues pruned to eliminate duplicates Z: 28 37.530 2.011 0.849 0.823 0.963 0.296 CB 1.525 30 residues pruned to eliminate duplicates Z: 11 4.272 1.585 0.568 0.139 0.800 0.300 CB 1.063 Z: 17 12.251 1.726 0.215 0.914 0.938 0.750 CB 1.101 17 residues pruned to eliminate duplicates Z: 20 20.268 2.041 0.675 0.625 0.842 0.316 CB 1.436 21 residues pruned to eliminate duplicates Z: 10 5.770 1.475 0.504 0.497 0.889 0.444 CB 0.979 10 residues pruned to eliminate duplicates Z: 11 18.001 2.015 0.421 0.847 1.000 0.600 CB 1.475 10 residues pruned to eliminate duplicates Z: 23 33.259 2.163 0.922 0.923 0.818 0.273 CB 1.465 23 residues pruned to eliminate duplicates Z: 11 12.603 1.635 0.912 0.821 0.900 0.700 CB 1.073 11 residues pruned to eliminate duplicates Z: 11 9.686 1.771 -0.030 0.881 1.000 0.800 CB 1.292 11 residues pruned to eliminate duplicates Z: 9 16.552 1.827 0.708 0.795 1.000 0.875 CA 1.448 9 residues pruned to eliminate duplicates Z: 17 12.390 1.649 0.154 0.874 0.938 0.625 CB 1.263 17 residues pruned to eliminate duplicates Z: 17 23.573 1.822 0.908 0.923 0.875 0.375 CB 1.361 17 residues pruned to eliminate duplicates Z: 9 9.356 1.999 0.402 0.579 0.750 0.500 CA 1.458 9 residues pruned to eliminate duplicates Z: 13 26.275 2.132 0.539 0.899 1.000 0.917 CA 1.651 13 residues pruned to eliminate duplicates Z: 15 26.025 2.196 0.562 0.885 0.929 0.857 CA 1.577 15 residues pruned to eliminate duplicates Z: 9 4.394 1.936 0.109 0.229 0.875 0.375 CB 1.133 9 residues pruned to eliminate duplicates Z: 43 35.067 2.238 0.625 0.476 0.952 0.524 CB 1.601 43 residues pruned to eliminate duplicates Z: 7 3.327 1.529 -0.079 0.845 1.000 0.833 CB 0.717 Z: 6 2.956 1.520 0.276 0.460 0.600 0.400 CB 1.183 Z: 7 5.340 1.514 0.624 0.718 0.833 0.500 CB 0.873 7 residues pruned to eliminate duplicates Z: 15 14.221 1.675 0.543 0.886 0.929 0.643 CB 1.142 15 residues pruned to eliminate duplicates Z: 10 11.985 1.997 0.281 0.501 1.000 0.667 CB 1.559 10 residues pruned to eliminate duplicates Z: 16 11.033 2.017 0.598 0.434 0.800 0.667 CB 1.182 16 residues pruned to eliminate duplicates Z: 29 26.684 2.065 0.566 0.606 0.964 0.714 CB 1.463 30 residues pruned to eliminate duplicates Z: 12 11.220 1.653 0.457 0.871 0.909 0.636 CB 1.128 12 residues pruned to eliminate duplicates Z: 12 9.554 1.901 0.614 0.518 0.909 0.545 CB 1.015 12 residues pruned to eliminate duplicates Z: 16 18.695 2.062 0.290 0.851 0.867 0.800 CA 1.550 16 residues pruned to eliminate duplicates Z: 6 3.948 1.623 0.741 0.511 0.800 0.400 CB 0.773 Z: 43 22.961 2.124 0.619 0.412 0.881 0.500 CB 1.282 45 residues pruned to eliminate duplicates Z: 9 11.202 1.901 0.597 0.747 0.875 0.750 CB 1.196 9 residues pruned to eliminate duplicates Z: 17 29.579 1.938 0.681 0.926 1.000 0.875 CB 1.592 17 residues pruned to eliminate duplicates Z: 9 11.742 2.003 0.078 0.902 1.000 1.000 CB 1.372 9 residues pruned to eliminate duplicates Z: 11 4.498 1.592 0.359 0.212 0.700 0.300 C 1.320 5 residues pruned to eliminate duplicates Z: 9 12.052 1.648 0.494 0.912 1.000 1.000 CA 1.226 9 residues pruned to eliminate duplicates Z: 8 4.013 1.540 0.661 0.462 0.571 0.286 CB 1.079 Z: 14 13.213 1.706 0.652 0.784 0.769 0.538 CB 1.316 14 residues pruned to eliminate duplicates Z: 59 44.567 2.219 0.840 0.495 0.897 0.638 CA 1.607 59 residues pruned to eliminate duplicates Z: 9 4.415 1.415 0.219 0.444 0.875 0.625 CB 1.096 10 residues pruned to eliminate duplicates Z: 9 12.544 1.862 0.622 0.663 1.000 0.750 CB 1.262 9 residues pruned to eliminate duplicates Z: 13 14.076 1.748 0.591 0.824 1.000 0.750 CB 1.104 13 residues pruned to eliminate duplicates Z: 38 49.293 2.247 1.281 0.666 0.892 0.595 CB 1.520 38 residues pruned to eliminate duplicates Z: 26 22.478 1.843 0.801 0.751 0.760 0.360 CB 1.424 26 residues pruned to eliminate duplicates Z: 22 28.259 1.949 0.786 0.907 0.952 0.762 CB 1.322 22 residues pruned to eliminate duplicates 7 0.991 1.702 -0.465 0.655 0.833 0.333 CB 0.462 ? Z: 16 11.533 1.702 0.218 0.833 0.867 0.800 CB 1.244 16 residues pruned to eliminate duplicates Z: 12 19.977 1.714 0.924 0.890 1.000 0.273 CB 1.315 13 residues pruned to eliminate duplicates Z: 30 22.358 1.988 0.552 0.568 0.897 0.448 CB 1.406 30 residues pruned to eliminate duplicates Z: 11 13.370 1.811 0.508 0.864 0.900 0.800 CB 1.261 15 residues pruned to eliminate duplicates Z: 46 23.870 2.099 0.459 0.435 0.911 0.533 CB 1.365 46 residues pruned to eliminate duplicates Z: 17 12.505 1.698 0.529 0.518 0.875 0.500 CB 1.353 12 residues pruned to eliminate duplicates Z: 19 22.739 1.985 0.395 0.856 1.000 0.833 CA 1.426 18 residues pruned to eliminate duplicates Z: 11 12.400 1.957 0.310 0.892 1.000 0.500 CB 1.099 11 residues pruned to eliminate duplicates Z: 30 20.419 2.116 0.651 0.308 0.897 0.414 CA 1.497 30 residues pruned to eliminate duplicates Z: 27 32.866 2.086 0.573 0.728 0.923 0.692 CA 1.734 27 residues pruned to eliminate duplicates Z: 12 21.387 2.013 0.490 0.865 1.000 0.818 CA 1.576 12 residues pruned to eliminate duplicates Z: 12 15.818 1.942 0.749 0.594 1.000 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 8 8.098 1.719 0.162 0.852 0.857 0.714 CB 1.323 Z: 7 6.721 1.703 0.399 0.741 1.000 0.667 CB 0.928 7 residues pruned to eliminate duplicates Z: 8 18.126 2.186 0.766 0.814 0.857 0.857 N 1.575 8 residues pruned to eliminate duplicates Z: 9 6.855 1.820 0.484 0.492 0.875 0.750 CB 1.034 Z: 14 15.352 1.693 0.584 0.865 1.000 0.692 CB 1.164 14 residues pruned to eliminate duplicates Z: 7 3.261 1.408 0.571 0.410 0.667 0.500 CB 0.992 Z: 9 8.839 1.907 0.849 0.576 0.750 0.750 CA 1.098 9 residues pruned to eliminate duplicates Z: 9 21.016 1.950 0.844 0.851 1.000 0.750 CA 1.529 9 residues pruned to eliminate duplicates Z: 17 28.468 2.036 0.826 0.675 0.938 0.562 CB 1.739 17 residues pruned to eliminate duplicates Z: 15 18.775 2.037 0.294 0.672 1.000 0.571 CB 1.624 15 residues pruned to eliminate duplicates Z: 6 6.222 1.567 0.190 0.768 1.000 0.800 CB 1.176 5 residues pruned to eliminate duplicates Z: 15 14.586 1.826 0.343 0.910 1.000 0.929 CB 1.127 15 residues pruned to eliminate duplicates Z: 10 18.510 1.929 0.625 0.906 1.000 0.889 CA 1.400 10 residues pruned to eliminate duplicates Z: 13 20.536 1.951 0.769 0.885 1.000 0.333 CB 1.240 13 residues pruned to eliminate duplicates Z: 30 25.194 2.045 0.539 0.585 0.966 0.586 CB 1.419 30 residues pruned to eliminate duplicates Z: 10 6.883 1.631 0.227 0.775 0.889 0.667 CB 1.012 10 residues pruned to eliminate duplicates Z: 9 9.260 1.800 0.451 0.835 0.875 0.750 CB 1.073 9 residues pruned to eliminate duplicates Z: 7 9.487 1.552 0.452 0.864 1.000 0.833 CB 1.260 Z: 6 4.493 1.840 0.117 0.679 1.000 0.800 CB 0.829 6 residues pruned to eliminate duplicates Z: 6 2.746 1.643 0.159 0.294 0.800 0.200 CB 1.016 Z: 8 11.832 1.777 0.463 0.891 1.000 1.000 CB 1.237 8 residues pruned to eliminate duplicates Z: 13 23.790 1.913 0.604 0.907 1.000 0.750 N 1.591 13 residues pruned to eliminate duplicates Z: 15 8.626 1.800 0.393 0.366 0.857 0.357 CB 1.239 15 residues pruned to eliminate duplicates Z: 7 2.307 1.455 0.285 0.221 0.667 0.500 CA 1.048 Z: 13 10.530 1.801 0.157 0.791 0.833 0.667 CA 1.356 13 residues pruned to eliminate duplicates Z: 11 11.235 1.910 0.346 0.887 0.900 0.500 CB 1.107 11 residues pruned to eliminate duplicates Z: 43 47.636 2.196 0.904 0.690 0.929 0.738 CB 1.591 43 residues pruned to eliminate duplicates Z: 10 2.468 1.604 0.005 0.214 0.667 0.556 CB 1.072 Z: 12 21.225 1.948 0.832 0.871 1.000 0.636 CB 1.308 12 residues pruned to eliminate duplicates Z: 6 5.858 1.858 0.154 0.799 0.800 0.800 CA 1.177 6 residues pruned to eliminate duplicates Z: 6 10.778 2.000 0.884 0.801 1.000 0.800 CB 0.983 6 residues pruned to eliminate duplicates Z: 17 19.422 2.012 0.194 0.837 1.000 0.812 CA 1.512 17 residues pruned to eliminate duplicates Z: 18 17.541 1.855 0.527 0.802 0.941 0.765 CB 1.225 18 residues pruned to eliminate duplicates Z: 26 19.331 2.011 0.635 0.569 0.800 0.560 CB 1.375 26 residues pruned to eliminate duplicates Z: 7 5.600 1.525 0.602 0.383 1.000 0.333 CB 1.060 7 residues pruned to eliminate duplicates Z: 12 7.250 1.817 0.124 0.357 0.909 0.455 CB 1.372 7 residues pruned to eliminate duplicates Z: 29 25.508 2.079 0.558 0.571 0.964 0.536 CB 1.441 29 residues pruned to eliminate duplicates Z: 28 19.400 2.110 0.634 0.435 0.852 0.556 CB 1.360 28 residues pruned to eliminate duplicates Z: 6 2.675 1.401 0.357 0.297 0.800 0.600 N 0.987 Z: 30 31.074 1.943 0.690 0.910 0.897 0.379 CB 1.390 30 residues pruned to eliminate duplicates Z: 47 26.504 2.116 0.394 0.450 0.935 0.609 CB 1.492 47 residues pruned to eliminate duplicates Z: 7 5.865 1.535 0.530 0.524 0.833 0.333 N 1.194 Z: 24 27.942 1.958 0.644 0.758 0.870 0.522 CB 1.655 24 residues pruned to eliminate duplicates Z: 17 16.421 1.990 0.569 0.569 0.938 0.625 CB 1.312 17 residues pruned to eliminate duplicates Z: 17 31.076 2.041 0.998 0.808 0.938 0.750 CB 1.554 17 residues pruned to eliminate duplicates Z: 12 4.416 1.767 0.302 0.267 0.818 0.545 CB 0.923 10 residues pruned to eliminate duplicates Z: 12 11.685 1.727 0.446 0.860 1.000 0.636 CB 1.038 12 residues pruned to eliminate duplicates Z: 24 27.636 1.886 0.732 0.908 0.957 0.478 CB 1.310 24 residues pruned to eliminate duplicates Z: 6 2.499 1.384 0.317 0.615 1.000 0.600 N 0.550 Z: 17 15.358 1.728 0.550 0.913 0.875 0.625 CB 1.159 17 residues pruned to eliminate duplicates Z: 27 15.068 1.984 0.594 0.524 0.808 0.269 CB 1.130 27 residues pruned to eliminate duplicates Z: 13 18.459 1.880 0.317 0.880 1.000 0.833 CA 1.560 13 residues pruned to eliminate duplicates Z: 9 5.581 1.879 0.189 0.210 0.875 0.250 CA 1.422 9 residues pruned to eliminate duplicates Z: 8 4.584 1.596 0.318 0.527 0.714 0.286 CB 1.122 6 residues pruned to eliminate duplicates Z: 24 11.375 1.739 0.216 0.544 0.913 0.522 CB 1.177 24 residues pruned to eliminate duplicates 6 1.354 1.417 0.138 0.151 0.600 0.600 N 0.962 ? Z: 12 23.438 1.900 0.850 0.920 1.000 1.000 CB 1.416 12 residues pruned to eliminate duplicates Z: 13 13.953 1.792 0.346 0.903 1.000 0.667 CB 1.190 13 residues pruned to eliminate duplicates Z: 6 4.076 1.734 0.083 0.477 1.000 0.400 CB 0.994 Z: 29 25.116 2.038 0.662 0.576 0.893 0.393 CB 1.458 29 residues pruned to eliminate duplicates Z: 15 10.950 1.947 0.431 0.640 0.714 0.643 CB 1.291 15 residues pruned to eliminate duplicates Z: 18 34.671 1.885 1.149 0.949 0.941 0.471 CB 1.522 18 residues pruned to eliminate duplicates Z: 10 14.178 1.760 0.673 0.894 0.889 0.778 CA 1.294 10 residues pruned to eliminate duplicates Z: 12 5.370 1.740 0.357 0.156 0.727 0.545 N 1.438 12 residues pruned to eliminate duplicates Z: 24 52.053 2.207 1.245 0.902 1.000 0.652 CB 1.562 24 residues pruned to eliminate duplicates Z: 11 2.451 1.321 0.184 0.381 0.700 0.300 CB 0.804 Z: 21 19.352 1.972 0.420 0.637 0.950 0.650 CB 1.430 21 residues pruned to eliminate duplicates Z: 11 6.463 1.549 0.487 0.751 0.900 0.700 CB 0.788 11 residues pruned to eliminate duplicates Z: 12 6.150 1.824 0.424 0.408 0.909 0.545 CB 0.865 10 residues pruned to eliminate duplicates 6 1.853 1.743 -0.212 0.686 0.800 0.800 CB 0.636 ? Z: 31 26.981 1.984 0.658 0.623 0.900 0.567 CB 1.483 30 residues pruned to eliminate duplicates Z: 7 3.287 1.452 0.641 0.492 0.833 0.500 N 0.681 Z: 14 7.070 1.679 0.489 0.377 0.923 0.385 CB 0.969 14 residues pruned to eliminate duplicates Z: 12 3.010 1.505 0.117 0.265 0.727 0.273 CB 0.971 Z: 6 3.594 1.326 0.591 0.470 0.800 0.600 CB 0.982 Z: 53 41.956 2.079 0.677 0.726 0.865 0.577 CB 1.572 53 residues pruned to eliminate duplicates Z: 6 2.623 1.295 0.596 0.251 0.800 0.600 C 0.945 Z: 18 11.706 1.998 0.380 0.403 0.882 0.471 CB 1.291 18 residues pruned to eliminate duplicates Z: 8 15.241 1.946 0.707 0.837 1.000 0.714 CB 1.297 8 residues pruned to eliminate duplicates Z: 9 6.734 1.595 0.335 0.773 1.000 0.750 CB 0.878 7 residues pruned to eliminate duplicates Z: 17 11.892 2.027 0.475 0.326 0.812 0.438 CB 1.482 17 residues pruned to eliminate duplicates Z: 14 8.180 1.721 0.132 0.752 0.846 0.692 CB 1.099 20 residues pruned to eliminate duplicates Z: 14 10.869 1.682 0.688 0.369 0.923 0.385 N 1.325 14 residues pruned to eliminate duplicates Z: 31 18.312 1.994 0.520 0.424 0.833 0.500 CB 1.432 31 residues pruned to eliminate duplicates Z: 11 12.217 1.897 0.477 0.646 1.000 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 84 45.643 2.114 0.575 0.614 0.916 0.699 CB 1.475 84 residues pruned to eliminate duplicates Z: 39 31.144 2.245 0.586 0.418 0.947 0.553 CA 1.631 39 residues pruned to eliminate duplicates Z: 16 33.369 2.138 0.539 0.921 1.000 0.867 CA 1.843 16 residues pruned to eliminate duplicates Z: 19 14.051 2.166 0.532 0.351 0.778 0.500 CB 1.508 19 residues pruned to eliminate duplicates Z: 15 18.794 2.169 0.559 0.584 1.000 0.714 CB 1.371 15 residues pruned to eliminate duplicates Z: 12 9.536 1.710 0.679 0.759 0.727 0.455 CB 1.093 12 residues pruned to eliminate duplicates Z: 16 12.090 1.685 0.574 0.873 0.933 0.600 CB 0.918 16 residues pruned to eliminate duplicates Z: 13 17.167 1.772 0.558 0.933 1.000 0.500 CB 1.253 13 residues pruned to eliminate duplicates Z: 17 11.965 1.696 0.205 0.902 0.875 0.688 CB 1.193 17 residues pruned to eliminate duplicates Z: 16 7.968 1.557 0.024 0.805 1.000 0.867 CB 0.988 16 residues pruned to eliminate duplicates Z: 13 25.493 1.844 0.726 0.891 1.000 0.667 N 1.663 13 residues pruned to eliminate duplicates Z: 14 19.337 1.968 0.393 0.852 0.923 0.615 CB 1.568 14 residues pruned to eliminate duplicates Z: 18 29.207 1.934 0.863 0.909 0.882 0.529 CB 1.581 18 residues pruned to eliminate duplicates Z: 10 8.396 1.938 0.651 0.804 0.889 0.778 CB 0.755 10 residues pruned to eliminate duplicates Z: 6 3.736 1.197 0.664 0.285 1.000 0.600 O 1.068 Z: 7 4.524 1.346 0.527 0.414 0.833 0.333 CA 1.180 Z: 13 9.850 2.130 0.167 0.399 0.833 0.500 CB 1.527 13 residues pruned to eliminate duplicates Z: 6 3.232 1.545 0.641 0.476 0.600 0.600 CB 0.973 6 residues pruned to eliminate duplicates Z: 19 14.476 1.993 0.300 0.485 0.889 0.444 CB 1.504 19 residues pruned to eliminate duplicates Z: 12 6.633 1.675 0.728 0.394 0.727 0.545 CB 1.062 Z: 13 12.044 1.800 0.687 0.916 0.917 0.583 CB 0.882 11 residues pruned to eliminate duplicates Z: 13 20.490 1.963 0.487 0.853 1.000 0.750 CB 1.497 13 residues pruned to eliminate duplicates Z: 11 12.873 1.633 0.722 0.867 1.000 0.800 CB 1.059 11 residues pruned to eliminate duplicates Z: 14 4.843 1.843 0.378 0.284 0.615 0.462 CA 1.095 14 residues pruned to eliminate duplicates Z: 21 19.983 2.002 0.433 0.594 0.900 0.750 CB 1.582 22 residues pruned to eliminate duplicates Z: 15 29.067 2.219 0.641 0.880 0.929 0.857 CA 1.665 15 residues pruned to eliminate duplicates Z: 12 11.994 1.718 0.657 0.800 0.909 0.636 CB 1.074 12 residues pruned to eliminate duplicates Z: 10 6.261 1.637 0.433 0.809 0.889 0.556 CB 0.765 10 residues pruned to eliminate duplicates Z: 12 8.553 1.675 0.486 0.615 0.818 0.364 CB 1.136 12 residues pruned to eliminate duplicates Z: 9 9.995 1.667 0.427 0.843 1.000 0.750 CB 1.106 9 residues pruned to eliminate duplicates Z: 6 2.196 1.528 -0.123 0.236 0.800 0.400 CB 1.245 Z: 12 11.078 1.773 0.181 0.815 0.909 0.727 CB 1.334 12 residues pruned to eliminate duplicates Z: 11 13.033 1.806 0.317 0.868 0.900 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 74 40.836 2.112 0.755 0.530 0.904 0.493 CB 1.385 74 residues pruned to eliminate duplicates Z: 6 2.858 1.526 0.182 0.298 1.000 0.400 CB 0.887 Z: 60 29.481 1.950 0.462 0.549 0.915 0.576 CB 1.402 60 residues pruned to eliminate duplicates Z: 8 2.050 1.511 0.139 0.098 0.714 0.143 N 1.054 6 residues pruned to eliminate duplicates Z: 14 19.792 1.887 0.848 0.807 0.846 0.385 CB 1.424 14 residues pruned to eliminate duplicates Z: 26 29.584 1.959 0.888 0.807 0.880 0.520 CB 1.392 26 residues pruned to eliminate duplicates Z: 12 10.821 1.785 0.582 0.551 0.818 0.455 CB 1.343 12 residues pruned to eliminate duplicates Z: 12 10.998 1.603 0.534 0.848 0.818 0.727 CB 1.223 12 residues pruned to eliminate duplicates Z: 15 8.817 1.762 0.317 0.467 0.786 0.714 CB 1.337 15 residues pruned to eliminate duplicates Z: 25 27.152 2.031 0.871 0.655 0.958 0.458 CB 1.318 25 residues pruned to eliminate duplicates Z: 9 9.041 1.853 0.037 0.898 1.000 1.000 CB 1.190 9 residues pruned to eliminate duplicates Z: 18 15.272 1.654 0.499 0.816 0.941 0.471 CB 1.206 19 residues pruned to eliminate duplicates Z: 20 28.077 1.871 0.926 0.900 0.947 0.526 CB 1.348 20 residues pruned to eliminate duplicates Z: 26 23.373 1.984 0.703 0.570 0.800 0.640 CB 1.616 38 residues pruned to eliminate duplicates Z: 16 6.210 1.687 0.551 0.426 0.867 0.733 CB 0.764 16 residues pruned to eliminate duplicates Z: 7 6.175 1.599 0.414 0.532 1.000 0.833 CB 1.080 Z: 15 23.662 2.023 0.543 0.838 1.000 0.714 CA 1.514 15 residues pruned to eliminate duplicates Z: 9 6.978 1.953 0.582 0.351 0.875 0.375 CA 1.072 9 residues pruned to eliminate duplicates Z: 9 3.006 1.389 0.420 0.233 0.625 0.500 N 1.176 Z: 12 3.639 1.317 0.192 0.321 0.727 0.545 CB 1.169 Z: 12 15.895 1.731 0.791 0.894 0.909 0.545 CB 1.219 12 residues pruned to eliminate duplicates Z: 32 16.986 1.978 0.665 0.463 0.742 0.452 CB 1.297 32 residues pruned to eliminate duplicates Z: 62 48.408 2.224 0.872 0.535 0.918 0.410 CB 1.567 62 residues pruned to eliminate duplicates Z: 23 25.585 1.933 0.717 0.918 0.909 0.273 CB 1.275 23 residues pruned to eliminate duplicates Z: 6 5.338 1.558 0.463 0.608 0.800 0.400 N 1.182 Z: 8 2.295 1.571 0.371 0.289 0.714 0.286 CB 0.714 Z: 13 13.601 1.831 0.214 0.828 1.000 0.667 CB 1.330 13 residues pruned to eliminate duplicates Z: 10 14.888 1.807 0.466 0.896 1.000 1.000 CB 1.341 17 residues pruned to eliminate duplicates Z: 8 4.574 1.981 0.075 0.462 0.857 0.714 CB 0.984 7 residues pruned to eliminate duplicates Z: 8 2.981 1.553 0.218 0.347 0.714 0.571 N 0.984 Z: 7 3.946 1.448 0.929 0.415 0.833 0.333 N 0.756 Z: 10 9.135 1.584 0.703 0.713 0.889 0.444 CB 1.047 10 residues pruned to eliminate duplicates Z: 15 19.866 1.909 0.677 0.827 0.929 0.786 CA 1.345 15 residues pruned to eliminate duplicates Z: 7 2.734 1.167 0.424 0.466 1.000 0.667 CB 0.695 Z: 36 14.102 1.883 0.634 0.420 0.800 0.343 CB 1.052 36 residues pruned to eliminate duplicates Z: 8 2.981 1.489 0.304 0.317 0.714 0.571 CB 0.994 Z: 25 24.058 2.106 0.610 0.595 0.833 0.458 CB 1.587 26 residues pruned to eliminate duplicates Z: 19 15.332 1.743 0.321 0.919 1.000 0.889 CB 1.107 19 residues pruned to eliminate duplicates Z: 10 10.260 1.689 0.658 0.688 1.000 0.667 CB 1.028 10 residues pruned to eliminate duplicates Z: 6 2.212 1.397 0.013 0.729 1.000 0.600 CB 0.568 Z: 6 6.305 1.689 0.513 0.643 0.800 0.800 O 1.207 6 residues pruned to eliminate duplicates Z: 55 34.260 2.246 0.741 0.361 0.870 0.519 CB 1.592 55 residues pruned to eliminate duplicates Z: 57 28.432 1.947 0.563 0.579 0.875 0.500 CB 1.322 57 residues pruned to eliminate duplicates Z: 6 2.872 1.461 0.045 0.591 1.000 0.600 CB 0.771 Z: 10 2.713 1.318 0.591 0.373 0.778 0.333 CB 0.635 Z: 17 6.604 1.739 0.302 0.345 0.812 0.438 CB 1.062 17 residues pruned to eliminate duplicates Z: 8 4.116 1.487 0.542 0.434 0.714 0.429 CB 1.017 8 residues pruned to eliminate duplicates Z: 79 51.807 2.172 0.792 0.486 0.949 0.513 CB 1.612 82 residues pruned to eliminate duplicates Z: 25 9.388 1.883 0.423 0.300 0.750 0.583 CB 1.192 25 residues pruned to eliminate duplicates Z: 15 11.196 1.853 0.630 0.412 0.714 0.429 N 1.521 15 residues pruned to eliminate duplicates Z: 9 6.413 1.956 -0.132 0.503 1.000 0.625 CB 1.332 9 residues pruned to eliminate duplicates Z: 6 3.957 1.434 0.439 0.466 1.000 0.400 CB 0.888 Z: 6 5.543 1.696 0.372 0.609 0.800 0.800 N 1.201 Z: 18 15.747 1.770 0.543 0.571 0.941 0.471 CB 1.388 18 residues pruned to eliminate duplicates Z: 11 5.667 1.602 0.004 0.572 0.900 0.600 CB 1.154 11 residues pruned to eliminate duplicates Z: 14 28.040 1.942 0.756 0.940 1.000 1.000 CB 1.584 14 residues pruned to eliminate duplicates Z: 18 17.370 1.995 0.684 0.498 0.882 0.706 CB 1.424 18 residues pruned to eliminate duplicates Z: 10 7.279 1.943 0.523 0.921 1.000 0.889 CB 0.577 9 residues pruned to eliminate duplicates Z: 6 2.567 1.453 0.306 0.380 0.800 0.200 C 0.860 Z: 51 31.570 1.988 0.698 0.631 0.920 0.600 CB 1.271 95 residues pruned to eliminate duplicates Z: 38 15.912 1.888 0.447 0.395 0.838 0.568 CB 1.276 38 residues pruned to eliminate duplicates Z: 12 23.288 2.049 0.470 0.851 1.000 0.909 CB 1.725 13 residues pruned to eliminate duplicates Z: 19 16.460 1.707 0.711 0.894 1.000 0.556 CB 0.953 Z: 18 14.011 1.932 0.428 0.555 0.824 0.588 CA 1.418 18 residues pruned to eliminate duplicates Z: 7 9.247 1.858 0.553 0.730 1.000 0.500 CA 1.063 7 residues pruned to eliminate duplicates Z: 7 8.110 1.614 0.551 0.608 1.000 0.833 CA 1.193 7 residues pruned to eliminate duplicates Z: 30 52.700 2.312 1.089 0.795 1.000 0.828 CB 1.565 30 residues pruned to eliminate duplicates Z: 23 29.021 1.942 0.843 0.914 0.955 0.591 CB 1.280 23 residues pruned to eliminate duplicates Z: 18 16.004 1.931 0.462 0.643 0.824 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 8 7.415 1.847 0.244 0.655 1.000 0.571 CB 1.056 7 residues pruned to eliminate duplicates Z: 6 4.139 1.420 0.212 0.483 1.000 0.400 C 1.094 Z: 18 17.434 2.276 0.490 0.353 0.941 0.588 CB 1.553 18 residues pruned to eliminate duplicates Z: 6 4.922 1.648 0.572 0.455 0.800 0.800 N 1.112 Z: 16 8.441 1.825 0.414 0.501 0.800 0.467 CB 1.055 17 residues pruned to eliminate duplicates Z: 11 8.708 1.817 0.436 0.431 0.800 0.800 CA 1.417 11 residues pruned to eliminate duplicates Z: 9 13.239 1.566 1.113 0.884 1.000 0.625 CA 1.022 9 residues pruned to eliminate duplicates Z: 13 18.629 1.991 0.605 0.863 0.833 0.500 CB 1.481 13 residues pruned to eliminate duplicates Z: 25 14.165 2.112 0.523 0.395 0.708 0.583 CB 1.418 25 residues pruned to eliminate duplicates Z: 16 19.217 1.948 0.356 0.853 1.000 1.000 CA 1.389 16 residues pruned to eliminate duplicates Z: 6 5.174 1.611 0.582 0.519 0.800 0.600 N 1.113 Z: 16 13.722 1.751 0.812 0.534 0.867 0.600 CB 1.246 16 residues pruned to eliminate duplicates Z: 14 17.258 1.853 0.526 0.648 1.000 0.538 CB 1.474 14 residues pruned to eliminate duplicates Z: 11 4.253 1.786 -0.108 0.389 0.800 0.600 CB 1.187 11 residues pruned to eliminate duplicates Z: 16 6.384 1.678 0.572 0.439 0.667 0.333 CB 0.998 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 2.643 1.351 0.891 0.281 0.571 0.143 CB 0.876 7 residues pruned to eliminate duplicates Z: 6 5.593 1.624 0.896 0.407 0.800 0.200 CA 1.120 Z: 13 14.418 1.927 0.428 0.777 0.833 0.583 CB 1.422 13 residues pruned to eliminate duplicates Z: 13 15.050 1.892 0.461 0.769 0.833 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 14 15.742 1.815 0.426 0.708 1.000 0.615 CB 1.398 14 residues pruned to eliminate duplicates Z: 17 11.595 1.843 0.466 0.556 0.938 0.375 CB 1.084 17 residues pruned to eliminate duplicates Z: 10 18.077 2.101 0.320 0.810 1.000 0.667 CB 1.659 10 residues pruned to eliminate duplicates Z: 14 16.479 1.952 0.527 0.718 0.923 0.462 CB 1.364 14 residues pruned to eliminate duplicates Z: 15 13.997 1.836 0.427 0.694 0.857 0.571 CB 1.396 15 residues pruned to eliminate duplicates Z: 12 17.296 1.930 0.645 0.777 0.909 0.545 CB 1.415 14 residues pruned to eliminate duplicates Z: 6 2.062 1.192 0.148 0.297 1.000 0.400 CA 0.845 Z: 7 4.925 1.310 0.510 0.466 1.000 0.667 N 1.053 Z: 12 8.533 1.666 0.230 0.788 1.000 0.727 CB 0.975 12 residues pruned to eliminate duplicates Z: 15 14.240 1.679 0.179 0.891 1.000 0.714 CB 1.383 14 residues pruned to eliminate duplicates Z: 13 17.605 1.762 0.497 0.876 1.000 0.500 CA 1.401 13 residues pruned to eliminate duplicates Z: 14 14.202 1.742 0.203 0.930 1.000 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 14 13.400 1.777 0.456 0.776 0.923 0.769 CB 1.219 14 residues pruned to eliminate duplicates Z: 25 10.737 1.733 0.395 0.493 0.750 0.542 CB 1.218 14 residues pruned to eliminate duplicates Z: 12 14.822 1.774 0.533 0.854 1.000 0.545 CB 1.214 12 residues pruned to eliminate duplicates Z: 14 11.467 1.733 0.510 0.723 0.846 0.615 CB 1.174 14 residues pruned to eliminate duplicates Z: 14 16.650 1.803 0.446 0.789 1.000 0.615 CA 1.375 14 residues pruned to eliminate duplicates Z: 16 12.306 1.671 0.324 0.711 0.933 0.667 CA 1.270 16 residues pruned to eliminate duplicates Z: 34 20.159 2.059 0.593 0.475 0.788 0.606 CB 1.393 34 residues pruned to eliminate duplicates Z: 18 10.300 1.844 0.288 0.563 0.882 0.706 CB 1.122 18 residues pruned to eliminate duplicates Z: 15 11.156 1.829 0.386 0.476 1.000 0.714 CB 1.205 15 residues pruned to eliminate duplicates Z: 16 8.510 1.858 0.227 0.400 0.867 0.600 CB 1.235 16 residues pruned to eliminate duplicates Z: 40 28.497 2.144 0.541 0.521 0.923 0.564 CB 1.465 40 residues pruned to eliminate duplicates Z: 12 23.157 2.059 0.870 0.724 1.000 0.545 CA 1.481 12 residues pruned to eliminate duplicates Z: 30 26.936 2.234 0.599 0.511 0.862 0.655 CB 1.606 30 residues pruned to eliminate duplicates Z: 29 21.011 2.149 0.531 0.399 0.857 0.536 CB 1.567 29 residues pruned to eliminate duplicates Z: 28 19.949 2.170 0.405 0.431 0.889 0.556 CB 1.522 28 residues pruned to eliminate duplicates Z: 28 27.217 2.192 0.610 0.526 0.963 0.481 CB 1.503 28 residues pruned to eliminate duplicates Z: 16 20.966 2.233 0.681 0.485 0.867 0.533 CB 1.689 16 residues pruned to eliminate duplicates Z: 37 22.944 2.034 0.513 0.454 0.889 0.528 CB 1.465 37 residues pruned to eliminate duplicates Z: 30 24.717 2.163 0.593 0.571 0.862 0.586 CB 1.442 30 residues pruned to eliminate duplicates Z: 30 23.696 2.161 0.544 0.529 0.828 0.483 CB 1.549 30 residues pruned to eliminate duplicates Z: 29 27.244 2.184 0.628 0.546 0.929 0.607 CB 1.491 29 residues pruned to eliminate duplicates Z: 35 22.995 2.058 0.588 0.458 0.882 0.529 CB 1.427 35 residues pruned to eliminate duplicates Z: 29 28.055 2.214 0.695 0.482 0.929 0.643 CB 1.549 29 residues pruned to eliminate duplicates Z: 29 29.806 2.180 0.632 0.566 0.929 0.714 CB 1.599 29 residues pruned to eliminate duplicates Z: 26 21.118 2.179 0.457 0.441 0.920 0.720 CB 1.537 26 residues pruned to eliminate duplicates Z: 30 25.768 2.185 0.575 0.512 0.897 0.586 CB 1.533 30 residues pruned to eliminate duplicates Z: 30 18.959 2.095 0.535 0.461 0.862 0.483 CB 1.321 30 residues pruned to eliminate duplicates Z: 18 15.475 2.113 0.434 0.472 0.882 0.588 CB 1.445 18 residues pruned to eliminate duplicates Z: 24 19.216 2.097 0.562 0.470 0.870 0.652 CB 1.450 24 residues pruned to eliminate duplicates Z: 28 20.316 2.086 0.636 0.450 0.852 0.370 CB 1.415 28 residues pruned to eliminate duplicates Z: 28 29.594 2.137 0.819 0.549 0.926 0.593 CB 1.508 28 residues pruned to eliminate duplicates Z: 25 26.424 2.171 0.650 0.491 0.958 0.542 CB 1.585 25 residues pruned to eliminate duplicates Z: 31 26.657 2.060 0.697 0.540 0.867 0.500 CB 1.545 31 residues pruned to eliminate duplicates Z: 28 27.092 2.241 0.535 0.527 0.926 0.556 CB 1.595 28 residues pruned to eliminate duplicates Z: 53 29.401 2.007 0.802 0.369 0.885 0.442 CB 1.467 53 residues pruned to eliminate duplicates Z: 16 9.525 1.702 0.250 0.446 0.933 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 19 9.813 1.675 0.473 0.372 0.833 0.611 CB 1.290 20 residues pruned to eliminate duplicates Z: 8 5.853 1.746 0.344 0.357 0.857 0.429 CB 1.283 8 residues pruned to eliminate duplicates Z: 14 12.471 1.838 0.377 0.445 1.000 0.615 CB 1.446 14 residues pruned to eliminate duplicates Z: 6 4.735 1.885 0.188 0.355 1.000 0.400 CB 1.107 6 residues pruned to eliminate duplicates Z: 9 8.960 1.843 0.774 0.476 0.875 0.375 CB 1.134 9 residues pruned to eliminate duplicates Z: 8 11.217 2.058 0.793 0.552 1.000 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 10 9.301 1.895 0.767 0.523 1.000 0.778 CB 0.905 10 residues pruned to eliminate duplicates Z: 39 30.701 2.006 0.477 0.693 0.947 0.684 CA 1.487 40 residues pruned to eliminate duplicates Z: 9 13.524 1.722 0.623 0.849 1.000 0.750 CB 1.268 9 residues pruned to eliminate duplicates Z: 37 37.655 2.015 0.646 0.798 0.972 0.722 CB 1.500 37 residues pruned to eliminate duplicates Z: 38 42.946 2.045 0.862 0.791 0.946 0.784 CB 1.518 38 residues pruned to eliminate duplicates Z: 32 35.108 2.077 0.633 0.757 0.935 0.645 CB 1.581 32 residues pruned to eliminate duplicates Z: 35 36.157 2.039 0.652 0.787 0.941 0.794 CA 1.520 35 residues pruned to eliminate duplicates Z: 43 29.793 1.906 0.556 0.697 0.929 0.643 CB 1.395 43 residues pruned to eliminate duplicates Z: 34 41.976 2.095 0.781 0.809 0.939 0.697 CB 1.593 34 residues pruned to eliminate duplicates Z: 34 43.688 2.122 0.756 0.812 1.000 0.788 CB 1.555 38 residues pruned to eliminate duplicates Z: 30 36.250 1.999 0.654 0.822 1.000 0.759 CB 1.539 30 residues pruned to eliminate duplicates Z: 34 40.471 2.064 0.780 0.818 0.939 0.636 CB 1.549 34 residues pruned to eliminate duplicates Z: 31 36.035 2.117 0.543 0.790 0.967 0.667 CB 1.615 31 residues pruned to eliminate duplicates Z: 34 45.667 2.104 0.871 0.807 1.000 0.697 CB 1.545 34 residues pruned to eliminate duplicates Z: 29 32.187 1.943 0.514 0.892 1.000 0.643 CB 1.486 29 residues pruned to eliminate duplicates Z: 36 39.575 2.057 0.707 0.836 0.943 0.629 CB 1.512 36 residues pruned to eliminate duplicates Z: 36 39.428 2.067 0.778 0.798 0.914 0.629 CB 1.528 36 residues pruned to eliminate duplicates Z: 31 34.068 2.077 0.785 0.775 0.867 0.567 CB 1.518 31 residues pruned to eliminate duplicates Z: 35 40.810 2.059 0.744 0.792 1.000 0.647 CB 1.509 35 residues pruned to eliminate duplicates Z: 31 38.183 2.116 0.876 0.796 0.900 0.533 CB 1.506 31 residues pruned to eliminate duplicates Z: 35 41.069 2.060 0.820 0.796 0.941 0.676 CB 1.541 35 residues pruned to eliminate duplicates Z: 42 37.315 1.968 0.708 0.776 0.927 0.537 CB 1.467 42 residues pruned to eliminate duplicates Z: 35 38.224 2.057 0.860 0.827 0.882 0.471 CB 1.463 35 residues pruned to eliminate duplicates Z: 35 38.518 2.078 0.879 0.783 0.882 0.559 CB 1.495 35 residues pruned to eliminate duplicates Z: 36 43.720 2.065 0.985 0.802 0.943 0.457 CB 1.469 36 residues pruned to eliminate duplicates Z: 30 37.578 2.030 0.745 0.912 0.897 0.517 CB 1.555 30 residues pruned to eliminate duplicates Z: 34 45.664 2.113 0.982 0.813 0.970 0.758 CB 1.490 34 residues pruned to eliminate duplicates Z: 35 46.909 2.084 1.080 0.812 0.971 0.588 CB 1.458 35 residues pruned to eliminate duplicates Z: 35 45.539 2.083 0.935 0.815 1.000 0.618 CB 1.473 35 residues pruned to eliminate duplicates Z: 38 52.075 2.064 1.025 0.835 1.000 0.703 CB 1.534 38 residues pruned to eliminate duplicates Z: 26 43.025 2.012 0.873 0.928 1.000 0.480 CB 1.599 26 residues pruned to eliminate duplicates Z: 34 40.879 2.073 0.987 0.784 0.939 0.485 CB 1.432 34 residues pruned to eliminate duplicates Z: 36 42.722 2.022 0.969 0.848 0.971 0.429 CB 1.385 36 residues pruned to eliminate duplicates Z: 38 50.155 2.063 1.073 0.823 0.973 0.541 CB 1.498 38 residues pruned to eliminate duplicates Z: 31 41.169 1.960 0.975 0.931 0.967 0.367 CB 1.404 31 residues pruned to eliminate duplicates Z: 38 46.555 2.067 0.984 0.815 0.946 0.595 CB 1.500 38 residues pruned to eliminate duplicates Z: 22 26.649 1.901 0.944 0.736 0.857 0.429 CB 1.486 22 residues pruned to eliminate duplicates Z: 39 43.607 2.020 0.962 0.852 0.947 0.526 CB 1.394 39 residues pruned to eliminate duplicates Z: 32 25.339 2.002 0.556 0.556 0.903 0.581 CB 1.532 32 residues pruned to eliminate duplicates Z: 6 2.442 1.677 0.402 0.100 0.600 0.200 CB 1.290 Z: 15 27.406 2.083 0.609 0.744 1.000 0.714 CA 1.757 21 residues pruned to eliminate duplicates Z: 33 20.010 1.958 0.486 0.526 0.844 0.656 CB 1.404 33 residues pruned to eliminate duplicates Z: 28 26.533 2.081 0.581 0.657 0.963 0.519 CB 1.392 29 residues pruned to eliminate duplicates Z: 15 21.697 2.048 0.789 0.820 0.929 0.786 CB 1.291 15 residues pruned to eliminate duplicates Z: 29 23.402 2.029 0.551 0.560 0.893 0.464 CB 1.485 29 residues pruned to eliminate duplicates Z: 47 31.498 1.992 0.608 0.600 0.870 0.587 CB 1.516 56 residues pruned to eliminate duplicates Z: 13 22.623 2.150 0.599 0.841 0.917 0.500 CB 1.546 13 residues pruned to eliminate duplicates Z: 29 21.291 2.005 0.498 0.536 0.893 0.571 CB 1.448 29 residues pruned to eliminate duplicates Z: 27 27.612 2.097 0.608 0.646 0.923 0.577 CB 1.518 27 residues pruned to eliminate duplicates Z: 29 25.910 2.034 0.683 0.577 0.929 0.500 CB 1.430 29 residues pruned to eliminate duplicates Z: 24 25.394 2.105 0.691 0.618 0.957 0.478 CB 1.391 24 residues pruned to eliminate duplicates Z: 30 20.826 2.013 0.504 0.611 0.897 0.552 CB 1.282 30 residues pruned to eliminate duplicates Z: 30 24.068 2.046 0.573 0.551 0.862 0.517 CB 1.533 30 residues pruned to eliminate duplicates Z: 29 23.542 2.000 0.678 0.583 0.893 0.429 CB 1.371 29 residues pruned to eliminate duplicates Z: 27 25.566 2.079 0.618 0.610 0.923 0.538 CB 1.454 27 residues pruned to eliminate duplicates Z: 28 23.464 2.057 0.519 0.609 0.889 0.444 CB 1.466 28 residues pruned to eliminate duplicates Z: 28 26.954 2.083 0.604 0.604 0.926 0.630 CB 1.519 28 residues pruned to eliminate duplicates Z: 15 11.230 2.022 0.307 0.487 0.929 0.500 CB 1.239 15 residues pruned to eliminate duplicates Z: 30 23.505 2.018 0.558 0.632 0.931 0.517 CB 1.317 30 residues pruned to eliminate duplicates Z: 28 26.974 2.052 0.594 0.631 0.926 0.481 CB 1.515 28 residues pruned to eliminate duplicates Z: 29 25.200 2.066 0.608 0.572 0.857 0.464 CB 1.560 29 residues pruned to eliminate duplicates Z: 29 26.006 2.042 0.682 0.590 0.893 0.536 CB 1.471 29 residues pruned to eliminate duplicates Z: 59 30.195 1.922 0.492 0.619 0.897 0.603 CB 1.378 59 residues pruned to eliminate duplicates Z: 28 27.672 2.088 0.707 0.606 0.926 0.556 CB 1.459 28 residues pruned to eliminate duplicates Z: 30 21.175 1.992 0.589 0.575 0.931 0.483 CB 1.241 30 residues pruned to eliminate duplicates Z: 48 30.959 2.000 0.536 0.617 0.915 0.489 CB 1.438 48 residues pruned to eliminate duplicates Z: 52 24.678 1.947 0.409 0.575 0.902 0.549 CB 1.299 52 residues pruned to eliminate duplicates Z: 48 31.558 1.991 0.594 0.610 0.915 0.638 CB 1.429 48 residues pruned to eliminate duplicates Z: 18 20.256 1.989 0.396 0.778 0.941 0.706 CB 1.471 18 residues pruned to eliminate duplicates Z: 82 38.159 1.973 0.618 0.612 0.914 0.519 CB 1.308 82 residues pruned to eliminate duplicates Z: 19 22.563 2.011 0.752 0.680 0.889 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 21 17.450 1.933 0.411 0.695 0.800 0.550 CB 1.496 21 residues pruned to eliminate duplicates Z: 19 17.230 2.002 0.458 0.692 0.833 0.667 CB 1.401 19 residues pruned to eliminate duplicates Z: 17 17.124 2.027 0.234 0.750 0.938 0.688 CB 1.460 17 residues pruned to eliminate duplicates Z: 29 20.036 1.970 0.458 0.604 0.929 0.643 CB 1.285 29 residues pruned to eliminate duplicates Z: 19 18.515 1.967 0.561 0.716 0.889 0.500 CB 1.316 19 residues pruned to eliminate duplicates Z: 19 21.820 1.989 0.592 0.735 0.889 0.722 CB 1.480 19 residues pruned to eliminate duplicates Z: 20 17.404 1.966 0.689 0.691 0.789 0.579 CB 1.278 20 residues pruned to eliminate duplicates Z: 32 15.700 1.929 0.306 0.550 0.871 0.548 CB 1.224 32 residues pruned to eliminate duplicates Z: 32 21.192 1.960 0.642 0.573 0.903 0.581 CB 1.220 32 residues pruned to eliminate duplicates Z: 17 26.229 2.087 0.617 0.754 0.938 0.750 CA 1.653 17 residues pruned to eliminate duplicates Z: 20 19.732 1.893 0.704 0.677 0.895 0.579 CB 1.333 20 residues pruned to eliminate duplicates Z: 26 17.834 1.833 0.623 0.578 0.880 0.600 CB 1.264 26 residues pruned to eliminate duplicates Z: 18 25.547 2.044 0.603 0.811 0.941 0.765 CB 1.532 18 residues pruned to eliminate duplicates Z: 25 25.145 1.879 0.410 0.853 0.958 0.833 CB 1.494 25 residues pruned to eliminate duplicates Z: 17 19.677 1.945 0.623 0.690 0.812 0.500 CB 1.611 17 residues pruned to eliminate duplicates Z: 32 22.114 1.903 0.670 0.571 0.871 0.581 CB 1.339 32 residues pruned to eliminate duplicates Z: 49 34.359 1.984 0.641 0.643 0.896 0.583 CB 1.487 46 residues pruned to eliminate duplicates Z: 17 22.753 1.925 0.652 0.920 0.938 0.688 CB 1.343 17 residues pruned to eliminate duplicates Z: 19 16.203 1.843 0.484 0.558 0.944 0.778 CB 1.398 19 residues pruned to eliminate duplicates Z: 19 22.862 1.915 0.804 0.787 0.889 0.778 CB 1.364 19 residues pruned to eliminate duplicates Z: 17 25.465 1.999 0.952 0.818 0.875 0.562 CB 1.415 17 residues pruned to eliminate duplicates Z: 24 29.434 1.934 0.645 0.852 0.957 0.783 CB 1.492 24 residues pruned to eliminate duplicates Z: 26 27.298 1.905 0.612 0.801 0.960 0.840 CB 1.424 26 residues pruned to eliminate duplicates Z: 27 26.507 1.899 0.625 0.812 1.000 0.577 CB 1.284 27 residues pruned to eliminate duplicates Z: 26 26.637 1.847 0.712 0.808 0.960 0.520 CB 1.341 26 residues pruned to eliminate duplicates Z: 38 25.140 1.891 0.748 0.688 0.865 0.676 CB 1.217 38 residues pruned to eliminate duplicates Z: 39 24.362 1.900 0.621 0.651 0.895 0.526 CB 1.247 39 residues pruned to eliminate duplicates Z: 36 29.473 1.910 0.733 0.732 0.943 0.629 CB 1.296 36 residues pruned to eliminate duplicates Z: 26 30.056 1.944 0.826 0.783 0.960 0.640 CB 1.375 26 residues pruned to eliminate duplicates Z: 53 35.641 1.963 0.706 0.673 0.904 0.538 CB 1.392 53 residues pruned to eliminate duplicates Z: 36 26.670 1.905 0.773 0.705 0.857 0.543 CB 1.292 36 residues pruned to eliminate duplicates Z: 33 20.771 1.899 0.693 0.738 0.844 0.594 CB 1.093 33 residues pruned to eliminate duplicates Z: 36 29.902 1.899 0.871 0.733 0.914 0.400 CB 1.262 36 residues pruned to eliminate duplicates Z: 24 28.729 1.922 0.947 0.860 0.913 0.696 CB 1.290 24 residues pruned to eliminate duplicates Z: 21 18.171 1.907 0.512 0.693 0.900 0.700 CB 1.312 43 residues pruned to eliminate duplicates Z: 6 6.048 1.686 0.405 0.386 1.000 0.600 CB 1.288 6 residues pruned to eliminate duplicates Z: 18 20.340 1.956 0.476 0.761 0.941 0.647 CB 1.440 20 residues pruned to eliminate duplicates Z: 15 22.197 1.939 0.538 0.913 1.000 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 19 17.549 1.941 0.389 0.747 0.889 0.611 CB 1.384 19 residues pruned to eliminate duplicates Z: 21 16.520 1.898 0.459 0.625 0.900 0.550 CB 1.318 21 residues pruned to eliminate duplicates Z: 20 19.031 1.929 0.655 0.633 0.842 0.684 CB 1.433 19 residues pruned to eliminate duplicates Z: 14 20.494 2.049 0.385 0.885 1.000 0.692 CB 1.447 14 residues pruned to eliminate duplicates Z: 21 17.916 1.886 0.583 0.630 0.900 0.500 CB 1.319 21 residues pruned to eliminate duplicates Z: 19 21.228 1.981 0.688 0.677 0.944 0.722 CB 1.347 19 residues pruned to eliminate duplicates Z: 19 25.833 1.983 0.848 0.789 0.944 0.611 CB 1.365 19 residues pruned to eliminate duplicates Z: 15 23.397 1.959 0.629 0.880 1.000 0.429 CB 1.421 15 residues pruned to eliminate duplicates Z: 16 22.213 2.047 0.796 0.795 0.867 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 19 17.828 1.890 0.665 0.757 0.833 0.556 CB 1.275 19 residues pruned to eliminate duplicates Z: 17 21.384 1.962 0.693 0.765 0.875 0.688 CB 1.454 17 residues pruned to eliminate duplicates Z: 20 21.535 1.958 0.593 0.744 0.947 0.737 CB 1.344 20 residues pruned to eliminate duplicates Z: 20 22.978 1.972 0.736 0.743 0.947 0.789 CB 1.308 19 residues pruned to eliminate duplicates Z: 16 20.740 1.920 0.500 0.856 1.000 0.867 CB 1.371 16 residues pruned to eliminate duplicates Z: 9 14.434 1.757 0.635 0.744 1.000 0.875 CB 1.428 9 residues pruned to eliminate duplicates Z: 9 11.580 1.774 0.582 0.621 0.875 0.625 CB 1.487 9 residues pruned to eliminate duplicates Z: 9 9.330 1.710 0.487 0.634 0.875 0.625 CB 1.308 9 residues pruned to eliminate duplicates Z: 9 14.106 1.759 0.892 0.750 0.875 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 8 10.078 1.817 0.477 0.678 0.857 0.714 CB 1.406 8 residues pruned to eliminate duplicates Z: 9 13.457 1.736 0.692 0.743 1.000 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 10 8.757 1.609 0.759 0.694 0.778 0.667 CB 1.111 10 residues pruned to eliminate duplicates Z: 9 2.358 1.492 0.513 0.189 0.750 0.125 N 0.715 Z: 8 4.337 1.571 0.465 0.436 0.571 0.286 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 14.106 1.799 0.423 0.874 0.909 0.636 CB 1.330 12 residues pruned to eliminate duplicates Z: 6 7.554 1.695 0.751 0.517 0.800 0.200 CB 1.400 6 residues pruned to eliminate duplicates Z: 14 12.063 1.775 0.295 0.662 1.000 0.692 CB 1.253 17 residues pruned to eliminate duplicates Z: 14 14.063 1.707 0.422 0.773 1.000 0.615 CB 1.263 14 residues pruned to eliminate duplicates Z: 11 15.768 1.795 0.557 0.801 1.000 0.600 CB 1.371 11 residues pruned to eliminate duplicates Z: 11 12.353 1.781 0.423 0.742 0.900 0.700 CB 1.380 11 residues pruned to eliminate duplicates Z: 12 12.976 1.796 0.544 0.812 0.818 0.455 CB 1.314 12 residues pruned to eliminate duplicates Z: 10 9.441 1.787 0.406 0.666 0.889 0.667 CB 1.208 10 residues pruned to eliminate duplicates Z: 12 10.651 1.793 0.411 0.729 0.818 0.364 CB 1.262 12 residues pruned to eliminate duplicates Z: 8 13.502 2.093 0.304 0.763 1.000 0.429 CB 1.481 8 residues pruned to eliminate duplicates Z: 29 25.566 2.089 0.479 0.680 0.964 0.607 CB 1.374 28 residues pruned to eliminate duplicates Z: 12 22.600 1.962 0.714 0.822 1.000 0.364 CA 1.533 12 residues pruned to eliminate duplicates Z: 11 22.341 1.934 0.980 0.890 0.900 0.400 CB 1.475 11 residues pruned to eliminate duplicates Z: 15 10.884 1.923 0.828 0.637 0.714 0.214 CB 1.019 15 residues pruned to eliminate duplicates Z: 34 26.897 2.052 0.646 0.572 0.909 0.515 CB 1.422 34 residues pruned to eliminate duplicates Z: 33 22.539 2.044 0.496 0.552 0.906 0.469 CB 1.368 33 residues pruned to eliminate duplicates Z: 26 15.851 2.012 0.326 0.532 0.880 0.560 CB 1.309 26 residues pruned to eliminate duplicates Z: 27 25.783 2.075 0.519 0.606 0.923 0.654 CB 1.571 27 residues pruned to eliminate duplicates Z: 25 21.060 2.060 0.389 0.567 0.958 0.583 CB 1.469 25 residues pruned to eliminate duplicates Z: 12 12.327 2.044 0.213 0.474 1.000 0.364 CB 1.538 12 residues pruned to eliminate duplicates Z: 44 23.486 2.116 0.430 0.426 0.907 0.465 CB 1.408 44 residues pruned to eliminate duplicates Z: 17 16.579 2.194 0.226 0.608 0.938 0.688 CB 1.482 17 residues pruned to eliminate duplicates Z: 43 34.034 2.038 0.572 0.644 0.952 0.714 CA 1.505 43 residues pruned to eliminate duplicates Z: 61 31.406 2.104 0.544 0.447 0.900 0.467 CB 1.464 61 residues pruned to eliminate duplicates Z: 17 22.738 2.178 0.369 0.637 1.000 0.625 CA 1.677 17 residues pruned to eliminate duplicates Z: 26 24.502 2.150 0.382 0.627 0.960 0.520 CB 1.524 26 residues pruned to eliminate duplicates Z: 95 59.419 2.218 0.754 0.561 0.936 0.660 CB 1.587 95 residues pruned to eliminate duplicates Z: 19 19.778 2.087 0.494 0.554 0.944 0.611 CB 1.502 19 residues pruned to eliminate duplicates Z: 93 60.467 2.227 0.733 0.578 0.935 0.630 CB 1.620 104 residues pruned to eliminate duplicates Z: 11 14.597 2.075 0.565 0.678 0.800 0.400 CB 1.508 11 residues pruned to eliminate duplicates Z: 34 20.039 2.049 0.593 0.533 0.818 0.364 CB 1.264 34 residues pruned to eliminate duplicates Z: 29 15.749 2.127 0.382 0.292 0.857 0.464 CB 1.492 29 residues pruned to eliminate duplicates Z: 100 55.259 2.188 0.648 0.564 0.909 0.667 CB 1.592 100 residues pruned to eliminate duplicates Z: 87 59.006 2.232 0.815 0.571 0.930 0.663 CA 1.577 87 residues pruned to eliminate duplicates Z: 32 20.115 2.156 0.385 0.413 0.871 0.613 CB 1.522 32 residues pruned to eliminate duplicates Z: 88 55.126 2.237 0.720 0.544 0.897 0.621 CB 1.641 88 residues pruned to eliminate duplicates Z: 74 54.857 2.216 0.914 0.508 0.945 0.658 CB 1.589 74 residues pruned to eliminate duplicates Z: 111 64.329 2.215 0.718 0.600 0.927 0.645 CB 1.581 102 residues pruned to eliminate duplicates Z: 8 10.360 1.800 0.736 0.545 1.000 0.571 CA 1.199 8 residues pruned to eliminate duplicates Z: 64 59.763 2.285 0.967 0.572 0.968 0.683 CA 1.613 64 residues pruned to eliminate duplicates Z: 65 60.869 2.299 0.912 0.608 0.953 0.656 CA 1.639 65 residues pruned to eliminate duplicates Z: 23 16.068 2.026 0.764 0.333 0.773 0.500 CA 1.489 23 residues pruned to eliminate duplicates Z: 35 25.286 2.173 0.678 0.382 0.853 0.559 CB 1.582 35 residues pruned to eliminate duplicates Z: 53 38.230 2.239 0.752 0.443 0.923 0.481 CB 1.553 51 residues pruned to eliminate duplicates Z: 8 15.864 2.134 0.527 0.642 1.000 0.571 CA 1.611 8 residues pruned to eliminate duplicates Z: 97 56.059 2.219 0.773 0.550 0.896 0.625 CA 1.547 97 residues pruned to eliminate duplicates Z: 20 14.962 2.127 0.573 0.387 0.737 0.368 CA 1.571 20 residues pruned to eliminate duplicates Z: 35 21.401 2.151 0.403 0.359 0.941 0.529 CB 1.504 35 residues pruned to eliminate duplicates Z: 22 18.692 2.105 0.686 0.331 0.857 0.476 CB 1.614 22 residues pruned to eliminate duplicates Z: 20 18.314 2.200 0.454 0.346 0.895 0.526 CB 1.735 20 residues pruned to eliminate duplicates Z: 19 20.959 2.258 0.613 0.342 0.944 0.444 CB 1.704 19 residues pruned to eliminate duplicates Z: 50 30.062 2.131 0.524 0.421 0.918 0.592 CB 1.564 50 residues pruned to eliminate duplicates Z: 45 23.217 2.076 0.463 0.393 0.841 0.500 CB 1.535 45 residues pruned to eliminate duplicates Z: 68 53.066 2.237 0.789 0.568 0.940 0.657 CB 1.613 68 residues pruned to eliminate duplicates Z: 13 10.358 1.926 0.478 0.678 0.917 0.500 CB 0.972 13 residues pruned to eliminate duplicates Z: 11 11.175 2.063 0.527 0.758 0.800 0.500 CB 1.114 11 residues pruned to eliminate duplicates Z: 9 7.848 1.869 0.382 0.703 0.875 0.375 CB 1.021 9 residues pruned to eliminate duplicates Z: 12 10.671 2.000 0.762 0.742 0.818 0.455 CB 0.898 12 residues pruned to eliminate duplicates Z: 15 14.409 1.845 0.602 0.670 0.929 0.643 CB 1.199 15 residues pruned to eliminate duplicates Z: 10 13.564 2.089 0.793 0.854 0.889 0.778 CB 1.003 10 residues pruned to eliminate duplicates Z: 11 17.220 1.998 0.706 0.899 1.000 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 12 13.782 1.860 0.986 0.831 0.909 0.818 CB 0.930 12 residues pruned to eliminate duplicates Z: 11 12.413 2.051 0.764 0.775 0.900 0.700 CB 0.945 11 residues pruned to eliminate duplicates Z: 10 11.953 2.058 0.761 0.844 0.889 0.667 CB 0.920 10 residues pruned to eliminate duplicates Z: 107 49.854 2.112 0.676 0.515 0.896 0.509 CB 1.505 118 residues pruned to eliminate duplicates Z: 96 52.315 2.173 0.718 0.548 0.895 0.579 CB 1.532 88 residues pruned to eliminate duplicates Z: 6 2.712 1.409 0.260 0.373 1.000 0.800 C 0.782 6 residues pruned to eliminate duplicates Z: 25 20.288 2.142 0.378 0.541 0.833 0.500 CB 1.618 25 residues pruned to eliminate duplicates Z: 87 48.514 2.203 0.708 0.536 0.872 0.500 CB 1.538 87 residues pruned to eliminate duplicates Z: 83 46.235 2.210 0.603 0.521 0.890 0.573 CB 1.585 83 residues pruned to eliminate duplicates Z: 86 56.731 2.255 0.739 0.563 0.918 0.612 CB 1.608 86 residues pruned to eliminate duplicates Z: 24 21.363 2.133 0.507 0.560 0.870 0.435 CB 1.504 24 residues pruned to eliminate duplicates Z: 87 46.656 2.195 0.643 0.525 0.860 0.547 CB 1.581 87 residues pruned to eliminate duplicates Z: 21 24.022 2.228 0.586 0.580 0.850 0.250 CB 1.656 21 residues pruned to eliminate duplicates Z: 25 22.500 2.112 0.681 0.503 0.833 0.375 CB 1.548 25 residues pruned to eliminate duplicates Z: 80 48.275 2.211 0.752 0.532 0.861 0.646 CB 1.578 80 residues pruned to eliminate duplicates Z: 82 52.041 2.256 0.715 0.545 0.877 0.593 CB 1.632 82 residues pruned to eliminate duplicates Z: 82 50.614 2.259 0.692 0.559 0.864 0.679 CB 1.607 82 residues pruned to eliminate duplicates Z: 82 50.646 2.269 0.650 0.559 0.901 0.605 CB 1.575 82 residues pruned to eliminate duplicates Z: 80 51.751 2.281 0.684 0.573 0.886 0.633 CB 1.594 80 residues pruned to eliminate duplicates Z: 53 31.877 2.234 0.620 0.430 0.846 0.462 CB 1.552 53 residues pruned to eliminate duplicates Z: 67 43.062 2.265 0.625 0.527 0.909 0.576 CB 1.542 67 residues pruned to eliminate duplicates Z: 64 38.809 2.260 0.694 0.479 0.841 0.603 CB 1.551 64 residues pruned to eliminate duplicates Z: 80 54.323 2.275 0.626 0.556 0.937 0.608 CB 1.670 80 residues pruned to eliminate duplicates Z: 88 50.183 2.173 0.652 0.510 0.943 0.667 CB 1.574 88 residues pruned to eliminate duplicates Z: 85 52.336 2.246 0.668 0.565 0.893 0.631 CB 1.603 85 residues pruned to eliminate duplicates Z: 84 50.737 2.225 0.717 0.541 0.880 0.542 CB 1.592 84 residues pruned to eliminate duplicates Z: 66 45.106 2.271 0.754 0.469 0.908 0.523 CB 1.597 66 residues pruned to eliminate duplicates Z: 82 51.161 2.219 0.713 0.504 0.914 0.580 CB 1.631 82 residues pruned to eliminate duplicates Z: 61 42.183 2.203 0.662 0.538 0.917 0.667 CB 1.564 61 residues pruned to eliminate duplicates Z: 39 23.499 2.157 0.603 0.334 0.895 0.605 CB 1.477 39 residues pruned to eliminate duplicates Z: 77 53.354 2.230 0.709 0.589 0.934 0.697 CB 1.579 77 residues pruned to eliminate duplicates Z: 63 46.564 2.239 0.762 0.527 0.935 0.597 CB 1.560 63 residues pruned to eliminate duplicates Z: 84 51.069 2.219 0.725 0.508 0.904 0.578 CB 1.607 84 residues pruned to eliminate duplicates Z: 66 49.704 2.202 0.743 0.558 0.954 0.646 CB 1.592 66 residues pruned to eliminate duplicates Z: 61 50.054 2.290 0.736 0.552 0.933 0.617 CB 1.655 61 residues pruned to eliminate duplicates Z: 69 56.370 2.241 0.811 0.626 0.926 0.647 CB 1.615 69 residues pruned to eliminate duplicates Z: 56 28.685 2.201 0.578 0.399 0.836 0.473 CB 1.480 56 residues pruned to eliminate duplicates Z: 83 59.316 2.267 0.747 0.554 0.915 0.659 CB 1.715 83 residues pruned to eliminate duplicates Z: 60 46.893 2.253 0.674 0.536 0.949 0.678 CB 1.647 60 residues pruned to eliminate duplicates Z: 64 50.944 2.253 0.841 0.536 0.921 0.667 CB 1.623 64 residues pruned to eliminate duplicates Z: 81 57.482 2.295 0.686 0.564 0.925 0.663 CB 1.688 81 residues pruned to eliminate duplicates Z: 64 51.292 2.234 0.815 0.546 0.921 0.651 CB 1.655 64 residues pruned to eliminate duplicates Z: 89 55.923 2.197 0.723 0.553 0.920 0.580 CB 1.625 89 residues pruned to eliminate duplicates Z: 60 55.014 2.321 0.761 0.584 0.932 0.678 CB 1.734 60 residues pruned to eliminate duplicates Z: 67 42.054 2.145 0.766 0.468 0.924 0.500 CB 1.527 67 residues pruned to eliminate duplicates Z: 62 48.019 2.236 0.757 0.551 0.918 0.656 CB 1.621 62 residues pruned to eliminate duplicates Z: 44 32.429 2.259 0.653 0.460 0.860 0.581 CB 1.605 44 residues pruned to eliminate duplicates Z: 70 52.569 2.197 0.685 0.607 0.971 0.681 CB 1.590 70 residues pruned to eliminate duplicates Z: 75 45.220 2.157 0.731 0.535 0.905 0.541 CB 1.503 75 residues pruned to eliminate duplicates Z: 50 43.601 2.306 0.865 0.484 0.918 0.551 CB 1.602 50 residues pruned to eliminate duplicates Z: 77 54.726 2.257 0.737 0.545 0.947 0.645 CB 1.617 77 residues pruned to eliminate duplicates Z: 65 51.064 2.204 0.788 0.580 0.922 0.516 CB 1.627 65 residues pruned to eliminate duplicates Z: 63 52.377 2.253 0.775 0.564 0.952 0.597 CB 1.643 63 residues pruned to eliminate duplicates Z: 41 53.487 2.280 0.932 0.698 0.975 0.750 CB 1.643 41 residues pruned to eliminate duplicates Z: 42 51.837 2.195 0.914 0.704 0.976 0.683 CA 1.641 42 residues pruned to eliminate duplicates Z: 67 48.705 2.271 0.795 0.514 0.879 0.576 CA 1.651 67 residues pruned to eliminate duplicates Z: 44 42.696 2.167 0.681 0.666 0.930 0.744 CB 1.648 44 residues pruned to eliminate duplicates Z: 56 43.832 2.279 0.791 0.496 0.891 0.564 CB 1.632 56 residues pruned to eliminate duplicates Z: 61 54.184 2.251 0.892 0.561 0.950 0.633 CB 1.630 61 residues pruned to eliminate duplicates Z: 60 51.866 2.273 0.786 0.575 0.932 0.593 CB 1.661 60 residues pruned to eliminate duplicates Z: 38 46.232 2.196 0.780 0.747 0.946 0.649 CB 1.648 38 residues pruned to eliminate duplicates Z: 36 45.537 2.194 0.781 0.716 0.971 0.771 CB 1.668 36 residues pruned to eliminate duplicates Z: 39 43.798 2.178 0.841 0.675 0.921 0.658 CB 1.637 39 residues pruned to eliminate duplicates Z: 44 51.566 2.250 0.927 0.706 0.930 0.791 CB 1.617 44 residues pruned to eliminate duplicates Z: 36 45.558 2.266 0.947 0.753 0.829 0.657 CB 1.682 36 residues pruned to eliminate duplicates Z: 59 56.798 2.317 0.822 0.584 0.983 0.690 CA 1.657 59 residues pruned to eliminate duplicates Z: 39 42.037 2.232 0.842 0.627 0.895 0.658 CB 1.645 39 residues pruned to eliminate duplicates Z: 32 44.531 2.256 1.096 0.680 0.871 0.613 CB 1.645 32 residues pruned to eliminate duplicates Z: 26 29.709 2.019 0.717 0.732 0.960 0.800 CA 1.450 26 residues pruned to eliminate duplicates Z: 69 58.539 2.243 0.889 0.566 0.971 0.647 CB 1.620 69 residues pruned to eliminate duplicates Z: 80 59.499 2.293 0.775 0.565 0.937 0.582 CB 1.649 80 residues pruned to eliminate duplicates Z: 67 45.648 2.188 0.874 0.536 0.909 0.500 CB 1.455 67 residues pruned to eliminate duplicates Z: 67 57.457 2.245 0.864 0.562 0.970 0.561 CB 1.640 67 residues pruned to eliminate duplicates Z: 67 52.524 2.219 0.918 0.550 0.939 0.591 CB 1.539 67 residues pruned to eliminate duplicates Z: 42 54.296 2.256 0.989 0.801 0.902 0.659 CB 1.609 42 residues pruned to eliminate duplicates Z: 34 51.377 2.262 1.237 0.775 0.848 0.636 CB 1.633 34 residues pruned to eliminate duplicates Z: 43 49.760 2.182 0.974 0.752 0.905 0.762 CB 1.573 43 residues pruned to eliminate duplicates Z: 65 47.156 2.223 0.833 0.550 0.891 0.516 CB 1.547 65 residues pruned to eliminate duplicates Z: 64 57.982 2.263 0.959 0.565 0.984 0.524 CB 1.572 64 residues pruned to eliminate duplicates Z: 80 57.687 2.296 0.834 0.562 0.924 0.633 CB 1.571 80 residues pruned to eliminate duplicates Z: 89 57.771 2.227 0.882 0.555 0.886 0.500 CB 1.571 89 residues pruned to eliminate duplicates Z: 23 35.815 2.138 0.951 0.805 0.955 0.727 CB 1.469 23 residues pruned to eliminate duplicates Z: 47 53.372 2.195 1.008 0.730 0.935 0.522 CB 1.553 47 residues pruned to eliminate duplicates Z: 98 53.503 2.151 0.794 0.495 0.928 0.485 CB 1.525 98 residues pruned to eliminate duplicates Z: 67 49.105 2.203 0.872 0.541 0.939 0.530 CB 1.498 67 residues pruned to eliminate duplicates Z: 28 40.620 2.112 1.076 0.828 0.926 0.704 CB 1.450 28 residues pruned to eliminate duplicates Z: 92 57.517 2.207 0.847 0.607 0.879 0.538 CB 1.520 90 residues pruned to eliminate duplicates Z: 26 36.713 2.023 1.013 0.869 0.960 0.640 CB 1.373 26 residues pruned to eliminate duplicates Z: 32 16.310 1.696 0.661 0.425 0.903 0.387 CB 1.245 32 residues pruned to eliminate duplicates Z: 23 12.941 1.626 0.723 0.485 0.773 0.318 CB 1.294 23 residues pruned to eliminate duplicates Z: 67 56.390 2.152 0.953 0.677 0.894 0.576 CB 1.570 67 residues pruned to eliminate duplicates Z: 13 3.970 1.389 0.999 0.233 0.750 0.167 N 0.751 13 residues pruned to eliminate duplicates Z: 58 51.404 2.190 0.943 0.691 0.895 0.684 CB 1.502 58 residues pruned to eliminate duplicates Z: 81 70.055 2.162 1.033 0.741 0.950 0.575 CB 1.511 81 residues pruned to eliminate duplicates Z: 9 13.619 1.921 0.944 0.618 1.000 0.875 CA 1.153 9 residues pruned to eliminate duplicates Z: 85 57.414 2.219 0.662 0.611 0.940 0.631 CB 1.626 85 residues pruned to eliminate duplicates Z: 45 53.688 2.290 0.976 0.713 0.955 0.705 CA 1.546 45 residues pruned to eliminate duplicates Z: 49 63.988 2.318 0.947 0.747 0.979 0.792 CA 1.676 58 residues pruned to eliminate duplicates Z: 7 12.567 1.916 0.773 0.593 1.000 0.333 CA 1.381 Z: 42 54.443 2.315 1.088 0.683 0.927 0.732 CA 1.605 49 residues pruned to eliminate duplicates Z: 48 55.936 2.312 1.004 0.699 0.915 0.660 CA 1.606 48 residues pruned to eliminate duplicates Z: 50 65.139 2.318 0.926 0.775 0.980 0.776 CA 1.669 50 residues pruned to eliminate duplicates Z: 49 63.147 2.326 0.941 0.780 0.917 0.771 CA 1.720 49 residues pruned to eliminate duplicates Z: 50 49.672 2.201 0.889 0.709 0.918 0.673 CA 1.537 50 residues pruned to eliminate duplicates Z: 58 63.998 2.245 0.830 0.786 0.982 0.807 CB 1.633 46 residues pruned to eliminate duplicates Z: 12 37.572 2.378 1.202 0.919 1.000 0.727 CA 1.524 Z: 43 65.167 2.375 1.001 0.800 0.976 0.810 CA 1.667 55 residues pruned to eliminate duplicates Z: 32 52.158 2.403 1.014 0.722 1.000 0.710 CA 1.585 32 residues pruned to eliminate duplicates Z: 60 48.356 2.265 0.887 0.582 0.881 0.593 CB 1.544 60 residues pruned to eliminate duplicates Z: 51 60.398 2.288 0.888 0.792 0.980 0.740 CA 1.561 51 residues pruned to eliminate duplicates Z: 60 62.865 2.215 0.891 0.768 0.966 0.763 CB 1.595 59 residues pruned to eliminate duplicates Z: 14 40.286 2.411 1.317 0.823 0.923 0.615 CB 1.638 14 residues pruned to eliminate duplicates Z: 50 53.557 2.231 0.941 0.713 0.939 0.694 CB 1.552 50 residues pruned to eliminate duplicates Z: 45 65.434 2.278 1.106 0.794 0.977 0.727 CA 1.626 45 residues pruned to eliminate duplicates Z: 42 62.091 2.358 1.122 0.762 0.951 0.683 CA 1.614 42 residues pruned to eliminate duplicates Z: 46 56.041 2.310 0.909 0.709 0.978 0.689 CA 1.603 46 residues pruned to eliminate duplicates Z: 64 55.282 2.171 0.765 0.748 0.952 0.730 CB 1.529 64 residues pruned to eliminate duplicates Z: 44 61.990 2.309 0.944 0.794 0.977 0.721 CA 1.666 44 residues pruned to eliminate duplicates Z: 43 56.899 2.330 0.991 0.737 0.929 0.786 CA 1.647 43 residues pruned to eliminate duplicates Z: 91 62.720 2.229 0.769 0.588 0.956 0.600 CB 1.612 91 residues pruned to eliminate duplicates Z: 41 71.812 2.356 1.258 0.754 1.000 0.725 CB 1.702 41 residues pruned to eliminate duplicates Z: 44 63.377 2.352 1.105 0.763 0.930 0.605 CA 1.663 44 residues pruned to eliminate duplicates Z: 48 58.984 2.296 1.063 0.718 0.915 0.553 CA 1.630 48 residues pruned to eliminate duplicates Z: 49 66.195 2.315 1.031 0.781 0.938 0.625 CB 1.692 49 residues pruned to eliminate duplicates Z: 49 68.416 2.355 1.031 0.776 0.958 0.667 CB 1.688 62 residues pruned to eliminate duplicates Z: 30 47.690 2.179 0.778 0.924 1.000 0.621 CA 1.605 30 residues pruned to eliminate duplicates Z: 25 41.869 2.199 0.761 0.896 1.000 0.542 CA 1.581 25 residues pruned to eliminate duplicates Z: 48 65.409 2.293 1.018 0.806 0.979 0.617 CB 1.613 48 residues pruned to eliminate duplicates Z: 43 64.343 2.322 1.022 0.825 0.976 0.643 CB 1.635 44 residues pruned to eliminate duplicates Z: 30 49.919 2.213 0.789 0.915 1.000 0.793 CB 1.654 30 residues pruned to eliminate duplicates Z: 60 62.259 2.265 0.877 0.749 0.966 0.492 CB 1.581 49 residues pruned to eliminate duplicates Z: 32 48.475 2.131 0.957 0.904 0.968 0.677 CB 1.536 32 residues pruned to eliminate duplicates Z: 29 28.352 2.059 0.499 0.826 0.929 0.571 CA 1.410 29 residues pruned to eliminate duplicates Z: 58 67.941 2.215 1.013 0.768 1.000 0.474 CB 1.591 55 residues pruned to eliminate duplicates Z: 15 25.986 2.027 0.694 0.891 0.929 0.643 CA 1.566 15 residues pruned to eliminate duplicates Z: 81 55.848 2.135 0.934 0.581 0.925 0.475 CB 1.512 81 residues pruned to eliminate duplicates Z: 44 61.046 2.304 1.096 0.802 0.953 0.349 CB 1.552 44 residues pruned to eliminate duplicates Z: 44 64.903 2.309 1.144 0.825 0.977 0.419 CB 1.545 44 residues pruned to eliminate duplicates Z: 44 53.249 2.238 1.061 0.705 0.930 0.442 CB 1.571 44 residues pruned to eliminate duplicates Z: 50 65.168 2.283 1.172 0.757 0.918 0.388 CB 1.627 50 residues pruned to eliminate duplicates Z: 61 58.241 2.230 0.881 0.744 0.933 0.333 CB 1.544 61 residues pruned to eliminate duplicates Z: 43 38.048 2.190 0.963 0.658 0.810 0.405 CB 1.457 43 residues pruned to eliminate duplicates Z: 45 54.494 2.265 1.198 0.666 0.932 0.364 CB 1.519 45 residues pruned to eliminate duplicates Z: 14 10.080 1.901 0.122 0.713 0.846 0.538 CB 1.277 14 residues pruned to eliminate duplicates Z: 9 9.586 2.020 0.033 0.832 1.000 0.750 CB 1.219 9 residues pruned to eliminate duplicates Z: 60 52.638 2.203 0.922 0.674 0.915 0.508 CB 1.507 60 residues pruned to eliminate duplicates Z: 13 15.655 1.949 0.262 0.785 1.000 0.583 CB 1.429 13 residues pruned to eliminate duplicates Z: 14 14.639 1.803 0.473 0.782 0.923 0.538 CB 1.291 14 residues pruned to eliminate duplicates Z: 12 16.121 1.949 0.419 0.870 1.000 0.636 CB 1.283 12 residues pruned to eliminate duplicates Z: 58 64.533 2.186 1.120 0.782 0.982 0.579 CB 1.464 58 residues pruned to eliminate duplicates Z: 62 62.625 2.218 1.061 0.768 0.951 0.508 CB 1.454 62 residues pruned to eliminate duplicates Z: 54 65.636 2.222 1.096 0.810 1.000 0.528 CB 1.477 54 residues pruned to eliminate duplicates Z: 88 55.501 2.134 0.765 0.671 0.931 0.586 CB 1.449 63 residues pruned to eliminate duplicates Z: 15 13.511 1.752 0.411 0.785 1.000 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 15 24.803 1.949 0.636 0.888 0.929 0.786 CA 1.614 15 residues pruned to eliminate duplicates Z: 17 21.333 1.896 0.672 0.746 0.875 0.812 CB 1.543 17 residues pruned to eliminate duplicates Z: 13 19.790 1.989 0.788 0.776 0.833 0.833 CA 1.511 13 residues pruned to eliminate duplicates Z: 20 20.749 1.864 0.607 0.661 0.947 0.684 CB 1.446 20 residues pruned to eliminate duplicates Z: 12 24.099 2.036 0.823 0.832 0.909 0.818 CA 1.617 12 residues pruned to eliminate duplicates Z: 14 25.766 1.901 0.769 0.821 1.000 0.769 CA 1.609 14 residues pruned to eliminate duplicates Z: 13 27.501 1.929 0.863 0.929 1.000 0.917 CA 1.545 13 residues pruned to eliminate duplicates Z: 22 22.986 1.917 0.737 0.654 0.952 0.667 CB 1.370 14 residues pruned to eliminate duplicates Z: 14 25.739 1.915 0.706 0.905 1.000 0.923 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 26.236 1.973 0.805 0.871 0.923 0.769 CA 1.615 14 residues pruned to eliminate duplicates Z: 17 24.579 1.874 0.762 0.734 1.000 0.625 N 1.508 17 residues pruned to eliminate duplicates Z: 23 19.013 1.837 0.564 0.658 0.909 0.727 CB 1.340 23 residues pruned to eliminate duplicates Z: 17 25.199 1.825 0.781 0.793 1.000 0.812 CA 1.499 17 residues pruned to eliminate duplicates Z: 16 27.613 1.936 0.807 0.773 1.000 0.800 CB 1.601 16 residues pruned to eliminate duplicates Z: 10 4.361 1.715 0.375 0.360 0.778 0.556 CB 0.922 10 residues pruned to eliminate duplicates Z: 7 7.881 1.873 0.599 0.544 1.000 0.667 CB 1.029 7 residues pruned to eliminate duplicates Z: 10 2.955 1.632 0.338 0.344 0.889 0.556 CB 0.602 10 residues pruned to eliminate duplicates Z: 11 6.427 1.726 0.635 0.411 1.000 0.700 CB 0.790 11 residues pruned to eliminate duplicates Z: 10 3.545 1.764 0.643 0.373 0.778 0.667 CB 0.601 9 residues pruned to eliminate duplicates Z: 19 12.846 1.634 0.104 0.899 1.000 0.667 O 1.200 18 residues pruned to eliminate duplicates Z: 17 13.367 1.652 0.176 0.863 0.938 0.875 CB 1.346 17 residues pruned to eliminate duplicates Z: 17 15.021 1.705 0.228 0.877 0.938 0.938 CB 1.389 17 residues pruned to eliminate duplicates Z: 23 20.604 1.667 0.433 0.909 1.000 0.909 O 1.305 23 residues pruned to eliminate duplicates Z: 9 11.617 1.767 0.395 0.853 1.000 0.750 CB 1.231 9 residues pruned to eliminate duplicates Z: 16 12.898 1.729 0.423 0.724 1.000 0.600 CB 1.106 16 residues pruned to eliminate duplicates Z: 18 13.124 1.698 0.299 0.787 0.941 0.647 CB 1.191 18 residues pruned to eliminate duplicates Z: 16 12.197 1.732 0.345 0.855 0.867 0.667 CB 1.151 16 residues pruned to eliminate duplicates Z: 18 13.770 1.665 0.303 0.818 0.941 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 16 14.755 1.767 0.330 0.869 0.933 0.667 CB 1.269 16 residues pruned to eliminate duplicates Z: 16 13.573 1.697 0.605 0.717 0.867 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 14 13.975 1.607 0.573 0.826 0.923 0.615 CB 1.252 14 residues pruned to eliminate duplicates Z: 18 14.721 1.726 0.342 0.855 0.941 0.294 CB 1.209 18 residues pruned to eliminate duplicates Z: 7 4.473 1.741 0.389 0.709 0.833 0.667 CB 0.749 7 residues pruned to eliminate duplicates Z: 9 10.367 1.800 0.682 0.852 0.875 0.875 CB 1.023 9 residues pruned to eliminate duplicates Z: 19 15.232 1.707 0.493 0.863 0.944 0.333 CB 1.094 19 residues pruned to eliminate duplicates Z: 13 12.180 1.760 0.577 0.775 1.000 0.583 CB 0.994 13 residues pruned to eliminate duplicates Z: 7 12.603 1.717 0.633 0.824 1.000 0.500 O 1.386 7 residues pruned to eliminate duplicates Z: 11 13.108 1.826 0.418 0.850 1.000 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 20 17.593 1.679 0.678 0.837 0.947 0.737 CB 1.131 20 residues pruned to eliminate duplicates Z: 13 12.352 1.721 0.534 0.736 0.917 0.500 CB 1.192 13 residues pruned to eliminate duplicates Z: 11 13.697 2.017 0.422 0.701 0.900 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 13 9.870 1.936 0.472 0.389 0.833 0.500 CB 1.349 14 residues pruned to eliminate duplicates Z: 10 17.536 1.850 0.604 0.889 1.000 0.889 CB 1.418 10 residues pruned to eliminate duplicates Z: 17 14.055 1.835 0.449 0.537 0.938 0.375 CB 1.360 19 residues pruned to eliminate duplicates Z: 10 16.123 1.903 0.717 0.862 0.889 0.667 CB 1.358 10 residues pruned to eliminate duplicates Z: 15 18.332 2.033 0.798 0.552 0.929 0.500 CB 1.372 14 residues pruned to eliminate duplicates Z: 10 17.177 1.914 0.623 0.881 1.000 0.778 CB 1.335 10 residues pruned to eliminate duplicates Z: 10 22.061 1.915 0.943 0.891 1.000 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 10 17.573 1.879 0.899 0.895 1.000 0.667 CB 1.176 10 residues pruned to eliminate duplicates Z: 14 18.836 1.953 0.583 0.748 1.000 0.615 CB 1.354 14 residues pruned to eliminate duplicates Z: 16 12.739 1.891 0.498 0.485 0.867 0.600 CB 1.359 16 residues pruned to eliminate duplicates Z: 65 27.470 1.964 0.414 0.525 0.938 0.703 CB 1.287 65 residues pruned to eliminate duplicates Z: 16 12.683 1.903 0.390 0.512 0.933 0.533 CB 1.312 18 residues pruned to eliminate duplicates Z: 7 9.396 1.986 0.559 0.784 0.833 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 24 13.081 2.015 0.313 0.426 0.826 0.565 CB 1.348 24 residues pruned to eliminate duplicates Z: 14 13.369 1.990 0.476 0.579 1.000 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 24 16.270 2.048 0.345 0.509 0.870 0.565 CB 1.403 24 residues pruned to eliminate duplicates Z: 64 34.875 2.038 0.499 0.575 0.952 0.651 CB 1.405 64 residues pruned to eliminate duplicates Z: 17 8.005 1.768 0.272 0.496 0.875 0.625 CB 1.021 17 residues pruned to eliminate duplicates Z: 15 12.696 1.967 0.369 0.502 0.929 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 25 17.016 2.037 0.540 0.469 0.875 0.625 CB 1.306 25 residues pruned to eliminate duplicates Z: 28 16.341 2.030 0.446 0.421 0.852 0.444 CB 1.365 28 residues pruned to eliminate duplicates Z: 51 29.060 2.079 0.476 0.568 0.900 0.680 CB 1.393 51 residues pruned to eliminate duplicates Z: 27 18.058 2.004 0.422 0.522 1.000 0.615 CB 1.216 27 residues pruned to eliminate duplicates Z: 31 13.116 1.931 0.340 0.444 0.800 0.467 CB 1.226 31 residues pruned to eliminate duplicates Z: 64 32.371 2.038 0.544 0.574 0.921 0.603 CB 1.311 64 residues pruned to eliminate duplicates Z: 32 14.550 1.953 0.519 0.402 0.806 0.516 CB 1.212 32 residues pruned to eliminate duplicates Z: 38 20.992 1.982 0.431 0.475 0.946 0.514 CB 1.318 38 residues pruned to eliminate duplicates Z: 43 28.484 2.045 0.682 0.591 0.881 0.571 CB 1.329 43 residues pruned to eliminate duplicates Z: 62 34.021 2.033 0.640 0.537 0.902 0.590 CB 1.397 62 residues pruned to eliminate duplicates Z: 64 33.408 2.050 0.519 0.558 0.889 0.667 CB 1.437 64 residues pruned to eliminate duplicates Z: 36 25.019 1.983 0.556 0.515 0.971 0.600 CB 1.389 8 residues pruned to eliminate duplicates Z: 6 6.709 1.561 0.860 0.282 1.000 0.600 O 1.321 6 residues pruned to eliminate duplicates Z: 62 29.558 2.010 0.589 0.511 0.869 0.574 CB 1.349 109 residues pruned to eliminate duplicates Z: 65 31.924 2.011 0.537 0.567 0.906 0.688 CB 1.336 65 residues pruned to eliminate duplicates Z: 39 35.221 2.067 0.698 0.669 0.974 0.711 CB 1.430 Z: 12 23.970 1.975 0.912 0.889 1.000 0.636 CB 1.378 12 residues pruned to eliminate duplicates Z: 29 28.415 2.078 0.696 0.616 1.000 0.607 CB 1.365 29 residues pruned to eliminate duplicates Z: 42 28.710 1.989 0.542 0.607 0.951 0.634 CB 1.388 42 residues pruned to eliminate duplicates Z: 28 26.874 2.091 0.722 0.610 0.926 0.407 CB 1.398 28 residues pruned to eliminate duplicates Z: 41 31.638 2.045 0.658 0.633 0.950 0.575 CB 1.370 41 residues pruned to eliminate duplicates Z: 41 32.821 2.006 0.637 0.623 0.975 0.625 CB 1.443 41 residues pruned to eliminate duplicates Z: 59 33.086 2.037 0.691 0.530 0.914 0.672 CB 1.341 98 residues pruned to eliminate duplicates Z: 51 31.077 2.084 0.610 0.540 0.900 0.660 CB 1.399 51 residues pruned to eliminate duplicates Z: 51 33.018 2.013 0.590 0.601 0.980 0.680 CB 1.352 51 residues pruned to eliminate duplicates Z: 39 34.259 2.050 0.663 0.664 1.000 0.763 CB 1.400 Z: 12 24.462 2.136 0.840 0.834 1.000 0.636 CB 1.407 12 residues pruned to eliminate duplicates Z: 31 28.087 2.037 0.779 0.599 0.967 0.667 CB 1.332 31 residues pruned to eliminate duplicates Z: 6 3.803 1.477 0.719 0.359 0.800 0.200 CB 0.974 6 residues pruned to eliminate duplicates Z: 41 34.935 2.036 0.585 0.644 1.000 0.725 CB 1.496 39 residues pruned to eliminate duplicates Z: 6 6.689 1.846 0.733 0.363 1.000 0.600 CA 1.083 6 residues pruned to eliminate duplicates Z: 40 35.958 2.043 0.778 0.677 0.974 0.615 CB 1.382 40 residues pruned to eliminate duplicates Z: 6 4.303 1.653 0.009 0.436 1.000 0.800 CA 1.232 6 residues pruned to eliminate duplicates Z: 42 29.781 1.996 0.604 0.613 0.976 0.585 CB 1.339 41 residues pruned to eliminate duplicates Z: 15 11.552 1.703 0.209 0.715 1.000 0.786 CA 1.235 14 residues pruned to eliminate duplicates Z: 16 11.656 1.762 0.126 0.715 1.000 0.800 CB 1.248 16 residues pruned to eliminate duplicates Z: 41 31.021 1.981 0.640 0.657 0.950 0.700 CB 1.374 41 residues pruned to eliminate duplicates Z: 41 30.041 2.022 0.542 0.646 0.950 0.625 CB 1.400 41 residues pruned to eliminate duplicates Z: 13 12.440 1.837 0.097 0.734 1.000 0.917 CB 1.444 13 residues pruned to eliminate duplicates Z: 15 17.294 1.835 0.356 0.888 1.000 0.786 CB 1.338 15 residues pruned to eliminate duplicates Z: 17 13.616 1.811 0.297 0.830 0.875 0.750 CB 1.245 17 residues pruned to eliminate duplicates Z: 12 16.622 1.858 0.397 0.821 1.000 0.909 CB 1.461 14 residues pruned to eliminate duplicates Z: 13 13.941 1.864 0.492 0.853 0.917 0.667 CB 1.167 13 residues pruned to eliminate duplicates Z: 15 20.923 1.869 0.667 0.907 1.000 0.929 CB 1.275 15 residues pruned to eliminate duplicates Z: 16 14.733 1.779 0.530 0.882 0.933 0.533 CB 1.084 16 residues pruned to eliminate duplicates Z: 34 24.960 2.038 0.319 0.565 0.970 0.545 CB 1.566 34 residues pruned to eliminate duplicates Z: 37 26.133 2.019 0.402 0.639 0.944 0.694 CB 1.430 35 residues pruned to eliminate duplicates Z: 13 15.995 2.001 0.312 0.704 0.917 0.667 CB 1.594 14 residues pruned to eliminate duplicates Z: 12 18.223 2.063 0.306 0.813 0.909 0.727 CB 1.708 12 residues pruned to eliminate duplicates Z: 39 26.183 1.990 0.488 0.567 0.921 0.658 CB 1.459 39 residues pruned to eliminate duplicates Z: 26 19.478 1.928 0.472 0.513 0.920 0.520 CB 1.473 26 residues pruned to eliminate duplicates Z: 37 26.613 1.996 0.405 0.600 0.972 0.722 CB 1.478 37 residues pruned to eliminate duplicates Z: 40 25.665 1.975 0.387 0.601 0.897 0.641 CB 1.518 40 residues pruned to eliminate duplicates Z: 38 28.697 2.038 0.483 0.652 0.865 0.622 CB 1.567 36 residues pruned to eliminate duplicates Z: 16 22.071 1.807 0.493 0.853 1.000 0.733 CA 1.561 18 residues pruned to eliminate duplicates Z: 14 16.799 1.867 0.475 0.824 0.846 0.615 CB 1.510 14 residues pruned to eliminate duplicates Z: 39 25.297 1.964 0.325 0.562 0.974 0.526 CB 1.525 39 residues pruned to eliminate duplicates Z: 26 23.163 2.029 0.560 0.604 0.880 0.600 CB 1.507 26 residues pruned to eliminate duplicates Z: 25 18.452 2.014 0.267 0.605 0.875 0.542 CB 1.527 25 residues pruned to eliminate duplicates Z: 38 28.619 2.023 0.467 0.638 0.919 0.622 CB 1.517 38 residues pruned to eliminate duplicates Z: 32 19.303 1.914 0.574 0.477 0.839 0.516 CB 1.405 32 residues pruned to eliminate duplicates Z: 26 20.726 1.948 0.314 0.544 0.960 0.760 CB 1.615 24 residues pruned to eliminate duplicates Z: 7 5.134 1.486 0.442 0.360 1.000 0.667 CA 1.137 7 residues pruned to eliminate duplicates Z: 37 27.731 2.044 0.401 0.633 0.917 0.667 CB 1.553 37 residues pruned to eliminate duplicates Z: 6 3.682 1.644 0.389 0.444 0.800 0.400 CA 0.955 6 residues pruned to eliminate duplicates Z: 28 24.000 1.988 0.549 0.572 0.926 0.630 CB 1.511 28 residues pruned to eliminate duplicates Z: 40 25.178 1.953 0.490 0.597 0.872 0.564 CB 1.450 40 residues pruned to eliminate duplicates Z: 38 29.364 2.015 0.523 0.650 0.865 0.649 CB 1.581 37 residues pruned to eliminate duplicates Z: 11 20.764 2.095 0.528 0.875 1.000 0.900 CB 1.492 12 residues pruned to eliminate duplicates Z: 11 13.759 1.957 0.265 0.757 0.900 0.600 CB 1.554 11 residues pruned to eliminate duplicates Z: 49 27.392 1.848 0.515 0.616 0.854 0.500 CB 1.483 47 residues pruned to eliminate duplicates Z: 10 17.433 2.144 0.252 0.827 1.000 0.667 CA 1.631 10 residues pruned to eliminate duplicates Z: 15 18.498 1.953 0.500 0.695 0.929 0.500 CB 1.519 15 residues pruned to eliminate duplicates Z: 13 13.752 1.955 0.573 0.720 0.833 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 12 19.679 1.885 0.770 0.773 0.909 0.636 CB 1.536 12 residues pruned to eliminate duplicates Z: 6 8.918 1.904 0.629 0.632 0.800 0.800 N 1.420 6 residues pruned to eliminate duplicates Z: 16 16.321 1.886 0.526 0.675 0.867 0.533 CA 1.438 16 residues pruned to eliminate duplicates Z: 27 17.792 1.919 0.487 0.576 0.846 0.462 CB 1.343 27 residues pruned to eliminate duplicates Z: 11 5.790 1.830 0.290 0.434 0.900 0.500 CB 0.923 8 residues pruned to eliminate duplicates Z: 11 12.280 1.973 0.413 0.567 0.900 0.500 CA 1.450 9 residues pruned to eliminate duplicates Z: 12 17.293 1.899 0.706 0.734 0.818 0.545 CA 1.594 12 residues pruned to eliminate duplicates Z: 28 24.725 2.068 0.662 0.443 0.963 0.370 CB 1.525 28 residues pruned to eliminate duplicates Z: 27 26.624 2.126 0.716 0.550 0.923 0.500 CB 1.476 27 residues pruned to eliminate duplicates Z: 46 26.240 2.022 0.760 0.464 0.844 0.467 CB 1.351 47 residues pruned to eliminate duplicates Z: 9 23.225 2.120 0.712 0.888 1.000 1.000 CA 1.629 9 residues pruned to eliminate duplicates Z: 27 22.591 2.069 0.656 0.553 0.923 0.538 CB 1.330 28 residues pruned to eliminate duplicates Z: 9 22.613 2.005 0.867 0.851 1.000 0.750 CB 1.582 9 residues pruned to eliminate duplicates Z: 25 20.283 2.102 0.726 0.479 0.875 0.458 CB 1.331 25 residues pruned to eliminate duplicates Z: 29 24.660 2.093 0.630 0.508 0.929 0.429 CB 1.460 27 residues pruned to eliminate duplicates Z: 6 4.282 1.971 0.461 0.289 0.800 0.800 CB 1.054 6 residues pruned to eliminate duplicates Z: 44 27.849 2.112 0.721 0.503 0.814 0.419 CB 1.431 44 residues pruned to eliminate duplicates Z: 20 12.401 1.962 0.596 0.502 0.737 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 35 19.381 2.024 0.525 0.419 0.853 0.559 CB 1.375 35 residues pruned to eliminate duplicates Z: 30 20.291 2.093 0.586 0.495 0.862 0.414 CB 1.323 30 residues pruned to eliminate duplicates Z: 33 23.145 2.111 0.417 0.537 0.906 0.594 CB 1.455 33 residues pruned to eliminate duplicates Z: 27 22.595 2.128 0.616 0.532 0.846 0.462 CB 1.476 27 residues pruned to eliminate duplicates Z: 24 14.129 2.087 0.639 0.435 0.783 0.478 CB 1.177 24 residues pruned to eliminate duplicates Z: 33 25.121 2.198 0.643 0.509 0.844 0.469 CB 1.445 33 residues pruned to eliminate duplicates Z: 31 25.863 2.213 0.672 0.435 0.967 0.567 CB 1.411 31 residues pruned to eliminate duplicates Z: 10 23.959 2.180 0.597 0.720 1.000 0.556 CB 1.881 10 residues pruned to eliminate duplicates Z: 55 30.892 2.085 0.697 0.489 0.889 0.500 CB 1.351 57 residues pruned to eliminate duplicates Z: 9 22.697 2.038 0.783 0.781 1.000 0.625 CA 1.723 9 residues pruned to eliminate duplicates Z: 35 20.528 2.048 0.651 0.370 0.824 0.412 CB 1.452 35 residues pruned to eliminate duplicates Z: 35 22.839 2.114 0.605 0.501 0.824 0.353 CB 1.400 35 residues pruned to eliminate duplicates Z: 22 20.156 2.227 0.867 0.468 0.762 0.429 CB 1.434 22 residues pruned to eliminate duplicates Z: 14 10.603 2.142 0.552 0.449 0.692 0.462 CB 1.346 14 residues pruned to eliminate duplicates Z: 40 22.124 2.117 0.710 0.441 0.795 0.513 CB 1.309 40 residues pruned to eliminate duplicates Z: 43 23.492 2.135 0.720 0.415 0.833 0.452 CB 1.294 43 residues pruned to eliminate duplicates Z: 21 20.582 2.261 0.752 0.516 0.850 0.700 CB 1.345 21 residues pruned to eliminate duplicates Z: 44 19.022 2.076 0.479 0.405 0.744 0.419 CB 1.404 44 residues pruned to eliminate duplicates Z: 19 21.277 2.275 0.842 0.512 0.778 0.500 CB 1.521 19 residues pruned to eliminate duplicates Z: 34 23.408 2.111 0.753 0.434 0.879 0.515 CB 1.342 34 residues pruned to eliminate duplicates Z: 44 22.886 2.050 0.673 0.434 0.791 0.442 CB 1.378 44 residues pruned to eliminate duplicates Z: 42 26.722 2.148 0.764 0.436 0.829 0.463 CB 1.419 42 residues pruned to eliminate duplicates Z: 22 20.573 2.162 0.775 0.539 0.810 0.429 CB 1.391 22 residues pruned to eliminate duplicates Z: 42 26.782 2.179 0.646 0.481 0.829 0.512 CB 1.434 42 residues pruned to eliminate duplicates Z: 8 5.202 1.927 1.011 0.238 0.714 0.571 CB 0.962 8 residues pruned to eliminate duplicates Z: 15 14.519 2.032 0.724 0.478 0.786 0.500 CB 1.441 15 residues pruned to eliminate duplicates Z: 52 30.460 2.059 0.569 0.510 0.941 0.569 CB 1.389 52 residues pruned to eliminate duplicates Z: 20 9.370 1.708 0.185 0.513 0.947 0.526 CB 1.107 20 residues pruned to eliminate duplicates Z: 13 8.200 1.723 0.124 0.418 1.000 0.417 CB 1.331 13 residues pruned to eliminate duplicates Z: 14 8.098 1.753 0.039 0.449 1.000 0.462 CB 1.300 14 residues pruned to eliminate duplicates Z: 13 10.720 1.844 0.140 0.579 1.000 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 14 9.633 1.766 0.242 0.557 1.000 0.462 CB 1.152 14 residues pruned to eliminate duplicates Z: 11 6.379 1.697 0.053 0.570 0.800 0.300 CA 1.318 11 residues pruned to eliminate duplicates Z: 14 8.818 1.821 0.055 0.482 1.000 0.538 CB 1.296 14 residues pruned to eliminate duplicates Z: 14 9.343 1.745 0.473 0.513 0.846 0.538 CB 1.176 14 residues pruned to eliminate duplicates Z: 14 6.763 1.584 0.560 0.376 0.692 0.308 CA 1.251 14 residues pruned to eliminate duplicates Z: 15 7.643 1.625 0.637 0.346 0.714 0.286 CB 1.270 11 residues pruned to eliminate duplicates Z: 6 4.203 1.539 0.592 0.314 0.800 0.200 N 1.179 6 residues pruned to eliminate duplicates Z: 29 23.342 2.094 0.418 0.605 0.964 0.643 CB 1.395 31 residues pruned to eliminate duplicates Z: 7 2.096 1.471 0.818 0.265 0.500 0.333 CA 0.837 7 residues pruned to eliminate duplicates Z: 27 23.278 2.086 0.517 0.603 0.923 0.538 CB 1.416 27 residues pruned to eliminate duplicates Z: 27 26.276 2.090 0.505 0.642 0.962 0.692 CB 1.492 27 residues pruned to eliminate duplicates Z: 31 24.254 2.018 0.490 0.574 0.967 0.667 CB 1.418 31 residues pruned to eliminate duplicates Z: 28 26.489 2.109 0.487 0.580 0.963 0.630 CB 1.563 28 residues pruned to eliminate duplicates Z: 30 25.690 2.024 0.632 0.581 0.931 0.552 CB 1.435 30 residues pruned to eliminate duplicates Z: 32 24.668 1.985 0.536 0.581 0.968 0.613 CB 1.389 32 residues pruned to eliminate duplicates Z: 30 24.760 2.046 0.542 0.592 0.931 0.621 CB 1.433 30 residues pruned to eliminate duplicates Z: 30 24.941 2.055 0.516 0.562 0.966 0.621 CB 1.449 30 residues pruned to eliminate duplicates Z: 30 27.773 2.063 0.691 0.588 0.966 0.552 CB 1.407 30 residues pruned to eliminate duplicates Z: 30 24.841 2.075 0.467 0.597 1.000 0.621 CB 1.382 30 residues pruned to eliminate duplicates Z: 31 22.583 2.009 0.529 0.580 0.900 0.500 CB 1.380 31 residues pruned to eliminate duplicates Z: 28 25.357 2.059 0.671 0.599 0.926 0.556 CB 1.393 28 residues pruned to eliminate duplicates Z: 27 27.483 2.093 0.655 0.620 0.923 0.577 CB 1.506 27 residues pruned to eliminate duplicates Z: 13 19.974 1.885 0.854 0.895 1.000 0.333 CB 1.183 13 residues pruned to eliminate duplicates Z: 32 21.408 2.008 0.560 0.581 0.871 0.484 CB 1.304 32 residues pruned to eliminate duplicates Z: 30 23.114 2.011 0.564 0.563 0.897 0.414 CB 1.432 30 residues pruned to eliminate duplicates Z: 30 28.977 2.066 0.656 0.606 0.966 0.586 CB 1.473 29 residues pruned to eliminate duplicates Z: 6 6.543 1.516 1.045 0.340 1.000 0.600 O 1.123 Z: 7 7.577 1.627 0.796 0.448 0.833 0.500 CB 1.339 6 residues pruned to eliminate duplicates Z: 6 5.711 1.610 0.513 0.419 1.000 0.800 CA 1.141 Z: 24 27.010 2.011 0.404 0.861 1.000 0.870 CB 1.466 24 residues pruned to eliminate duplicates Z: 41 27.350 2.009 0.386 0.684 0.925 0.700 CB 1.417 41 residues pruned to eliminate duplicates Z: 38 31.444 2.074 0.506 0.707 0.973 0.757 CB 1.410 38 residues pruned to eliminate duplicates Z: 39 31.735 2.002 0.554 0.679 0.947 0.658 CB 1.482 39 residues pruned to eliminate duplicates Z: 39 29.783 2.007 0.607 0.659 0.947 0.605 CB 1.364 39 residues pruned to eliminate duplicates Z: 38 32.899 2.010 0.475 0.747 0.973 0.649 CB 1.504 38 residues pruned to eliminate duplicates Z: 18 19.407 1.955 0.824 0.571 0.941 0.471 CB 1.309 18 residues pruned to eliminate duplicates Z: 16 20.126 1.960 0.827 0.696 0.867 0.533 CB 1.400 16 residues pruned to eliminate duplicates Z: 36 27.448 2.024 0.424 0.724 0.857 0.771 CB 1.535 36 residues pruned to eliminate duplicates Z: 39 38.713 2.058 0.734 0.719 0.974 0.632 CB 1.483 39 residues pruned to eliminate duplicates Z: 27 35.957 2.041 0.829 0.783 0.962 0.500 CB 1.531 27 residues pruned to eliminate duplicates Z: 26 30.563 1.993 0.814 0.831 0.840 0.520 CB 1.512 26 residues pruned to eliminate duplicates Z: 63 35.476 2.025 0.642 0.625 0.887 0.548 CB 1.358 80 residues pruned to eliminate duplicates Z: 23 33.958 2.036 0.775 0.906 0.955 0.636 CB 1.492 23 residues pruned to eliminate duplicates Z: 23 35.838 2.138 0.779 0.857 0.909 0.591 CB 1.628 23 residues pruned to eliminate duplicates Z: 31 30.718 2.079 0.624 0.707 0.933 0.700 CB 1.474 31 residues pruned to eliminate duplicates Z: 40 31.575 2.011 0.586 0.742 0.949 0.436 CB 1.345 40 residues pruned to eliminate duplicates Z: 20 29.683 2.023 0.854 0.854 0.947 0.632 CB 1.415 20 residues pruned to eliminate duplicates Z: 73 44.134 2.018 0.745 0.643 0.972 0.569 CB 1.329 73 residues pruned to eliminate duplicates Z: 73 35.210 1.969 0.630 0.595 0.903 0.486 CB 1.308 73 residues pruned to eliminate duplicates Z: 39 35.544 2.033 0.877 0.754 0.921 0.474 CB 1.309 39 residues pruned to eliminate duplicates Z: 53 42.819 2.037 0.745 0.713 0.942 0.500 CB 1.461 53 residues pruned to eliminate duplicates Z: 41 37.050 2.028 0.859 0.692 0.975 0.600 CB 1.337 41 residues pruned to eliminate duplicates Z: 33 30.965 2.052 0.686 0.711 0.969 0.594 CB 1.349 33 residues pruned to eliminate duplicates Z: 74 39.280 1.972 0.649 0.620 0.877 0.534 CB 1.441 92 residues pruned to eliminate duplicates Z: 6 2.818 1.519 0.471 0.233 0.800 0.800 CA 0.961 6 residues pruned to eliminate duplicates Z: 88 48.944 2.044 0.771 0.633 0.897 0.517 CB 1.427 88 residues pruned to eliminate duplicates Z: 51 39.340 2.055 0.675 0.712 0.940 0.540 CB 1.419 51 residues pruned to eliminate duplicates Z: 55 44.083 2.071 0.757 0.717 0.926 0.593 CB 1.463 55 residues pruned to eliminate duplicates Z: 43 32.302 1.983 0.732 0.682 0.905 0.524 CB 1.357 43 residues pruned to eliminate duplicates Z: 42 30.842 1.967 0.752 0.690 0.878 0.561 CB 1.337 42 residues pruned to eliminate duplicates Z: 35 23.481 1.972 0.540 0.576 0.765 0.441 CB 1.611 35 residues pruned to eliminate duplicates Z: 54 41.278 2.067 0.743 0.717 0.868 0.472 CB 1.490 54 residues pruned to eliminate duplicates Z: 53 45.654 2.096 0.778 0.737 0.923 0.596 CB 1.488 53 residues pruned to eliminate duplicates Z: 56 42.127 2.066 0.748 0.712 0.891 0.545 CB 1.457 56 residues pruned to eliminate duplicates Z: 53 45.711 2.080 0.759 0.744 0.942 0.654 CB 1.478 53 residues pruned to eliminate duplicates Z: 16 32.411 2.159 0.923 0.810 0.867 0.800 CB 1.775 16 residues pruned to eliminate duplicates Z: 53 44.856 2.090 0.897 0.747 0.885 0.577 CB 1.422 53 residues pruned to eliminate duplicates Z: 18 32.809 2.159 0.708 0.815 0.941 0.647 CA 1.744 18 residues pruned to eliminate duplicates Z: 18 29.508 2.146 0.715 0.765 0.882 0.647 CA 1.742 18 residues pruned to eliminate duplicates Z: 23 26.724 2.006 0.719 0.610 0.955 0.591 CB 1.560 23 residues pruned to eliminate duplicates Z: 18 31.482 2.190 0.825 0.762 0.882 0.588 CB 1.716 18 residues pruned to eliminate duplicates Z: 20 30.551 2.075 0.704 0.735 0.947 0.684 CA 1.694 20 residues pruned to eliminate duplicates Z: 17 33.402 2.162 0.900 0.761 0.938 0.750 CA 1.719 17 residues pruned to eliminate duplicates Z: 18 32.079 2.161 0.872 0.768 0.882 0.529 CA 1.719 18 residues pruned to eliminate duplicates Z: 18 31.906 2.152 0.857 0.755 0.882 0.706 CB 1.749 18 residues pruned to eliminate duplicates Z: 21 28.826 2.053 0.780 0.705 0.950 0.650 CA 1.541 21 residues pruned to eliminate duplicates Z: 18 28.641 2.150 0.737 0.765 0.882 0.765 CA 1.667 18 residues pruned to eliminate duplicates Z: 20 27.610 2.088 0.606 0.677 0.947 0.684 CA 1.694 20 residues pruned to eliminate duplicates Z: 30 21.354 2.120 0.534 0.467 0.897 0.552 CB 1.406 31 residues pruned to eliminate duplicates Z: 11 16.925 2.118 0.498 0.742 1.000 0.900 CB 1.359 11 residues pruned to eliminate duplicates Z: 28 26.034 2.250 0.518 0.550 0.963 0.556 CB 1.452 28 residues pruned to eliminate duplicates Z: 22 20.581 2.271 0.628 0.527 0.905 0.714 CB 1.308 22 residues pruned to eliminate duplicates Z: 32 23.647 2.036 0.590 0.573 0.806 0.645 CB 1.517 32 residues pruned to eliminate duplicates Z: 36 30.614 2.222 0.655 0.534 0.886 0.486 CB 1.536 36 residues pruned to eliminate duplicates Z: 24 22.199 2.184 0.634 0.476 0.913 0.522 CB 1.455 24 residues pruned to eliminate duplicates Z: 28 18.438 2.218 0.344 0.504 0.926 0.593 CB 1.280 28 residues pruned to eliminate duplicates Z: 39 27.093 2.108 0.647 0.533 0.895 0.474 CB 1.369 39 residues pruned to eliminate duplicates Z: 22 20.129 2.267 0.602 0.490 0.857 0.476 CB 1.427 22 residues pruned to eliminate duplicates Z: 27 26.853 2.170 0.717 0.578 0.923 0.538 CB 1.420 27 residues pruned to eliminate duplicates Z: 26 27.706 2.262 0.547 0.566 0.960 0.760 CB 1.547 26 residues pruned to eliminate duplicates Z: 17 18.248 2.079 0.519 0.524 0.938 0.625 CB 1.504 17 residues pruned to eliminate duplicates Z: 14 20.824 2.172 0.827 0.519 0.923 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 16 20.245 2.133 0.683 0.587 0.867 0.667 CB 1.546 16 residues pruned to eliminate duplicates Z: 26 24.359 2.169 0.568 0.497 0.920 0.680 CB 1.561 26 residues pruned to eliminate duplicates Z: 29 18.690 2.101 0.565 0.516 0.893 0.536 CB 1.184 29 residues pruned to eliminate duplicates Z: 28 21.174 2.207 0.537 0.534 0.815 0.370 CB 1.425 28 residues pruned to eliminate duplicates Z: 29 25.224 2.156 0.430 0.576 0.964 0.679 CB 1.491 29 residues pruned to eliminate duplicates Z: 29 22.632 2.201 0.450 0.512 0.929 0.536 CB 1.426 29 residues pruned to eliminate duplicates Z: 25 23.972 2.267 0.655 0.586 0.875 0.583 CB 1.372 25 residues pruned to eliminate duplicates Z: 25 23.684 2.096 0.721 0.536 0.833 0.583 CB 1.553 25 residues pruned to eliminate duplicates Z: 13 15.819 2.136 0.864 0.544 0.750 0.417 N 1.464 13 residues pruned to eliminate duplicates Z: 24 24.605 2.184 0.666 0.528 0.826 0.435 CB 1.660 24 residues pruned to eliminate duplicates Z: 34 25.760 2.156 0.572 0.509 0.848 0.515 CB 1.545 34 residues pruned to eliminate duplicates Z: 26 21.560 2.070 0.557 0.566 0.840 0.600 CB 1.494 26 residues pruned to eliminate duplicates Z: 40 28.888 2.153 0.584 0.524 0.872 0.462 CB 1.520 40 residues pruned to eliminate duplicates Z: 12 12.519 2.107 0.683 0.528 0.727 0.455 CB 1.424 12 residues pruned to eliminate duplicates Z: 39 33.293 2.174 0.768 0.512 0.895 0.579 CB 1.551 39 residues pruned to eliminate duplicates Z: 36 23.413 2.101 0.542 0.499 0.800 0.543 CB 1.529 36 residues pruned to eliminate duplicates Z: 24 26.362 2.169 0.621 0.603 0.870 0.522 CB 1.630 24 residues pruned to eliminate duplicates Z: 46 29.935 2.141 0.615 0.495 0.889 0.489 CB 1.460 50 residues pruned to eliminate duplicates Z: 14 17.916 2.136 0.507 0.688 0.923 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 51 30.038 2.129 0.626 0.531 0.880 0.620 CB 1.353 45 residues pruned to eliminate duplicates Z: 6 6.677 1.876 0.408 0.737 0.800 0.800 CB 1.142 6 residues pruned to eliminate duplicates Z: 25 16.331 2.094 0.385 0.534 0.875 0.542 CB 1.270 25 residues pruned to eliminate duplicates Z: 8 6.579 2.107 0.554 0.602 1.000 0.857 CB 0.689 8 residues pruned to eliminate duplicates Z: 41 23.229 2.105 0.587 0.535 0.825 0.600 CB 1.288 41 residues pruned to eliminate duplicates Z: 50 23.663 2.045 0.584 0.452 0.898 0.633 CB 1.221 50 residues pruned to eliminate duplicates Z: 27 12.414 2.053 0.539 0.459 0.731 0.423 CB 1.099 26 residues pruned to eliminate duplicates Z: 6 2.731 1.533 0.531 0.153 0.600 0.200 N 1.327 6 residues pruned to eliminate duplicates Z: 31 25.151 2.026 0.408 0.646 0.967 0.633 CB 1.454 31 residues pruned to eliminate duplicates Z: 29 24.779 2.049 0.500 0.633 0.893 0.536 CB 1.507 29 residues pruned to eliminate duplicates Z: 29 22.948 2.064 0.328 0.618 0.964 0.679 CB 1.468 29 residues pruned to eliminate duplicates Z: 29 24.342 2.069 0.352 0.627 0.964 0.714 CB 1.514 29 residues pruned to eliminate duplicates Z: 67 23.505 1.984 0.414 0.481 0.848 0.652 CB 1.239 64 residues pruned to eliminate duplicates Z: 17 29.263 2.135 0.797 0.833 0.938 0.750 CA 1.526 17 residues pruned to eliminate duplicates Z: 17 32.304 2.219 0.718 0.800 1.000 0.875 CA 1.629 17 residues pruned to eliminate duplicates Z: 17 23.633 2.055 0.627 0.799 0.875 0.750 CA 1.554 17 residues pruned to eliminate duplicates Z: 31 24.236 2.020 0.486 0.631 0.933 0.567 CB 1.397 31 residues pruned to eliminate duplicates Z: 16 29.679 2.159 0.753 0.806 0.933 0.600 CB 1.660 16 residues pruned to eliminate duplicates Z: 29 26.626 2.049 0.537 0.629 0.964 0.607 CB 1.468 29 residues pruned to eliminate duplicates Z: 61 31.017 2.076 0.571 0.580 0.833 0.633 CB 1.364 69 residues pruned to eliminate duplicates Z: 16 29.644 2.181 0.840 0.851 0.867 0.733 CA 1.629 16 residues pruned to eliminate duplicates Z: 28 22.948 2.120 0.500 0.639 0.815 0.704 CB 1.496 28 residues pruned to eliminate duplicates Z: 27 24.012 2.061 0.455 0.617 0.923 0.615 CB 1.524 27 residues pruned to eliminate duplicates Z: 28 29.828 2.118 0.688 0.676 0.926 0.704 CB 1.476 28 residues pruned to eliminate duplicates Z: 28 26.442 2.125 0.501 0.633 0.926 0.593 CB 1.521 28 residues pruned to eliminate duplicates Z: 29 26.411 2.103 0.391 0.653 0.964 0.643 CB 1.535 29 residues pruned to eliminate duplicates Z: 28 27.416 2.130 0.512 0.662 0.889 0.630 CB 1.585 28 residues pruned to eliminate duplicates Z: 45 30.780 2.095 0.486 0.626 0.886 0.500 CB 1.493 45 residues pruned to eliminate duplicates Z: 31 27.023 2.085 0.506 0.620 0.900 0.567 CB 1.559 31 residues pruned to eliminate duplicates Z: 12 17.239 2.190 0.238 0.754 0.909 0.818 CB 1.683 12 residues pruned to eliminate duplicates Z: 41 31.179 2.103 0.554 0.639 0.900 0.600 CB 1.472 40 residues pruned to eliminate duplicates Z: 11 24.503 2.310 0.470 0.868 1.000 0.700 CB 1.667 11 residues pruned to eliminate duplicates Z: 93 55.597 2.145 0.714 0.663 0.935 0.685 CB 1.451 100 residues pruned to eliminate duplicates Z: 12 17.893 2.058 0.392 0.803 0.909 0.727 CB 1.590 12 residues pruned to eliminate duplicates Z: 36 24.615 2.071 0.784 0.526 0.914 0.571 CB 1.200 36 residues pruned to eliminate duplicates Z: 48 24.671 1.939 0.704 0.501 0.872 0.532 CB 1.248 48 residues pruned to eliminate duplicates Z: 26 16.954 1.971 0.819 0.503 0.840 0.520 CB 1.123 26 residues pruned to eliminate duplicates Z: 21 20.381 2.040 0.772 0.615 0.850 0.600 CB 1.330 21 residues pruned to eliminate duplicates Z: 17 20.739 2.101 0.916 0.640 0.875 0.625 CB 1.292 17 residues pruned to eliminate duplicates Z: 44 21.380 1.995 0.602 0.430 0.907 0.535 CB 1.209 44 residues pruned to eliminate duplicates Z: 63 66.410 2.216 0.967 0.802 0.968 0.629 CB 1.535 63 residues pruned to eliminate duplicates Z: 44 48.921 2.232 0.664 0.805 0.953 0.744 CB 1.614 44 residues pruned to eliminate duplicates Z: 45 56.418 2.268 0.936 0.799 0.977 0.682 CB 1.526 45 residues pruned to eliminate duplicates Z: 49 48.251 2.193 0.785 0.753 0.938 0.521 CB 1.514 49 residues pruned to eliminate duplicates Z: 53 25.414 2.041 0.708 0.476 0.885 0.500 CB 1.170 53 residues pruned to eliminate duplicates Z: 34 23.951 2.138 0.790 0.564 0.788 0.364 CB 1.300 34 residues pruned to eliminate duplicates Z: 61 42.344 2.160 0.520 0.709 0.917 0.717 CB 1.503 61 residues pruned to eliminate duplicates Z: 62 55.284 2.215 0.690 0.737 0.934 0.656 CB 1.635 62 residues pruned to eliminate duplicates Z: 61 55.794 2.217 0.632 0.795 0.967 0.767 CB 1.589 61 residues pruned to eliminate duplicates Z: 6 2.164 1.532 0.427 0.224 0.600 0.400 CB 1.018 Z: 8 10.992 2.004 0.528 0.528 1.000 0.571 CA 1.319 6 residues pruned to eliminate duplicates Z: 16 30.387 2.260 0.910 0.752 1.000 0.667 CB 1.452 24 residues pruned to eliminate duplicates Z: 61 58.227 2.231 0.692 0.794 0.950 0.733 CB 1.620 61 residues pruned to eliminate duplicates Z: 63 60.949 2.221 0.659 0.809 0.984 0.774 CB 1.631 63 residues pruned to eliminate duplicates Z: 64 58.616 2.239 0.805 0.748 0.937 0.698 CB 1.564 64 residues pruned to eliminate duplicates Z: 33 31.234 2.248 0.747 0.620 0.875 0.656 CB 1.435 33 residues pruned to eliminate duplicates Z: 59 60.418 2.242 0.749 0.807 0.966 0.707 CB 1.603 59 residues pruned to eliminate duplicates Z: 34 51.495 2.337 0.974 0.773 1.000 0.636 CB 1.527 34 residues pruned to eliminate duplicates Z: 38 48.854 2.325 0.761 0.806 0.973 0.703 CB 1.544 38 residues pruned to eliminate duplicates Z: 63 61.228 2.239 0.889 0.768 0.935 0.661 CB 1.550 63 residues pruned to eliminate duplicates Z: 65 56.288 2.210 0.774 0.747 0.953 0.672 CB 1.511 65 residues pruned to eliminate duplicates Z: 63 61.873 2.215 0.720 0.776 0.984 0.661 CB 1.642 63 residues pruned to eliminate duplicates Z: 66 55.843 2.189 0.796 0.742 0.938 0.662 CB 1.511 66 residues pruned to eliminate duplicates Z: 55 49.052 2.212 0.728 0.726 0.944 0.667 CB 1.508 55 residues pruned to eliminate duplicates Z: 46 48.020 2.223 0.815 0.716 0.956 0.733 CB 1.527 46 residues pruned to eliminate duplicates Z: 59 45.055 2.148 0.725 0.689 0.897 0.552 CB 1.498 59 residues pruned to eliminate duplicates Z: 63 63.694 2.241 0.847 0.795 0.952 0.645 CB 1.586 63 residues pruned to eliminate duplicates Z: 42 58.212 2.254 1.115 0.785 0.951 0.561 CB 1.560 42 residues pruned to eliminate duplicates Z: 64 63.895 2.211 0.993 0.760 0.984 0.508 CB 1.473 64 residues pruned to eliminate duplicates Z: 50 57.149 2.250 0.986 0.779 0.939 0.469 CB 1.522 50 residues pruned to eliminate duplicates Z: 60 62.780 2.235 0.931 0.795 0.983 0.458 CB 1.488 60 residues pruned to eliminate duplicates Z: 56 60.801 2.214 1.138 0.765 0.945 0.455 CB 1.448 56 residues pruned to eliminate duplicates Z: 51 54.607 2.209 0.973 0.775 0.920 0.580 CB 1.512 51 residues pruned to eliminate duplicates Z: 49 43.419 2.160 0.981 0.655 0.875 0.396 CB 1.449 49 residues pruned to eliminate duplicates Z: 60 56.458 2.202 0.965 0.767 0.949 0.559 CB 1.412 60 residues pruned to eliminate duplicates Z: 21 23.643 2.011 0.959 0.645 0.900 0.350 CB 1.303 21 residues pruned to eliminate duplicates Z: 13 22.155 1.992 0.983 0.803 0.833 0.500 N 1.492 13 residues pruned to eliminate duplicates Z: 28 32.882 2.041 0.815 0.784 0.926 0.556 CB 1.437 28 residues pruned to eliminate duplicates Z: 71 56.971 2.187 0.981 0.704 0.929 0.543 CB 1.406 71 residues pruned to eliminate duplicates Z: 29 38.644 2.068 0.778 0.752 0.964 0.393 CB 1.645 29 residues pruned to eliminate duplicates Z: 63 69.932 2.235 1.054 0.800 1.000 0.484 CB 1.488 63 residues pruned to eliminate duplicates Z: 71 57.691 2.103 0.900 0.725 1.000 0.500 CB 1.408 71 residues pruned to eliminate duplicates Z: 65 59.451 2.180 0.993 0.783 0.938 0.438 CB 1.423 65 residues pruned to eliminate duplicates Z: 44 36.234 2.016 0.858 0.684 0.930 0.558 CB 1.339 44 residues pruned to eliminate duplicates Z: 25 21.968 2.033 0.907 0.574 0.792 0.417 CB 1.360 25 residues pruned to eliminate duplicates Z: 38 43.322 2.111 0.872 0.783 0.919 0.378 CB 1.528 38 residues pruned to eliminate duplicates Z: 63 63.766 2.205 1.068 0.768 0.935 0.403 CB 1.497 63 residues pruned to eliminate duplicates Z: 38 45.406 2.109 0.864 0.743 0.946 0.595 CB 1.616 38 residues pruned to eliminate duplicates Z: 34 29.053 2.070 0.815 0.589 0.848 0.303 CB 1.458 34 residues pruned to eliminate duplicates Z: 63 70.100 2.250 1.053 0.797 0.968 0.532 CB 1.535 63 residues pruned to eliminate duplicates Z: 14 28.961 2.173 0.870 0.824 1.000 0.538 CB 1.492 14 residues pruned to eliminate duplicates Z: 57 63.248 2.201 1.105 0.789 0.946 0.518 CB 1.496 57 residues pruned to eliminate duplicates Z: 16 20.805 2.068 0.744 0.782 0.867 0.533 CB 1.341 16 residues pruned to eliminate duplicates Z: 15 23.053 2.125 0.744 0.820 0.929 0.571 CB 1.357 15 residues pruned to eliminate duplicates Z: 60 68.057 2.256 0.945 0.805 0.983 0.525 CB 1.574 60 residues pruned to eliminate duplicates Z: 16 23.376 2.053 0.910 0.774 0.867 0.600 CB 1.394 16 residues pruned to eliminate duplicates 967 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 17 D: 9 E: 8 F: 12 G: 7 H: 12 I: 6 J: 10 K: 46 L: 10 M: 86 N: 20 O: 13 P: 160 Q: 57 R: 23 S: 23 T: 15 U: 41 V: 64 W: 146 X: 53 Y: 117 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 29.71 % ------------------------------------------------------------------------------ Global autotracing cycle 7 = 0.300, Contrast = 0.506, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.576, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.670, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.674, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.679, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.680, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.683, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.683, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.684, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.684, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7638 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1655 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 53.315 2.308 0.758 0.929 1.000 0.828 CB 1.708 B: 14 26.949 2.155 0.782 0.896 1.000 0.846 CA 1.393 C: 13 27.521 2.339 0.485 0.913 0.917 0.917 CB 1.766 D: 14 25.116 2.114 0.694 0.897 1.000 0.769 CA 1.392 14 residues pruned to eliminate duplicates E: 13 29.674 2.289 0.626 0.883 1.000 0.917 CA 1.664 14 residues pruned to eliminate duplicates F: 12 31.617 2.396 0.751 0.897 0.909 0.636 CA 1.789 12 residues pruned to eliminate duplicates G: 11 29.965 2.176 1.072 0.893 1.000 0.600 CB 1.508 H: 12 31.854 2.422 0.543 0.906 1.000 0.727 CA 1.827 12 residues pruned to eliminate duplicates I: 16 23.491 2.137 0.306 0.882 1.000 0.933 CA 1.572 J: 14 27.201 2.140 0.761 0.865 1.000 0.692 CA 1.466 14 residues pruned to eliminate duplicates K: 12 35.914 2.391 0.761 0.938 1.000 0.818 CA 1.788 12 residues pruned to eliminate duplicates L: 14 28.729 2.156 0.845 0.883 1.000 0.692 CB 1.449 14 residues pruned to eliminate duplicates M: 13 34.508 2.330 0.833 0.919 1.000 0.917 CA 1.644 12 residues pruned to eliminate duplicates N: 13 27.040 2.055 0.666 0.920 1.000 0.333 CB 1.607 O: 30 45.387 2.134 1.065 0.910 0.966 0.517 CB 1.405 P: 8 22.541 2.116 0.781 0.873 1.000 0.857 N 1.648 Q: 14 28.365 2.174 0.740 0.896 1.000 0.692 CA 1.490 14 residues pruned to eliminate duplicates R: 11 30.121 2.139 1.236 0.897 0.900 0.700 CB 1.584 11 residues pruned to eliminate duplicates S: 9 16.792 2.033 0.340 0.875 0.875 0.625 CA 1.811 T: 28 30.531 1.887 0.809 0.889 0.963 0.741 CA 1.287 U: 16 29.029 2.169 0.715 0.893 0.867 0.667 CB 1.670 V: 20 27.921 2.028 0.729 0.851 0.895 0.684 CB 1.511 W: 9 19.436 2.080 0.523 0.838 1.000 0.875 CB 1.622 9 residues pruned to eliminate duplicates X: 20 27.243 1.981 0.714 0.882 0.895 0.737 CB 1.488 13 residues pruned to eliminate duplicates Y: 14 26.484 2.148 0.600 0.885 0.923 0.692 CB 1.672 14 residues pruned to eliminate duplicates Z: 16 20.644 2.108 0.386 0.871 0.933 0.867 CA 1.425 16 residues pruned to eliminate duplicates Z: 23 30.779 2.303 0.278 0.937 1.000 0.909 CA 1.551 23 residues pruned to eliminate duplicates Z: 15 25.519 1.858 0.770 0.849 1.000 0.429 CB 1.537 15 residues pruned to eliminate duplicates Z: 12 11.113 1.997 0.225 0.825 0.727 0.727 CA 1.421 Z: 7 22.878 2.155 1.163 0.814 1.000 0.833 CA 1.526 6 residues pruned to eliminate duplicates Z: 13 35.437 2.293 0.800 0.926 1.000 0.500 CB 1.738 13 residues pruned to eliminate duplicates Z: 15 17.335 1.994 0.359 0.868 0.857 0.643 CB 1.459 15 residues pruned to eliminate duplicates Z: 12 18.463 2.045 0.364 0.855 0.909 0.818 CB 1.620 Z: 16 29.932 2.126 0.697 0.917 0.933 0.800 CA 1.619 16 residues pruned to eliminate duplicates Z: 13 33.976 2.327 0.855 0.935 1.000 0.917 CA 1.584 13 residues pruned to eliminate duplicates Z: 8 16.006 2.164 0.534 0.858 0.857 0.857 N 1.565 8 residues pruned to eliminate duplicates Z: 12 29.063 2.027 1.145 0.927 1.000 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 22 24.389 1.965 0.809 0.775 0.810 0.524 CB 1.451 22 residues pruned to eliminate duplicates Z: 9 27.193 2.121 1.079 0.884 1.000 0.875 CA 1.576 Z: 19 23.360 2.031 0.711 0.736 0.889 0.556 CB 1.442 19 residues pruned to eliminate duplicates Z: 12 22.150 2.177 0.843 0.808 0.818 0.727 CA 1.556 12 residues pruned to eliminate duplicates Z: 12 17.965 2.135 0.582 0.841 1.000 0.818 CB 1.196 Z: 15 27.273 2.012 0.641 0.891 1.000 0.857 CB 1.587 14 residues pruned to eliminate duplicates Z: 44 29.999 1.968 0.597 0.632 0.907 0.744 CB 1.418 Z: 16 34.841 2.161 0.770 0.908 1.000 0.667 CA 1.670 16 residues pruned to eliminate duplicates Z: 28 51.089 2.330 0.977 0.910 0.926 0.704 CB 1.635 28 residues pruned to eliminate duplicates Z: 13 19.137 1.943 0.663 0.870 1.000 0.833 CB 1.248 Z: 41 24.720 2.076 0.664 0.455 0.875 0.600 CB 1.354 9 residues pruned to eliminate duplicates Z: 17 25.681 1.910 0.822 0.799 1.000 0.688 CB 1.421 12 residues pruned to eliminate duplicates Z: 14 36.336 2.302 0.687 0.914 1.000 0.615 CB 1.835 15 residues pruned to eliminate duplicates Z: 16 24.889 1.953 0.682 0.877 0.867 0.600 CB 1.639 16 residues pruned to eliminate duplicates Z: 23 41.338 2.225 0.892 0.891 0.909 0.455 CB 1.656 23 residues pruned to eliminate duplicates Z: 13 25.735 2.122 0.536 0.904 1.000 0.917 CB 1.624 13 residues pruned to eliminate duplicates Z: 9 21.203 2.028 0.506 0.830 1.000 0.750 CB 1.845 8 residues pruned to eliminate duplicates Z: 7 21.130 2.285 1.139 0.790 0.833 0.833 CA 1.642 7 residues pruned to eliminate duplicates Z: 11 15.952 1.690 0.741 0.776 1.000 0.600 CA 1.343 11 residues pruned to eliminate duplicates Z: 24 38.364 2.124 0.973 0.830 0.957 0.696 CB 1.501 25 residues pruned to eliminate duplicates Z: 9 22.344 2.193 0.604 0.880 1.000 0.875 CA 1.628 9 residues pruned to eliminate duplicates Z: 8 25.702 2.319 0.762 0.908 1.000 0.857 CB 1.688 8 residues pruned to eliminate duplicates Z: 30 49.204 2.312 0.592 0.946 1.000 0.897 CA 1.717 30 residues pruned to eliminate duplicates Z: 12 22.460 2.115 0.519 0.846 0.909 0.818 CB 1.722 12 residues pruned to eliminate duplicates Z: 11 15.722 1.803 0.460 0.779 1.000 0.700 O 1.476 11 residues pruned to eliminate duplicates Z: 30 41.762 2.267 0.447 0.934 1.000 0.931 CA 1.649 29 residues pruned to eliminate duplicates Z: 23 39.049 2.011 0.880 0.932 1.000 0.909 CA 1.538 28 residues pruned to eliminate duplicates Z: 9 21.859 2.147 0.884 0.903 0.875 0.875 CB 1.557 Z: 17 31.314 2.102 0.966 0.885 1.000 0.500 CB 1.368 17 residues pruned to eliminate duplicates Z: 19 22.273 2.319 0.605 0.556 0.833 0.444 CB 1.603 Z: 11 13.708 1.802 0.500 0.780 1.000 0.600 CB 1.253 Z: 10 17.010 2.093 0.163 0.919 1.000 1.000 CB 1.642 10 residues pruned to eliminate duplicates Z: 22 35.245 2.054 0.825 0.909 0.952 0.571 CB 1.529 Z: 12 28.596 2.383 0.511 0.894 1.000 0.818 CA 1.717 12 residues pruned to eliminate duplicates Z: 11 20.997 2.179 0.395 0.863 0.900 0.700 CB 1.780 12 residues pruned to eliminate duplicates Z: 9 23.520 2.109 0.997 0.880 0.875 0.625 CB 1.635 9 residues pruned to eliminate duplicates Z: 13 17.399 1.976 0.542 0.826 0.833 0.667 CB 1.492 9 residues pruned to eliminate duplicates Z: 19 38.104 2.145 0.995 0.872 1.000 0.722 CB 1.530 19 residues pruned to eliminate duplicates Z: 27 36.609 2.299 0.392 0.915 1.000 0.885 CA 1.586 27 residues pruned to eliminate duplicates Z: 21 23.631 1.927 0.677 0.827 0.950 0.700 CB 1.297 21 residues pruned to eliminate duplicates Z: 25 37.971 2.057 0.880 0.860 1.000 0.792 CA 1.474 25 residues pruned to eliminate duplicates Z: 30 45.578 2.297 0.558 0.932 1.000 0.793 CA 1.651 30 residues pruned to eliminate duplicates Z: 11 15.490 1.708 0.610 0.815 0.900 0.500 CA 1.506 11 residues pruned to eliminate duplicates Z: 6 12.037 1.944 0.292 0.834 1.000 0.600 O 1.607 Z: 30 53.586 2.294 0.963 0.941 0.931 0.586 CB 1.647 30 residues pruned to eliminate duplicates Z: 21 32.499 2.068 0.786 0.897 0.950 0.750 CB 1.483 21 residues pruned to eliminate duplicates Z: 13 26.263 2.055 0.794 0.922 1.000 0.833 CA 1.446 12 residues pruned to eliminate duplicates Z: 6 6.883 2.268 0.460 0.504 0.600 0.200 CB 1.544 Z: 14 33.915 2.142 1.353 0.912 0.923 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 23 34.854 2.034 0.811 0.939 0.909 0.727 CB 1.541 21 residues pruned to eliminate duplicates Z: 16 17.919 1.724 0.707 0.773 0.933 0.733 O 1.323 10 residues pruned to eliminate duplicates Z: 30 47.262 2.306 0.552 0.932 1.000 0.828 CB 1.712 30 residues pruned to eliminate duplicates Z: 8 15.476 2.014 0.349 0.854 1.000 0.857 CA 1.590 8 residues pruned to eliminate duplicates Z: 12 30.152 2.174 0.679 0.916 1.000 0.909 CB 1.759 12 residues pruned to eliminate duplicates Z: 45 37.901 2.275 0.861 0.462 0.909 0.477 CB 1.542 19 residues pruned to eliminate duplicates Z: 12 9.396 1.742 0.062 0.737 1.000 0.636 CB 1.237 Z: 20 23.012 2.235 0.458 0.582 0.947 0.579 CB 1.581 11 residues pruned to eliminate duplicates Z: 15 35.638 2.247 0.660 0.939 1.000 0.857 CA 1.774 15 residues pruned to eliminate duplicates Z: 13 21.146 1.903 0.486 0.907 1.000 0.833 N 1.534 Z: 8 9.736 1.829 0.155 0.776 1.000 0.571 CB 1.364 9 residues pruned to eliminate duplicates Z: 30 52.232 2.322 0.806 0.919 0.966 0.517 CB 1.688 30 residues pruned to eliminate duplicates Z: 22 27.673 1.975 0.660 0.810 0.905 0.619 CB 1.554 21 residues pruned to eliminate duplicates Z: 9 9.791 1.829 0.158 0.744 0.875 0.750 CB 1.502 Z: 60 53.539 2.213 0.913 0.590 0.949 0.678 CA 1.591 64 residues pruned to eliminate duplicates Z: 25 33.598 1.924 0.760 0.871 1.000 0.750 CA 1.477 23 residues pruned to eliminate duplicates Z: 24 34.184 1.999 0.829 0.896 0.913 0.565 CB 1.530 24 residues pruned to eliminate duplicates Z: 8 18.504 2.175 0.767 0.849 1.000 0.714 CB 1.349 8 residues pruned to eliminate duplicates Z: 14 28.329 1.971 0.882 0.818 1.000 0.692 CB 1.607 Z: 15 21.277 2.172 0.253 0.874 0.929 0.786 CA 1.638 15 residues pruned to eliminate duplicates Z: 17 20.996 2.081 0.371 0.807 0.938 0.625 CA 1.501 16 residues pruned to eliminate duplicates Z: 15 24.818 1.987 0.583 0.897 0.929 0.714 CB 1.625 15 residues pruned to eliminate duplicates Z: 41 30.249 2.018 0.524 0.625 0.975 0.700 CB 1.417 44 residues pruned to eliminate duplicates Z: 17 17.702 1.769 0.433 0.842 1.000 0.625 CA 1.301 Z: 11 8.197 1.788 0.091 0.759 0.900 0.800 CB 1.173 11 residues pruned to eliminate duplicates Z: 19 40.791 2.145 1.136 0.921 1.000 0.667 CB 1.477 24 residues pruned to eliminate duplicates Z: 82 56.849 2.257 0.802 0.563 0.889 0.593 CB 1.644 80 residues pruned to eliminate duplicates Z: 28 37.129 2.029 0.504 0.932 1.000 0.519 CB 1.635 Z: 12 18.778 1.942 0.506 0.897 1.000 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 31 52.944 2.263 0.771 0.937 1.000 0.933 CB 1.678 31 residues pruned to eliminate duplicates Z: 6 4.998 2.070 0.542 0.804 1.000 0.600 CB 0.537 Z: 14 32.338 2.159 1.025 0.881 1.000 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 17 18.464 2.131 0.570 0.519 0.875 0.500 CB 1.547 14 residues pruned to eliminate duplicates Z: 14 24.232 1.885 0.586 0.887 1.000 0.846 CB 1.621 13 residues pruned to eliminate duplicates Z: 16 26.246 2.132 0.446 0.908 0.933 0.800 CB 1.672 16 residues pruned to eliminate duplicates Z: 12 27.013 2.192 0.662 0.907 1.000 1.000 CA 1.589 11 residues pruned to eliminate duplicates Z: 26 35.669 1.992 0.884 0.897 0.920 0.680 CB 1.479 20 residues pruned to eliminate duplicates Z: 31 37.570 2.237 0.413 0.912 1.000 0.867 CA 1.536 31 residues pruned to eliminate duplicates Z: 31 53.688 2.270 0.953 0.914 0.967 0.467 CB 1.617 31 residues pruned to eliminate duplicates Z: 14 31.528 2.134 0.916 0.902 1.000 1.000 CB 1.525 14 residues pruned to eliminate duplicates Z: 15 36.610 2.207 0.821 0.907 1.000 0.571 CA 1.731 14 residues pruned to eliminate duplicates Z: 52 30.535 2.172 0.624 0.546 0.824 0.627 CB 1.408 36 residues pruned to eliminate duplicates Z: 55 33.834 2.132 0.773 0.531 0.870 0.389 CB 1.357 39 residues pruned to eliminate duplicates Z: 18 25.803 1.965 0.830 0.914 0.824 0.706 CB 1.495 18 residues pruned to eliminate duplicates Z: 28 23.981 1.943 0.144 0.920 1.000 0.815 CA 1.461 28 residues pruned to eliminate duplicates Z: 31 45.736 2.062 0.816 0.907 1.000 0.767 CA 1.585 31 residues pruned to eliminate duplicates Z: 13 36.715 2.339 0.661 0.922 1.000 0.917 CA 1.918 13 residues pruned to eliminate duplicates Z: 23 31.544 2.126 0.528 0.885 1.000 0.864 CA 1.495 23 residues pruned to eliminate duplicates Z: 12 17.176 1.940 0.878 0.853 0.818 0.455 CB 1.284 12 residues pruned to eliminate duplicates Z: 11 29.334 2.464 0.461 0.864 1.000 0.700 CA 1.889 11 residues pruned to eliminate duplicates Z: 34 28.465 1.978 0.696 0.675 0.970 0.545 CB 1.296 33 residues pruned to eliminate duplicates Z: 14 24.123 2.133 0.601 0.857 0.846 0.846 CB 1.707 14 residues pruned to eliminate duplicates Z: 28 34.183 1.982 0.420 0.916 1.000 0.889 CA 1.651 28 residues pruned to eliminate duplicates Z: 10 23.089 2.385 0.386 0.868 1.000 0.667 CB 1.702 10 residues pruned to eliminate duplicates Z: 24 32.775 1.996 0.911 0.905 0.913 0.348 CB 1.396 24 residues pruned to eliminate duplicates Z: 6 20.420 2.335 0.849 0.845 1.000 0.800 CA 1.574 6 residues pruned to eliminate duplicates Z: 30 36.539 1.931 0.655 0.925 1.000 0.862 CA 1.490 26 residues pruned to eliminate duplicates Z: 12 15.034 2.077 0.236 0.849 1.000 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 7 14.575 2.113 0.937 0.845 0.833 0.833 CA 1.297 Z: 18 23.038 1.989 0.748 0.710 0.941 0.588 CB 1.411 19 residues pruned to eliminate duplicates Z: 9 20.643 2.020 0.836 0.836 0.875 0.500 N 1.683 9 residues pruned to eliminate duplicates Z: 8 9.469 2.045 0.345 0.814 1.000 0.571 CA 0.990 8 residues pruned to eliminate duplicates Z: 9 24.266 2.107 0.881 0.919 1.000 1.000 CB 1.525 9 residues pruned to eliminate duplicates Z: 12 12.663 1.915 0.581 0.830 1.000 0.636 CB 0.948 Z: 12 14.709 1.835 0.370 0.868 1.000 0.818 CA 1.289 12 residues pruned to eliminate duplicates Z: 15 21.798 2.079 0.652 0.847 0.929 0.714 CB 1.356 15 residues pruned to eliminate duplicates Z: 22 34.229 2.087 0.676 0.881 1.000 0.905 CB 1.546 23 residues pruned to eliminate duplicates Z: 30 55.252 2.299 0.885 0.937 0.966 0.828 CB 1.706 30 residues pruned to eliminate duplicates Z: 17 27.058 2.083 0.771 0.792 0.875 0.688 CA 1.622 17 residues pruned to eliminate duplicates Z: 9 19.384 2.065 0.463 0.866 1.000 0.875 CB 1.661 9 residues pruned to eliminate duplicates Z: 11 19.696 2.171 0.546 0.838 1.000 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 17 19.115 1.792 0.317 0.877 1.000 0.688 CB 1.471 17 residues pruned to eliminate duplicates Z: 30 42.560 2.320 0.414 0.930 0.966 0.862 CA 1.745 31 residues pruned to eliminate duplicates Z: 27 34.589 2.008 0.827 0.878 0.885 0.654 CB 1.516 27 residues pruned to eliminate duplicates Z: 9 19.307 2.138 0.523 0.867 1.000 1.000 CA 1.533 9 residues pruned to eliminate duplicates Z: 12 23.570 2.104 0.563 0.903 1.000 0.818 CA 1.541 12 residues pruned to eliminate duplicates Z: 14 21.140 1.930 0.372 0.916 1.000 1.000 CA 1.564 14 residues pruned to eliminate duplicates Z: 10 16.964 1.843 0.454 0.800 1.000 0.889 N 1.623 10 residues pruned to eliminate duplicates Z: 14 22.697 1.909 0.553 0.865 1.000 0.923 CB 1.556 14 residues pruned to eliminate duplicates Z: 16 22.247 1.875 0.587 0.872 1.000 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 7 6.793 2.010 0.058 0.596 0.833 0.667 CA 1.427 7 residues pruned to eliminate duplicates Z: 29 49.304 2.177 0.853 0.925 1.000 0.714 CA 1.621 29 residues pruned to eliminate duplicates Z: 23 29.287 1.942 0.835 0.900 0.909 0.364 CB 1.377 Z: 6 5.141 1.943 0.667 0.607 0.800 0.800 CB 0.802 Z: 17 14.201 1.886 0.366 0.663 0.812 0.562 CB 1.457 20 residues pruned to eliminate duplicates Z: 12 32.226 2.383 0.876 0.840 1.000 0.818 CA 1.623 12 residues pruned to eliminate duplicates Z: 6 8.394 2.036 0.191 0.861 1.000 0.800 CA 1.137 6 residues pruned to eliminate duplicates Z: 10 17.690 1.817 0.649 0.908 1.000 0.778 CB 1.397 Z: 30 51.566 2.319 0.811 0.937 0.966 0.586 CB 1.643 30 residues pruned to eliminate duplicates Z: 34 24.704 1.987 0.715 0.630 0.909 0.515 CB 1.229 34 residues pruned to eliminate duplicates Z: 8 27.748 2.318 0.817 0.915 1.000 0.857 CB 1.760 8 residues pruned to eliminate duplicates Z: 29 39.622 2.164 0.654 0.929 0.964 0.857 CA 1.519 29 residues pruned to eliminate duplicates Z: 28 27.386 1.959 0.399 0.885 0.963 0.852 CA 1.442 28 residues pruned to eliminate duplicates Z: 15 25.695 2.141 0.465 0.900 0.929 0.786 CB 1.685 15 residues pruned to eliminate duplicates Z: 17 22.487 1.809 0.566 0.878 1.000 0.812 CA 1.441 Z: 15 17.619 1.754 0.678 0.879 1.000 0.714 CB 1.161 15 residues pruned to eliminate duplicates Z: 11 26.798 2.117 0.813 0.834 1.000 0.800 CB 1.656 11 residues pruned to eliminate duplicates Z: 16 26.156 2.097 0.644 0.913 0.867 0.533 CB 1.601 16 residues pruned to eliminate duplicates Z: 8 24.478 2.184 0.850 0.912 1.000 1.000 CB 1.622 8 residues pruned to eliminate duplicates Z: 19 24.073 2.033 0.415 0.790 0.944 0.722 CA 1.620 19 residues pruned to eliminate duplicates Z: 12 35.350 2.412 1.253 0.921 0.818 0.636 CA 1.688 13 residues pruned to eliminate duplicates Z: 17 34.139 1.974 1.006 0.880 1.000 0.812 CA 1.562 18 residues pruned to eliminate duplicates Z: 30 54.442 2.314 0.811 0.938 1.000 0.897 CB 1.678 30 residues pruned to eliminate duplicates Z: 17 25.267 2.032 0.784 0.792 0.938 0.625 CA 1.439 17 residues pruned to eliminate duplicates Z: 13 28.686 2.051 1.344 0.888 0.917 0.500 CB 1.354 13 residues pruned to eliminate duplicates Z: 14 26.587 1.936 0.918 0.827 1.000 0.692 CA 1.496 14 residues pruned to eliminate duplicates Z: 13 17.857 2.018 0.265 0.878 0.917 0.750 CA 1.599 13 residues pruned to eliminate duplicates Z: 27 20.164 2.059 0.664 0.540 0.846 0.500 CB 1.311 18 residues pruned to eliminate duplicates Z: 23 25.902 2.000 0.382 0.897 0.955 0.864 CB 1.498 23 residues pruned to eliminate duplicates Z: 9 15.943 1.968 0.560 0.858 1.000 0.750 CA 1.352 9 residues pruned to eliminate duplicates Z: 10 9.251 2.025 0.434 0.890 0.889 0.778 CB 0.859 10 residues pruned to eliminate duplicates Z: 23 44.563 2.149 1.000 0.913 1.000 0.727 CB 1.565 23 residues pruned to eliminate duplicates Z: 16 24.495 1.944 0.699 0.921 1.000 0.800 CB 1.348 16 residues pruned to eliminate duplicates Z: 16 22.479 1.963 0.400 0.946 1.000 0.733 CB 1.460 Z: 24 29.582 1.990 0.662 0.882 0.913 0.696 CB 1.477 24 residues pruned to eliminate duplicates Z: 8 5.402 1.682 0.526 0.644 0.714 0.571 CA 0.974 8 residues pruned to eliminate duplicates Z: 8 16.646 2.017 0.687 0.714 1.000 0.714 CB 1.522 Z: 37 30.087 2.013 0.542 0.778 0.917 0.667 CB 1.378 23 residues pruned to eliminate duplicates Z: 16 21.056 1.921 0.448 0.872 1.000 0.867 CA 1.425 17 residues pruned to eliminate duplicates Z: 11 18.597 2.270 0.335 0.884 1.000 0.900 CB 1.403 11 residues pruned to eliminate duplicates Z: 24 17.375 1.772 0.503 0.581 0.913 0.696 CB 1.379 Z: 31 44.454 2.266 0.585 0.940 0.967 0.833 CB 1.624 31 residues pruned to eliminate duplicates Z: 10 18.752 2.370 0.292 0.877 0.889 0.889 CB 1.668 10 residues pruned to eliminate duplicates Z: 22 34.977 2.104 0.689 0.903 0.952 0.571 CB 1.608 23 residues pruned to eliminate duplicates Z: 9 11.133 1.994 0.279 0.660 1.000 0.875 CB 1.330 10 residues pruned to eliminate duplicates Z: 23 28.429 1.938 0.564 0.929 0.955 0.727 CB 1.466 23 residues pruned to eliminate duplicates Z: 6 5.271 1.477 0.512 0.713 0.800 0.400 O 1.087 Z: 16 34.347 2.100 0.632 0.930 1.000 0.800 CA 1.810 16 residues pruned to eliminate duplicates Z: 11 10.881 1.898 0.056 0.866 1.000 0.800 CB 1.257 10 residues pruned to eliminate duplicates Z: 30 28.693 2.177 0.686 0.546 0.931 0.586 CB 1.490 30 residues pruned to eliminate duplicates Z: 14 20.898 1.881 0.378 0.884 1.000 0.769 CB 1.615 14 residues pruned to eliminate duplicates Z: 31 42.976 2.030 1.244 0.895 0.867 0.333 CB 1.424 31 residues pruned to eliminate duplicates Z: 9 16.091 1.938 0.520 0.779 1.000 0.750 CB 1.511 9 residues pruned to eliminate duplicates Z: 14 35.081 2.251 0.908 0.909 1.000 0.462 CB 1.608 14 residues pruned to eliminate duplicates Z: 28 39.672 2.064 0.853 0.913 0.926 0.593 CB 1.526 28 residues pruned to eliminate duplicates Z: 17 18.064 1.846 0.258 0.887 1.000 0.875 CA 1.402 17 residues pruned to eliminate duplicates Z: 12 20.307 2.091 0.671 0.841 0.818 0.727 CB 1.597 12 residues pruned to eliminate duplicates Z: 29 39.499 2.105 0.674 0.921 0.964 0.821 CA 1.546 29 residues pruned to eliminate duplicates Z: 30 25.331 2.063 0.503 0.553 0.897 0.517 CB 1.606 30 residues pruned to eliminate duplicates Z: 11 20.930 2.248 0.295 0.885 1.000 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 25 24.516 1.840 0.764 0.898 0.833 0.250 CB 1.324 25 residues pruned to eliminate duplicates Z: 29 32.871 1.933 0.864 0.896 1.000 0.643 CB 1.235 29 residues pruned to eliminate duplicates Z: 25 23.962 1.870 0.475 0.874 0.958 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 13 17.997 2.028 0.405 0.849 0.917 0.917 CB 1.475 13 residues pruned to eliminate duplicates Z: 24 38.583 2.046 0.989 0.907 0.913 0.652 CB 1.539 24 residues pruned to eliminate duplicates Z: 12 26.999 2.035 0.761 0.932 1.000 0.909 CB 1.587 12 residues pruned to eliminate duplicates Z: 10 20.211 2.062 0.551 0.879 1.000 0.778 CB 1.528 Z: 12 12.701 1.866 0.208 0.797 1.000 0.727 CB 1.310 13 residues pruned to eliminate duplicates Z: 55 27.870 2.120 0.497 0.471 0.889 0.481 CB 1.384 21 residues pruned to eliminate duplicates Z: 6 3.814 1.855 0.178 0.354 0.600 0.400 CA 1.524 6 residues pruned to eliminate duplicates Z: 22 35.390 2.034 0.691 0.927 1.000 0.857 CB 1.573 22 residues pruned to eliminate duplicates Z: 9 3.710 1.807 0.210 0.485 0.625 0.500 CB 0.974 Z: 12 33.895 2.256 1.382 0.841 0.909 0.727 CA 1.560 12 residues pruned to eliminate duplicates Z: 28 35.585 2.007 0.569 0.930 0.963 0.667 CA 1.579 28 residues pruned to eliminate duplicates Z: 27 34.207 2.066 0.617 0.815 0.923 0.769 CA 1.654 30 residues pruned to eliminate duplicates Z: 9 8.193 1.797 0.455 0.546 0.750 0.500 CB 1.411 9 residues pruned to eliminate duplicates Z: 16 21.676 1.862 0.542 0.863 1.000 0.667 CA 1.430 16 residues pruned to eliminate duplicates Z: 24 27.393 1.928 0.495 0.893 0.957 0.565 CB 1.488 24 residues pruned to eliminate duplicates Z: 9 8.306 1.538 0.497 0.824 1.000 0.750 CA 0.964 9 residues pruned to eliminate duplicates Z: 10 16.967 1.745 0.874 0.769 1.000 0.889 CB 1.363 10 residues pruned to eliminate duplicates Z: 23 45.336 2.118 1.215 0.912 1.000 0.636 CB 1.459 23 residues pruned to eliminate duplicates Z: 10 21.280 2.087 0.559 0.891 1.000 0.667 CA 1.568 10 residues pruned to eliminate duplicates Z: 17 23.466 1.900 0.755 0.868 0.938 0.625 CB 1.372 17 residues pruned to eliminate duplicates Z: 16 19.185 1.822 0.311 0.848 1.000 0.867 CB 1.539 16 residues pruned to eliminate duplicates Z: 20 19.755 2.340 0.561 0.470 0.842 0.368 CB 1.519 20 residues pruned to eliminate duplicates Z: 11 18.826 2.133 0.535 0.809 0.900 0.800 CB 1.543 11 residues pruned to eliminate duplicates Z: 17 24.773 2.008 0.773 0.820 0.938 0.625 CA 1.406 17 residues pruned to eliminate duplicates Z: 27 35.687 2.170 0.528 0.912 0.962 0.885 CA 1.555 27 residues pruned to eliminate duplicates Z: 16 25.562 2.100 0.443 0.875 1.000 0.933 CA 1.584 16 residues pruned to eliminate duplicates Z: 29 34.945 1.977 0.529 0.936 0.929 0.643 CA 1.638 29 residues pruned to eliminate duplicates Z: 11 17.337 2.220 0.283 0.860 1.000 0.900 CB 1.415 11 residues pruned to eliminate duplicates Z: 15 23.382 1.878 0.510 0.872 1.000 0.857 N 1.606 15 residues pruned to eliminate duplicates Z: 15 14.409 1.797 0.616 0.462 0.929 0.429 CB 1.484 Z: 22 29.492 2.028 0.446 0.922 1.000 0.714 CB 1.543 22 residues pruned to eliminate duplicates Z: 11 15.067 2.021 0.529 0.917 1.000 0.800 CB 1.088 12 residues pruned to eliminate duplicates Z: 7 10.811 1.935 0.388 0.716 1.000 0.667 CB 1.352 7 residues pruned to eliminate duplicates Z: 17 21.288 1.826 0.587 0.835 1.000 0.500 CB 1.376 17 residues pruned to eliminate duplicates Z: 12 19.340 1.955 0.509 0.902 1.000 0.818 CB 1.410 13 residues pruned to eliminate duplicates Z: 12 12.863 1.708 0.236 0.915 1.000 0.818 CB 1.299 Z: 22 31.565 2.068 0.532 0.919 0.952 0.857 CA 1.608 22 residues pruned to eliminate duplicates Z: 14 18.481 1.880 0.418 0.813 0.923 0.692 CA 1.587 14 residues pruned to eliminate duplicates Z: 16 22.321 1.975 0.339 0.918 1.000 0.800 CB 1.536 16 residues pruned to eliminate duplicates Z: 29 35.577 1.939 0.892 0.895 0.929 0.750 CB 1.414 29 residues pruned to eliminate duplicates Z: 14 13.697 1.905 0.265 0.853 0.769 0.615 CA 1.514 14 residues pruned to eliminate duplicates Z: 80 36.754 2.112 0.766 0.391 0.873 0.430 CB 1.425 82 residues pruned to eliminate duplicates Z: 8 23.290 2.248 0.677 0.897 1.000 0.857 CB 1.671 8 residues pruned to eliminate duplicates Z: 25 31.356 1.966 0.776 0.897 0.875 0.458 CB 1.500 25 residues pruned to eliminate duplicates Z: 18 13.990 1.979 0.535 0.542 0.882 0.529 CB 1.216 18 residues pruned to eliminate duplicates Z: 13 20.943 1.894 0.874 0.835 0.833 0.667 CB 1.531 13 residues pruned to eliminate duplicates Z: 7 8.428 1.834 0.213 0.781 0.833 0.500 CA 1.449 7 residues pruned to eliminate duplicates Z: 13 24.243 2.105 0.688 0.883 0.917 0.833 CB 1.554 13 residues pruned to eliminate duplicates Z: 17 26.895 2.097 0.566 0.837 1.000 0.812 CA 1.532 17 residues pruned to eliminate duplicates Z: 8 16.269 2.126 0.536 0.880 0.857 0.857 CA 1.592 Z: 8 13.212 2.146 0.074 0.836 1.000 0.571 CB 1.622 8 residues pruned to eliminate duplicates Z: 9 18.235 2.115 0.824 0.872 0.875 0.625 CB 1.392 9 residues pruned to eliminate duplicates Z: 15 21.617 1.995 0.367 0.891 1.000 0.714 CA 1.522 15 residues pruned to eliminate duplicates Z: 14 20.357 1.928 0.318 0.915 1.000 0.923 CA 1.569 14 residues pruned to eliminate duplicates Z: 13 20.403 1.986 0.554 0.829 0.917 0.917 CA 1.567 13 residues pruned to eliminate duplicates Z: 23 24.916 1.952 0.426 0.921 0.955 0.682 CB 1.406 23 residues pruned to eliminate duplicates Z: 11 11.401 1.864 0.505 0.757 0.900 0.600 CB 1.137 11 residues pruned to eliminate duplicates Z: 9 23.687 2.063 0.691 0.835 1.000 0.750 CB 1.798 9 residues pruned to eliminate duplicates Z: 14 26.395 2.090 0.533 0.925 1.000 0.769 CB 1.604 16 residues pruned to eliminate duplicates Z: 8 14.130 1.782 0.714 0.877 1.000 0.857 CB 1.269 4 residues pruned to eliminate duplicates Z: 15 17.290 1.899 0.556 0.834 0.857 0.571 CB 1.368 15 residues pruned to eliminate duplicates Z: 23 30.543 1.972 0.727 0.919 0.955 0.636 CB 1.411 23 residues pruned to eliminate duplicates Z: 18 12.539 1.712 0.441 0.902 1.000 0.824 CB 0.880 18 residues pruned to eliminate duplicates Z: 9 13.156 2.090 0.045 0.829 1.000 1.000 CA 1.603 9 residues pruned to eliminate duplicates Z: 29 40.212 2.127 0.665 0.911 1.000 0.821 CA 1.521 29 residues pruned to eliminate duplicates Z: 14 33.879 2.125 1.101 0.873 1.000 0.462 CB 1.532 14 residues pruned to eliminate duplicates Z: 16 27.188 2.130 0.511 0.907 0.933 0.800 CA 1.661 16 residues pruned to eliminate duplicates Z: 6 6.157 1.577 0.228 0.732 1.000 0.600 CB 1.155 Z: 54 28.271 2.110 0.676 0.503 0.868 0.566 CB 1.262 54 residues pruned to eliminate duplicates Z: 7 5.153 1.647 0.771 0.587 0.667 0.667 CB 0.996 Z: 29 40.235 1.990 0.854 0.905 1.000 0.607 CB 1.468 29 residues pruned to eliminate duplicates Z: 8 5.583 2.105 0.109 0.311 0.714 0.429 CB 1.560 4 residues pruned to eliminate duplicates Z: 14 12.747 1.929 0.347 0.576 0.923 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 13 23.990 2.002 0.659 0.883 1.000 0.667 CA 1.507 13 residues pruned to eliminate duplicates Z: 6 7.810 1.715 0.319 0.885 1.000 1.000 CB 1.115 6 residues pruned to eliminate duplicates Z: 11 22.617 2.146 0.490 0.853 1.000 0.400 CA 1.653 11 residues pruned to eliminate duplicates Z: 28 29.634 2.004 0.244 0.912 1.000 0.704 CB 1.621 28 residues pruned to eliminate duplicates Z: 40 24.600 2.113 0.711 0.489 0.872 0.667 CB 1.263 40 residues pruned to eliminate duplicates Z: 25 26.344 1.857 0.631 0.878 0.917 0.583 CB 1.405 25 residues pruned to eliminate duplicates Z: 11 18.632 1.787 0.673 0.831 1.000 0.600 CB 1.480 11 residues pruned to eliminate duplicates Z: 12 20.089 1.914 0.878 0.913 0.909 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 15 20.726 1.929 0.590 0.880 0.929 0.714 CB 1.410 14 residues pruned to eliminate duplicates Z: 15 23.332 2.223 0.318 0.887 0.929 0.857 CA 1.654 15 residues pruned to eliminate duplicates Z: 12 27.810 2.366 0.346 0.935 1.000 1.000 CA 1.835 12 residues pruned to eliminate duplicates Z: 11 17.452 2.203 0.349 0.839 1.000 0.600 CB 1.387 11 residues pruned to eliminate duplicates Z: 11 12.364 1.821 0.459 0.763 0.900 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 12 29.021 2.410 0.496 0.928 1.000 0.909 CA 1.700 12 residues pruned to eliminate duplicates Z: 23 26.358 1.932 0.509 0.918 0.955 0.773 CB 1.424 23 residues pruned to eliminate duplicates Z: 63 28.875 1.950 0.445 0.587 0.919 0.677 CB 1.303 47 residues pruned to eliminate duplicates Z: 14 16.226 1.879 0.230 0.864 0.923 0.769 CB 1.547 14 residues pruned to eliminate duplicates Z: 24 33.672 2.050 0.969 0.894 0.870 0.609 CA 1.435 24 residues pruned to eliminate duplicates Z: 11 5.213 1.666 0.152 0.561 0.700 0.400 CB 1.157 Z: 32 46.564 2.046 1.089 0.908 0.935 0.548 CB 1.486 31 residues pruned to eliminate duplicates Z: 14 22.103 1.942 0.530 0.887 0.923 0.769 CA 1.611 14 residues pruned to eliminate duplicates Z: 14 26.546 2.224 0.508 0.864 0.923 0.692 CA 1.744 14 residues pruned to eliminate duplicates Z: 12 25.770 1.962 0.782 0.909 1.000 0.818 CA 1.577 12 residues pruned to eliminate duplicates Z: 15 19.196 2.028 0.593 0.782 0.929 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 15 20.657 1.833 0.762 0.819 0.929 0.500 CB 1.395 15 residues pruned to eliminate duplicates Z: 30 24.135 2.005 0.647 0.784 0.862 0.517 CB 1.226 17 residues pruned to eliminate duplicates Z: 28 35.107 1.980 0.780 0.906 0.926 0.630 CB 1.473 28 residues pruned to eliminate duplicates Z: 21 31.093 2.112 0.749 0.735 1.000 0.650 CB 1.524 21 residues pruned to eliminate duplicates Z: 17 23.809 2.014 0.594 0.814 0.938 0.750 CA 1.506 17 residues pruned to eliminate duplicates Z: 15 21.942 2.036 0.398 0.841 1.000 0.786 CA 1.536 15 residues pruned to eliminate duplicates Z: 6 4.905 1.806 0.030 0.550 0.800 0.600 CA 1.403 6 residues pruned to eliminate duplicates Z: 12 23.698 2.097 0.397 0.941 1.000 0.636 CB 1.692 12 residues pruned to eliminate duplicates Z: 13 22.644 2.103 0.409 0.909 1.000 0.667 CB 1.566 13 residues pruned to eliminate duplicates Z: 6 15.257 2.024 1.001 0.795 1.000 1.000 CA 1.300 6 residues pruned to eliminate duplicates Z: 10 15.768 1.961 0.669 0.765 0.889 0.444 CA 1.429 10 residues pruned to eliminate duplicates Z: 17 18.274 1.843 0.351 0.856 1.000 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 10 11.103 1.895 0.849 0.514 0.778 0.667 CB 1.339 Z: 13 41.422 2.267 1.249 0.923 1.000 0.333 CB 1.649 13 residues pruned to eliminate duplicates Z: 12 20.096 2.092 0.537 0.843 0.909 0.636 CB 1.543 13 residues pruned to eliminate duplicates Z: 7 7.081 1.705 0.165 0.762 0.833 0.667 O 1.384 7 residues pruned to eliminate duplicates Z: 27 19.978 2.060 0.570 0.521 0.885 0.462 CB 1.342 27 residues pruned to eliminate duplicates Z: 16 22.090 1.977 0.543 0.944 0.867 0.867 CB 1.494 16 residues pruned to eliminate duplicates Z: 29 32.193 1.998 0.368 0.917 0.964 0.786 CA 1.629 29 residues pruned to eliminate duplicates Z: 23 31.956 1.946 0.855 0.913 0.955 0.409 CB 1.399 23 residues pruned to eliminate duplicates Z: 6 9.237 2.071 0.564 0.844 0.800 0.800 CA 1.186 6 residues pruned to eliminate duplicates Z: 13 11.303 1.832 0.221 0.840 0.917 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 12 23.965 1.983 0.722 0.901 1.000 0.818 CB 1.511 11 residues pruned to eliminate duplicates Z: 13 25.039 2.025 0.794 0.881 1.000 0.583 CB 1.440 13 residues pruned to eliminate duplicates Z: 15 29.319 2.213 0.810 0.814 0.929 0.643 CA 1.603 15 residues pruned to eliminate duplicates Z: 13 18.303 1.914 0.261 0.877 1.000 0.917 N 1.591 13 residues pruned to eliminate duplicates Z: 16 8.515 1.725 0.337 0.501 0.800 0.533 CB 1.191 16 residues pruned to eliminate duplicates Z: 9 8.600 1.675 0.654 0.661 0.750 0.500 CB 1.260 9 residues pruned to eliminate duplicates Z: 6 8.857 2.180 0.423 0.529 0.800 0.600 CB 1.550 6 residues pruned to eliminate duplicates Z: 28 39.345 2.185 0.629 0.941 1.000 0.926 CA 1.476 28 residues pruned to eliminate duplicates Z: 19 25.579 1.976 0.631 0.811 0.944 0.778 CB 1.511 19 residues pruned to eliminate duplicates Z: 16 18.262 1.933 0.159 0.896 1.000 0.867 CB 1.508 16 residues pruned to eliminate duplicates Z: 8 11.406 2.075 0.284 0.843 0.857 0.714 CB 1.406 8 residues pruned to eliminate duplicates Z: 21 20.916 1.779 0.582 0.834 1.000 0.600 CB 1.246 21 residues pruned to eliminate duplicates Z: 11 12.838 1.655 0.535 0.792 1.000 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 16 32.271 2.142 0.674 0.901 1.000 0.733 CA 1.659 16 residues pruned to eliminate duplicates Z: 32 42.578 2.061 0.700 0.901 1.000 0.774 CB 1.557 31 residues pruned to eliminate duplicates Z: 15 19.200 1.950 0.185 0.861 1.000 0.714 CB 1.632 15 residues pruned to eliminate duplicates Z: 16 25.112 2.128 0.510 0.832 1.000 0.800 CA 1.516 16 residues pruned to eliminate duplicates Z: 9 13.598 2.005 0.475 0.882 0.875 0.875 CA 1.344 9 residues pruned to eliminate duplicates Z: 14 23.037 1.999 0.515 0.913 1.000 0.769 CB 1.494 14 residues pruned to eliminate duplicates Z: 10 12.353 1.959 0.299 0.739 1.000 0.556 CB 1.305 10 residues pruned to eliminate duplicates Z: 16 16.675 1.875 0.321 0.836 0.933 0.600 CA 1.394 16 residues pruned to eliminate duplicates Z: 12 23.598 1.951 0.709 0.905 1.000 0.818 CB 1.519 12 residues pruned to eliminate duplicates Z: 44 30.239 1.935 0.780 0.649 0.860 0.302 CB 1.353 43 residues pruned to eliminate duplicates Z: 12 21.958 1.984 0.701 0.864 0.909 0.636 CA 1.582 12 residues pruned to eliminate duplicates Z: 31 19.447 1.938 0.436 0.685 0.867 0.433 CB 1.242 28 residues pruned to eliminate duplicates Z: 16 23.712 1.980 0.544 0.895 0.933 0.600 CA 1.538 16 residues pruned to eliminate duplicates Z: 9 11.185 2.095 0.322 0.754 1.000 1.000 CB 1.139 9 residues pruned to eliminate duplicates Z: 9 13.093 2.069 0.236 0.846 1.000 0.875 CA 1.345 9 residues pruned to eliminate duplicates Z: 16 21.190 1.846 0.580 0.841 1.000 0.600 CA 1.399 16 residues pruned to eliminate duplicates Z: 10 14.264 1.915 0.294 0.829 1.000 0.889 CA 1.444 10 residues pruned to eliminate duplicates Z: 12 19.261 1.909 0.756 0.831 1.000 0.455 CB 1.301 12 residues pruned to eliminate duplicates Z: 6 4.900 1.951 0.650 0.605 1.000 0.600 CB 0.616 Z: 6 6.317 1.889 -0.131 0.590 1.000 0.800 CB 1.579 6 residues pruned to eliminate duplicates Z: 15 16.017 1.803 0.390 0.906 1.000 0.857 CB 1.215 15 residues pruned to eliminate duplicates Z: 23 17.292 2.149 0.712 0.388 0.909 0.591 CB 1.242 23 residues pruned to eliminate duplicates Z: 18 26.647 1.996 0.805 0.864 0.882 0.412 CB 1.491 18 residues pruned to eliminate duplicates Z: 12 20.163 2.055 0.423 0.892 1.000 0.909 CA 1.494 12 residues pruned to eliminate duplicates Z: 10 13.940 1.822 0.343 0.834 1.000 0.889 CB 1.425 10 residues pruned to eliminate duplicates Z: 8 18.965 2.260 0.394 0.887 1.000 0.857 CB 1.640 8 residues pruned to eliminate duplicates Z: 6 5.611 1.779 0.006 0.739 0.800 0.800 CB 1.414 7 residues pruned to eliminate duplicates Z: 11 12.970 1.959 0.556 0.482 0.900 0.900 CB 1.523 11 residues pruned to eliminate duplicates Z: 63 27.729 1.915 0.485 0.527 0.903 0.565 CB 1.335 63 residues pruned to eliminate duplicates Z: 30 24.425 1.858 0.285 0.874 0.931 0.828 CA 1.484 30 residues pruned to eliminate duplicates Z: 12 20.024 1.930 0.606 0.925 1.000 1.000 CB 1.367 12 residues pruned to eliminate duplicates Z: 9 4.828 1.478 0.872 0.242 0.750 0.375 CB 1.108 Z: 28 28.647 2.052 0.653 0.648 0.963 0.630 CB 1.471 21 residues pruned to eliminate duplicates Z: 6 5.004 1.528 0.972 0.798 0.800 0.600 CB 0.715 Z: 24 27.273 1.956 0.490 0.891 0.957 0.739 CB 1.465 24 residues pruned to eliminate duplicates Z: 28 41.813 2.143 0.916 0.923 1.000 0.519 CB 1.377 28 residues pruned to eliminate duplicates Z: 14 22.620 2.037 0.605 0.892 0.923 0.769 CB 1.493 14 residues pruned to eliminate duplicates Z: 21 8.686 1.966 0.409 0.305 0.750 0.600 CB 1.161 21 residues pruned to eliminate duplicates Z: 13 20.465 1.933 0.811 0.861 0.833 0.583 CB 1.488 13 residues pruned to eliminate duplicates Z: 8 4.046 2.016 0.098 0.356 0.714 0.286 CB 1.130 8 residues pruned to eliminate duplicates Z: 7 6.238 1.751 0.719 0.341 0.833 0.333 CB 1.207 Z: 6 10.614 2.120 0.763 0.670 1.000 0.400 CB 1.086 6 residues pruned to eliminate duplicates Z: 31 39.269 2.229 0.435 0.909 1.000 0.867 CA 1.591 31 residues pruned to eliminate duplicates Z: 12 12.622 1.913 0.197 0.817 1.000 0.545 CB 1.262 12 residues pruned to eliminate duplicates Z: 30 39.052 2.019 0.667 0.876 1.000 0.483 CB 1.566 30 residues pruned to eliminate duplicates Z: 6 5.473 1.730 0.375 0.751 0.800 0.600 CA 1.028 6 residues pruned to eliminate duplicates Z: 15 22.715 2.133 0.376 0.891 0.929 0.714 CA 1.602 15 residues pruned to eliminate duplicates Z: 7 4.922 2.140 0.294 0.240 0.667 0.500 CB 1.470 7 residues pruned to eliminate duplicates Z: 29 37.478 1.995 0.482 0.925 1.000 0.964 CA 1.681 29 residues pruned to eliminate duplicates Z: 7 7.187 1.574 0.614 0.746 0.833 0.667 CA 1.113 7 residues pruned to eliminate duplicates Z: 46 28.822 2.072 0.819 0.503 0.867 0.356 CB 1.311 46 residues pruned to eliminate duplicates Z: 24 26.210 1.869 0.412 0.883 1.000 0.913 CB 1.498 24 residues pruned to eliminate duplicates Z: 81 49.266 2.239 0.652 0.543 0.900 0.637 CB 1.587 81 residues pruned to eliminate duplicates Z: 40 33.945 2.042 0.612 0.705 0.974 0.615 CB 1.407 41 residues pruned to eliminate duplicates Z: 16 16.275 1.787 0.552 0.887 0.933 0.800 CB 1.170 16 residues pruned to eliminate duplicates Z: 14 16.817 1.822 0.522 0.840 0.923 0.692 CB 1.360 13 residues pruned to eliminate duplicates Z: 37 25.458 2.029 0.534 0.556 0.944 0.694 CB 1.367 37 residues pruned to eliminate duplicates Z: 11 11.419 1.816 0.445 0.806 0.900 0.500 CB 1.171 10 residues pruned to eliminate duplicates Z: 30 41.268 1.939 0.751 0.912 0.966 0.621 CA 1.655 30 residues pruned to eliminate duplicates Z: 19 15.542 1.711 0.349 0.844 0.944 0.889 CB 1.251 19 residues pruned to eliminate duplicates Z: 31 30.599 2.073 0.865 0.618 0.967 0.633 CB 1.337 31 residues pruned to eliminate duplicates Z: 28 35.170 1.969 0.669 0.900 0.963 0.593 CB 1.527 28 residues pruned to eliminate duplicates Z: 13 32.962 2.341 0.572 0.916 1.000 0.667 CA 1.825 13 residues pruned to eliminate duplicates Z: 12 23.023 1.923 0.913 0.918 1.000 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 18 10.354 1.661 0.604 0.411 0.882 0.588 CB 1.172 6 residues pruned to eliminate duplicates Z: 16 7.609 1.893 0.449 0.443 0.867 0.667 CB 0.876 14 residues pruned to eliminate duplicates Z: 17 26.939 2.040 0.548 0.865 1.000 0.812 CA 1.562 16 residues pruned to eliminate duplicates Z: 16 10.271 1.931 0.553 0.390 0.800 0.733 CB 1.242 16 residues pruned to eliminate duplicates Z: 8 21.953 2.255 0.803 0.890 1.000 0.857 CB 1.468 8 residues pruned to eliminate duplicates Z: 13 17.034 1.952 0.376 0.891 0.917 0.750 CB 1.436 13 residues pruned to eliminate duplicates Z: 7 5.012 1.555 0.361 0.356 0.833 0.333 O 1.356 7 residues pruned to eliminate duplicates Z: 10 10.871 2.147 0.611 0.391 0.889 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 13 10.824 1.705 0.510 0.841 0.917 0.750 CB 0.987 13 residues pruned to eliminate duplicates Z: 11 6.260 1.728 0.531 0.466 1.000 0.800 CB 0.775 Z: 14 25.277 1.933 0.752 0.903 1.000 0.692 CA 1.475 14 residues pruned to eliminate duplicates Z: 12 17.413 1.924 0.446 0.904 1.000 0.818 CB 1.344 12 residues pruned to eliminate duplicates Z: 11 12.788 1.851 0.289 0.843 1.000 0.800 CB 1.262 11 residues pruned to eliminate duplicates Z: 7 6.919 1.852 0.001 0.765 1.000 1.000 CA 1.205 Z: 19 18.069 1.667 0.399 0.917 1.000 0.722 CB 1.289 Z: 14 18.227 1.868 0.523 0.830 1.000 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 19 19.013 2.066 0.819 0.558 0.778 0.667 CB 1.450 19 residues pruned to eliminate duplicates Z: 16 30.630 2.107 0.642 0.870 1.000 0.733 CA 1.669 16 residues pruned to eliminate duplicates Z: 21 22.386 1.908 0.217 0.911 0.950 0.900 CB 1.608 21 residues pruned to eliminate duplicates Z: 31 28.475 2.007 0.537 0.643 1.000 0.733 CB 1.475 25 residues pruned to eliminate duplicates Z: 13 25.138 1.962 0.727 0.889 1.000 0.750 N 1.542 13 residues pruned to eliminate duplicates Z: 29 38.569 1.998 0.833 0.926 0.929 0.429 CB 1.504 29 residues pruned to eliminate duplicates Z: 20 22.019 1.853 0.466 0.897 0.947 0.789 CB 1.405 20 residues pruned to eliminate duplicates Z: 29 42.945 2.037 0.748 0.929 1.000 0.500 CB 1.595 28 residues pruned to eliminate duplicates 6 0.744 1.718 -0.115 0.380 0.600 0.400 CB 0.414 ? Z: 12 3.906 1.276 0.375 0.432 0.727 0.455 CB 0.990 Z: 11 32.096 2.161 1.522 0.912 0.900 0.600 CA 1.465 12 residues pruned to eliminate duplicates Z: 22 38.337 2.124 0.815 0.904 1.000 0.905 CA 1.545 22 residues pruned to eliminate duplicates Z: 23 25.920 1.961 0.382 0.858 1.000 0.773 CB 1.502 23 residues pruned to eliminate duplicates Z: 14 21.850 2.006 0.343 0.911 1.000 0.846 CB 1.594 14 residues pruned to eliminate duplicates Z: 24 29.447 1.950 0.564 0.872 0.957 0.913 CB 1.533 24 residues pruned to eliminate duplicates Z: 14 15.490 1.796 0.457 0.715 1.000 0.769 CB 1.351 12 residues pruned to eliminate duplicates Z: 17 25.864 2.124 0.547 0.825 0.938 0.812 CA 1.583 17 residues pruned to eliminate duplicates Z: 17 18.729 1.812 0.314 0.875 1.000 0.750 CA 1.429 17 residues pruned to eliminate duplicates Z: 9 12.840 2.003 0.281 0.739 1.000 0.375 CB 1.428 9 residues pruned to eliminate duplicates Z: 20 21.529 2.006 0.381 0.748 0.947 0.579 CB 1.508 20 residues pruned to eliminate duplicates Z: 8 6.978 1.917 0.147 0.568 0.857 0.714 CB 1.311 8 residues pruned to eliminate duplicates Z: 24 27.715 1.952 0.749 0.873 0.870 0.522 CB 1.417 24 residues pruned to eliminate duplicates 6 1.477 1.862 0.193 0.434 0.600 0.600 CB 0.531 ? Z: 15 16.350 1.836 0.401 0.817 0.929 0.643 CB 1.390 15 residues pruned to eliminate duplicates Z: 11 18.064 2.209 0.344 0.864 1.000 0.800 CB 1.411 11 residues pruned to eliminate duplicates Z: 84 48.928 2.227 0.679 0.540 0.904 0.590 CB 1.528 84 residues pruned to eliminate duplicates Z: 47 28.411 2.073 0.786 0.505 0.848 0.457 CB 1.328 47 residues pruned to eliminate duplicates Z: 29 23.472 1.998 0.496 0.585 0.893 0.643 CB 1.531 29 residues pruned to eliminate duplicates Z: 15 17.356 1.961 0.425 0.799 0.929 0.714 CB 1.376 15 residues pruned to eliminate duplicates Z: 9 14.105 1.822 0.331 0.865 1.000 0.875 O 1.507 9 residues pruned to eliminate duplicates Z: 28 39.450 2.007 0.932 0.912 0.963 0.630 CB 1.440 30 residues pruned to eliminate duplicates Z: 14 11.052 1.947 0.603 0.481 0.769 0.462 CB 1.302 14 residues pruned to eliminate duplicates Z: 7 7.755 1.797 0.294 0.589 0.833 0.667 N 1.502 7 residues pruned to eliminate duplicates Z: 16 25.993 1.997 0.676 0.892 0.933 0.600 CB 1.544 16 residues pruned to eliminate duplicates Z: 12 18.284 2.006 0.503 0.857 0.909 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 25 30.732 1.966 0.693 0.922 0.958 0.875 CB 1.384 25 residues pruned to eliminate duplicates Z: 14 28.800 1.931 0.833 0.910 1.000 0.769 CA 1.601 14 residues pruned to eliminate duplicates Z: 8 6.706 1.768 0.090 0.648 1.000 0.571 CB 1.146 Z: 15 20.515 2.057 0.395 0.913 0.929 0.857 CB 1.457 15 residues pruned to eliminate duplicates Z: 15 26.518 2.067 0.483 0.914 1.000 0.857 CB 1.635 14 residues pruned to eliminate duplicates Z: 19 16.869 1.732 0.327 0.860 0.944 0.778 CB 1.347 19 residues pruned to eliminate duplicates Z: 15 26.220 2.020 0.599 0.943 1.000 0.929 CB 1.504 14 residues pruned to eliminate duplicates Z: 11 6.122 1.576 0.471 0.439 0.800 0.400 CB 1.112 11 residues pruned to eliminate duplicates Z: 13 26.825 2.005 1.000 0.822 1.000 0.583 CB 1.461 13 residues pruned to eliminate duplicates Z: 18 13.585 1.713 0.580 0.877 0.941 0.765 CB 0.940 18 residues pruned to eliminate duplicates Z: 15 22.615 2.139 0.593 0.866 0.786 0.357 CB 1.653 15 residues pruned to eliminate duplicates Z: 11 12.119 1.903 0.118 0.869 1.000 0.800 CB 1.316 11 residues pruned to eliminate duplicates Z: 8 9.650 1.621 0.783 0.878 1.000 0.714 CA 0.916 8 residues pruned to eliminate duplicates Z: 11 21.614 2.100 0.517 0.870 1.000 0.600 CB 1.566 11 residues pruned to eliminate duplicates Z: 11 17.931 1.993 0.395 0.875 1.000 0.800 CA 1.483 11 residues pruned to eliminate duplicates Z: 28 20.567 2.082 0.549 0.658 0.889 0.407 CB 1.192 28 residues pruned to eliminate duplicates Z: 21 33.732 2.235 0.789 0.895 0.950 0.650 CB 1.423 21 residues pruned to eliminate duplicates Z: 36 33.682 1.995 0.842 0.779 0.857 0.343 CB 1.413 38 residues pruned to eliminate duplicates Z: 6 2.204 1.484 0.351 0.532 0.800 0.600 CB 0.596 Z: 18 13.898 1.626 0.508 0.844 0.882 0.824 CB 1.159 18 residues pruned to eliminate duplicates Z: 9 13.477 1.924 0.362 0.910 0.875 0.625 CB 1.473 9 residues pruned to eliminate duplicates Z: 15 15.601 1.892 0.448 0.801 0.857 0.714 CB 1.365 15 residues pruned to eliminate duplicates Z: 31 25.795 2.020 0.585 0.607 0.900 0.600 CB 1.477 31 residues pruned to eliminate duplicates Z: 7 6.942 1.634 0.654 0.652 0.833 0.667 CA 1.092 7 residues pruned to eliminate duplicates Z: 11 18.869 2.057 0.669 0.898 1.000 0.500 CB 1.243 11 residues pruned to eliminate duplicates Z: 16 24.684 2.050 0.519 0.907 0.933 0.800 CA 1.559 16 residues pruned to eliminate duplicates Z: 12 16.635 2.078 0.409 0.844 1.000 0.818 CB 1.275 12 residues pruned to eliminate duplicates Z: 17 19.548 1.785 0.415 0.817 1.000 0.812 CA 1.468 17 residues pruned to eliminate duplicates Z: 15 12.199 1.751 0.499 0.862 0.857 0.714 CB 1.064 15 residues pruned to eliminate duplicates Z: 15 17.874 1.838 0.466 0.878 1.000 0.786 CA 1.287 16 residues pruned to eliminate duplicates Z: 30 42.110 2.241 0.496 0.922 0.966 0.690 CB 1.699 30 residues pruned to eliminate duplicates Z: 23 22.208 1.871 0.487 0.911 0.909 0.591 CB 1.326 23 residues pruned to eliminate duplicates Z: 26 18.344 2.069 0.495 0.524 0.880 0.640 CB 1.317 26 residues pruned to eliminate duplicates Z: 15 6.421 1.664 0.422 0.439 0.714 0.286 CB 1.080 36 residues pruned to eliminate duplicates Z: 14 23.093 2.020 0.649 0.889 0.923 0.769 CA 1.499 14 residues pruned to eliminate duplicates Z: 16 14.606 1.759 0.445 0.853 0.933 0.933 CB 1.174 16 residues pruned to eliminate duplicates Z: 16 11.538 1.520 0.486 0.788 1.000 0.733 CB 1.024 15 residues pruned to eliminate duplicates Z: 13 6.815 1.631 0.274 0.717 0.750 0.333 CB 1.038 13 residues pruned to eliminate duplicates Z: 6 4.525 1.948 0.327 0.300 0.800 0.800 CB 1.223 6 residues pruned to eliminate duplicates Z: 19 16.108 1.974 0.717 0.536 0.778 0.556 CB 1.390 19 residues pruned to eliminate duplicates Z: 23 24.077 1.827 0.381 0.913 1.000 0.955 CB 1.439 23 residues pruned to eliminate duplicates Z: 12 18.619 2.063 0.498 0.790 0.909 0.727 CA 1.549 12 residues pruned to eliminate duplicates Z: 7 13.263 2.123 0.775 0.854 0.833 0.833 CA 1.274 Z: 39 24.244 1.989 0.365 0.609 0.947 0.684 CB 1.380 39 residues pruned to eliminate duplicates Z: 14 16.144 1.815 0.247 0.881 1.000 0.846 O 1.433 14 residues pruned to eliminate duplicates Z: 17 14.476 1.650 0.420 0.852 0.938 0.750 O 1.219 17 residues pruned to eliminate duplicates Z: 7 2.391 1.804 -0.035 0.618 0.833 0.667 CB 0.602 Z: 12 14.709 1.870 0.489 0.877 0.818 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 15 19.911 1.783 0.500 0.877 1.000 0.929 CB 1.445 15 residues pruned to eliminate duplicates Z: 7 15.399 2.234 0.373 0.907 1.000 1.000 CB 1.457 7 residues pruned to eliminate duplicates Z: 10 14.935 2.107 0.479 0.665 0.889 0.667 CB 1.543 10 residues pruned to eliminate duplicates Z: 16 29.663 2.129 0.890 0.878 0.867 0.667 CA 1.593 16 residues pruned to eliminate duplicates Z: 42 21.027 1.925 0.457 0.526 0.902 0.512 CB 1.264 42 residues pruned to eliminate duplicates Z: 17 15.552 1.725 0.496 0.867 0.938 0.375 CB 1.176 17 residues pruned to eliminate duplicates Z: 11 20.549 1.935 0.570 0.907 1.000 0.800 CB 1.520 11 residues pruned to eliminate duplicates Z: 28 25.454 2.042 0.621 0.657 0.963 0.593 CB 1.328 28 residues pruned to eliminate duplicates Z: 7 18.201 2.164 0.576 0.865 1.000 0.667 CB 1.596 7 residues pruned to eliminate duplicates Z: 6 5.963 1.690 0.247 0.830 0.800 0.800 CB 1.190 6 residues pruned to eliminate duplicates Z: 22 21.765 1.958 0.680 0.867 0.857 0.619 CB 1.232 22 residues pruned to eliminate duplicates Z: 38 21.371 2.072 0.603 0.405 0.838 0.486 CB 1.395 38 residues pruned to eliminate duplicates Z: 14 24.055 1.962 0.476 0.920 1.000 1.000 CA 1.623 14 residues pruned to eliminate duplicates Z: 16 30.982 2.110 0.692 0.879 1.000 0.600 CA 1.625 16 residues pruned to eliminate duplicates Z: 11 10.638 1.952 0.087 0.801 0.900 0.800 CB 1.354 11 residues pruned to eliminate duplicates Z: 29 23.682 2.093 0.698 0.478 0.893 0.429 CB 1.442 29 residues pruned to eliminate duplicates Z: 22 22.535 1.756 0.521 0.939 1.000 0.810 CB 1.280 19 residues pruned to eliminate duplicates Z: 15 17.001 1.905 0.436 0.769 0.929 0.643 CB 1.410 15 residues pruned to eliminate duplicates Z: 31 39.502 2.155 0.769 0.911 0.967 0.333 CB 1.388 31 residues pruned to eliminate duplicates Z: 8 7.012 1.615 0.551 0.781 0.714 0.714 CA 1.156 6 residues pruned to eliminate duplicates Z: 29 51.901 2.162 0.869 0.940 1.000 0.857 CA 1.686 31 residues pruned to eliminate duplicates Z: 7 8.885 1.650 0.824 0.627 0.833 0.500 CA 1.283 7 residues pruned to eliminate duplicates Z: 24 27.727 1.982 0.415 0.909 0.957 0.913 CB 1.529 24 residues pruned to eliminate duplicates Z: 9 19.156 2.046 0.496 0.879 1.000 0.750 CA 1.604 9 residues pruned to eliminate duplicates Z: 7 2.967 1.578 0.227 0.422 0.667 0.500 CA 1.018 Z: 6 8.768 1.788 0.253 0.591 1.000 1.000 CA 1.604 Z: 6 2.872 1.456 0.453 0.297 0.800 0.600 N 0.952 Z: 30 21.534 2.029 0.512 0.647 0.862 0.552 CB 1.318 30 residues pruned to eliminate duplicates Z: 25 24.511 1.802 0.502 0.871 0.917 0.708 CB 1.471 25 residues pruned to eliminate duplicates Z: 30 52.744 2.336 0.663 0.922 1.000 0.931 CA 1.773 30 residues pruned to eliminate duplicates Z: 8 4.053 2.059 -0.362 0.618 0.857 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 17 7.423 1.706 0.474 0.232 0.688 0.562 CB 1.467 17 residues pruned to eliminate duplicates Z: 15 22.451 2.059 0.579 0.874 0.857 0.643 CB 1.568 15 residues pruned to eliminate duplicates Z: 7 7.471 1.734 1.054 0.358 0.833 0.333 CB 1.198 7 residues pruned to eliminate duplicates Z: 30 35.451 1.943 0.494 0.917 1.000 0.862 CA 1.601 30 residues pruned to eliminate duplicates Z: 16 12.386 1.728 0.260 0.882 1.000 0.867 CB 1.063 16 residues pruned to eliminate duplicates Z: 8 7.250 1.600 0.340 0.892 1.000 0.857 CB 0.919 8 residues pruned to eliminate duplicates Z: 17 22.585 2.061 0.158 0.912 1.000 0.938 CB 1.674 17 residues pruned to eliminate duplicates Z: 48 41.190 2.257 0.921 0.439 0.957 0.638 CB 1.541 48 residues pruned to eliminate duplicates Z: 31 22.234 1.933 0.449 0.571 0.933 0.567 CB 1.450 31 residues pruned to eliminate duplicates Z: 10 15.869 2.166 0.215 0.836 1.000 0.889 CB 1.504 10 residues pruned to eliminate duplicates Z: 12 26.993 2.043 0.627 0.905 1.000 0.909 CA 1.742 12 residues pruned to eliminate duplicates Z: 46 28.273 2.130 0.647 0.543 0.889 0.400 CB 1.296 46 residues pruned to eliminate duplicates Z: 14 15.081 2.003 0.345 0.629 1.000 0.769 CB 1.375 14 residues pruned to eliminate duplicates Z: 12 20.050 1.966 0.372 0.906 1.000 0.727 CB 1.593 12 residues pruned to eliminate duplicates Z: 27 22.558 2.054 0.620 0.605 0.923 0.385 CB 1.304 27 residues pruned to eliminate duplicates Z: 15 19.661 1.908 0.351 0.904 1.000 0.857 CB 1.452 15 residues pruned to eliminate duplicates Z: 21 22.573 2.068 0.710 0.465 0.950 0.650 CB 1.557 21 residues pruned to eliminate duplicates Z: 9 14.099 1.928 0.669 0.829 1.000 0.875 CB 1.165 10 residues pruned to eliminate duplicates Z: 7 9.942 1.986 0.642 0.631 1.000 0.500 CB 1.101 7 residues pruned to eliminate duplicates Z: 11 23.813 2.048 0.681 0.907 1.000 0.600 CB 1.555 11 residues pruned to eliminate duplicates Z: 36 24.805 2.015 0.602 0.581 0.857 0.314 CB 1.401 36 residues pruned to eliminate duplicates Z: 15 38.071 2.176 0.972 0.931 1.000 0.786 CB 1.656 15 residues pruned to eliminate duplicates Z: 47 48.081 2.253 0.807 0.637 0.957 0.674 CB 1.602 47 residues pruned to eliminate duplicates Z: 16 22.185 1.993 0.295 0.922 1.000 0.800 CB 1.561 16 residues pruned to eliminate duplicates Z: 14 18.997 2.081 0.224 0.930 0.923 0.923 CB 1.567 14 residues pruned to eliminate duplicates Z: 18 24.696 1.978 0.757 0.816 0.882 0.706 CA 1.485 18 residues pruned to eliminate duplicates Z: 11 5.212 1.376 0.481 0.392 0.800 0.400 O 1.133 Z: 37 34.814 1.964 0.834 0.691 0.972 0.444 CB 1.391 40 residues pruned to eliminate duplicates Z: 14 24.315 1.851 0.876 0.893 0.923 0.846 CB 1.510 14 residues pruned to eliminate duplicates Z: 17 12.037 1.691 -0.067 0.931 1.000 0.938 O 1.332 17 residues pruned to eliminate duplicates Z: 35 20.524 2.106 0.627 0.470 0.853 0.559 CB 1.242 35 residues pruned to eliminate duplicates Z: 8 3.496 1.427 0.584 0.320 0.857 0.429 CB 0.832 8 residues pruned to eliminate duplicates Z: 12 22.806 1.902 0.926 0.875 0.909 0.364 CB 1.501 12 residues pruned to eliminate duplicates Z: 6 4.070 1.717 0.488 0.670 0.600 0.600 CB 1.015 Z: 9 9.861 1.904 -0.009 0.816 1.000 0.625 CB 1.405 9 residues pruned to eliminate duplicates Z: 28 28.017 1.922 0.298 0.894 1.000 0.778 CA 1.551 28 residues pruned to eliminate duplicates Z: 6 8.298 1.602 0.818 0.844 1.000 0.400 N 0.948 6 residues pruned to eliminate duplicates Z: 12 14.822 1.928 0.710 0.772 0.909 0.727 CB 1.172 12 residues pruned to eliminate duplicates Z: 18 23.423 2.059 0.706 0.705 0.941 0.647 CB 1.426 18 residues pruned to eliminate duplicates Z: 30 44.132 2.089 0.780 0.947 1.000 0.897 CA 1.524 30 residues pruned to eliminate duplicates Z: 6 5.251 2.018 0.432 0.527 0.800 0.600 CB 0.989 6 residues pruned to eliminate duplicates Z: 14 12.431 1.706 0.186 0.848 0.923 0.846 O 1.370 14 residues pruned to eliminate duplicates Z: 37 35.957 1.959 0.751 0.763 0.972 0.472 CB 1.423 37 residues pruned to eliminate duplicates Z: 16 21.064 1.963 0.720 0.722 0.933 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 45 57.146 2.187 0.985 0.776 0.977 0.795 CA 1.591 44 residues pruned to eliminate duplicates Z: 29 25.770 2.049 0.601 0.609 0.893 0.571 CB 1.499 29 residues pruned to eliminate duplicates Z: 8 14.134 1.746 0.780 0.819 1.000 0.714 CB 1.303 Z: 19 28.120 2.048 0.642 0.729 1.000 0.722 CA 1.604 19 residues pruned to eliminate duplicates Z: 9 4.627 1.479 0.365 0.369 0.750 0.250 CB 1.244 Z: 17 21.160 2.095 0.898 0.579 0.812 0.625 CB 1.518 17 residues pruned to eliminate duplicates Z: 17 29.078 2.018 0.833 0.884 0.938 0.812 CA 1.514 17 residues pruned to eliminate duplicates Z: 16 16.856 1.878 0.393 0.914 0.933 0.867 CB 1.261 16 residues pruned to eliminate duplicates Z: 7 8.541 2.039 0.191 0.729 0.833 0.833 CB 1.402 7 residues pruned to eliminate duplicates Z: 24 29.336 2.019 0.850 0.823 0.870 0.478 CB 1.423 24 residues pruned to eliminate duplicates Z: 25 27.333 1.974 0.371 0.890 0.958 0.792 CA 1.548 25 residues pruned to eliminate duplicates Z: 34 29.473 2.055 0.658 0.703 0.909 0.545 CB 1.377 34 residues pruned to eliminate duplicates Z: 46 26.083 2.021 0.782 0.549 0.867 0.600 CB 1.188 45 residues pruned to eliminate duplicates Z: 14 24.964 1.925 0.698 0.847 1.000 0.538 CB 1.573 15 residues pruned to eliminate duplicates Z: 13 16.204 1.913 0.119 0.881 1.000 1.000 CB 1.582 13 residues pruned to eliminate duplicates Z: 17 16.452 1.756 0.367 0.906 1.000 0.938 CB 1.218 17 residues pruned to eliminate duplicates 7 1.936 1.606 0.137 0.249 0.500 0.333 C 1.156 ? Z: 8 2.916 1.695 -0.118 0.567 0.857 0.714 CB 0.806 7 residues pruned to eliminate duplicates Z: 19 21.315 1.874 0.525 0.860 1.000 0.833 CB 1.293 19 residues pruned to eliminate duplicates Z: 21 16.329 1.653 0.378 0.912 1.000 0.750 CB 1.136 17 residues pruned to eliminate duplicates Z: 13 18.585 1.983 0.567 0.845 0.833 0.667 CB 1.541 14 residues pruned to eliminate duplicates Z: 10 10.649 1.658 0.545 0.852 1.000 1.000 CB 1.025 7 residues pruned to eliminate duplicates Z: 7 9.318 1.758 0.568 0.717 1.000 0.833 CB 1.135 7 residues pruned to eliminate duplicates Z: 7 5.423 2.065 0.206 0.557 0.667 0.667 CB 1.262 Z: 39 32.257 2.061 0.465 0.655 1.000 0.737 CB 1.501 39 residues pruned to eliminate duplicates Z: 8 5.671 1.705 0.611 0.333 0.714 0.429 O 1.312 Z: 11 15.733 1.724 0.660 0.833 1.000 1.000 CB 1.304 11 residues pruned to eliminate duplicates Z: 14 17.315 1.903 0.609 0.886 0.846 0.308 CB 1.338 14 residues pruned to eliminate duplicates Z: 16 15.281 2.173 0.539 0.407 0.867 0.467 CB 1.500 16 residues pruned to eliminate duplicates Z: 29 41.700 1.970 1.006 0.909 1.000 0.643 CB 1.416 28 residues pruned to eliminate duplicates Z: 16 18.621 1.847 0.405 0.823 0.933 0.800 CB 1.500 16 residues pruned to eliminate duplicates Z: 14 20.776 1.914 0.675 0.907 0.923 0.846 CB 1.384 14 residues pruned to eliminate duplicates Z: 14 26.021 2.049 0.696 0.896 1.000 0.692 CA 1.488 15 residues pruned to eliminate duplicates Z: 31 23.581 2.013 0.577 0.603 0.867 0.533 CB 1.419 31 residues pruned to eliminate duplicates Z: 19 29.426 2.090 0.698 0.903 0.944 0.667 CB 1.475 19 residues pruned to eliminate duplicates Z: 17 16.723 2.120 0.515 0.597 0.938 0.625 CB 1.265 17 residues pruned to eliminate duplicates Z: 9 14.098 1.844 0.770 0.857 1.000 0.750 CB 1.125 14 residues pruned to eliminate duplicates Z: 54 26.092 1.952 0.509 0.578 0.811 0.491 CB 1.391 47 residues pruned to eliminate duplicates Z: 9 2.865 1.800 -0.034 0.237 0.625 0.500 CB 1.265 Z: 9 7.087 1.595 0.599 0.751 0.875 0.750 CB 0.898 8 residues pruned to eliminate duplicates Z: 13 18.351 1.818 0.308 0.911 1.000 0.917 O 1.578 13 residues pruned to eliminate duplicates Z: 20 17.479 2.117 0.517 0.484 0.842 0.368 CB 1.506 20 residues pruned to eliminate duplicates Z: 44 21.653 2.047 0.573 0.430 0.837 0.535 CB 1.317 65 residues pruned to eliminate duplicates Z: 22 28.099 2.036 0.778 0.927 0.857 0.524 CB 1.384 22 residues pruned to eliminate duplicates Z: 6 7.881 1.734 0.475 0.880 1.000 0.800 CB 0.999 6 residues pruned to eliminate duplicates Z: 11 25.180 2.084 0.841 0.895 1.000 0.900 CB 1.488 11 residues pruned to eliminate duplicates Z: 9 11.485 1.988 0.534 0.482 0.875 0.750 CB 1.549 9 residues pruned to eliminate duplicates Z: 19 27.234 2.017 0.875 0.903 0.944 0.667 CB 1.281 19 residues pruned to eliminate duplicates Z: 15 11.901 1.746 0.011 0.910 1.000 0.929 O 1.278 15 residues pruned to eliminate duplicates Z: 11 20.109 2.031 0.671 0.875 1.000 0.600 CA 1.362 11 residues pruned to eliminate duplicates Z: 25 19.566 2.000 0.396 0.617 0.875 0.542 CB 1.463 Z: 17 17.354 1.861 0.377 0.882 0.938 0.812 CB 1.307 17 residues pruned to eliminate duplicates Z: 6 12.041 2.051 0.667 0.797 1.000 1.000 CA 1.214 6 residues pruned to eliminate duplicates Z: 14 24.857 2.086 0.477 0.893 1.000 0.846 CA 1.606 14 residues pruned to eliminate duplicates Z: 13 4.990 1.819 0.452 0.453 0.750 0.417 CB 0.763 13 residues pruned to eliminate duplicates Z: 10 7.554 1.806 0.121 0.705 0.889 0.556 CB 1.161 10 residues pruned to eliminate duplicates Z: 7 3.446 1.874 -0.111 0.236 0.833 0.333 CB 1.378 Z: 20 7.882 1.667 0.372 0.343 0.895 0.421 CB 1.048 7 residues pruned to eliminate duplicates Z: 13 4.578 1.414 0.290 0.357 0.833 0.583 N 1.015 Z: 20 22.655 1.905 0.612 0.916 0.895 0.263 CB 1.337 20 residues pruned to eliminate duplicates Z: 13 14.232 1.736 0.322 0.871 1.000 0.583 CB 1.306 12 residues pruned to eliminate duplicates Z: 16 12.843 1.728 0.425 0.748 0.867 0.600 CA 1.246 16 residues pruned to eliminate duplicates Z: 9 15.325 1.894 0.554 0.833 1.000 0.750 CB 1.381 9 residues pruned to eliminate duplicates Z: 21 14.110 1.661 0.459 0.920 1.000 0.900 CB 0.917 21 residues pruned to eliminate duplicates Z: 9 3.436 1.579 0.478 0.374 0.625 0.500 CB 0.952 Z: 13 17.760 1.943 0.634 0.747 0.833 0.417 CA 1.554 13 residues pruned to eliminate duplicates Z: 8 5.590 1.721 0.506 0.613 0.857 0.714 CB 0.854 8 residues pruned to eliminate duplicates Z: 16 13.952 1.736 0.543 0.846 0.867 0.667 CB 1.153 16 residues pruned to eliminate duplicates Z: 15 19.997 1.897 0.486 0.833 0.929 0.357 CA 1.531 15 residues pruned to eliminate duplicates Z: 16 20.189 1.949 0.577 0.790 0.933 0.600 CB 1.410 16 residues pruned to eliminate duplicates Z: 7 12.582 1.922 0.844 0.764 0.833 0.667 CB 1.376 7 residues pruned to eliminate duplicates Z: 24 21.208 1.909 0.506 0.867 0.870 0.609 CB 1.294 24 residues pruned to eliminate duplicates Z: 13 16.969 1.984 0.105 0.926 1.000 1.000 CB 1.568 13 residues pruned to eliminate duplicates Z: 6 3.557 1.485 0.174 0.824 1.000 0.800 CB 0.689 Z: 22 21.143 2.295 0.435 0.478 0.905 0.667 CB 1.584 22 residues pruned to eliminate duplicates Z: 20 12.224 1.623 0.422 0.817 0.789 0.632 CA 1.169 20 residues pruned to eliminate duplicates Z: 26 30.817 2.002 0.852 0.899 0.880 0.480 CB 1.351 26 residues pruned to eliminate duplicates Z: 30 44.823 2.124 0.763 0.948 0.966 0.931 CA 1.590 30 residues pruned to eliminate duplicates Z: 28 28.973 2.103 0.527 0.706 0.963 0.667 CB 1.495 18 residues pruned to eliminate duplicates Z: 6 2.904 1.645 0.065 0.555 0.800 0.400 CB 0.878 Z: 7 8.619 1.653 0.494 0.684 0.833 0.500 CB 1.444 7 residues pruned to eliminate duplicates Z: 13 27.450 1.944 1.339 0.909 0.917 0.500 CB 1.349 13 residues pruned to eliminate duplicates Z: 7 6.435 1.474 0.671 0.566 0.833 0.500 N 1.200 7 residues pruned to eliminate duplicates Z: 10 4.613 1.708 0.431 0.400 0.667 0.333 CB 1.048 Z: 7 7.815 1.807 0.295 0.816 1.000 0.833 CB 1.036 7 residues pruned to eliminate duplicates Z: 84 51.414 2.201 0.714 0.593 0.928 0.614 CB 1.475 84 residues pruned to eliminate duplicates Z: 24 26.285 1.836 0.593 0.897 0.957 0.739 CB 1.403 24 residues pruned to eliminate duplicates Z: 15 12.446 1.791 0.568 0.893 0.929 0.714 CB 0.916 15 residues pruned to eliminate duplicates Z: 22 33.010 1.967 0.808 0.948 1.000 0.667 CB 1.399 22 residues pruned to eliminate duplicates Z: 16 14.463 1.736 0.514 0.870 0.867 0.867 CB 1.196 16 residues pruned to eliminate duplicates Z: 8 19.889 2.072 0.510 0.893 1.000 0.571 CA 1.724 8 residues pruned to eliminate duplicates Z: 35 30.349 1.984 0.808 0.680 0.912 0.471 CB 1.348 35 residues pruned to eliminate duplicates Z: 9 2.800 1.633 0.385 0.287 0.625 0.375 CB 0.889 9 residues pruned to eliminate duplicates Z: 8 10.180 1.727 0.625 0.739 1.000 0.571 CA 1.106 8 residues pruned to eliminate duplicates Z: 9 10.504 1.911 0.367 0.761 0.875 0.500 CA 1.288 9 residues pruned to eliminate duplicates Z: 13 16.698 2.052 0.586 0.803 0.833 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 6 7.745 2.024 0.277 0.751 1.000 0.600 CB 1.071 6 residues pruned to eliminate duplicates Z: 15 12.509 1.974 0.716 0.472 0.786 0.500 CB 1.292 15 residues pruned to eliminate duplicates Z: 56 26.976 1.938 0.624 0.507 0.891 0.636 CB 1.287 57 residues pruned to eliminate duplicates Z: 8 9.062 1.993 0.002 0.593 1.000 0.714 CB 1.569 8 residues pruned to eliminate duplicates Z: 23 20.718 2.038 0.406 0.621 0.909 0.682 CB 1.513 23 residues pruned to eliminate duplicates Z: 9 5.368 1.550 0.876 0.393 0.625 0.500 CB 1.169 Z: 12 8.700 1.775 -0.068 0.909 0.909 0.818 CB 1.238 12 residues pruned to eliminate duplicates Z: 21 11.252 1.992 0.541 0.390 0.750 0.550 CB 1.228 21 residues pruned to eliminate duplicates Z: 15 15.655 1.734 0.531 0.895 1.000 0.857 CB 1.129 15 residues pruned to eliminate duplicates Z: 29 28.242 2.064 0.647 0.603 0.929 0.536 CB 1.532 29 residues pruned to eliminate duplicates Z: 10 6.370 2.080 0.316 0.317 0.667 0.556 CB 1.424 4 residues pruned to eliminate duplicates Z: 53 26.932 2.181 0.523 0.418 0.827 0.538 CB 1.482 53 residues pruned to eliminate duplicates Z: 36 14.460 1.738 0.312 0.451 0.857 0.514 CB 1.315 27 residues pruned to eliminate duplicates Z: 9 14.456 1.804 0.778 0.858 1.000 1.000 CB 1.174 9 residues pruned to eliminate duplicates Z: 19 18.222 1.709 0.389 0.940 1.000 0.667 CB 1.257 19 residues pruned to eliminate duplicates Z: 11 16.577 2.045 0.669 0.554 0.900 0.700 CA 1.620 11 residues pruned to eliminate duplicates Z: 37 22.284 1.963 0.476 0.583 0.917 0.611 CB 1.292 38 residues pruned to eliminate duplicates Z: 13 23.401 1.976 0.576 0.934 1.000 1.000 CB 1.513 13 residues pruned to eliminate duplicates Z: 16 23.983 1.926 0.532 0.907 1.000 0.800 CB 1.491 16 residues pruned to eliminate duplicates Z: 29 31.608 1.932 0.926 0.811 0.964 0.464 CB 1.269 29 residues pruned to eliminate duplicates Z: 8 10.411 1.869 0.284 0.734 1.000 0.429 CB 1.328 8 residues pruned to eliminate duplicates Z: 23 25.181 1.979 0.293 0.924 0.955 0.955 CA 1.545 23 residues pruned to eliminate duplicates Z: 13 10.887 1.686 0.608 0.881 1.000 0.333 CB 0.839 13 residues pruned to eliminate duplicates Z: 29 28.308 1.973 0.798 0.881 0.893 0.607 CB 1.223 29 residues pruned to eliminate duplicates Z: 12 13.423 1.868 0.435 0.852 0.909 0.545 CB 1.228 12 residues pruned to eliminate duplicates Z: 22 13.703 2.017 0.617 0.317 0.905 0.381 CB 1.240 22 residues pruned to eliminate duplicates Z: 10 28.913 2.117 0.861 0.882 1.000 0.889 CB 1.770 10 residues pruned to eliminate duplicates Z: 37 31.777 2.153 0.477 0.749 0.861 0.750 CA 1.549 37 residues pruned to eliminate duplicates Z: 16 15.903 1.764 0.251 0.939 1.000 0.933 CB 1.293 16 residues pruned to eliminate duplicates Z: 14 5.024 1.672 0.268 0.339 0.769 0.615 CB 1.017 14 residues pruned to eliminate duplicates Z: 29 48.505 2.174 0.951 0.932 1.000 0.643 CB 1.509 29 residues pruned to eliminate duplicates Z: 10 14.336 1.834 0.249 0.892 1.000 1.000 CB 1.499 10 residues pruned to eliminate duplicates Z: 26 26.923 1.963 0.760 0.795 0.760 0.640 CB 1.584 29 residues pruned to eliminate duplicates Z: 16 16.530 1.846 0.393 0.809 0.867 0.733 CB 1.462 16 residues pruned to eliminate duplicates Z: 32 32.629 2.105 0.919 0.626 0.903 0.677 CB 1.427 32 residues pruned to eliminate duplicates Z: 8 12.190 1.918 0.187 0.868 1.000 0.857 CB 1.480 8 residues pruned to eliminate duplicates Z: 8 28.756 2.522 0.620 0.902 1.000 0.571 CB 1.898 8 residues pruned to eliminate duplicates Z: 23 22.283 1.935 0.648 0.643 0.909 0.636 CB 1.433 23 residues pruned to eliminate duplicates Z: 7 3.968 1.535 0.523 0.275 0.667 0.333 N 1.341 7 residues pruned to eliminate duplicates Z: 11 7.347 1.739 0.562 0.429 0.700 0.400 CB 1.316 11 residues pruned to eliminate duplicates Z: 43 55.053 2.213 0.795 0.872 0.976 0.643 CB 1.596 43 residues pruned to eliminate duplicates Z: 14 13.817 1.999 0.689 0.486 0.923 0.769 CB 1.247 14 residues pruned to eliminate duplicates Z: 14 17.268 1.826 0.425 0.893 1.000 0.923 CB 1.322 14 residues pruned to eliminate duplicates Z: 13 13.119 1.907 0.385 0.818 0.833 0.667 CB 1.305 13 residues pruned to eliminate duplicates Z: 12 10.882 1.805 0.040 0.876 1.000 0.818 CB 1.270 11 residues pruned to eliminate duplicates Z: 8 3.850 1.653 0.584 0.447 0.857 0.571 CB 0.685 8 residues pruned to eliminate duplicates Z: 28 24.149 2.017 0.528 0.638 0.926 0.778 CB 1.432 28 residues pruned to eliminate duplicates 6 1.117 1.220 0.352 0.471 0.800 0.400 CB 0.390 ? Z: 30 51.323 2.289 0.823 0.938 1.000 0.793 CB 1.588 30 residues pruned to eliminate duplicates Z: 10 7.009 2.169 0.379 0.334 0.778 0.556 CB 1.205 10 residues pruned to eliminate duplicates Z: 10 11.257 2.014 0.308 0.890 1.000 0.778 CB 1.025 10 residues pruned to eliminate duplicates Z: 12 4.751 1.623 0.741 0.362 0.818 0.455 CB 0.719 9 residues pruned to eliminate duplicates Z: 23 24.592 1.955 0.258 0.921 1.000 0.955 CB 1.500 23 residues pruned to eliminate duplicates Z: 11 15.498 1.882 0.373 0.832 1.000 0.800 CB 1.424 11 residues pruned to eliminate duplicates Z: 12 6.361 1.476 0.635 0.430 0.818 0.455 CB 1.045 Z: 16 21.227 1.932 0.480 0.882 1.000 0.733 CA 1.387 16 residues pruned to eliminate duplicates Z: 36 20.983 2.131 0.647 0.495 0.800 0.457 CB 1.270 36 residues pruned to eliminate duplicates Z: 7 14.806 2.112 0.661 0.833 0.833 0.833 N 1.551 7 residues pruned to eliminate duplicates Z: 13 32.862 2.124 1.094 0.880 1.000 0.917 CB 1.545 13 residues pruned to eliminate duplicates Z: 7 3.260 1.567 0.299 0.325 0.667 0.500 N 1.189 Z: 17 30.114 2.064 0.962 0.859 0.938 0.750 CA 1.459 18 residues pruned to eliminate duplicates Z: 9 6.545 1.527 0.125 0.837 0.875 0.500 CB 1.151 Z: 9 4.234 1.953 0.350 0.428 0.875 0.500 CB 0.700 9 residues pruned to eliminate duplicates Z: 29 21.981 2.187 0.711 0.316 0.893 0.571 CB 1.524 29 residues pruned to eliminate duplicates Z: 29 18.361 2.044 0.464 0.506 0.857 0.500 CB 1.345 29 residues pruned to eliminate duplicates Z: 6 3.006 1.361 0.628 0.560 1.000 0.600 CB 0.572 Z: 8 8.758 1.860 0.644 0.677 0.857 0.571 CB 1.073 8 residues pruned to eliminate duplicates Z: 33 15.990 1.860 0.342 0.487 0.906 0.656 CB 1.266 33 residues pruned to eliminate duplicates Z: 14 7.429 1.526 0.640 0.396 0.769 0.615 CB 1.195 9 residues pruned to eliminate duplicates Z: 30 23.779 1.987 0.765 0.611 0.793 0.724 CB 1.429 30 residues pruned to eliminate duplicates Z: 13 14.878 1.832 0.399 0.577 1.000 0.750 CB 1.556 12 residues pruned to eliminate duplicates Z: 7 12.648 2.023 0.394 0.617 1.000 0.833 CA 1.639 7 residues pruned to eliminate duplicates Z: 47 44.429 2.177 0.539 0.805 0.978 0.783 CA 1.532 47 residues pruned to eliminate duplicates Z: 26 18.263 2.047 0.503 0.426 0.920 0.400 CB 1.394 26 residues pruned to eliminate duplicates Z: 10 8.138 2.072 0.614 0.359 0.778 0.333 CB 1.214 10 residues pruned to eliminate duplicates Z: 13 25.255 1.925 0.814 0.908 1.000 0.667 N 1.483 13 residues pruned to eliminate duplicates Z: 31 44.946 2.055 1.029 0.908 1.000 0.700 CB 1.398 31 residues pruned to eliminate duplicates Z: 9 14.235 1.925 0.255 0.865 1.000 1.000 CB 1.526 9 residues pruned to eliminate duplicates Z: 8 2.919 1.508 0.107 0.388 0.714 0.429 N 1.042 Z: 9 12.943 1.764 0.430 0.887 1.000 1.000 CB 1.309 9 residues pruned to eliminate duplicates Z: 12 18.764 1.947 0.628 0.835 0.909 0.455 CA 1.471 12 residues pruned to eliminate duplicates Z: 6 3.823 1.755 -0.174 0.813 1.000 1.000 CB 0.898 6 residues pruned to eliminate duplicates Z: 8 15.543 2.076 1.286 0.809 0.857 0.571 CA 1.103 15 residues pruned to eliminate duplicates Z: 29 33.547 1.974 0.408 0.927 1.000 0.893 CA 1.599 29 residues pruned to eliminate duplicates Z: 6 11.277 1.966 0.543 0.826 1.000 0.400 CB 1.254 6 residues pruned to eliminate duplicates Z: 6 6.801 1.895 -0.125 0.773 1.000 0.800 CB 1.441 6 residues pruned to eliminate duplicates Z: 13 5.394 1.598 0.531 0.305 0.667 0.500 CA 1.185 Z: 7 7.262 1.956 0.095 0.687 0.833 0.667 CB 1.399 7 residues pruned to eliminate duplicates Z: 24 23.601 1.937 0.790 0.876 0.826 0.217 CB 1.249 24 residues pruned to eliminate duplicates Z: 10 9.180 1.995 0.456 0.383 1.000 0.889 CB 1.193 9 residues pruned to eliminate duplicates Z: 23 24.610 1.950 0.290 0.917 0.955 0.955 CA 1.542 23 residues pruned to eliminate duplicates Z: 10 5.597 1.710 0.292 0.533 1.000 0.444 CB 0.817 9 residues pruned to eliminate duplicates Z: 9 12.085 1.671 0.805 0.735 0.875 0.250 O 1.311 9 residues pruned to eliminate duplicates Z: 13 15.520 1.731 0.880 0.822 1.000 0.667 CB 1.041 13 residues pruned to eliminate duplicates Z: 10 6.007 1.335 0.319 0.832 1.000 0.556 CB 0.854 6 residues pruned to eliminate duplicates Z: 16 15.126 1.932 0.365 0.574 0.933 0.600 CB 1.477 16 residues pruned to eliminate duplicates Z: 12 16.521 2.044 0.040 0.915 1.000 1.000 CB 1.656 12 residues pruned to eliminate duplicates Z: 6 3.268 1.516 0.115 0.440 1.000 0.800 CB 0.920 Z: 9 13.239 1.710 0.786 0.811 1.000 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 14 8.428 1.720 0.289 0.549 1.000 0.615 CB 1.005 Z: 67 41.167 1.964 0.737 0.653 0.939 0.485 CB 1.371 65 residues pruned to eliminate duplicates Z: 19 8.967 1.740 0.280 0.393 0.889 0.500 CB 1.195 19 residues pruned to eliminate duplicates Z: 13 13.459 1.928 0.410 0.826 1.000 0.333 CB 1.077 13 residues pruned to eliminate duplicates Z: 29 38.002 1.999 0.967 0.878 0.893 0.321 CB 1.485 29 residues pruned to eliminate duplicates Z: 15 23.623 1.959 0.544 0.895 1.000 0.857 CB 1.496 15 residues pruned to eliminate duplicates Z: 6 2.927 0.958 0.432 0.693 1.000 0.400 C 0.800 Z: 19 17.897 1.965 0.614 0.444 1.000 0.444 CB 1.408 24 residues pruned to eliminate duplicates Z: 18 18.192 1.729 0.414 0.875 0.941 0.765 CB 1.394 18 residues pruned to eliminate duplicates Z: 17 16.333 1.792 0.315 0.773 0.938 0.625 CB 1.452 17 residues pruned to eliminate duplicates 6 1.066 1.487 0.386 0.481 0.800 0.600 CB 0.295 ? Z: 7 10.294 1.954 0.372 0.812 1.000 0.667 CA 1.194 7 residues pruned to eliminate duplicates Z: 47 36.482 2.092 0.705 0.701 0.848 0.674 CB 1.481 47 residues pruned to eliminate duplicates Z: 8 13.617 2.238 0.536 0.867 0.714 0.143 CB 1.533 8 residues pruned to eliminate duplicates Z: 14 25.413 2.127 0.770 0.910 1.000 0.769 CA 1.328 14 residues pruned to eliminate duplicates Z: 20 17.028 1.704 0.407 0.900 1.000 0.579 CB 1.164 20 residues pruned to eliminate duplicates Z: 14 22.995 2.021 0.809 0.890 0.846 0.538 CB 1.483 14 residues pruned to eliminate duplicates Z: 11 7.569 1.808 0.455 0.479 0.800 0.400 CB 1.161 11 residues pruned to eliminate duplicates Z: 13 10.651 1.905 0.631 0.535 0.917 0.667 CB 1.043 14 residues pruned to eliminate duplicates Z: 8 9.115 1.683 0.356 0.823 1.000 0.714 CA 1.141 8 residues pruned to eliminate duplicates Z: 12 28.962 2.021 0.890 0.916 1.000 0.818 N 1.615 12 residues pruned to eliminate duplicates Z: 25 27.723 1.966 0.725 0.872 0.917 0.583 CB 1.327 25 residues pruned to eliminate duplicates Z: 13 16.956 2.128 0.606 0.706 0.917 0.667 CB 1.296 14 residues pruned to eliminate duplicates Z: 25 38.843 1.929 1.294 0.910 0.958 0.500 CB 1.325 25 residues pruned to eliminate duplicates Z: 11 9.494 1.508 0.199 0.881 1.000 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 26 13.596 1.755 0.667 0.502 0.720 0.520 CB 1.288 26 residues pruned to eliminate duplicates Z: 18 12.360 1.722 0.195 0.909 1.000 0.882 CB 1.034 18 residues pruned to eliminate duplicates Z: 15 18.781 1.741 0.578 0.866 0.929 0.643 CB 1.441 15 residues pruned to eliminate duplicates Z: 21 11.755 2.014 0.384 0.381 0.800 0.500 CB 1.338 21 residues pruned to eliminate duplicates Z: 17 14.502 1.678 0.592 0.829 0.875 0.812 CB 1.167 17 residues pruned to eliminate duplicates Z: 11 23.571 2.054 0.598 0.886 1.000 0.800 CA 1.638 11 residues pruned to eliminate duplicates Z: 21 15.116 1.717 0.400 0.889 0.900 0.500 CB 1.125 21 residues pruned to eliminate duplicates Z: 17 16.531 1.631 0.670 0.864 1.000 0.688 CB 1.113 26 residues pruned to eliminate duplicates Z: 12 14.677 1.983 0.176 0.900 1.000 1.000 CA 1.356 12 residues pruned to eliminate duplicates Z: 28 27.062 1.853 0.715 0.907 0.889 0.481 CB 1.310 28 residues pruned to eliminate duplicates Z: 6 2.433 1.618 0.166 0.441 0.800 0.400 CB 0.766 Z: 14 14.702 1.796 0.374 0.817 0.923 0.692 CA 1.359 14 residues pruned to eliminate duplicates Z: 8 14.372 1.804 1.005 0.632 1.000 0.571 CA 1.327 10 residues pruned to eliminate duplicates Z: 14 13.047 1.801 0.655 0.834 0.846 0.538 CB 1.075 14 residues pruned to eliminate duplicates Z: 8 10.019 1.795 0.488 0.816 0.857 0.857 CA 1.257 8 residues pruned to eliminate duplicates Z: 22 12.589 1.785 0.452 0.504 0.905 0.619 CB 1.167 22 residues pruned to eliminate duplicates Z: 14 27.897 2.046 0.852 0.875 0.846 0.692 CA 1.755 14 residues pruned to eliminate duplicates Z: 16 13.849 1.831 0.569 0.872 0.800 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 17 13.848 1.945 0.233 0.530 0.938 0.750 CB 1.495 17 residues pruned to eliminate duplicates Z: 13 25.912 1.942 0.918 0.871 1.000 0.667 CB 1.465 13 residues pruned to eliminate duplicates Z: 9 2.327 1.403 0.591 0.231 0.625 0.250 N 0.807 Z: 29 42.637 2.005 0.929 0.932 1.000 0.429 CB 1.455 29 residues pruned to eliminate duplicates Z: 6 5.402 1.625 -0.054 0.838 0.800 0.800 CB 1.468 Z: 21 14.344 2.068 0.438 0.541 0.800 0.450 CB 1.295 21 residues pruned to eliminate duplicates Z: 28 27.037 2.027 0.586 0.616 0.963 0.593 CB 1.506 38 residues pruned to eliminate duplicates Z: 14 6.718 1.611 0.392 0.332 0.769 0.462 CB 1.298 14 residues pruned to eliminate duplicates Z: 9 4.586 1.500 0.640 0.330 0.750 0.375 N 1.059 Z: 6 5.395 1.542 0.454 0.597 1.000 0.800 C 0.981 6 residues pruned to eliminate duplicates Z: 11 8.161 1.513 0.207 0.838 0.900 0.700 CA 1.173 11 residues pruned to eliminate duplicates Z: 14 20.694 1.934 0.308 0.910 1.000 0.846 CA 1.609 14 residues pruned to eliminate duplicates Z: 8 7.616 1.467 0.446 0.756 1.000 0.429 CB 1.080 8 residues pruned to eliminate duplicates Z: 44 31.385 2.085 0.789 0.520 0.884 0.674 CB 1.424 110 residues pruned to eliminate duplicates Z: 9 14.775 1.923 0.462 0.840 1.000 0.750 CB 1.386 9 residues pruned to eliminate duplicates Z: 26 18.333 1.777 0.459 0.738 0.920 0.800 CB 1.242 26 residues pruned to eliminate duplicates Z: 7 5.841 1.730 0.361 0.399 1.000 0.833 CB 1.127 7 residues pruned to eliminate duplicates Z: 12 12.301 1.772 0.691 0.884 1.000 0.364 CB 0.894 12 residues pruned to eliminate duplicates Z: 18 14.261 1.775 0.128 0.927 0.941 0.882 CB 1.287 18 residues pruned to eliminate duplicates Z: 48 43.560 2.082 1.063 0.751 0.894 0.404 CB 1.323 48 residues pruned to eliminate duplicates Z: 7 4.750 1.579 0.613 0.510 1.000 0.667 CB 0.754 7 residues pruned to eliminate duplicates Z: 24 18.794 2.153 0.625 0.358 0.957 0.565 CA 1.364 24 residues pruned to eliminate duplicates Z: 8 3.069 1.458 0.269 0.360 0.714 0.429 N 1.020 Z: 12 27.215 1.958 1.007 0.908 1.000 0.273 CB 1.483 12 residues pruned to eliminate duplicates Z: 7 7.889 1.688 0.699 0.768 0.833 0.333 N 1.063 7 residues pruned to eliminate duplicates Z: 29 23.530 2.022 0.541 0.549 0.929 0.500 CB 1.466 29 residues pruned to eliminate duplicates Z: 16 16.205 1.737 0.538 0.886 1.000 0.467 CB 1.130 16 residues pruned to eliminate duplicates Z: 12 11.702 1.873 0.609 0.544 0.818 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 13 10.674 2.059 0.514 0.452 0.833 0.500 CA 1.246 13 residues pruned to eliminate duplicates Z: 7 13.836 2.072 0.433 0.695 1.000 0.333 CA 1.593 7 residues pruned to eliminate duplicates Z: 17 23.050 2.081 0.397 0.845 1.000 0.938 CA 1.473 17 residues pruned to eliminate duplicates Z: 30 34.778 1.971 0.809 0.889 0.897 0.310 CB 1.454 30 residues pruned to eliminate duplicates Z: 9 15.402 1.859 0.685 0.820 0.875 0.625 CB 1.505 9 residues pruned to eliminate duplicates Z: 16 13.586 1.641 0.389 0.829 0.933 0.733 CB 1.240 16 residues pruned to eliminate duplicates Z: 8 11.235 1.866 0.339 0.890 1.000 1.000 CB 1.223 8 residues pruned to eliminate duplicates Z: 37 32.276 1.970 0.787 0.748 0.944 0.389 CB 1.297 37 residues pruned to eliminate duplicates Z: 6 3.829 1.645 -0.055 0.416 1.000 0.600 CB 1.203 Z: 19 15.367 2.059 0.509 0.492 0.889 0.556 CB 1.321 19 residues pruned to eliminate duplicates Z: 16 27.702 2.109 0.488 0.901 1.000 0.933 CA 1.627 16 residues pruned to eliminate duplicates Z: 14 23.381 1.914 0.564 0.886 1.000 0.769 N 1.563 14 residues pruned to eliminate duplicates Z: 10 9.139 1.656 0.441 0.678 0.889 0.556 CB 1.219 Z: 97 46.829 2.158 0.609 0.566 0.917 0.646 CB 1.409 97 residues pruned to eliminate duplicates Z: 9 8.070 1.582 0.404 0.835 0.875 0.625 CB 1.100 Z: 6 4.394 1.268 0.686 0.768 1.000 0.600 CA 0.725 6 residues pruned to eliminate duplicates Z: 17 12.453 1.859 0.663 0.423 0.875 0.688 CB 1.248 17 residues pruned to eliminate duplicates Z: 14 21.675 1.906 0.761 0.890 0.923 0.769 CB 1.395 14 residues pruned to eliminate duplicates Z: 18 13.539 1.870 0.433 0.507 0.882 0.353 CB 1.379 18 residues pruned to eliminate duplicates Z: 7 9.035 1.561 0.520 0.789 1.000 1.000 CB 1.206 7 residues pruned to eliminate duplicates Z: 22 24.779 1.888 0.435 0.909 1.000 0.762 CB 1.416 22 residues pruned to eliminate duplicates Z: 7 6.124 1.660 0.588 0.886 1.000 0.833 CB 0.684 4 residues pruned to eliminate duplicates Z: 35 43.745 2.207 0.942 0.705 0.912 0.676 CB 1.594 35 residues pruned to eliminate duplicates Z: 31 26.948 2.094 0.698 0.533 0.900 0.533 CB 1.488 9 residues pruned to eliminate duplicates Z: 9 17.945 1.996 0.480 0.858 1.000 0.500 N 1.581 9 residues pruned to eliminate duplicates Z: 8 5.212 1.744 0.713 0.398 1.000 1.000 CB 0.734 Z: 9 3.184 1.456 0.294 0.209 0.750 0.375 C 1.123 Z: 16 9.624 1.646 0.542 0.769 0.800 0.467 CB 0.964 16 residues pruned to eliminate duplicates Z: 35 20.270 1.908 0.541 0.606 0.882 0.559 CB 1.212 35 residues pruned to eliminate duplicates Z: 9 11.353 1.780 0.448 0.786 1.000 0.750 CA 1.211 9 residues pruned to eliminate duplicates Z: 14 21.858 2.076 0.878 0.535 0.923 0.615 CA 1.628 14 residues pruned to eliminate duplicates Z: 30 41.437 2.221 0.512 0.938 1.000 0.966 CB 1.593 30 residues pruned to eliminate duplicates Z: 7 5.451 1.645 0.369 0.532 0.833 0.667 CB 1.149 7 residues pruned to eliminate duplicates 6 1.937 1.423 -0.104 0.414 0.800 0.600 N 0.929 ? Z: 63 60.445 2.229 0.745 0.777 0.935 0.726 CB 1.652 63 residues pruned to eliminate duplicates Z: 19 22.270 1.979 0.715 0.655 0.944 0.556 CB 1.418 19 residues pruned to eliminate duplicates Z: 10 9.162 1.816 0.094 0.856 1.000 0.667 CB 1.133 10 residues pruned to eliminate duplicates Z: 12 6.180 1.782 0.349 0.433 0.818 0.636 CB 1.015 8 residues pruned to eliminate duplicates Z: 12 28.922 2.036 1.195 0.919 0.909 0.545 CB 1.513 12 residues pruned to eliminate duplicates Z: 15 17.386 1.991 0.610 0.882 0.929 0.643 CB 1.129 14 residues pruned to eliminate duplicates Z: 18 16.649 1.698 0.542 0.895 0.941 0.588 CB 1.174 18 residues pruned to eliminate duplicates Z: 28 40.602 1.989 0.764 0.916 1.000 0.556 CB 1.572 28 residues pruned to eliminate duplicates Z: 11 10.383 1.905 0.566 0.867 0.900 0.800 CB 0.894 11 residues pruned to eliminate duplicates Z: 51 25.024 1.917 0.620 0.512 0.900 0.620 CB 1.252 53 residues pruned to eliminate duplicates Z: 7 14.431 1.787 0.841 0.851 1.000 0.833 CB 1.325 8 residues pruned to eliminate duplicates Z: 10 9.620 1.554 0.765 0.770 0.889 0.778 CB 1.036 10 residues pruned to eliminate duplicates Z: 6 3.800 1.548 0.193 0.458 0.800 0.600 CB 1.201 8 1.579 1.439 0.672 0.338 0.571 0.571 CB 0.518 ? Z: 16 9.604 1.638 0.557 0.464 0.800 0.467 CB 1.261 14 residues pruned to eliminate duplicates Z: 10 6.824 1.926 0.628 0.416 0.667 0.444 N 1.188 10 residues pruned to eliminate duplicates Z: 6 4.126 2.008 0.559 0.800 0.800 0.400 CB 0.567 6 residues pruned to eliminate duplicates Z: 27 18.066 2.116 0.383 0.547 0.846 0.500 CB 1.366 27 residues pruned to eliminate duplicates Z: 16 21.150 1.866 0.423 0.790 1.000 0.800 N 1.594 16 residues pruned to eliminate duplicates Z: 15 20.448 1.983 0.588 0.826 1.000 0.714 CB 1.309 15 residues pruned to eliminate duplicates Z: 7 3.276 1.363 0.248 0.803 1.000 0.667 CB 0.603 Z: 15 9.892 1.746 0.453 0.456 0.786 0.571 CB 1.388 15 residues pruned to eliminate duplicates Z: 16 18.023 1.799 0.480 0.854 1.000 0.800 CA 1.291 16 residues pruned to eliminate duplicates Z: 71 53.693 2.179 0.736 0.687 0.943 0.757 CA 1.516 71 residues pruned to eliminate duplicates Z: 14 9.341 1.886 0.669 0.454 0.923 0.462 CB 0.935 14 residues pruned to eliminate duplicates Z: 8 5.943 1.638 0.487 0.302 1.000 0.714 CB 1.150 Z: 19 16.058 1.899 0.627 0.783 0.944 0.722 CB 1.011 19 residues pruned to eliminate duplicates Z: 12 13.497 1.693 0.860 0.881 1.000 0.545 CB 0.936 12 residues pruned to eliminate duplicates Z: 10 15.022 1.752 0.663 0.814 1.000 0.778 CB 1.307 Z: 8 4.353 1.566 0.383 0.345 1.000 0.429 CB 0.900 Z: 6 2.889 1.384 0.116 0.556 1.000 0.800 N 0.792 Z: 15 20.783 1.940 0.407 0.847 1.000 0.786 CB 1.511 15 residues pruned to eliminate duplicates Z: 8 8.584 1.526 0.309 0.801 1.000 0.857 N 1.249 8 residues pruned to eliminate duplicates Z: 31 25.478 2.016 0.571 0.609 0.933 0.533 CB 1.419 31 residues pruned to eliminate duplicates Z: 29 21.034 2.029 0.471 0.589 0.893 0.750 CB 1.370 29 residues pruned to eliminate duplicates Z: 9 14.108 1.660 0.737 0.841 1.000 0.750 O 1.290 9 residues pruned to eliminate duplicates Z: 12 23.268 1.865 0.826 0.828 1.000 0.727 CA 1.551 12 residues pruned to eliminate duplicates Z: 13 14.135 1.866 0.150 0.899 1.000 1.000 CB 1.359 13 residues pruned to eliminate duplicates Z: 6 4.405 1.819 0.454 0.297 0.800 0.800 CA 1.168 Z: 15 12.327 1.684 0.518 0.830 0.857 0.786 CB 1.130 15 residues pruned to eliminate duplicates Z: 16 22.611 1.835 0.594 0.865 1.000 0.733 CB 1.462 16 residues pruned to eliminate duplicates Z: 19 13.624 1.660 0.160 0.885 0.944 0.778 CB 1.275 18 residues pruned to eliminate duplicates Z: 11 9.829 1.766 0.303 0.659 1.000 0.700 CB 1.165 11 residues pruned to eliminate duplicates Z: 18 16.772 1.711 0.507 0.872 0.941 0.765 CB 1.222 18 residues pruned to eliminate duplicates Z: 12 24.333 1.876 0.931 0.877 1.000 0.818 CB 1.471 12 residues pruned to eliminate duplicates Z: 10 13.546 1.766 1.121 0.592 0.778 0.444 CB 1.419 10 residues pruned to eliminate duplicates Z: 28 31.823 1.996 0.865 0.874 0.852 0.370 CB 1.405 28 residues pruned to eliminate duplicates Z: 16 8.450 1.735 0.353 0.490 0.933 0.733 CB 1.006 16 residues pruned to eliminate duplicates Z: 8 15.819 2.026 0.550 0.894 1.000 0.714 CB 1.365 8 residues pruned to eliminate duplicates Z: 16 16.394 1.748 0.557 0.915 0.933 0.867 CB 1.177 16 residues pruned to eliminate duplicates Z: 16 25.204 2.125 0.592 0.914 0.933 0.867 CA 1.457 16 residues pruned to eliminate duplicates Z: 7 5.135 1.646 0.870 0.242 0.667 0.500 O 1.377 Z: 22 37.664 2.094 0.774 0.931 0.952 0.810 CB 1.624 22 residues pruned to eliminate duplicates Z: 6 3.206 1.696 -0.160 0.797 1.000 0.800 CB 0.776 Z: 14 8.994 1.873 0.319 0.479 0.923 0.692 CB 1.118 14 residues pruned to eliminate duplicates Z: 18 16.665 1.753 0.180 0.944 1.000 0.765 CB 1.353 18 residues pruned to eliminate duplicates Z: 12 8.919 1.501 0.241 0.853 1.000 0.727 CA 1.067 12 residues pruned to eliminate duplicates Z: 13 8.853 1.764 0.291 0.587 0.917 0.583 CB 1.127 20 residues pruned to eliminate duplicates Z: 9 3.231 1.681 0.512 0.310 0.625 0.375 CB 0.887 9 residues pruned to eliminate duplicates Z: 16 17.093 1.813 0.384 0.850 0.867 0.733 CB 1.503 16 residues pruned to eliminate duplicates Z: 17 15.758 1.696 0.423 0.852 0.938 0.812 CB 1.288 17 residues pruned to eliminate duplicates Z: 12 8.865 1.731 0.329 0.395 0.909 0.545 CB 1.428 12 residues pruned to eliminate duplicates Z: 11 15.103 1.983 0.138 0.914 1.000 0.900 CB 1.497 12 residues pruned to eliminate duplicates Z: 44 26.530 2.095 0.592 0.383 0.977 0.535 CB 1.406 44 residues pruned to eliminate duplicates Z: 8 2.144 1.288 0.799 0.409 0.714 0.571 N 0.539 Z: 11 11.136 1.758 0.083 0.869 1.000 0.800 CB 1.351 11 residues pruned to eliminate duplicates Z: 7 5.666 2.033 -0.253 0.732 1.000 0.667 CB 1.236 7 residues pruned to eliminate duplicates Z: 21 16.595 1.648 0.560 0.928 0.950 0.750 CB 1.065 21 residues pruned to eliminate duplicates 6 1.985 1.601 -0.156 0.355 0.600 0.600 N 1.281 ? Z: 16 12.534 1.730 0.469 0.852 0.867 0.800 CB 1.087 16 residues pruned to eliminate duplicates Z: 16 16.517 1.995 0.649 0.753 0.867 0.600 CB 1.193 16 residues pruned to eliminate duplicates Z: 7 2.391 1.430 0.340 0.281 1.000 0.667 CB 0.652 Z: 9 4.208 1.651 0.337 0.375 0.750 0.500 CA 1.027 9 residues pruned to eliminate duplicates Z: 17 19.792 1.859 0.282 0.900 1.000 0.938 CA 1.483 17 residues pruned to eliminate duplicates Z: 16 22.617 2.080 0.561 0.748 0.933 0.800 CB 1.544 16 residues pruned to eliminate duplicates Z: 15 21.264 1.925 0.752 0.866 0.929 0.429 CB 1.329 15 residues pruned to eliminate duplicates Z: 10 7.990 1.753 0.389 0.415 0.889 0.444 CA 1.344 10 residues pruned to eliminate duplicates Z: 11 9.258 1.875 0.271 0.825 0.900 0.700 CB 1.031 11 residues pruned to eliminate duplicates Z: 14 9.859 1.717 0.186 0.555 0.923 0.692 CB 1.379 16 residues pruned to eliminate duplicates Z: 15 15.688 1.690 0.642 0.895 1.000 0.500 CB 1.083 15 residues pruned to eliminate duplicates Z: 11 20.745 1.790 1.444 0.862 0.800 0.300 CA 1.376 11 residues pruned to eliminate duplicates Z: 90 55.641 2.194 0.707 0.560 0.933 0.607 CA 1.593 90 residues pruned to eliminate duplicates Z: 8 9.141 1.679 0.612 0.790 1.000 0.857 CB 0.990 8 residues pruned to eliminate duplicates Z: 40 27.051 1.972 0.678 0.670 0.897 0.308 CB 1.247 40 residues pruned to eliminate duplicates Z: 21 32.025 1.994 1.125 0.936 0.950 0.400 CB 1.239 21 residues pruned to eliminate duplicates Z: 33 22.163 1.948 0.591 0.598 0.906 0.594 CB 1.270 33 residues pruned to eliminate duplicates Z: 13 25.951 1.910 0.924 0.903 1.000 0.833 N 1.453 13 residues pruned to eliminate duplicates Z: 8 4.432 1.719 0.020 0.468 0.857 0.714 CB 1.151 Z: 6 3.575 1.261 0.000 0.827 1.000 0.800 CA 0.956 Z: 9 6.428 1.908 0.299 0.709 0.875 0.750 CB 0.866 6 residues pruned to eliminate duplicates Z: 29 23.616 2.027 0.592 0.477 0.893 0.464 CB 1.587 29 residues pruned to eliminate duplicates Z: 23 46.050 2.084 1.389 0.890 1.000 0.591 CB 1.418 23 residues pruned to eliminate duplicates Z: 7 6.483 1.636 0.069 0.772 1.000 0.833 CB 1.190 7 residues pruned to eliminate duplicates Z: 14 21.574 2.100 0.511 0.832 1.000 0.846 CB 1.416 14 residues pruned to eliminate duplicates Z: 8 4.760 1.513 0.383 0.632 0.857 0.571 CB 0.887 Z: 19 18.600 2.207 0.849 0.549 0.778 0.333 CB 1.316 19 residues pruned to eliminate duplicates Z: 9 14.582 1.674 0.762 0.882 1.000 0.875 CB 1.265 9 residues pruned to eliminate duplicates Z: 13 18.449 1.950 0.367 0.859 1.000 0.667 CB 1.470 13 residues pruned to eliminate duplicates Z: 28 23.067 2.049 0.327 0.649 0.963 0.667 CB 1.476 28 residues pruned to eliminate duplicates Z: 15 8.404 1.742 0.051 0.575 1.000 0.643 CB 1.141 14 residues pruned to eliminate duplicates Z: 8 2.288 1.480 0.602 0.615 0.429 0.429 CB 0.763 Z: 13 21.908 1.885 0.737 0.896 1.000 0.750 CA 1.383 13 residues pruned to eliminate duplicates Z: 6 2.500 1.264 0.338 0.375 0.800 0.400 CB 0.945 Z: 10 11.041 1.633 0.753 0.743 0.889 0.667 CB 1.163 18 residues pruned to eliminate duplicates Z: 16 12.136 1.716 0.024 0.891 0.933 0.933 O 1.374 16 residues pruned to eliminate duplicates Z: 9 19.484 2.363 0.680 0.618 1.000 0.375 CB 1.552 9 residues pruned to eliminate duplicates Z: 17 19.972 1.872 0.395 0.863 1.000 0.875 CA 1.402 17 residues pruned to eliminate duplicates Z: 7 9.504 1.950 0.170 0.800 1.000 0.667 CA 1.309 7 residues pruned to eliminate duplicates Z: 8 7.508 1.970 0.202 0.434 0.857 0.571 CA 1.497 8 residues pruned to eliminate duplicates Z: 28 17.790 1.752 0.562 0.535 0.852 0.444 CA 1.420 25 residues pruned to eliminate duplicates Z: 50 19.667 2.022 0.521 0.418 0.837 0.531 CB 1.189 70 residues pruned to eliminate duplicates Z: 16 21.378 2.003 0.657 0.776 0.867 0.733 CB 1.505 16 residues pruned to eliminate duplicates Z: 7 3.388 1.438 -0.031 0.630 0.833 0.500 C 1.054 Z: 10 16.636 1.969 0.670 0.642 1.000 0.444 CB 1.476 10 residues pruned to eliminate duplicates Z: 12 34.028 2.283 1.293 0.876 0.909 0.455 CA 1.567 12 residues pruned to eliminate duplicates Z: 11 17.491 2.135 0.387 0.836 1.000 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 49 28.179 1.966 0.439 0.564 0.958 0.688 CB 1.409 49 residues pruned to eliminate duplicates Z: 52 26.448 2.070 0.465 0.411 0.941 0.529 CB 1.425 52 residues pruned to eliminate duplicates Z: 29 28.419 2.046 0.690 0.673 0.964 0.536 CB 1.373 29 residues pruned to eliminate duplicates 6 1.314 1.150 0.351 0.299 0.600 0.400 O 0.788 ? Z: 6 4.698 1.705 0.136 0.780 1.000 0.600 CB 0.848 6 residues pruned to eliminate duplicates Z: 22 23.330 1.865 0.849 0.749 0.857 0.476 CB 1.378 22 residues pruned to eliminate duplicates Z: 12 9.522 1.640 0.307 0.871 1.000 0.818 CA 0.977 12 residues pruned to eliminate duplicates Z: 36 25.220 1.872 0.609 0.561 0.886 0.371 CB 1.506 36 residues pruned to eliminate duplicates Z: 7 5.726 1.567 0.304 0.492 1.000 0.500 N 1.153 Z: 9 5.667 1.804 0.298 0.556 0.875 0.750 CB 0.926 10 residues pruned to eliminate duplicates Z: 17 11.930 1.596 0.495 0.585 0.938 0.812 CB 1.229 17 residues pruned to eliminate duplicates 6 0.877 1.446 0.416 0.100 0.600 0.600 CB 0.532 ? Z: 30 38.550 1.942 0.787 0.913 1.000 0.379 CB 1.460 30 residues pruned to eliminate duplicates 6 1.840 1.211 0.840 0.441 0.800 0.400 CB 0.490 ? Z: 9 5.261 1.487 -0.048 0.844 1.000 0.875 CB 0.977 9 residues pruned to eliminate duplicates Z: 25 12.903 1.797 0.754 0.535 0.708 0.333 CB 1.140 25 residues pruned to eliminate duplicates Z: 16 19.542 1.901 0.724 0.633 0.867 0.667 CA 1.568 16 residues pruned to eliminate duplicates Z: 15 11.345 1.617 0.530 0.737 1.000 0.643 CB 0.990 16 residues pruned to eliminate duplicates Z: 26 36.937 2.072 0.915 0.818 0.960 0.560 CB 1.472 26 residues pruned to eliminate duplicates Z: 27 28.822 2.016 0.785 0.736 0.923 0.308 CB 1.377 27 residues pruned to eliminate duplicates Z: 19 6.931 1.677 0.299 0.340 0.833 0.500 CB 1.071 19 residues pruned to eliminate duplicates Z: 9 4.490 1.525 0.422 0.402 0.750 0.625 C 1.081 Z: 8 5.534 1.514 0.618 0.305 1.000 0.429 CB 1.061 3 residues pruned to eliminate duplicates Z: 19 21.542 1.822 0.464 0.779 1.000 0.444 CA 1.488 18 residues pruned to eliminate duplicates 6 0.962 1.129 0.335 0.118 0.600 0.200 C 0.770 ? Z: 12 11.749 1.827 0.409 0.828 0.909 0.636 CB 1.140 12 residues pruned to eliminate duplicates Z: 7 3.845 1.433 0.744 0.381 0.833 0.500 CB 0.856 Z: 9 6.664 1.743 0.712 0.378 0.875 0.625 CB 1.028 10 residues pruned to eliminate duplicates Z: 27 17.334 1.702 0.662 0.674 0.846 0.462 CB 1.210 27 residues pruned to eliminate duplicates Z: 12 5.208 1.768 0.500 0.130 0.727 0.636 CB 1.293 10 residues pruned to eliminate duplicates Z: 8 10.893 1.728 0.553 0.824 0.857 0.714 CB 1.352 8 residues pruned to eliminate duplicates Z: 6 4.389 1.520 0.296 0.572 0.800 0.600 CB 1.162 6 residues pruned to eliminate duplicates Z: 20 18.526 2.077 0.444 0.543 0.895 0.421 CB 1.518 20 residues pruned to eliminate duplicates 6 1.651 1.363 0.302 0.142 0.600 0.600 O 1.080 ? Z: 17 11.295 1.675 0.656 0.517 0.875 0.750 CB 1.144 17 residues pruned to eliminate duplicates 7 1.217 1.464 0.020 0.486 0.667 0.500 CB 0.506 ? Z: 34 19.797 1.934 0.477 0.521 0.909 0.545 CB 1.300 34 residues pruned to eliminate duplicates Z: 13 8.773 1.907 0.450 0.507 0.833 0.750 CB 1.092 13 residues pruned to eliminate duplicates Z: 15 17.820 1.910 0.184 0.900 1.000 0.857 CB 1.504 15 residues pruned to eliminate duplicates Z: 44 49.837 2.261 0.648 0.762 0.977 0.837 CA 1.654 44 residues pruned to eliminate duplicates Z: 11 16.337 1.928 0.431 0.867 1.000 0.800 CB 1.370 11 residues pruned to eliminate duplicates Z: 19 17.929 2.194 0.723 0.497 0.944 0.500 CB 1.187 19 residues pruned to eliminate duplicates Z: 15 15.786 1.936 0.694 0.517 0.857 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 8 3.409 1.393 0.795 0.299 0.571 0.429 CA 1.129 8 residues pruned to eliminate duplicates Z: 10 6.935 1.574 0.457 0.480 0.889 0.444 N 1.156 Z: 25 14.921 2.195 0.362 0.304 0.875 0.458 CB 1.447 25 residues pruned to eliminate duplicates Z: 8 6.724 1.646 0.594 0.445 0.857 0.286 O 1.196 6 1.907 1.589 0.175 0.187 0.600 0.400 CB 1.108 ? Z: 18 16.965 1.674 0.663 0.882 0.941 0.647 CB 1.136 18 residues pruned to eliminate duplicates Z: 8 5.042 1.601 0.410 0.694 0.857 0.857 CB 0.825 15 residues pruned to eliminate duplicates Z: 9 14.354 1.979 0.468 0.761 1.000 0.875 CB 1.385 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 4.399 1.614 0.231 0.383 0.818 0.545 CB 0.924 Z: 8 7.448 1.587 0.466 0.542 1.000 0.571 CA 1.162 7 residues pruned to eliminate duplicates Z: 10 5.716 1.805 0.227 0.439 0.778 0.556 CB 1.178 10 residues pruned to eliminate duplicates Z: 11 10.115 1.755 0.557 0.552 0.900 0.600 CB 1.236 13 residues pruned to eliminate duplicates Z: 9 9.786 1.874 0.205 0.659 0.875 0.750 CB 1.510 9 residues pruned to eliminate duplicates Z: 10 7.664 1.839 0.177 0.606 0.889 0.778 CB 1.201 10 residues pruned to eliminate duplicates Z: 7 7.837 1.994 0.165 0.426 1.000 0.833 CB 1.488 7 residues pruned to eliminate duplicates Z: 9 11.767 2.006 0.283 0.634 1.000 0.750 CB 1.425 8 residues pruned to eliminate duplicates Z: 17 16.794 1.842 0.447 0.827 0.875 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 20 16.120 1.795 0.367 0.704 0.947 0.684 CB 1.322 20 residues pruned to eliminate duplicates Z: 18 18.989 1.871 0.531 0.746 0.941 0.471 CB 1.370 18 residues pruned to eliminate duplicates Z: 20 17.765 1.811 0.524 0.723 0.947 0.684 CB 1.275 20 residues pruned to eliminate duplicates Z: 19 18.107 1.901 0.536 0.726 0.833 0.611 CB 1.431 19 residues pruned to eliminate duplicates Z: 18 20.727 1.889 0.580 0.787 0.941 0.529 CB 1.391 18 residues pruned to eliminate duplicates Z: 17 24.337 1.846 0.600 0.871 1.000 0.812 CB 1.502 18 residues pruned to eliminate duplicates Z: 17 21.702 1.852 0.461 0.878 1.000 0.875 CA 1.455 17 residues pruned to eliminate duplicates Z: 20 15.851 1.804 0.532 0.725 0.789 0.474 CB 1.361 20 residues pruned to eliminate duplicates Z: 20 19.053 1.820 0.506 0.738 0.947 0.368 CB 1.360 17 residues pruned to eliminate duplicates Z: 17 25.677 1.900 0.730 0.853 0.938 0.625 CA 1.539 20 residues pruned to eliminate duplicates Z: 17 24.627 1.887 0.577 0.882 1.000 0.750 CB 1.497 17 residues pruned to eliminate duplicates Z: 17 24.419 1.869 0.636 0.838 1.000 0.688 CA 1.492 17 residues pruned to eliminate duplicates Z: 21 19.303 1.784 0.581 0.682 0.950 0.450 CB 1.362 17 residues pruned to eliminate duplicates Z: 17 21.932 1.865 0.551 0.846 0.938 0.625 CA 1.502 17 residues pruned to eliminate duplicates Z: 10 10.306 1.654 0.507 0.663 1.000 0.556 CB 1.185 12 residues pruned to eliminate duplicates Z: 9 10.395 1.724 0.510 0.834 1.000 0.750 CB 1.059 9 residues pruned to eliminate duplicates Z: 9 9.476 1.602 0.605 0.723 0.875 0.750 CB 1.217 9 residues pruned to eliminate duplicates Z: 9 14.502 1.706 0.874 0.750 1.000 0.750 N 1.282 9 residues pruned to eliminate duplicates Z: 9 8.298 1.656 0.725 0.648 0.875 0.500 CB 1.022 9 residues pruned to eliminate duplicates Z: 8 12.722 1.658 0.995 0.729 1.000 0.714 N 1.183 8 residues pruned to eliminate duplicates Z: 11 10.316 1.558 0.886 0.664 1.000 0.700 CB 0.954 11 residues pruned to eliminate duplicates Z: 6 3.740 1.543 0.073 0.618 0.800 0.400 CB 1.130 6 residues pruned to eliminate duplicates Z: 7 6.661 1.617 0.381 0.526 0.833 0.833 CB 1.424 8 residues pruned to eliminate duplicates Z: 15 26.945 1.876 0.943 0.856 1.000 0.643 CB 1.457 15 residues pruned to eliminate duplicates Z: 12 20.246 2.096 0.676 0.790 0.909 0.273 CB 1.482 12 residues pruned to eliminate duplicates Z: 19 13.286 1.779 0.650 0.541 0.833 0.278 CB 1.230 19 residues pruned to eliminate duplicates Z: 15 14.396 1.995 0.590 0.624 0.857 0.143 CB 1.259 15 residues pruned to eliminate duplicates Z: 16 17.551 1.920 0.695 0.665 0.933 0.400 CB 1.280 16 residues pruned to eliminate duplicates Z: 18 18.193 1.841 0.890 0.564 0.882 0.412 CA 1.351 18 residues pruned to eliminate duplicates Z: 15 16.149 2.007 0.715 0.616 0.857 0.571 CB 1.311 15 residues pruned to eliminate duplicates Z: 18 15.011 1.806 0.798 0.602 0.824 0.412 CB 1.236 18 residues pruned to eliminate duplicates Z: 16 23.550 1.850 0.830 0.742 1.000 0.400 CB 1.445 16 residues pruned to eliminate duplicates Z: 15 20.324 1.861 0.835 0.772 0.857 0.643 CB 1.458 15 residues pruned to eliminate duplicates Z: 8 3.413 1.726 0.180 0.573 0.714 0.714 CB 0.827 7 residues pruned to eliminate duplicates Z: 7 7.525 1.789 0.477 0.384 1.000 0.500 CA 1.316 7 residues pruned to eliminate duplicates Z: 37 25.411 1.955 0.751 0.620 0.861 0.528 CB 1.283 38 residues pruned to eliminate duplicates Z: 8 4.708 1.682 0.316 0.430 0.714 0.286 CB 1.210 8 residues pruned to eliminate duplicates Z: 15 9.855 1.848 0.677 0.411 0.857 0.643 CB 1.088 15 residues pruned to eliminate duplicates Z: 26 14.202 1.789 0.867 0.503 0.760 0.480 CB 1.115 37 residues pruned to eliminate duplicates Z: 8 7.130 1.860 0.386 0.563 1.000 0.857 CA 0.984 Z: 6 5.805 1.823 0.501 0.564 0.800 0.600 CA 1.115 6 residues pruned to eliminate duplicates Z: 8 5.400 1.744 0.753 0.682 0.571 0.429 CA 0.988 8 residues pruned to eliminate duplicates Z: 12 21.090 2.114 0.620 0.829 0.909 0.727 CB 1.536 12 residues pruned to eliminate duplicates Z: 13 18.815 1.985 0.452 0.844 0.917 0.750 CB 1.529 13 residues pruned to eliminate duplicates Z: 12 25.769 2.051 0.771 0.849 1.000 0.818 CB 1.585 12 residues pruned to eliminate duplicates Z: 15 18.284 1.819 0.623 0.759 0.929 0.714 CB 1.416 15 residues pruned to eliminate duplicates Z: 12 19.270 2.091 0.425 0.853 0.909 0.818 CB 1.586 12 residues pruned to eliminate duplicates Z: 12 20.567 2.049 0.672 0.828 0.909 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 13 17.905 1.933 0.697 0.809 0.917 0.917 CB 1.313 13 residues pruned to eliminate duplicates Z: 11 23.012 2.148 0.719 0.847 0.900 0.800 CB 1.625 11 residues pruned to eliminate duplicates Z: 9 10.314 2.018 0.485 0.539 1.000 0.625 CB 1.171 10 residues pruned to eliminate duplicates Z: 6 5.496 1.891 0.598 0.428 1.000 0.800 CB 0.877 6 residues pruned to eliminate duplicates Z: 10 12.024 2.156 0.475 0.596 0.778 0.778 CB 1.478 10 residues pruned to eliminate duplicates Z: 13 11.169 1.957 0.529 0.537 1.000 0.500 CB 1.039 11 residues pruned to eliminate duplicates Z: 11 21.069 2.213 0.573 0.717 0.900 0.800 CB 1.747 11 residues pruned to eliminate duplicates Z: 28 27.560 2.168 0.521 0.519 0.963 0.741 CB 1.640 28 residues pruned to eliminate duplicates Z: 15 24.564 2.272 0.832 0.557 0.929 0.643 CB 1.607 17 residues pruned to eliminate duplicates Z: 9 25.688 2.118 0.915 0.885 1.000 0.750 CB 1.617 9 residues pruned to eliminate duplicates Z: 26 28.040 2.205 0.670 0.548 0.920 0.560 CB 1.579 26 residues pruned to eliminate duplicates Z: 32 26.024 2.064 0.734 0.504 0.935 0.613 CB 1.390 31 residues pruned to eliminate duplicates Z: 9 17.337 2.141 0.710 0.824 0.875 0.750 CB 1.445 9 residues pruned to eliminate duplicates Z: 28 27.122 2.189 0.509 0.520 0.963 0.741 CB 1.609 28 residues pruned to eliminate duplicates Z: 31 26.089 2.147 0.606 0.501 0.900 0.600 CB 1.534 31 residues pruned to eliminate duplicates Z: 29 28.190 2.164 0.720 0.521 0.929 0.643 CB 1.510 29 residues pruned to eliminate duplicates Z: 31 24.924 2.085 0.675 0.435 0.900 0.667 CB 1.548 31 residues pruned to eliminate duplicates Z: 26 28.146 2.224 0.635 0.530 0.960 0.560 CB 1.566 26 residues pruned to eliminate duplicates Z: 26 15.746 2.031 0.607 0.394 0.840 0.440 CB 1.285 26 residues pruned to eliminate duplicates Z: 20 19.307 2.036 0.519 0.442 0.947 0.474 CB 1.606 20 residues pruned to eliminate duplicates Z: 6 5.649 1.546 0.768 0.370 1.000 1.000 N 1.062 6 residues pruned to eliminate duplicates Z: 28 15.656 2.032 0.610 0.373 0.852 0.481 CB 1.238 28 residues pruned to eliminate duplicates Z: 17 16.555 2.051 0.448 0.510 0.938 0.625 CB 1.472 17 residues pruned to eliminate duplicates Z: 31 26.620 2.131 0.663 0.512 0.900 0.533 CB 1.505 31 residues pruned to eliminate duplicates Z: 30 20.823 1.953 0.480 0.466 0.966 0.552 CB 1.435 30 residues pruned to eliminate duplicates Z: 35 21.468 2.065 0.544 0.426 0.853 0.500 CB 1.462 36 residues pruned to eliminate duplicates Z: 13 15.336 1.911 0.492 0.766 0.833 0.750 CB 1.472 16 residues pruned to eliminate duplicates Z: 17 14.003 1.724 0.471 0.699 1.000 0.438 CB 1.152 17 residues pruned to eliminate duplicates Z: 15 16.946 1.895 0.322 0.811 1.000 0.714 CB 1.378 15 residues pruned to eliminate duplicates Z: 44 19.727 1.983 0.598 0.359 0.814 0.442 CB 1.357 44 residues pruned to eliminate duplicates Z: 33 20.047 2.045 0.513 0.432 0.844 0.438 CB 1.456 33 residues pruned to eliminate duplicates Z: 49 26.589 2.033 0.731 0.468 0.854 0.500 CB 1.318 47 residues pruned to eliminate duplicates Z: 12 13.281 1.775 0.379 0.791 0.909 0.545 CB 1.394 12 residues pruned to eliminate duplicates Z: 35 28.015 2.087 0.578 0.495 0.912 0.471 CB 1.607 35 residues pruned to eliminate duplicates Z: 13 10.096 1.803 0.587 0.454 0.750 0.417 O 1.423 13 residues pruned to eliminate duplicates Z: 24 13.234 1.727 0.645 0.499 0.870 0.478 CB 1.118 24 residues pruned to eliminate duplicates Z: 15 10.854 1.733 0.686 0.380 0.786 0.429 CB 1.435 16 residues pruned to eliminate duplicates Z: 7 5.846 1.508 0.492 0.413 1.000 0.667 CA 1.162 7 residues pruned to eliminate duplicates Z: 18 11.638 1.693 0.678 0.486 0.824 0.471 N 1.223 18 residues pruned to eliminate duplicates Z: 12 11.394 1.909 0.601 0.448 0.818 0.545 CB 1.449 12 residues pruned to eliminate duplicates Z: 16 12.651 1.698 0.484 0.522 0.933 0.533 CB 1.360 16 residues pruned to eliminate duplicates Z: 15 10.937 1.776 0.573 0.437 0.786 0.286 CB 1.421 15 residues pruned to eliminate duplicates Z: 15 16.503 1.733 0.632 0.567 1.000 0.857 CB 1.461 15 residues pruned to eliminate duplicates Z: 17 12.114 1.701 0.677 0.396 0.875 0.562 N 1.354 17 residues pruned to eliminate duplicates Z: 31 21.438 2.001 0.434 0.520 0.900 0.633 CB 1.486 31 residues pruned to eliminate duplicates Z: 30 25.862 2.026 0.554 0.590 0.931 0.655 CB 1.504 30 residues pruned to eliminate duplicates Z: 32 21.946 1.989 0.544 0.555 0.839 0.581 CB 1.450 32 residues pruned to eliminate duplicates Z: 29 27.274 2.078 0.561 0.645 0.964 0.679 CB 1.439 29 residues pruned to eliminate duplicates Z: 28 22.374 2.051 0.529 0.594 0.889 0.630 CB 1.413 28 residues pruned to eliminate duplicates Z: 27 29.114 2.087 0.688 0.649 0.962 0.615 CB 1.467 27 residues pruned to eliminate duplicates Z: 28 27.200 2.067 0.683 0.592 1.000 0.519 CB 1.378 28 residues pruned to eliminate duplicates Z: 28 25.346 2.061 0.600 0.574 0.926 0.556 CB 1.487 28 residues pruned to eliminate duplicates Z: 30 22.222 1.989 0.540 0.629 0.931 0.586 CB 1.282 30 residues pruned to eliminate duplicates Z: 27 23.055 2.091 0.590 0.631 0.885 0.615 CB 1.359 27 residues pruned to eliminate duplicates Z: 29 26.049 1.995 0.602 0.596 0.929 0.607 CB 1.514 29 residues pruned to eliminate duplicates Z: 28 22.471 2.028 0.493 0.567 0.889 0.481 CB 1.506 28 residues pruned to eliminate duplicates Z: 28 26.269 2.046 0.725 0.613 0.963 0.407 CB 1.337 28 residues pruned to eliminate duplicates Z: 30 24.654 2.016 0.702 0.543 0.862 0.414 CB 1.484 30 residues pruned to eliminate duplicates Z: 29 24.109 2.021 0.784 0.594 0.929 0.500 CB 1.244 29 residues pruned to eliminate duplicates Z: 28 24.493 2.057 0.680 0.625 0.889 0.444 CB 1.364 28 residues pruned to eliminate duplicates Z: 28 25.133 2.066 0.630 0.615 0.889 0.593 CB 1.450 28 residues pruned to eliminate duplicates Z: 27 23.501 2.067 0.603 0.594 0.923 0.308 CB 1.379 27 residues pruned to eliminate duplicates Z: 27 25.835 2.024 0.721 0.603 0.885 0.385 CB 1.491 27 residues pruned to eliminate duplicates Z: 11 10.869 2.052 0.268 0.514 1.000 0.700 CB 1.303 11 residues pruned to eliminate duplicates Z: 30 26.058 2.034 0.704 0.586 0.931 0.655 CB 1.382 30 residues pruned to eliminate duplicates Z: 30 26.416 1.997 0.698 0.596 0.897 0.483 CB 1.473 30 residues pruned to eliminate duplicates Z: 29 28.656 2.052 0.704 0.666 0.929 0.607 CB 1.430 29 residues pruned to eliminate duplicates Z: 29 24.724 2.018 0.640 0.599 0.893 0.464 CB 1.438 29 residues pruned to eliminate duplicates Z: 29 27.717 2.013 0.769 0.606 0.929 0.500 CB 1.433 29 residues pruned to eliminate duplicates Z: 29 26.163 2.016 0.680 0.602 0.893 0.536 CB 1.484 29 residues pruned to eliminate duplicates Z: 48 32.303 1.980 0.654 0.650 0.872 0.617 CB 1.434 48 residues pruned to eliminate duplicates Z: 30 25.329 2.023 0.593 0.609 0.897 0.690 CB 1.468 30 residues pruned to eliminate duplicates Z: 40 28.520 1.974 0.617 0.657 0.897 0.462 CB 1.379 40 residues pruned to eliminate duplicates Z: 46 33.919 1.992 0.652 0.676 0.911 0.644 CB 1.434 46 residues pruned to eliminate duplicates Z: 48 26.932 1.948 0.619 0.640 0.830 0.511 CB 1.316 48 residues pruned to eliminate duplicates Z: 19 21.548 1.905 0.574 0.770 0.889 0.611 CB 1.501 19 residues pruned to eliminate duplicates Z: 58 36.295 1.947 0.595 0.690 0.930 0.491 CB 1.399 58 residues pruned to eliminate duplicates Z: 16 29.671 1.984 0.774 0.838 1.000 0.600 CB 1.626 16 residues pruned to eliminate duplicates Z: 18 25.600 1.921 0.746 0.844 0.941 0.824 CB 1.463 18 residues pruned to eliminate duplicates Z: 17 22.548 1.849 0.671 0.758 0.938 0.750 CB 1.547 17 residues pruned to eliminate duplicates Z: 45 30.321 1.954 0.649 0.641 0.886 0.545 CB 1.402 45 residues pruned to eliminate duplicates Z: 66 39.624 1.961 0.573 0.689 0.954 0.600 CB 1.405 66 residues pruned to eliminate duplicates Z: 25 25.209 1.846 0.643 0.781 0.875 0.417 CB 1.513 25 residues pruned to eliminate duplicates Z: 19 21.888 1.926 0.786 0.798 0.833 0.444 CB 1.386 19 residues pruned to eliminate duplicates Z: 19 27.418 1.918 0.938 0.829 0.944 0.444 CB 1.385 19 residues pruned to eliminate duplicates Z: 20 24.782 1.749 0.949 0.719 1.000 0.316 CA 1.368 20 residues pruned to eliminate duplicates Z: 85 44.599 1.980 0.619 0.672 0.952 0.571 CB 1.360 83 residues pruned to eliminate duplicates Z: 21 23.770 1.824 0.732 0.872 0.950 0.450 CB 1.291 21 residues pruned to eliminate duplicates Z: 30 22.703 1.916 0.594 0.663 0.931 0.552 CB 1.275 30 residues pruned to eliminate duplicates Z: 23 24.932 1.914 0.782 0.867 0.864 0.318 CB 1.320 23 residues pruned to eliminate duplicates Z: 29 29.085 1.891 0.698 0.780 1.000 0.357 CB 1.337 29 residues pruned to eliminate duplicates Z: 52 34.106 1.949 0.676 0.676 0.961 0.490 CB 1.294 52 residues pruned to eliminate duplicates Z: 30 25.595 1.917 0.547 0.664 0.966 0.621 CB 1.427 30 residues pruned to eliminate duplicates Z: 37 32.499 1.927 0.811 0.739 0.917 0.556 CB 1.367 37 residues pruned to eliminate duplicates Z: 33 20.929 1.939 0.525 0.547 0.875 0.469 CB 1.366 33 residues pruned to eliminate duplicates Z: 52 33.555 1.967 0.592 0.685 0.902 0.588 CB 1.404 52 residues pruned to eliminate duplicates Z: 38 34.185 1.958 0.785 0.741 0.946 0.459 CB 1.370 38 residues pruned to eliminate duplicates Z: 67 40.733 1.982 0.762 0.647 0.924 0.485 CB 1.354 67 residues pruned to eliminate duplicates Z: 37 34.569 2.010 0.707 0.742 0.944 0.528 CB 1.431 37 residues pruned to eliminate duplicates Z: 39 28.491 1.953 0.676 0.718 0.868 0.579 CB 1.334 39 residues pruned to eliminate duplicates Z: 40 29.275 1.965 0.698 0.697 0.872 0.410 CB 1.347 40 residues pruned to eliminate duplicates Z: 37 33.779 1.986 0.760 0.736 0.917 0.500 CB 1.421 37 residues pruned to eliminate duplicates Z: 33 22.794 1.879 0.712 0.622 0.812 0.562 CB 1.374 33 residues pruned to eliminate duplicates Z: 10 11.256 2.043 0.792 0.665 0.778 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 10 15.183 2.146 0.719 0.582 1.000 0.889 CB 1.267 10 residues pruned to eliminate duplicates Z: 68 40.881 1.972 0.762 0.646 0.910 0.567 CB 1.378 68 residues pruned to eliminate duplicates Z: 27 25.267 2.022 0.643 0.727 0.923 0.615 CB 1.316 27 residues pruned to eliminate duplicates Z: 26 23.137 2.006 0.690 0.714 0.880 0.640 CB 1.278 26 residues pruned to eliminate duplicates Z: 14 18.267 2.038 0.672 0.645 1.000 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 46 27.586 1.894 0.623 0.643 0.844 0.444 CB 1.386 46 residues pruned to eliminate duplicates Z: 33 20.978 2.018 0.376 0.634 0.875 0.688 CB 1.346 33 residues pruned to eliminate duplicates Z: 19 11.062 1.964 0.310 0.537 0.833 0.389 CB 1.173 19 residues pruned to eliminate duplicates Z: 18 15.008 1.960 0.159 0.712 1.000 0.647 CB 1.322 18 residues pruned to eliminate duplicates Z: 19 13.964 1.977 0.108 0.733 0.889 0.556 CB 1.372 19 residues pruned to eliminate duplicates Z: 14 16.323 1.885 0.334 0.734 0.923 0.615 CB 1.580 14 residues pruned to eliminate duplicates Z: 16 17.934 1.973 0.170 0.803 1.000 0.867 CB 1.539 16 residues pruned to eliminate duplicates Z: 19 15.387 2.027 0.263 0.734 0.833 0.667 CB 1.377 19 residues pruned to eliminate duplicates Z: 17 17.876 2.001 0.344 0.811 0.938 0.562 CB 1.353 17 residues pruned to eliminate duplicates Z: 19 20.154 1.981 0.613 0.724 0.833 0.667 CB 1.457 19 residues pruned to eliminate duplicates Z: 18 20.321 2.017 0.440 0.802 0.882 0.706 CB 1.478 18 residues pruned to eliminate duplicates Z: 20 19.273 2.057 0.342 0.720 0.947 0.579 CB 1.386 20 residues pruned to eliminate duplicates Z: 18 22.276 2.048 0.471 0.794 0.941 0.765 CB 1.472 18 residues pruned to eliminate duplicates Z: 18 17.759 1.930 0.521 0.726 0.824 0.588 CB 1.453 18 residues pruned to eliminate duplicates Z: 18 20.070 2.035 0.455 0.726 0.941 0.588 CB 1.425 18 residues pruned to eliminate duplicates Z: 17 20.183 2.080 0.444 0.791 0.875 0.625 CB 1.487 17 residues pruned to eliminate duplicates Z: 55 36.426 1.987 0.682 0.729 0.926 0.389 CB 1.303 55 residues pruned to eliminate duplicates Z: 20 18.875 1.972 0.495 0.703 0.895 0.474 CB 1.365 20 residues pruned to eliminate duplicates Z: 18 23.009 1.959 0.565 0.805 0.941 0.471 CB 1.482 18 residues pruned to eliminate duplicates Z: 21 17.865 1.948 0.485 0.668 0.900 0.800 CB 1.314 17 residues pruned to eliminate duplicates Z: 6 8.406 1.786 0.826 0.385 1.000 0.200 CB 1.302 7 residues pruned to eliminate duplicates Z: 18 22.960 1.997 0.554 0.767 0.941 0.824 CB 1.504 18 residues pruned to eliminate duplicates Z: 19 21.758 1.928 0.651 0.747 0.944 0.611 CB 1.367 19 residues pruned to eliminate duplicates Z: 20 20.364 1.904 0.576 0.736 0.895 0.579 CB 1.408 20 residues pruned to eliminate duplicates Z: 16 21.154 1.965 0.558 0.844 1.000 0.867 CB 1.328 16 residues pruned to eliminate duplicates Z: 20 18.272 1.957 0.603 0.692 0.842 0.474 CB 1.332 20 residues pruned to eliminate duplicates Z: 20 20.662 1.883 0.632 0.658 0.947 0.632 CB 1.406 20 residues pruned to eliminate duplicates Z: 17 25.320 1.975 0.800 0.812 1.000 0.812 CB 1.357 15 residues pruned to eliminate duplicates Z: 15 23.890 1.936 0.546 0.886 1.000 0.643 CA 1.539 15 residues pruned to eliminate duplicates Z: 18 24.638 1.958 0.779 0.743 0.941 0.706 CB 1.467 18 residues pruned to eliminate duplicates Z: 19 22.107 1.944 0.826 0.708 0.833 0.500 CB 1.458 19 residues pruned to eliminate duplicates Z: 20 23.487 1.965 0.733 0.752 0.895 0.789 CB 1.412 20 residues pruned to eliminate duplicates Z: 21 21.862 1.914 0.838 0.614 0.900 0.650 CB 1.386 21 residues pruned to eliminate duplicates Z: 20 20.108 1.894 0.764 0.633 0.842 0.684 CA 1.447 20 residues pruned to eliminate duplicates Z: 23 20.911 1.869 0.727 0.694 0.864 0.682 CB 1.339 23 residues pruned to eliminate duplicates Z: 21 21.785 1.934 0.726 0.651 0.900 0.600 CB 1.409 21 residues pruned to eliminate duplicates Z: 16 23.207 1.971 0.632 0.867 0.933 0.800 CB 1.460 16 residues pruned to eliminate duplicates Z: 29 14.517 1.750 0.954 0.589 0.786 0.179 CB 0.938 42 residues pruned to eliminate duplicates Z: 19 11.891 1.621 0.524 0.585 0.889 0.111 CB 1.176 17 residues pruned to eliminate duplicates Z: 15 9.665 1.657 0.402 0.763 0.929 0.714 CB 0.948 9 residues pruned to eliminate duplicates Z: 9 5.360 1.564 0.246 0.650 0.875 0.500 CB 0.967 9 residues pruned to eliminate duplicates Z: 15 12.484 1.733 0.293 0.608 1.000 0.643 CA 1.344 14 residues pruned to eliminate duplicates Z: 13 10.406 1.619 0.297 0.732 0.917 0.417 CB 1.267 13 residues pruned to eliminate duplicates Z: 13 16.810 1.795 0.394 0.856 1.000 0.833 CB 1.430 14 residues pruned to eliminate duplicates Z: 15 10.218 1.648 0.308 0.678 1.000 0.571 CB 1.076 15 residues pruned to eliminate duplicates Z: 15 10.791 1.727 0.400 0.641 0.857 0.429 CB 1.220 15 residues pruned to eliminate duplicates Z: 16 11.072 1.668 0.302 0.662 1.000 0.467 CB 1.133 16 residues pruned to eliminate duplicates Z: 10 8.270 1.756 0.350 0.761 0.778 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 13 11.698 1.946 0.448 0.795 0.917 0.667 CB 1.009 13 residues pruned to eliminate duplicates Z: 11 11.969 1.866 0.601 0.784 0.900 0.700 CB 1.097 11 residues pruned to eliminate duplicates Z: 16 7.166 1.819 0.272 0.458 0.800 0.467 CB 1.043 28 residues pruned to eliminate duplicates Z: 16 10.128 1.869 0.453 0.592 0.867 0.533 CB 1.017 16 residues pruned to eliminate duplicates Z: 33 22.456 2.128 0.502 0.598 0.875 0.406 CB 1.292 21 residues pruned to eliminate duplicates Z: 10 12.675 1.783 0.912 0.830 0.889 0.556 CB 1.049 10 residues pruned to eliminate duplicates Z: 13 12.225 1.876 0.711 0.681 0.833 0.333 CB 1.117 13 residues pruned to eliminate duplicates Z: 17 12.198 1.858 0.802 0.583 0.750 0.438 CB 1.121 13 residues pruned to eliminate duplicates Z: 11 13.903 2.027 0.680 0.839 0.900 0.400 CB 1.072 11 residues pruned to eliminate duplicates Z: 14 11.809 1.906 0.720 0.680 0.846 0.462 CB 1.000 14 residues pruned to eliminate duplicates Z: 15 11.667 1.785 0.610 0.669 0.857 0.786 CB 1.083 15 residues pruned to eliminate duplicates Z: 95 51.883 2.188 0.741 0.552 0.872 0.553 CB 1.530 95 residues pruned to eliminate duplicates Z: 96 58.490 2.204 0.818 0.568 0.905 0.600 CB 1.550 99 residues pruned to eliminate duplicates Z: 6 2.690 1.278 0.611 0.270 1.000 0.600 C 0.758 6 residues pruned to eliminate duplicates Z: 25 20.554 2.110 0.480 0.538 0.958 0.417 CB 1.351 25 residues pruned to eliminate duplicates Z: 27 19.599 2.029 0.466 0.506 0.885 0.462 CB 1.453 27 residues pruned to eliminate duplicates Z: 28 17.373 2.075 0.427 0.461 0.815 0.444 CB 1.441 28 residues pruned to eliminate duplicates Z: 54 31.798 2.195 0.631 0.413 0.887 0.491 CB 1.507 61 residues pruned to eliminate duplicates Z: 76 45.048 2.207 0.703 0.487 0.893 0.547 CB 1.569 76 residues pruned to eliminate duplicates Z: 48 30.304 2.230 0.641 0.374 0.894 0.553 CB 1.547 48 residues pruned to eliminate duplicates Z: 82 52.685 2.245 0.728 0.562 0.926 0.519 CB 1.535 82 residues pruned to eliminate duplicates Z: 86 47.581 2.199 0.721 0.520 0.882 0.506 CB 1.516 86 residues pruned to eliminate duplicates Z: 27 17.116 2.161 0.307 0.511 0.808 0.423 CB 1.456 27 residues pruned to eliminate duplicates Z: 100 56.529 2.188 0.689 0.553 0.939 0.646 CB 1.554 169 residues pruned to eliminate duplicates Z: 9 19.704 2.222 0.382 0.876 0.875 0.625 CA 1.884 9 residues pruned to eliminate duplicates Z: 21 21.066 2.205 0.343 0.628 0.900 0.500 CB 1.567 21 residues pruned to eliminate duplicates Z: 27 21.366 2.164 0.477 0.548 0.846 0.500 CB 1.479 27 residues pruned to eliminate duplicates Z: 87 54.981 2.244 0.755 0.570 0.895 0.686 CB 1.571 87 residues pruned to eliminate duplicates Z: 20 20.422 2.235 0.465 0.569 0.842 0.421 CB 1.589 20 residues pruned to eliminate duplicates Z: 53 24.303 2.159 0.500 0.403 0.865 0.442 CB 1.331 53 residues pruned to eliminate duplicates Z: 82 53.373 2.256 0.730 0.563 0.889 0.531 CB 1.607 82 residues pruned to eliminate duplicates Z: 29 20.473 2.017 0.594 0.472 0.821 0.500 CB 1.508 35 residues pruned to eliminate duplicates Z: 91 44.109 2.133 0.732 0.482 0.878 0.500 CB 1.461 91 residues pruned to eliminate duplicates Z: 72 42.184 2.195 0.736 0.524 0.873 0.662 CB 1.469 72 residues pruned to eliminate duplicates Z: 86 49.790 2.244 0.642 0.538 0.882 0.588 CB 1.600 86 residues pruned to eliminate duplicates Z: 78 51.919 2.250 0.738 0.539 0.909 0.649 CB 1.603 78 residues pruned to eliminate duplicates Z: 60 57.420 2.278 0.878 0.598 0.966 0.678 CB 1.646 60 residues pruned to eliminate duplicates Z: 62 47.518 2.233 0.707 0.561 0.934 0.689 CB 1.611 62 residues pruned to eliminate duplicates Z: 59 44.613 2.204 0.796 0.519 0.931 0.569 CB 1.559 59 residues pruned to eliminate duplicates Z: 83 52.746 2.237 0.658 0.568 0.927 0.683 CB 1.586 83 residues pruned to eliminate duplicates Z: 60 50.652 2.270 0.863 0.556 0.949 0.695 CB 1.555 60 residues pruned to eliminate duplicates Z: 57 45.584 2.254 0.887 0.495 0.893 0.679 CB 1.613 57 residues pruned to eliminate duplicates Z: 54 35.093 2.166 0.733 0.420 0.906 0.491 CB 1.541 54 residues pruned to eliminate duplicates Z: 31 22.004 2.181 0.676 0.340 0.933 0.567 CB 1.402 31 residues pruned to eliminate duplicates Z: 69 37.185 2.206 0.629 0.445 0.897 0.574 CB 1.480 69 residues pruned to eliminate duplicates Z: 48 39.047 2.283 0.908 0.428 0.915 0.660 CB 1.539 48 residues pruned to eliminate duplicates Z: 68 47.729 2.193 0.751 0.561 0.940 0.642 CB 1.523 68 residues pruned to eliminate duplicates Z: 69 57.165 2.222 0.833 0.635 0.941 0.691 CA 1.594 69 residues pruned to eliminate duplicates Z: 71 51.649 2.164 0.876 0.554 0.929 0.643 CB 1.554 71 residues pruned to eliminate duplicates Z: 68 44.695 2.163 0.746 0.551 0.896 0.672 CA 1.536 68 residues pruned to eliminate duplicates Z: 68 50.729 2.215 0.738 0.573 0.940 0.582 CB 1.596 68 residues pruned to eliminate duplicates Z: 72 43.722 2.235 0.759 0.484 0.845 0.535 CB 1.588 72 residues pruned to eliminate duplicates Z: 62 45.993 2.225 0.720 0.544 0.902 0.607 CB 1.634 62 residues pruned to eliminate duplicates Z: 53 32.155 2.226 0.530 0.439 0.923 0.423 CB 1.510 53 residues pruned to eliminate duplicates Z: 60 51.911 2.261 0.798 0.562 0.966 0.627 CB 1.620 60 residues pruned to eliminate duplicates Z: 67 47.196 2.212 0.697 0.559 0.909 0.682 CB 1.607 67 residues pruned to eliminate duplicates Z: 81 38.644 2.106 0.726 0.456 0.850 0.562 CB 1.463 81 residues pruned to eliminate duplicates Z: 67 51.393 2.212 0.815 0.556 0.939 0.485 CB 1.588 67 residues pruned to eliminate duplicates Z: 79 56.756 2.290 0.714 0.569 0.936 0.590 CB 1.637 79 residues pruned to eliminate duplicates Z: 81 55.198 2.279 0.714 0.559 0.925 0.600 CB 1.612 81 residues pruned to eliminate duplicates Z: 68 47.385 2.209 0.740 0.539 0.910 0.537 CA 1.593 68 residues pruned to eliminate duplicates Z: 37 49.305 2.325 0.813 0.751 0.944 0.750 CB 1.651 37 residues pruned to eliminate duplicates Z: 34 53.957 2.269 1.099 0.759 0.939 0.727 CB 1.668 34 residues pruned to eliminate duplicates Z: 48 45.986 2.287 0.979 0.461 0.957 0.617 CA 1.610 48 residues pruned to eliminate duplicates Z: 65 49.095 2.227 0.835 0.573 0.891 0.672 CA 1.572 65 residues pruned to eliminate duplicates Z: 40 47.795 2.211 0.978 0.712 0.897 0.667 CB 1.609 40 residues pruned to eliminate duplicates Z: 53 43.137 2.151 0.808 0.651 0.904 0.673 CA 1.479 53 residues pruned to eliminate duplicates Z: 40 47.409 2.105 1.086 0.674 0.949 0.615 CA 1.552 40 residues pruned to eliminate duplicates Z: 65 55.718 2.250 0.993 0.562 0.922 0.609 CB 1.587 65 residues pruned to eliminate duplicates Z: 35 57.042 2.250 1.083 0.729 1.000 0.706 CB 1.698 35 residues pruned to eliminate duplicates Z: 69 53.096 2.217 0.815 0.603 0.897 0.676 CA 1.618 69 residues pruned to eliminate duplicates Z: 65 55.521 2.230 0.833 0.622 0.938 0.703 CA 1.615 65 residues pruned to eliminate duplicates Z: 65 49.350 2.236 0.804 0.536 0.922 0.562 CA 1.601 65 residues pruned to eliminate duplicates Z: 65 49.750 2.182 0.897 0.548 0.953 0.516 CB 1.504 65 residues pruned to eliminate duplicates Z: 64 51.602 2.246 0.841 0.548 0.937 0.444 CB 1.602 64 residues pruned to eliminate duplicates Z: 41 47.087 2.196 0.820 0.678 0.950 0.700 CB 1.664 41 residues pruned to eliminate duplicates Z: 60 55.588 2.297 0.964 0.565 0.932 0.576 CB 1.616 60 residues pruned to eliminate duplicates Z: 61 53.577 2.255 0.988 0.548 0.933 0.583 CB 1.578 61 residues pruned to eliminate duplicates Z: 76 57.029 2.171 0.970 0.580 0.907 0.520 CB 1.573 76 residues pruned to eliminate duplicates Z: 75 54.188 2.178 0.900 0.581 0.959 0.514 CB 1.467 75 residues pruned to eliminate duplicates Z: 68 48.433 2.164 0.873 0.551 0.881 0.507 CB 1.577 68 residues pruned to eliminate duplicates Z: 43 45.902 2.158 0.980 0.661 0.952 0.548 CB 1.499 43 residues pruned to eliminate duplicates Z: 80 53.144 2.262 0.838 0.567 0.899 0.544 CB 1.499 80 residues pruned to eliminate duplicates Z: 84 56.296 2.232 0.825 0.548 0.904 0.458 CB 1.602 84 residues pruned to eliminate duplicates Z: 69 54.799 2.202 0.849 0.587 0.956 0.500 CB 1.571 69 residues pruned to eliminate duplicates Z: 38 51.642 2.209 1.310 0.676 0.919 0.568 CB 1.540 38 residues pruned to eliminate duplicates Z: 28 37.193 2.081 0.833 0.803 0.963 0.481 CB 1.496 28 residues pruned to eliminate duplicates Z: 46 46.792 2.204 0.946 0.637 0.933 0.422 CB 1.532 46 residues pruned to eliminate duplicates Z: 41 52.206 2.171 1.099 0.734 0.950 0.500 CB 1.545 41 residues pruned to eliminate duplicates Z: 72 53.274 2.163 0.906 0.589 0.930 0.592 CB 1.515 72 residues pruned to eliminate duplicates Z: 68 51.721 2.191 0.886 0.577 0.925 0.388 CB 1.534 68 residues pruned to eliminate duplicates Z: 16 23.511 1.901 0.960 0.724 0.867 0.600 CA 1.535 16 residues pruned to eliminate duplicates Z: 18 23.073 1.877 0.720 0.733 0.941 0.412 CB 1.495 18 residues pruned to eliminate duplicates Z: 68 58.285 2.219 0.954 0.621 0.955 0.552 CB 1.533 68 residues pruned to eliminate duplicates Z: 42 48.440 2.141 1.186 0.738 0.878 0.488 CB 1.487 42 residues pruned to eliminate duplicates Z: 68 55.723 2.205 0.976 0.604 0.940 0.448 CB 1.505 68 residues pruned to eliminate duplicates Z: 87 53.861 2.214 0.811 0.589 0.872 0.512 CB 1.525 87 residues pruned to eliminate duplicates Z: 8 8.191 1.732 0.350 0.687 0.857 0.286 CA 1.302 8 residues pruned to eliminate duplicates Z: 69 56.229 2.218 0.939 0.575 0.956 0.441 CB 1.543 69 residues pruned to eliminate duplicates Z: 70 44.390 2.131 0.820 0.568 0.884 0.464 CB 1.459 70 residues pruned to eliminate duplicates Z: 44 31.056 2.082 0.987 0.626 0.767 0.279 CB 1.324 44 residues pruned to eliminate duplicates Z: 15 14.696 1.818 0.827 0.711 0.786 0.429 CB 1.244 15 residues pruned to eliminate duplicates Z: 49 36.511 2.136 0.958 0.628 0.833 0.479 CB 1.341 49 residues pruned to eliminate duplicates Z: 101 62.316 2.145 0.865 0.689 0.900 0.570 CB 1.455 101 residues pruned to eliminate duplicates Z: 90 45.627 2.143 0.624 0.503 0.933 0.528 CB 1.485 90 residues pruned to eliminate duplicates Z: 68 60.069 2.255 0.930 0.579 1.000 0.627 CA 1.562 68 residues pruned to eliminate duplicates Z: 64 46.995 2.132 0.616 0.730 0.937 0.683 CB 1.492 64 residues pruned to eliminate duplicates Z: 50 58.933 2.252 0.939 0.791 0.980 0.816 CA 1.525 50 residues pruned to eliminate duplicates Z: 40 56.890 2.284 1.099 0.712 0.949 0.641 CB 1.653 40 residues pruned to eliminate duplicates Z: 58 53.152 2.258 0.953 0.603 0.930 0.579 CB 1.556 58 residues pruned to eliminate duplicates Z: 37 45.355 2.227 0.845 0.753 0.944 0.806 CB 1.554 37 residues pruned to eliminate duplicates Z: 40 42.737 2.194 0.912 0.696 0.949 0.692 CB 1.439 40 residues pruned to eliminate duplicates Z: 45 53.175 2.225 0.873 0.780 0.932 0.818 CA 1.612 45 residues pruned to eliminate duplicates Z: 44 50.992 2.154 0.893 0.702 0.977 0.698 CB 1.625 44 residues pruned to eliminate duplicates Z: 54 59.119 2.211 0.857 0.806 0.962 0.811 CB 1.574 54 residues pruned to eliminate duplicates Z: 41 55.994 2.294 1.086 0.691 0.925 0.650 CA 1.679 41 residues pruned to eliminate duplicates Z: 42 49.354 2.259 1.198 0.663 0.854 0.585 CB 1.564 42 residues pruned to eliminate duplicates Z: 47 45.015 2.152 0.992 0.683 0.891 0.609 CB 1.468 47 residues pruned to eliminate duplicates Z: 60 56.873 2.135 0.836 0.755 0.983 0.746 CB 1.531 60 residues pruned to eliminate duplicates Z: 65 51.420 2.226 0.895 0.569 0.906 0.469 CB 1.572 65 residues pruned to eliminate duplicates Z: 58 53.278 2.149 0.861 0.764 0.912 0.702 CB 1.531 58 residues pruned to eliminate duplicates Z: 58 62.846 2.201 0.887 0.796 0.982 0.684 CB 1.575 58 residues pruned to eliminate duplicates Z: 46 59.243 2.224 1.003 0.809 0.978 0.689 CB 1.549 46 residues pruned to eliminate duplicates Z: 102 62.994 2.206 0.776 0.610 0.921 0.584 CB 1.566 102 residues pruned to eliminate duplicates Z: 62 52.983 2.153 0.731 0.764 0.951 0.770 CB 1.514 62 residues pruned to eliminate duplicates Z: 27 27.908 2.290 0.732 0.541 0.885 0.462 CA 1.499 27 residues pruned to eliminate duplicates Z: 26 40.921 2.335 1.210 0.577 0.880 0.360 CA 1.674 26 residues pruned to eliminate duplicates Z: 58 38.998 2.179 0.780 0.408 0.912 0.474 CB 1.608 58 residues pruned to eliminate duplicates Z: 64 43.940 2.213 0.770 0.480 0.921 0.603 CB 1.566 64 residues pruned to eliminate duplicates Z: 13 9.581 1.792 0.583 0.321 0.917 0.417 CB 1.295 Z: 6 3.223 1.854 -0.012 0.362 0.800 0.800 CB 1.141 6 residues pruned to eliminate duplicates Z: 102 58.094 2.180 0.693 0.603 0.941 0.564 CB 1.509 115 residues pruned to eliminate duplicates Z: 87 52.754 2.203 0.560 0.587 0.965 0.686 CB 1.577 87 residues pruned to eliminate duplicates Z: 71 45.217 2.214 0.729 0.508 0.929 0.614 CB 1.508 71 residues pruned to eliminate duplicates Z: 103 56.585 2.201 0.710 0.617 0.902 0.559 CB 1.477 103 residues pruned to eliminate duplicates Z: 32 19.379 2.115 0.567 0.288 0.871 0.581 CB 1.530 Z: 9 9.307 1.789 0.280 0.483 1.000 0.500 CA 1.461 9 residues pruned to eliminate duplicates Z: 76 47.046 2.191 0.737 0.534 0.907 0.613 CB 1.523 108 residues pruned to eliminate duplicates Z: 22 14.474 2.123 0.410 0.324 0.810 0.238 CB 1.581 Z: 72 55.029 2.237 0.735 0.604 0.944 0.732 CA 1.615 94 residues pruned to eliminate duplicates Z: 43 27.956 2.181 0.565 0.415 0.905 0.381 CB 1.527 Z: 9 19.916 1.861 0.979 0.698 1.000 0.625 CA 1.596 15 residues pruned to eliminate duplicates Z: 11 12.300 1.788 0.747 0.461 0.900 0.300 CA 1.439 11 residues pruned to eliminate duplicates Z: 36 18.760 2.113 0.510 0.409 0.857 0.571 CB 1.275 36 residues pruned to eliminate duplicates Z: 18 17.633 2.255 0.518 0.325 0.941 0.412 CA 1.610 14 residues pruned to eliminate duplicates Z: 10 13.436 2.179 0.504 0.462 1.000 0.667 CA 1.422 10 residues pruned to eliminate duplicates Z: 70 59.205 2.249 0.888 0.601 0.942 0.638 CA 1.619 111 residues pruned to eliminate duplicates Z: 30 22.346 2.192 0.607 0.349 0.862 0.414 CB 1.610 30 residues pruned to eliminate duplicates Z: 56 30.050 2.155 0.535 0.493 0.855 0.509 CB 1.444 Z: 7 4.289 1.783 0.556 0.470 0.833 0.667 CB 0.780 8 residues pruned to eliminate duplicates Z: 54 29.351 2.158 0.538 0.444 0.887 0.340 CB 1.451 54 residues pruned to eliminate duplicates Z: 30 24.318 2.136 0.667 0.379 0.931 0.517 CB 1.551 85 residues pruned to eliminate duplicates Z: 54 51.920 2.201 0.823 0.741 0.943 0.585 CB 1.518 54 residues pruned to eliminate duplicates Z: 46 61.118 2.192 1.140 0.759 0.978 0.556 CB 1.578 46 residues pruned to eliminate duplicates Z: 16 19.416 2.106 1.057 0.577 0.867 0.600 CB 1.239 16 residues pruned to eliminate duplicates Z: 59 44.071 2.185 1.008 0.502 0.879 0.379 CB 1.498 59 residues pruned to eliminate duplicates Z: 45 44.480 2.116 1.053 0.678 0.909 0.386 CB 1.442 45 residues pruned to eliminate duplicates Z: 42 47.966 2.216 0.940 0.708 0.878 0.659 CB 1.642 42 residues pruned to eliminate duplicates Z: 24 25.451 2.015 0.433 0.795 0.913 0.652 CA 1.554 24 residues pruned to eliminate duplicates Z: 53 46.314 2.142 0.802 0.707 0.923 0.558 CB 1.493 53 residues pruned to eliminate duplicates Z: 19 18.447 1.936 0.505 0.706 0.833 0.500 CA 1.485 19 residues pruned to eliminate duplicates Z: 58 58.276 2.180 0.980 0.757 0.965 0.439 CB 1.475 58 residues pruned to eliminate duplicates Z: 51 51.809 2.168 1.088 0.734 0.920 0.420 CB 1.426 51 residues pruned to eliminate duplicates Z: 60 52.210 2.156 0.848 0.752 0.932 0.576 CB 1.462 60 residues pruned to eliminate duplicates Z: 59 57.002 2.185 0.952 0.753 0.931 0.397 CB 1.505 65 residues pruned to eliminate duplicates Z: 49 38.660 2.106 0.683 0.684 0.896 0.562 CB 1.484 49 residues pruned to eliminate duplicates Z: 50 51.681 2.193 0.842 0.713 0.959 0.694 CB 1.571 50 residues pruned to eliminate duplicates Z: 64 51.083 2.113 0.910 0.710 0.921 0.444 CB 1.432 64 residues pruned to eliminate duplicates Z: 57 57.488 2.160 1.002 0.761 0.982 0.500 CB 1.434 57 residues pruned to eliminate duplicates Z: 56 53.250 2.160 1.089 0.719 0.909 0.382 CB 1.436 56 residues pruned to eliminate duplicates Z: 60 56.786 2.146 0.957 0.768 0.966 0.458 CB 1.437 60 residues pruned to eliminate duplicates Z: 59 58.270 2.180 1.067 0.771 0.966 0.466 CB 1.384 59 residues pruned to eliminate duplicates Z: 28 29.942 2.000 0.592 0.774 0.963 0.593 CB 1.474 28 residues pruned to eliminate duplicates Z: 15 11.055 1.781 0.523 0.669 0.929 0.500 CB 1.004 15 residues pruned to eliminate duplicates Z: 28 30.881 1.960 0.785 0.772 0.963 0.333 CB 1.387 28 residues pruned to eliminate duplicates Z: 30 28.115 1.989 0.782 0.740 0.897 0.483 CB 1.325 30 residues pruned to eliminate duplicates Z: 53 43.151 2.098 1.036 0.717 0.904 0.404 CB 1.274 53 residues pruned to eliminate duplicates Z: 55 33.158 1.972 0.654 0.661 0.907 0.537 CB 1.313 25 residues pruned to eliminate duplicates Z: 11 17.862 1.941 0.430 0.862 1.000 0.500 CB 1.495 11 residues pruned to eliminate duplicates Z: 32 32.970 2.003 0.862 0.802 0.903 0.613 CB 1.350 32 residues pruned to eliminate duplicates Z: 32 25.862 1.962 0.652 0.810 0.871 0.387 CB 1.256 32 residues pruned to eliminate duplicates Z: 59 54.378 2.165 0.885 0.770 0.966 0.362 CB 1.426 59 residues pruned to eliminate duplicates Z: 13 13.254 1.967 0.255 0.767 0.917 0.500 CB 1.335 13 residues pruned to eliminate duplicates Z: 41 22.360 1.959 0.481 0.616 0.900 0.725 CB 1.213 41 residues pruned to eliminate duplicates Z: 31 21.339 1.911 0.588 0.625 0.933 0.667 CB 1.223 31 residues pruned to eliminate duplicates Z: 139 64.193 2.148 0.708 0.574 0.942 0.609 CB 1.472 65 residues pruned to eliminate duplicates Z: 12 20.273 1.826 0.961 0.737 0.909 0.727 CB 1.518 12 residues pruned to eliminate duplicates Z: 48 28.628 2.068 0.624 0.517 0.872 0.489 CB 1.402 48 residues pruned to eliminate duplicates Z: 27 23.484 2.133 0.431 0.662 0.962 0.577 CB 1.351 27 residues pruned to eliminate duplicates Z: 8 9.560 1.922 0.383 0.775 0.857 0.857 CA 1.244 8 residues pruned to eliminate duplicates Z: 13 15.307 2.108 0.508 0.697 0.917 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 104 52.215 2.165 0.635 0.574 0.922 0.641 CB 1.466 104 residues pruned to eliminate duplicates Z: 36 19.790 2.069 0.484 0.565 0.800 0.543 CB 1.278 36 residues pruned to eliminate duplicates Z: 35 20.535 2.054 0.461 0.571 0.882 0.647 CB 1.243 35 residues pruned to eliminate duplicates Z: 29 23.803 2.068 0.529 0.643 0.857 0.643 CB 1.452 29 residues pruned to eliminate duplicates Z: 35 22.573 2.055 0.660 0.616 0.853 0.529 CB 1.192 35 residues pruned to eliminate duplicates Z: 61 28.839 2.062 0.699 0.405 0.867 0.333 CB 1.356 61 residues pruned to eliminate duplicates Z: 28 27.261 2.102 0.658 0.654 0.926 0.556 CB 1.410 28 residues pruned to eliminate duplicates Z: 17 17.495 2.074 0.412 0.651 0.938 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 26 20.223 2.055 0.386 0.621 0.960 0.680 CB 1.319 26 residues pruned to eliminate duplicates Z: 94 57.502 2.196 0.693 0.594 0.946 0.688 CB 1.549 94 residues pruned to eliminate duplicates Z: 14 13.333 1.984 0.194 0.700 1.000 0.769 CB 1.300 14 residues pruned to eliminate duplicates Z: 34 25.179 2.135 0.512 0.613 0.939 0.485 CB 1.299 34 residues pruned to eliminate duplicates Z: 37 21.418 2.083 0.397 0.493 0.889 0.556 CB 1.390 37 residues pruned to eliminate duplicates Z: 90 55.213 2.200 0.615 0.596 0.955 0.640 CB 1.573 90 residues pruned to eliminate duplicates Z: 12 14.595 2.081 0.351 0.853 1.000 0.909 CB 1.157 12 residues pruned to eliminate duplicates Z: 61 34.293 2.128 0.628 0.451 0.917 0.550 CB 1.466 61 residues pruned to eliminate duplicates Z: 23 18.314 1.858 0.591 0.631 0.864 0.636 CB 1.353 23 residues pruned to eliminate duplicates Z: 14 21.988 1.915 0.973 0.804 0.846 0.692 CA 1.463 14 residues pruned to eliminate duplicates Z: 15 19.973 1.879 0.691 0.782 0.857 0.714 N 1.529 15 residues pruned to eliminate duplicates Z: 22 23.450 1.909 0.762 0.649 0.905 0.762 CB 1.464 22 residues pruned to eliminate duplicates Z: 13 22.577 2.003 0.680 0.899 0.917 0.917 N 1.510 13 residues pruned to eliminate duplicates Z: 19 19.015 1.795 0.438 0.728 1.000 0.778 CB 1.415 19 residues pruned to eliminate duplicates Z: 22 25.305 1.911 0.749 0.674 1.000 0.667 CB 1.408 22 residues pruned to eliminate duplicates Z: 13 22.184 1.924 0.680 0.859 0.917 0.583 CA 1.591 13 residues pruned to eliminate duplicates Z: 22 18.974 1.879 0.567 0.652 0.905 0.667 CB 1.348 22 residues pruned to eliminate duplicates Z: 24 16.846 1.868 0.466 0.646 0.870 0.696 CB 1.287 24 residues pruned to eliminate duplicates Z: 15 22.881 1.933 0.856 0.754 0.857 0.571 N 1.586 15 residues pruned to eliminate duplicates Z: 23 18.352 1.859 0.817 0.559 0.773 0.500 CB 1.416 23 residues pruned to eliminate duplicates Z: 22 20.300 1.909 0.559 0.644 0.952 0.619 CB 1.366 22 residues pruned to eliminate duplicates Z: 16 26.232 1.927 0.833 0.716 1.000 0.533 N 1.576 16 residues pruned to eliminate duplicates Z: 22 24.294 1.912 0.683 0.674 1.000 0.667 CB 1.403 22 residues pruned to eliminate duplicates Z: 24 18.844 1.867 0.826 0.604 0.957 0.565 CB 1.091 24 residues pruned to eliminate duplicates Z: 8 4.959 1.746 0.438 0.428 1.000 0.571 CB 0.805 8 residues pruned to eliminate duplicates Z: 15 11.686 1.582 0.177 0.923 1.000 0.857 O 1.179 15 residues pruned to eliminate duplicates Z: 16 14.622 1.743 0.207 0.874 1.000 0.733 CB 1.307 16 residues pruned to eliminate duplicates Z: 9 9.242 1.719 0.058 0.789 1.000 1.000 CA 1.393 9 residues pruned to eliminate duplicates Z: 17 15.263 1.722 0.343 0.847 0.938 0.750 O 1.307 17 residues pruned to eliminate duplicates Z: 16 16.679 1.809 0.296 0.879 0.933 0.933 CB 1.427 16 residues pruned to eliminate duplicates Z: 18 17.148 1.721 0.247 0.933 1.000 1.000 CB 1.353 18 residues pruned to eliminate duplicates Z: 13 7.102 1.501 0.129 0.730 0.833 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 16 12.656 1.797 0.041 0.855 0.933 0.867 CB 1.381 16 residues pruned to eliminate duplicates Z: 19 18.671 1.715 0.308 0.892 1.000 0.944 CB 1.410 19 residues pruned to eliminate duplicates Z: 18 18.816 1.762 0.419 0.900 0.941 0.882 CB 1.385 18 residues pruned to eliminate duplicates Z: 18 19.677 1.720 0.423 0.885 1.000 0.706 CB 1.408 18 residues pruned to eliminate duplicates Z: 15 15.144 1.815 0.191 0.916 1.000 0.857 CB 1.322 15 residues pruned to eliminate duplicates Z: 16 20.802 1.746 0.553 0.938 1.000 0.867 CB 1.377 16 residues pruned to eliminate duplicates Z: 20 17.082 1.750 0.331 0.914 0.895 0.789 CB 1.330 20 residues pruned to eliminate duplicates Z: 16 16.320 1.802 0.233 0.935 1.000 0.800 CB 1.322 16 residues pruned to eliminate duplicates Z: 13 6.527 1.603 0.246 0.551 0.750 0.500 CB 1.197 13 residues pruned to eliminate duplicates Z: 16 15.563 1.683 0.671 0.810 1.000 0.800 CB 1.092 16 residues pruned to eliminate duplicates Z: 7 7.186 1.679 0.584 0.510 0.833 0.667 CB 1.311 7 residues pruned to eliminate duplicates Z: 13 12.275 1.743 0.399 0.740 1.000 0.667 CB 1.172 13 residues pruned to eliminate duplicates Z: 21 20.391 1.744 0.543 0.877 1.000 0.450 CB 1.231 21 residues pruned to eliminate duplicates Z: 12 16.325 1.846 0.759 0.807 1.000 0.818 CB 1.160 12 residues pruned to eliminate duplicates Z: 6 5.183 1.894 0.640 0.262 0.800 0.800 CB 1.224 6 residues pruned to eliminate duplicates Z: 10 9.182 2.236 0.530 0.262 0.778 0.333 CB 1.509 10 residues pruned to eliminate duplicates Z: 14 14.621 2.110 0.515 0.551 0.923 0.538 CB 1.308 14 residues pruned to eliminate duplicates Z: 9 15.817 1.845 0.805 0.875 1.000 0.875 CB 1.221 9 residues pruned to eliminate duplicates Z: 9 18.616 1.984 0.622 0.854 1.000 0.750 CB 1.511 10 residues pruned to eliminate duplicates Z: 10 18.865 1.859 0.833 0.882 1.000 0.667 CB 1.335 9 residues pruned to eliminate duplicates Z: 10 20.436 1.914 0.783 0.890 1.000 0.778 CB 1.436 11 residues pruned to eliminate duplicates Z: 8 17.449 1.869 0.915 0.878 1.000 0.714 CB 1.338 8 residues pruned to eliminate duplicates Z: 17 14.299 1.912 0.735 0.490 0.812 0.500 CB 1.339 17 residues pruned to eliminate duplicates Z: 14 23.306 2.129 0.742 0.654 1.000 0.692 CB 1.510 14 residues pruned to eliminate duplicates Z: 10 17.493 1.861 0.782 0.870 1.000 0.667 CB 1.283 9 residues pruned to eliminate duplicates Z: 6 4.457 1.438 0.710 0.323 1.000 0.600 CB 0.985 6 residues pruned to eliminate duplicates Z: 37 19.782 1.870 0.524 0.550 0.889 0.611 CB 1.240 37 residues pruned to eliminate duplicates Z: 6 5.165 1.725 0.654 0.272 0.800 0.600 CA 1.312 6 residues pruned to eliminate duplicates Z: 40 28.406 2.005 0.438 0.634 0.974 0.641 CB 1.428 40 residues pruned to eliminate duplicates Z: 49 27.144 1.963 0.620 0.547 0.896 0.646 CB 1.313 49 residues pruned to eliminate duplicates Z: 39 31.125 2.065 0.505 0.680 0.947 0.763 CB 1.453 39 residues pruned to eliminate duplicates Z: 42 28.908 1.996 0.452 0.619 0.976 0.756 CB 1.427 42 residues pruned to eliminate duplicates Z: 49 29.211 1.980 0.510 0.610 0.938 0.792 CB 1.355 49 residues pruned to eliminate duplicates Z: 29 32.126 2.105 0.786 0.618 0.929 0.643 CB 1.556 29 residues pruned to eliminate duplicates Z: 20 28.196 2.021 0.796 0.733 1.000 0.526 CB 1.446 20 residues pruned to eliminate duplicates Z: 28 35.650 2.103 0.810 0.644 1.000 0.667 CB 1.575 28 residues pruned to eliminate duplicates Z: 63 30.328 1.928 0.518 0.565 0.935 0.613 CB 1.321 64 residues pruned to eliminate duplicates Z: 14 21.559 1.873 0.782 0.921 1.000 0.692 CB 1.261 14 residues pruned to eliminate duplicates Z: 38 30.309 2.053 0.578 0.601 0.946 0.649 CB 1.476 38 residues pruned to eliminate duplicates Z: 57 28.374 1.959 0.493 0.578 0.911 0.679 CB 1.320 57 residues pruned to eliminate duplicates Z: 29 33.902 2.103 0.793 0.581 1.000 0.643 CB 1.571 29 residues pruned to eliminate duplicates Z: 44 29.302 2.045 0.526 0.606 0.930 0.721 CB 1.391 44 residues pruned to eliminate duplicates Z: 62 30.640 1.930 0.569 0.570 0.918 0.705 CB 1.319 62 residues pruned to eliminate duplicates Z: 41 34.313 2.031 0.613 0.670 0.975 0.800 CB 1.452 41 residues pruned to eliminate duplicates Z: 45 29.572 1.947 0.605 0.628 0.932 0.659 CB 1.358 45 residues pruned to eliminate duplicates Z: 62 28.185 1.932 0.438 0.557 0.902 0.656 CB 1.363 62 residues pruned to eliminate duplicates Z: 41 35.373 2.059 0.633 0.648 0.975 0.725 CB 1.486 41 residues pruned to eliminate duplicates Z: 49 30.345 2.029 0.588 0.613 0.917 0.729 CB 1.331 49 residues pruned to eliminate duplicates Z: 34 27.476 1.999 0.630 0.663 0.970 0.606 CB 1.302 34 residues pruned to eliminate duplicates Z: 61 29.155 1.940 0.592 0.533 0.900 0.600 CB 1.311 61 residues pruned to eliminate duplicates Z: 55 27.256 1.956 0.630 0.571 0.852 0.630 CB 1.275 55 residues pruned to eliminate duplicates Z: 45 27.313 1.941 0.548 0.618 0.886 0.545 CB 1.382 45 residues pruned to eliminate duplicates Z: 41 34.957 2.050 0.630 0.644 0.975 0.675 CB 1.483 41 residues pruned to eliminate duplicates Z: 61 24.848 1.890 0.524 0.528 0.883 0.600 CB 1.226 61 residues pruned to eliminate duplicates Z: 40 34.380 2.053 0.641 0.643 1.000 0.692 CB 1.430 40 residues pruned to eliminate duplicates Z: 40 27.684 2.041 0.448 0.610 0.923 0.718 CB 1.464 40 residues pruned to eliminate duplicates Z: 64 26.522 1.898 0.499 0.544 0.873 0.619 CB 1.288 64 residues pruned to eliminate duplicates Z: 39 26.135 2.027 0.594 0.609 0.947 0.632 CB 1.250 39 residues pruned to eliminate duplicates Z: 42 31.546 1.992 0.565 0.604 0.976 0.780 CB 1.468 42 residues pruned to eliminate duplicates Z: 16 15.320 1.818 0.529 0.856 0.867 0.867 CB 1.211 16 residues pruned to eliminate duplicates Z: 22 18.744 1.981 0.585 0.524 0.905 0.714 CB 1.406 22 residues pruned to eliminate duplicates Z: 30 18.205 1.929 0.667 0.475 0.828 0.552 CB 1.302 30 residues pruned to eliminate duplicates Z: 63 29.353 1.916 0.661 0.528 0.887 0.645 CB 1.284 63 residues pruned to eliminate duplicates Z: 28 20.019 2.062 0.577 0.393 0.889 0.444 CB 1.493 26 residues pruned to eliminate duplicates Z: 10 11.631 2.126 0.384 0.586 0.778 0.333 CB 1.559 10 residues pruned to eliminate duplicates Z: 24 16.592 2.054 0.731 0.436 0.783 0.391 CB 1.329 24 residues pruned to eliminate duplicates Z: 26 23.436 2.081 0.787 0.531 0.880 0.440 CB 1.388 29 residues pruned to eliminate duplicates Z: 9 20.689 2.070 0.827 0.870 0.875 0.500 CA 1.613 9 residues pruned to eliminate duplicates Z: 31 19.583 2.069 0.564 0.438 0.800 0.533 CB 1.473 31 residues pruned to eliminate duplicates Z: 22 14.521 2.105 0.391 0.456 0.857 0.619 CB 1.322 22 residues pruned to eliminate duplicates Z: 22 20.223 2.132 0.605 0.507 0.810 0.667 CA 1.582 22 residues pruned to eliminate duplicates Z: 22 16.436 2.073 0.412 0.487 0.857 0.524 CB 1.448 22 residues pruned to eliminate duplicates Z: 41 25.028 2.088 0.722 0.396 0.900 0.500 CB 1.364 41 residues pruned to eliminate duplicates Z: 25 25.535 2.124 0.796 0.550 0.875 0.458 CB 1.487 24 residues pruned to eliminate duplicates Z: 10 7.137 1.628 0.564 0.479 0.778 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 13 8.942 1.903 0.512 0.289 0.750 0.250 O 1.516 13 residues pruned to eliminate duplicates Z: 18 13.170 1.969 0.621 0.342 0.765 0.353 CB 1.554 18 residues pruned to eliminate duplicates Z: 16 14.943 2.031 0.508 0.527 0.800 0.733 CB 1.534 16 residues pruned to eliminate duplicates Z: 27 14.841 1.964 0.483 0.438 0.808 0.500 CB 1.319 27 residues pruned to eliminate duplicates Z: 38 15.379 1.827 0.708 0.356 0.838 0.405 CB 1.130 38 residues pruned to eliminate duplicates Z: 26 26.061 2.124 0.789 0.569 0.880 0.480 CB 1.459 26 residues pruned to eliminate duplicates Z: 17 16.692 1.978 0.766 0.484 0.875 0.500 CB 1.388 17 residues pruned to eliminate duplicates Z: 27 21.229 2.125 0.672 0.512 0.846 0.654 CB 1.368 27 residues pruned to eliminate duplicates Z: 27 17.278 2.152 0.663 0.358 0.731 0.346 CB 1.509 34 residues pruned to eliminate duplicates Z: 35 24.298 2.168 0.751 0.428 0.853 0.412 CB 1.387 35 residues pruned to eliminate duplicates Z: 21 6.988 1.933 0.369 0.305 0.500 0.300 CB 1.467 21 residues pruned to eliminate duplicates Z: 43 28.807 2.155 0.619 0.482 0.905 0.595 CB 1.434 43 residues pruned to eliminate duplicates Z: 40 28.374 2.136 0.702 0.444 0.897 0.487 CB 1.475 38 residues pruned to eliminate duplicates Z: 11 21.323 1.835 0.738 0.813 1.000 0.500 CB 1.611 11 residues pruned to eliminate duplicates Z: 36 24.259 2.108 0.614 0.458 0.800 0.514 CB 1.572 36 residues pruned to eliminate duplicates Z: 41 22.807 2.149 0.490 0.391 0.850 0.450 CB 1.487 41 residues pruned to eliminate duplicates Z: 8 15.121 2.016 0.668 0.829 0.714 0.571 C 1.791 8 residues pruned to eliminate duplicates Z: 22 15.971 2.184 0.678 0.453 0.714 0.524 CB 1.397 22 residues pruned to eliminate duplicates Z: 42 32.142 2.166 0.835 0.510 0.878 0.463 CB 1.425 41 residues pruned to eliminate duplicates Z: 17 18.988 2.125 0.977 0.568 0.812 0.500 CB 1.302 17 residues pruned to eliminate duplicates Z: 42 21.538 2.097 0.561 0.439 0.756 0.317 CB 1.447 42 residues pruned to eliminate duplicates Z: 42 26.169 2.107 0.739 0.431 0.854 0.390 CB 1.403 42 residues pruned to eliminate duplicates Z: 34 25.985 2.184 0.843 0.416 0.879 0.455 CB 1.397 35 residues pruned to eliminate duplicates Z: 22 24.265 1.970 0.597 0.768 0.952 0.762 CB 1.393 22 residues pruned to eliminate duplicates Z: 9 21.663 2.383 1.424 0.432 1.000 0.500 CB 1.423 9 residues pruned to eliminate duplicates Z: 38 23.551 2.123 0.779 0.361 0.838 0.486 CB 1.421 38 residues pruned to eliminate duplicates Z: 20 22.186 2.249 0.844 0.566 0.895 0.526 CB 1.287 20 residues pruned to eliminate duplicates Z: 43 26.220 2.158 0.767 0.491 0.810 0.452 CB 1.323 43 residues pruned to eliminate duplicates Z: 51 21.106 2.078 0.535 0.432 0.780 0.360 CB 1.288 70 residues pruned to eliminate duplicates Z: 7 5.019 1.480 0.525 0.564 0.833 0.333 CA 1.023 7 residues pruned to eliminate duplicates Z: 46 20.301 2.023 0.727 0.401 0.733 0.378 CB 1.311 46 residues pruned to eliminate duplicates Z: 30 15.931 1.924 0.463 0.460 0.759 0.345 CB 1.443 30 residues pruned to eliminate duplicates Z: 17 8.229 1.609 0.139 0.488 0.938 0.438 CB 1.212 16 residues pruned to eliminate duplicates Z: 6 2.046 1.453 0.370 0.395 0.800 0.600 CB 0.642 6 residues pruned to eliminate duplicates Z: 19 10.047 1.634 0.325 0.505 0.889 0.444 CB 1.224 15 residues pruned to eliminate duplicates Z: 6 2.101 1.310 0.583 0.473 0.800 0.200 N 0.582 7 residues pruned to eliminate duplicates Z: 13 12.661 2.004 0.672 0.749 0.833 0.333 CB 1.049 13 residues pruned to eliminate duplicates Z: 29 25.664 2.044 0.471 0.587 1.000 0.500 CB 1.483 29 residues pruned to eliminate duplicates Z: 30 23.542 1.981 0.554 0.599 0.897 0.552 CB 1.442 30 residues pruned to eliminate duplicates Z: 30 24.263 2.027 0.504 0.543 0.966 0.483 CB 1.468 Z: 31 21.714 2.027 0.374 0.616 0.933 0.733 CB 1.366 31 residues pruned to eliminate duplicates Z: 29 27.596 2.052 0.575 0.576 0.964 0.714 CB 1.555 59 residues pruned to eliminate duplicates Z: 16 18.691 1.948 0.343 0.701 0.933 0.533 CB 1.646 Z: 17 15.265 1.753 0.157 0.767 1.000 0.812 CB 1.486 15 residues pruned to eliminate duplicates Z: 13 18.428 2.012 0.408 0.862 1.000 0.750 CB 1.378 13 residues pruned to eliminate duplicates Z: 27 24.071 2.063 0.520 0.639 0.923 0.615 CB 1.431 45 residues pruned to eliminate duplicates Z: 31 25.102 2.026 0.535 0.614 0.933 0.667 CB 1.417 31 residues pruned to eliminate duplicates Z: 31 23.036 2.009 0.414 0.592 1.000 0.633 CB 1.355 29 residues pruned to eliminate duplicates Z: 15 22.730 1.916 0.730 0.908 0.929 0.357 CB 1.402 Z: 14 19.182 1.947 0.581 0.874 0.923 0.538 CB 1.363 14 residues pruned to eliminate duplicates Z: 31 24.344 2.053 0.591 0.573 0.867 0.600 CB 1.464 46 residues pruned to eliminate duplicates Z: 29 28.575 2.052 0.667 0.608 0.964 0.643 CB 1.478 31 residues pruned to eliminate duplicates Z: 14 26.053 1.987 0.745 0.844 1.000 0.692 CB 1.550 Z: 14 23.101 2.033 0.768 0.877 0.923 0.538 CB 1.402 14 residues pruned to eliminate duplicates Z: 31 22.291 2.025 0.552 0.552 0.867 0.433 CB 1.420 43 residues pruned to eliminate duplicates Z: 18 21.050 2.000 0.604 0.701 0.941 0.529 CB 1.408 Z: 7 2.667 1.356 0.937 0.118 0.667 0.333 O 1.006 7 residues pruned to eliminate duplicates Z: 30 25.602 2.056 0.623 0.620 0.897 0.724 CB 1.419 48 residues pruned to eliminate duplicates Z: 12 8.836 1.989 0.426 0.513 0.909 0.727 CB 1.019 12 residues pruned to eliminate duplicates Z: 26 30.752 2.054 0.545 0.842 1.000 0.720 CB 1.443 24 residues pruned to eliminate duplicates Z: 13 23.094 2.021 0.937 0.764 0.917 0.417 CA 1.470 13 residues pruned to eliminate duplicates Z: 15 22.558 2.118 0.790 0.716 0.929 0.286 CB 1.408 15 residues pruned to eliminate duplicates Z: 39 26.838 1.960 0.483 0.695 0.921 0.632 CB 1.361 39 residues pruned to eliminate duplicates Z: 49 26.470 1.965 0.612 0.569 0.812 0.438 CB 1.389 48 residues pruned to eliminate duplicates Z: 13 26.533 1.987 1.054 0.878 0.917 0.500 CB 1.486 13 residues pruned to eliminate duplicates Z: 62 34.874 2.003 0.514 0.621 0.902 0.574 CB 1.457 85 residues pruned to eliminate duplicates Z: 24 30.785 1.999 0.583 0.920 0.913 0.652 CB 1.565 24 residues pruned to eliminate duplicates Z: 26 32.117 2.077 0.664 0.812 0.960 0.640 CB 1.476 26 residues pruned to eliminate duplicates Z: 25 32.642 2.090 0.754 0.817 0.917 0.583 CB 1.505 25 residues pruned to eliminate duplicates Z: 33 24.609 1.989 0.468 0.735 0.875 0.719 CB 1.379 33 residues pruned to eliminate duplicates Z: 60 43.825 2.074 0.750 0.666 0.898 0.593 CB 1.500 75 residues pruned to eliminate duplicates Z: 21 35.213 2.024 0.996 0.913 1.000 0.600 CB 1.379 21 residues pruned to eliminate duplicates Z: 25 27.863 2.010 1.063 0.805 0.833 0.458 CB 1.261 25 residues pruned to eliminate duplicates Z: 26 30.737 2.084 0.770 0.815 0.880 0.440 CB 1.440 26 residues pruned to eliminate duplicates Z: 47 30.464 2.022 0.526 0.632 0.891 0.630 CB 1.442 47 residues pruned to eliminate duplicates Z: 27 31.025 2.030 0.843 0.758 0.962 0.346 CB 1.345 27 residues pruned to eliminate duplicates Z: 39 23.591 2.000 0.486 0.685 0.842 0.421 CB 1.291 39 residues pruned to eliminate duplicates Z: 92 38.575 1.994 0.564 0.600 0.857 0.484 CB 1.375 92 residues pruned to eliminate duplicates Z: 39 31.440 2.055 0.801 0.722 0.895 0.421 CB 1.260 39 residues pruned to eliminate duplicates Z: 33 25.496 2.057 0.588 0.672 0.875 0.312 CB 1.346 33 residues pruned to eliminate duplicates Z: 35 21.886 1.969 0.422 0.702 0.912 0.441 CB 1.223 35 residues pruned to eliminate duplicates Z: 50 35.111 1.998 0.737 0.719 0.857 0.469 CB 1.383 50 residues pruned to eliminate duplicates Z: 27 18.913 1.981 0.542 0.658 0.846 0.462 CB 1.240 27 residues pruned to eliminate duplicates Z: 29 25.712 2.046 0.546 0.738 0.929 0.393 CB 1.336 29 residues pruned to eliminate duplicates Z: 36 30.328 2.012 0.729 0.697 0.857 0.514 CB 1.437 36 residues pruned to eliminate duplicates Z: 68 35.974 2.050 0.592 0.629 0.866 0.478 CB 1.378 68 residues pruned to eliminate duplicates Z: 39 31.560 2.053 0.792 0.712 0.842 0.474 CB 1.364 39 residues pruned to eliminate duplicates Z: 32 26.568 2.038 0.683 0.714 0.935 0.516 CB 1.224 32 residues pruned to eliminate duplicates Z: 51 35.714 2.057 0.651 0.647 0.860 0.600 CB 1.508 51 residues pruned to eliminate duplicates Z: 28 23.283 2.056 0.295 0.689 0.889 0.667 CB 1.592 28 residues pruned to eliminate duplicates Z: 36 36.642 2.080 0.742 0.700 0.971 0.514 CB 1.467 36 residues pruned to eliminate duplicates Z: 16 13.879 1.945 0.290 0.549 0.933 0.600 CB 1.459 16 residues pruned to eliminate duplicates Z: 38 24.167 1.981 0.637 0.577 0.838 0.649 CB 1.357 38 residues pruned to eliminate duplicates Z: 61 45.323 2.052 0.756 0.690 0.950 0.533 CB 1.437 61 residues pruned to eliminate duplicates Z: 56 40.099 2.053 0.703 0.702 0.855 0.509 CB 1.506 56 residues pruned to eliminate duplicates Z: 51 34.461 2.043 0.608 0.710 0.820 0.560 CB 1.495 51 residues pruned to eliminate duplicates Z: 48 36.144 2.063 0.712 0.680 0.851 0.489 CB 1.486 48 residues pruned to eliminate duplicates Z: 21 27.385 2.047 0.755 0.627 0.900 0.600 CB 1.680 21 residues pruned to eliminate duplicates Z: 25 24.143 2.006 0.604 0.596 0.875 0.583 CB 1.596 25 residues pruned to eliminate duplicates Z: 28 24.730 1.882 0.905 0.585 0.852 0.667 CA 1.436 28 residues pruned to eliminate duplicates Z: 56 39.082 2.046 0.622 0.683 0.891 0.364 CB 1.506 56 residues pruned to eliminate duplicates Z: 21 27.899 2.071 0.855 0.675 0.850 0.700 CB 1.626 21 residues pruned to eliminate duplicates Z: 19 25.105 2.092 0.563 0.704 0.944 0.556 CA 1.591 19 residues pruned to eliminate duplicates Z: 24 28.267 2.083 0.765 0.637 0.913 0.652 CA 1.543 24 residues pruned to eliminate duplicates Z: 15 36.063 2.272 0.784 0.889 0.929 0.714 CA 1.843 21 residues pruned to eliminate duplicates Z: 16 33.850 2.179 0.556 0.912 1.000 0.600 CA 1.826 16 residues pruned to eliminate duplicates Z: 23 22.343 2.058 0.670 0.609 0.818 0.636 CB 1.528 23 residues pruned to eliminate duplicates Z: 25 22.382 2.029 0.684 0.584 0.792 0.458 CB 1.559 25 residues pruned to eliminate duplicates Z: 26 27.549 1.991 0.875 0.603 0.880 0.760 CB 1.521 21 residues pruned to eliminate duplicates Z: 16 30.406 2.174 0.710 0.910 0.867 0.667 CB 1.729 16 residues pruned to eliminate duplicates Z: 24 28.707 2.066 0.841 0.632 0.913 0.565 CB 1.523 24 residues pruned to eliminate duplicates Z: 22 34.771 2.146 0.897 0.645 0.952 0.571 CB 1.710 22 residues pruned to eliminate duplicates Z: 23 14.432 1.924 0.626 0.464 0.727 0.227 CB 1.403 23 residues pruned to eliminate duplicates Z: 22 21.160 1.879 0.796 0.558 0.905 0.571 CA 1.430 22 residues pruned to eliminate duplicates Z: 34 18.131 1.884 0.412 0.398 0.879 0.515 CB 1.503 40 residues pruned to eliminate duplicates Z: 24 15.599 1.869 0.429 0.421 0.870 0.435 CA 1.521 5 residues pruned to eliminate duplicates Z: 10 11.133 2.080 -0.156 0.813 1.000 0.778 CB 1.609 10 residues pruned to eliminate duplicates Z: 19 12.096 1.953 0.001 0.572 0.944 0.611 CB 1.440 22 residues pruned to eliminate duplicates Z: 9 13.412 1.924 0.224 0.778 1.000 0.750 CA 1.575 9 residues pruned to eliminate duplicates Z: 11 17.890 1.916 0.704 0.809 1.000 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 11 15.435 1.835 0.670 0.752 0.900 0.800 CA 1.414 11 residues pruned to eliminate duplicates Z: 20 13.993 1.749 0.466 0.567 0.842 0.579 CB 1.393 20 residues pruned to eliminate duplicates Z: 12 13.035 1.968 0.219 0.669 0.909 0.636 CA 1.542 12 residues pruned to eliminate duplicates Z: 15 13.702 1.874 0.484 0.591 0.857 0.643 CB 1.409 15 residues pruned to eliminate duplicates Z: 27 19.506 1.924 0.623 0.579 0.808 0.500 CB 1.405 27 residues pruned to eliminate duplicates Z: 39 17.085 1.818 0.388 0.544 0.789 0.579 CB 1.332 39 residues pruned to eliminate duplicates Z: 16 10.389 1.772 0.317 0.576 0.867 0.533 CA 1.232 16 residues pruned to eliminate duplicates Z: 16 10.006 1.796 0.448 0.511 0.733 0.467 CA 1.340 16 residues pruned to eliminate duplicates Z: 18 11.164 1.776 0.274 0.495 0.882 0.529 CB 1.364 18 residues pruned to eliminate duplicates Z: 27 17.258 1.745 0.467 0.551 0.923 0.538 CA 1.363 27 residues pruned to eliminate duplicates Z: 38 13.115 1.724 0.315 0.463 0.811 0.514 CB 1.218 38 residues pruned to eliminate duplicates Z: 48 24.216 1.829 0.436 0.595 0.872 0.596 CB 1.407 49 residues pruned to eliminate duplicates Z: 30 35.222 2.050 0.521 0.849 0.931 0.690 CA 1.671 30 residues pruned to eliminate duplicates Z: 33 35.580 1.993 0.596 0.786 1.000 0.750 CB 1.537 33 residues pruned to eliminate duplicates Z: 27 30.669 2.050 0.670 0.795 0.923 0.731 CB 1.469 27 residues pruned to eliminate duplicates Z: 33 36.434 2.000 0.721 0.776 0.969 0.750 CA 1.514 33 residues pruned to eliminate duplicates Z: 35 31.547 1.918 0.667 0.746 0.941 0.588 CA 1.442 35 residues pruned to eliminate duplicates Z: 34 39.170 2.018 0.802 0.800 0.970 0.727 CB 1.488 34 residues pruned to eliminate duplicates Z: 30 38.812 2.049 0.885 0.784 0.966 0.655 CB 1.505 30 residues pruned to eliminate duplicates Z: 35 37.771 1.987 0.725 0.775 1.000 0.647 CB 1.482 35 residues pruned to eliminate duplicates Z: 33 36.089 2.052 0.847 0.786 0.938 0.531 CB 1.397 33 residues pruned to eliminate duplicates Z: 32 32.699 2.026 0.759 0.663 0.968 0.548 CB 1.464 32 residues pruned to eliminate duplicates Z: 32 34.017 2.025 0.841 0.805 0.871 0.484 CB 1.442 32 residues pruned to eliminate duplicates Z: 34 42.687 2.022 0.870 0.827 1.000 0.667 CB 1.481 34 residues pruned to eliminate duplicates Z: 39 35.477 1.941 0.674 0.761 0.974 0.447 CB 1.443 39 residues pruned to eliminate duplicates Z: 32 40.257 2.013 0.770 0.816 1.000 0.677 CB 1.542 32 residues pruned to eliminate duplicates Z: 36 40.831 2.007 0.857 0.798 0.943 0.514 CB 1.513 36 residues pruned to eliminate duplicates Z: 37 40.906 1.989 0.815 0.783 0.972 0.528 CB 1.515 37 residues pruned to eliminate duplicates Z: 24 32.692 1.984 0.793 0.864 0.957 0.261 CB 1.469 24 residues pruned to eliminate duplicates Z: 40 37.865 1.924 0.887 0.744 0.923 0.513 CB 1.454 40 residues pruned to eliminate duplicates Z: 32 36.503 1.983 0.764 0.853 0.968 0.419 CB 1.431 32 residues pruned to eliminate duplicates Z: 38 43.141 1.950 0.963 0.829 0.973 0.378 CB 1.433 37 residues pruned to eliminate duplicates Z: 29 41.630 2.060 0.869 0.932 0.893 0.500 CB 1.598 30 residues pruned to eliminate duplicates Z: 30 37.733 1.980 0.855 0.907 0.862 0.345 CB 1.573 30 residues pruned to eliminate duplicates Z: 36 42.951 2.010 0.957 0.813 0.971 0.429 CB 1.447 36 residues pruned to eliminate duplicates Z: 35 36.479 2.019 0.973 0.817 0.882 0.412 CB 1.352 35 residues pruned to eliminate duplicates Z: 18 29.259 1.964 0.912 0.813 0.882 0.471 CB 1.632 18 residues pruned to eliminate duplicates Z: 18 22.234 1.820 0.728 0.751 0.882 0.529 CB 1.553 18 residues pruned to eliminate duplicates Z: 20 27.341 1.953 0.793 0.816 0.842 0.474 CB 1.617 20 residues pruned to eliminate duplicates Z: 36 39.831 2.005 0.927 0.811 0.914 0.286 CB 1.453 36 residues pruned to eliminate duplicates Z: 37 26.725 1.938 0.816 0.763 0.750 0.389 CB 1.336 37 residues pruned to eliminate duplicates Z: 25 25.041 2.280 0.511 0.496 0.958 0.583 CB 1.555 27 residues pruned to eliminate duplicates Z: 6 2.973 1.865 0.427 0.121 0.800 0.600 CA 1.006 6 residues pruned to eliminate duplicates Z: 27 22.393 2.190 0.472 0.502 0.885 0.500 CB 1.538 27 residues pruned to eliminate duplicates Z: 10 25.379 2.190 0.869 0.794 1.000 0.778 CB 1.597 10 residues pruned to eliminate duplicates Z: 28 22.042 2.244 0.304 0.504 1.000 0.667 CB 1.443 28 residues pruned to eliminate duplicates Z: 25 23.926 2.208 0.486 0.518 0.958 0.667 CB 1.527 25 residues pruned to eliminate duplicates Z: 20 28.350 2.377 0.748 0.509 0.895 0.474 CB 1.734 23 residues pruned to eliminate duplicates Z: 9 21.157 2.119 0.957 0.902 1.000 0.500 CB 1.286 9 residues pruned to eliminate duplicates Z: 27 22.105 2.226 0.499 0.522 0.885 0.538 CB 1.437 27 residues pruned to eliminate duplicates Z: 26 26.085 2.273 0.620 0.561 0.960 0.560 CB 1.391 26 residues pruned to eliminate duplicates Z: 9 14.763 2.231 0.934 0.769 0.875 0.250 CB 1.089 9 residues pruned to eliminate duplicates Z: 29 26.352 2.210 0.565 0.545 0.964 0.607 CB 1.429 29 residues pruned to eliminate duplicates Z: 23 26.472 2.286 0.745 0.521 0.955 0.773 CB 1.452 22 residues pruned to eliminate duplicates Z: 6 10.039 1.896 0.987 0.441 1.000 0.600 CB 1.266 Z: 11 10.949 1.835 0.559 0.600 0.900 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 27 26.150 2.282 0.539 0.555 0.962 0.615 CB 1.439 32 residues pruned to eliminate duplicates Z: 8 5.676 1.860 -0.022 0.787 0.857 0.571 CB 1.070 8 residues pruned to eliminate duplicates Z: 28 25.408 2.237 0.528 0.534 0.926 0.704 CB 1.493 28 residues pruned to eliminate duplicates Z: 6 3.751 2.092 0.275 0.733 0.600 0.200 CB 0.851 6 residues pruned to eliminate duplicates Z: 14 16.510 2.098 0.418 0.555 0.846 0.385 CB 1.725 14 residues pruned to eliminate duplicates Z: 41 24.692 2.093 0.599 0.503 0.900 0.575 CB 1.292 41 residues pruned to eliminate duplicates Z: 33 21.665 2.065 0.641 0.512 0.844 0.562 CB 1.323 33 residues pruned to eliminate duplicates Z: 25 16.450 2.055 0.545 0.527 0.833 0.667 CB 1.235 25 residues pruned to eliminate duplicates Z: 13 14.273 2.107 0.683 0.557 0.750 0.417 CB 1.466 13 residues pruned to eliminate duplicates Z: 11 16.516 2.169 0.608 0.672 0.800 0.500 CB 1.597 11 residues pruned to eliminate duplicates Z: 30 18.958 2.092 0.341 0.558 0.931 0.655 CB 1.274 30 residues pruned to eliminate duplicates Z: 44 28.873 2.132 0.674 0.485 0.907 0.442 CB 1.381 44 residues pruned to eliminate duplicates Z: 12 10.109 1.892 0.790 0.539 0.727 0.545 CB 1.191 12 residues pruned to eliminate duplicates Z: 17 15.912 1.955 0.489 0.592 0.875 0.500 CB 1.430 17 residues pruned to eliminate duplicates Z: 18 14.574 2.083 0.566 0.556 0.824 0.471 CB 1.246 18 residues pruned to eliminate duplicates Z: 19 15.744 2.117 0.571 0.531 0.833 0.667 CB 1.298 19 residues pruned to eliminate duplicates Z: 41 25.604 2.101 0.628 0.530 0.900 0.625 CB 1.277 41 residues pruned to eliminate duplicates Z: 14 10.172 2.151 0.122 0.538 0.923 0.769 CB 1.220 14 residues pruned to eliminate duplicates Z: 32 26.445 2.121 0.711 0.534 0.839 0.548 CB 1.509 32 residues pruned to eliminate duplicates Z: 8 8.849 2.053 0.691 0.535 0.857 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 17 11.393 1.972 0.464 0.503 1.000 0.438 CB 0.983 17 residues pruned to eliminate duplicates Z: 9 7.327 1.930 0.810 0.481 0.875 0.750 CB 0.864 9 residues pruned to eliminate duplicates Z: 18 9.175 1.957 0.434 0.447 0.706 0.588 CB 1.186 18 residues pruned to eliminate duplicates Z: 17 10.070 2.051 0.342 0.491 1.000 0.500 CB 0.923 17 residues pruned to eliminate duplicates Z: 16 9.959 2.051 0.330 0.496 0.867 0.733 CB 1.092 16 residues pruned to eliminate duplicates Z: 13 8.584 1.889 0.657 0.309 0.750 0.583 CB 1.305 13 residues pruned to eliminate duplicates Z: 14 8.353 1.869 0.247 0.410 0.846 0.538 CB 1.292 14 residues pruned to eliminate duplicates Z: 10 9.003 1.911 0.508 0.406 0.889 0.556 CA 1.293 10 residues pruned to eliminate duplicates Z: 31 9.048 1.775 0.305 0.390 0.833 0.467 CB 0.962 31 residues pruned to eliminate duplicates Z: 7 6.654 1.633 0.621 0.497 1.000 0.833 CA 1.030 7 residues pruned to eliminate duplicates Z: 13 7.954 1.894 0.434 0.272 0.833 0.417 N 1.313 13 residues pruned to eliminate duplicates Z: 118 57.840 2.166 0.584 0.650 0.923 0.607 CB 1.468 118 residues pruned to eliminate duplicates Z: 31 20.853 2.020 0.289 0.608 0.900 0.700 CB 1.466 31 residues pruned to eliminate duplicates Z: 29 24.306 2.080 0.441 0.650 0.929 0.714 CB 1.435 29 residues pruned to eliminate duplicates Z: 30 22.718 2.025 0.379 0.632 0.931 0.621 CB 1.433 30 residues pruned to eliminate duplicates Z: 28 25.130 2.068 0.475 0.626 0.926 0.741 CB 1.520 28 residues pruned to eliminate duplicates Z: 79 26.604 1.951 0.507 0.456 0.833 0.526 CB 1.285 94 residues pruned to eliminate duplicates Z: 17 24.955 2.041 0.489 0.840 1.000 0.812 CA 1.533 19 residues pruned to eliminate duplicates Z: 15 23.046 2.172 0.496 0.831 0.929 0.714 CA 1.535 15 residues pruned to eliminate duplicates Z: 36 21.351 1.933 0.505 0.558 0.886 0.571 CB 1.324 36 residues pruned to eliminate duplicates Z: 45 28.365 2.071 0.546 0.626 0.818 0.500 CB 1.450 45 residues pruned to eliminate duplicates Z: 65 30.129 2.055 0.530 0.530 0.844 0.531 CB 1.379 65 residues pruned to eliminate duplicates Z: 28 27.635 2.068 0.555 0.679 0.926 0.704 CB 1.514 28 residues pruned to eliminate duplicates Z: 30 26.740 2.002 0.530 0.653 0.966 0.586 CB 1.456 30 residues pruned to eliminate duplicates Z: 33 23.911 1.932 0.485 0.603 0.938 0.562 CB 1.424 33 residues pruned to eliminate duplicates Z: 26 30.180 2.129 0.562 0.708 0.960 0.600 CB 1.565 26 residues pruned to eliminate duplicates Z: 29 28.080 2.047 0.601 0.677 0.964 0.571 CB 1.427 29 residues pruned to eliminate duplicates Z: 28 29.440 2.094 0.546 0.697 0.963 0.704 CB 1.519 27 residues pruned to eliminate duplicates Z: 17 29.663 2.167 0.723 0.784 0.938 0.812 CA 1.649 17 residues pruned to eliminate duplicates Z: 31 22.842 1.967 0.487 0.592 0.933 0.633 CB 1.398 31 residues pruned to eliminate duplicates Z: 27 28.962 2.078 0.516 0.726 0.962 0.692 CB 1.530 27 residues pruned to eliminate duplicates Z: 12 6.719 1.854 0.024 0.476 0.909 0.636 CB 1.203 12 residues pruned to eliminate duplicates Z: 29 28.564 2.093 0.592 0.670 0.964 0.607 CB 1.436 29 residues pruned to eliminate duplicates Z: 31 24.289 2.012 0.480 0.639 0.867 0.600 CB 1.508 29 residues pruned to eliminate duplicates Z: 13 18.450 2.032 0.509 0.839 0.917 0.500 CB 1.414 13 residues pruned to eliminate duplicates Z: 31 20.412 2.178 0.698 0.507 0.800 0.367 CB 1.251 31 residues pruned to eliminate duplicates Z: 61 31.623 2.107 0.507 0.555 0.883 0.500 CB 1.380 63 residues pruned to eliminate duplicates Z: 11 20.024 2.157 0.415 0.881 0.900 0.500 CB 1.669 11 residues pruned to eliminate duplicates Z: 51 23.654 1.998 0.648 0.480 0.820 0.400 CB 1.265 51 residues pruned to eliminate duplicates Z: 41 22.654 2.082 0.805 0.446 0.850 0.500 CB 1.185 41 residues pruned to eliminate duplicates Z: 37 19.775 2.075 0.656 0.463 0.889 0.444 CB 1.120 37 residues pruned to eliminate duplicates Z: 31 22.497 1.951 0.772 0.543 0.833 0.467 CB 1.366 31 residues pruned to eliminate duplicates Z: 20 24.360 2.019 0.829 0.610 0.947 0.526 CB 1.438 20 residues pruned to eliminate duplicates Z: 37 21.771 2.130 0.609 0.405 0.917 0.500 CB 1.276 37 residues pruned to eliminate duplicates Z: 36 20.470 2.125 0.725 0.510 0.771 0.571 CB 1.212 36 residues pruned to eliminate duplicates Z: 35 27.867 2.194 0.650 0.533 0.941 0.529 CB 1.358 35 residues pruned to eliminate duplicates Z: 52 27.331 2.051 0.703 0.480 0.902 0.431 CB 1.239 52 residues pruned to eliminate duplicates Z: 52 28.349 2.096 0.708 0.468 0.882 0.490 CB 1.298 52 residues pruned to eliminate duplicates Z: 45 25.266 2.063 0.808 0.499 0.841 0.545 CB 1.215 45 residues pruned to eliminate duplicates Z: 31 19.166 2.091 0.640 0.438 0.867 0.433 CB 1.254 31 residues pruned to eliminate duplicates Z: 35 23.396 2.109 0.789 0.477 0.824 0.471 CB 1.322 35 residues pruned to eliminate duplicates Z: 45 25.779 2.040 0.745 0.502 0.864 0.523 CB 1.261 45 residues pruned to eliminate duplicates Z: 35 21.786 2.075 0.841 0.467 0.824 0.471 CB 1.228 35 residues pruned to eliminate duplicates Z: 29 15.213 2.091 0.532 0.423 0.786 0.357 CB 1.237 29 residues pruned to eliminate duplicates Z: 29 27.677 2.188 0.966 0.520 0.929 0.607 CB 1.284 29 residues pruned to eliminate duplicates Z: 37 22.921 2.098 0.801 0.438 0.833 0.528 CB 1.293 37 residues pruned to eliminate duplicates Z: 47 32.566 2.144 0.843 0.579 0.870 0.522 CB 1.295 47 residues pruned to eliminate duplicates Z: 46 29.318 2.113 0.758 0.531 0.844 0.489 CB 1.352 46 residues pruned to eliminate duplicates Z: 44 31.860 2.149 0.844 0.536 0.860 0.512 CB 1.376 44 residues pruned to eliminate duplicates Z: 45 22.487 2.057 0.752 0.416 0.864 0.500 CB 1.189 45 residues pruned to eliminate duplicates Z: 93 56.961 2.200 0.643 0.666 0.913 0.663 CB 1.544 93 residues pruned to eliminate duplicates Z: 47 30.301 2.125 0.735 0.556 0.891 0.609 CB 1.288 47 residues pruned to eliminate duplicates Z: 47 29.925 2.066 0.874 0.535 0.826 0.500 CB 1.333 47 residues pruned to eliminate duplicates Z: 15 12.806 1.952 0.788 0.409 0.929 0.500 CB 1.161 15 residues pruned to eliminate duplicates Z: 45 27.031 2.115 0.853 0.541 0.841 0.500 CB 1.187 45 residues pruned to eliminate duplicates Z: 88 54.393 2.214 0.648 0.659 0.908 0.667 CB 1.519 88 residues pruned to eliminate duplicates Z: 69 53.329 2.247 0.607 0.727 0.912 0.618 CB 1.601 69 residues pruned to eliminate duplicates Z: 57 53.246 2.242 0.661 0.765 0.929 0.786 CA 1.626 57 residues pruned to eliminate duplicates Z: 77 56.648 2.223 0.747 0.678 0.921 0.711 CB 1.542 77 residues pruned to eliminate duplicates Z: 60 58.044 2.235 0.674 0.791 0.949 0.763 CB 1.648 60 residues pruned to eliminate duplicates Z: 56 56.786 2.266 0.655 0.773 0.964 0.800 CB 1.665 56 residues pruned to eliminate duplicates Z: 60 59.348 2.256 0.665 0.792 0.949 0.763 CB 1.677 60 residues pruned to eliminate duplicates Z: 12 28.273 2.220 0.746 0.908 1.000 0.545 CA 1.562 12 residues pruned to eliminate duplicates Z: 67 45.665 2.205 0.517 0.706 0.909 0.727 CB 1.532 67 residues pruned to eliminate duplicates Z: 63 61.609 2.242 0.709 0.785 0.968 0.774 CA 1.642 63 residues pruned to eliminate duplicates Z: 55 60.571 2.287 0.742 0.800 0.944 0.796 CB 1.685 55 residues pruned to eliminate duplicates Z: 28 43.172 2.435 0.534 0.802 0.963 0.815 CB 1.774 28 residues pruned to eliminate duplicates Z: 57 54.643 2.268 0.634 0.775 0.946 0.696 CB 1.633 57 residues pruned to eliminate duplicates Z: 65 53.177 2.203 0.634 0.774 0.938 0.641 CB 1.546 65 residues pruned to eliminate duplicates Z: 47 39.122 2.123 0.516 0.711 0.913 0.609 CB 1.621 47 residues pruned to eliminate duplicates Z: 54 56.002 2.249 0.682 0.765 1.000 0.755 CB 1.607 54 residues pruned to eliminate duplicates Z: 29 44.816 2.378 0.731 0.773 1.000 0.714 CB 1.617 29 residues pruned to eliminate duplicates Z: 59 59.540 2.233 0.700 0.798 0.966 0.759 CB 1.643 59 residues pruned to eliminate duplicates Z: 56 58.506 2.261 0.760 0.808 0.945 0.709 CB 1.602 56 residues pruned to eliminate duplicates Z: 45 52.121 2.277 0.649 0.740 1.000 0.818 CB 1.688 45 residues pruned to eliminate duplicates Z: 63 47.505 2.167 0.661 0.704 0.887 0.613 CB 1.570 63 residues pruned to eliminate duplicates Z: 57 59.567 2.252 0.800 0.781 0.929 0.750 CB 1.651 57 residues pruned to eliminate duplicates Z: 25 42.759 2.377 1.130 0.688 0.958 0.583 CB 1.513 25 residues pruned to eliminate duplicates Z: 57 52.719 2.244 0.581 0.772 0.964 0.839 CB 1.619 57 residues pruned to eliminate duplicates Z: 53 55.808 2.213 0.832 0.737 0.962 0.673 CA 1.604 53 residues pruned to eliminate duplicates Z: 43 49.854 2.280 0.625 0.770 0.952 0.714 CB 1.717 43 residues pruned to eliminate duplicates Z: 43 57.469 2.324 0.895 0.765 0.976 0.762 CB 1.631 43 residues pruned to eliminate duplicates Z: 90 61.418 2.246 0.897 0.670 0.888 0.674 CB 1.471 90 residues pruned to eliminate duplicates Z: 31 50.373 2.278 0.681 0.952 1.000 0.833 CB 1.655 31 residues pruned to eliminate duplicates Z: 58 60.033 2.220 0.869 0.774 0.965 0.737 CB 1.559 58 residues pruned to eliminate duplicates Z: 88 58.054 2.231 0.740 0.692 0.920 0.690 CB 1.463 88 residues pruned to eliminate duplicates Z: 60 59.477 2.252 0.714 0.795 0.949 0.780 CB 1.632 60 residues pruned to eliminate duplicates Z: 64 65.458 2.237 0.913 0.787 0.968 0.651 CB 1.546 62 residues pruned to eliminate duplicates Z: 31 53.955 2.275 0.765 0.937 1.000 0.833 CB 1.708 31 residues pruned to eliminate duplicates Z: 57 58.904 2.232 0.815 0.774 1.000 0.536 CB 1.526 56 residues pruned to eliminate duplicates Z: 31 50.886 2.255 0.867 0.914 1.000 0.433 CB 1.561 31 residues pruned to eliminate duplicates Z: 67 57.976 2.141 0.935 0.763 0.924 0.409 CB 1.475 67 residues pruned to eliminate duplicates Z: 31 52.840 2.258 0.947 0.922 0.967 0.567 CB 1.596 31 residues pruned to eliminate duplicates Z: 46 56.948 2.268 1.057 0.712 0.978 0.489 CB 1.536 46 residues pruned to eliminate duplicates Z: 56 62.843 2.260 1.043 0.763 0.945 0.545 CB 1.537 56 residues pruned to eliminate duplicates Z: 67 58.601 2.215 0.969 0.723 0.955 0.470 CB 1.417 67 residues pruned to eliminate duplicates Z: 56 61.642 2.259 1.010 0.763 0.927 0.564 CB 1.563 56 residues pruned to eliminate duplicates Z: 48 50.349 2.208 0.927 0.769 0.915 0.553 CB 1.486 48 residues pruned to eliminate duplicates Z: 16 22.825 1.999 0.713 0.812 0.933 0.667 CB 1.406 16 residues pruned to eliminate duplicates Z: 61 52.331 2.148 0.914 0.759 0.933 0.467 CB 1.398 61 residues pruned to eliminate duplicates Z: 13 25.813 2.201 0.729 0.864 1.000 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 15 26.488 2.137 0.741 0.815 1.000 0.500 CB 1.447 15 residues pruned to eliminate duplicates Z: 17 22.415 2.024 0.652 0.763 0.938 0.500 CB 1.415 17 residues pruned to eliminate duplicates Z: 17 23.277 2.034 0.660 0.764 1.000 0.562 CB 1.364 17 residues pruned to eliminate duplicates Z: 19 18.099 2.023 0.714 0.644 0.833 0.611 CB 1.290 19 residues pruned to eliminate duplicates Z: 55 50.811 2.193 0.945 0.747 0.870 0.463 CB 1.493 55 residues pruned to eliminate duplicates Z: 17 16.675 2.105 0.750 0.609 0.812 0.438 CB 1.256 17 residues pruned to eliminate duplicates Z: 56 62.915 2.256 0.951 0.799 0.982 0.455 CB 1.512 56 residues pruned to eliminate duplicates Z: 17 19.437 1.992 0.717 0.681 0.875 0.562 CB 1.375 17 residues pruned to eliminate duplicates Z: 56 62.793 2.253 0.963 0.809 0.964 0.582 CB 1.517 56 residues pruned to eliminate duplicates Z: 56 64.795 2.265 1.004 0.805 0.982 0.636 CB 1.503 56 residues pruned to eliminate duplicates 979 residues left after pruning, divided into chains as follows: A: 8 B: 13 C: 6 D: 11 E: 6 F: 7 G: 21 H: 9 I: 6 J: 9 K: 12 L: 8 M: 46 N: 15 O: 85 P: 20 Q: 215 R: 22 S: 23 T: 15 U: 17 V: 167 W: 118 X: 114 Y: 6 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.20 % ------------------------------------------------------------------------------ Global autotracing cycle 8 = 0.300, Contrast = 0.514, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.584, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.677, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.680, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.683, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.684, Connect. = 0.781 for dens.mod. cycle 6 = 0.300, Contrast = 0.686, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.686, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.686, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.686, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7632 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1648 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 33.037 2.369 0.869 0.899 1.000 0.917 CA 1.539 B: 32 40.571 2.177 0.513 0.947 0.935 0.871 CA 1.634 C: 12 37.688 2.452 0.881 0.921 0.909 0.727 CA 1.907 D: 14 24.648 2.154 0.489 0.909 1.000 0.846 CA 1.513 14 residues pruned to eliminate duplicates E: 14 24.108 2.175 0.735 0.885 0.923 0.769 CA 1.386 14 residues pruned to eliminate duplicates F: 12 38.225 2.436 0.888 0.907 1.000 0.818 CA 1.781 12 residues pruned to eliminate duplicates G: 12 31.267 2.431 0.536 0.924 1.000 0.909 CA 1.773 12 residues pruned to eliminate duplicates H: 12 29.395 2.392 0.502 0.902 1.000 1.000 CA 1.759 12 residues pruned to eliminate duplicates I: 31 41.362 2.221 0.497 0.892 1.000 0.833 CA 1.632 31 residues pruned to eliminate duplicates J: 13 36.531 2.334 0.999 0.907 0.917 0.667 CA 1.752 12 residues pruned to eliminate duplicates K: 12 27.315 2.167 0.762 0.920 1.000 0.727 CA 1.519 L: 31 50.100 2.300 0.592 0.948 1.000 0.933 CA 1.725 32 residues pruned to eliminate duplicates M: 9 19.454 2.205 0.499 0.855 0.875 0.875 CB 1.755 N: 8 18.973 2.131 0.840 0.809 1.000 0.857 CA 1.397 O: 9 20.563 2.038 0.580 0.825 1.000 0.875 N 1.704 P: 14 25.397 2.135 0.761 0.829 1.000 0.692 CB 1.411 14 residues pruned to eliminate duplicates Q: 9 13.079 1.954 0.595 0.700 0.750 0.500 CA 1.648 R: 13 26.312 2.303 0.599 0.895 0.917 0.667 CA 1.613 13 residues pruned to eliminate duplicates S: 17 25.113 2.034 0.492 0.872 1.000 0.875 CA 1.508 T: 15 32.850 2.167 0.909 0.879 0.929 0.571 CB 1.657 15 residues pruned to eliminate duplicates U: 6 17.708 2.228 1.031 0.833 1.000 0.800 CB 1.312 V: 9 15.826 2.027 0.567 0.821 0.875 0.875 N 1.524 9 residues pruned to eliminate duplicates W: 11 16.166 2.045 0.668 0.847 0.900 0.800 CA 1.236 11 residues pruned to eliminate duplicates X: 20 25.741 2.072 0.808 0.780 0.842 0.737 CB 1.462 5 residues pruned to eliminate duplicates Y: 11 34.873 2.152 1.263 0.878 1.000 0.600 CA 1.643 12 residues pruned to eliminate duplicates Z: 30 47.673 2.304 0.525 0.943 1.000 0.862 CA 1.746 31 residues pruned to eliminate duplicates Z: 16 26.014 2.100 0.547 0.904 0.867 0.733 CB 1.699 Z: 31 46.332 2.246 0.628 0.933 0.967 0.867 CB 1.670 31 residues pruned to eliminate duplicates Z: 26 38.406 2.067 0.770 0.849 0.960 0.840 CA 1.622 Z: 8 22.836 2.150 0.666 0.909 1.000 1.000 CA 1.710 8 residues pruned to eliminate duplicates Z: 25 39.945 2.114 0.879 0.883 0.958 0.792 CB 1.548 26 residues pruned to eliminate duplicates Z: 12 15.400 2.081 0.388 0.805 1.000 0.818 CB 1.231 Z: 15 32.119 2.222 0.588 0.925 1.000 0.929 CA 1.707 16 residues pruned to eliminate duplicates Z: 9 18.285 2.181 0.763 0.887 0.875 0.875 CB 1.385 9 residues pruned to eliminate duplicates Z: 16 30.017 2.163 0.567 0.903 1.000 0.800 CB 1.630 15 residues pruned to eliminate duplicates Z: 13 23.549 2.137 0.598 0.869 0.833 0.750 N 1.745 14 residues pruned to eliminate duplicates Z: 15 23.668 2.011 0.425 0.844 0.929 0.643 CB 1.769 12 residues pruned to eliminate duplicates Z: 11 17.972 2.215 0.300 0.850 1.000 0.800 CB 1.461 12 residues pruned to eliminate duplicates Z: 25 31.966 1.963 0.926 0.833 0.917 0.625 CB 1.413 Z: 15 32.097 2.126 0.648 0.901 1.000 0.786 CA 1.747 15 residues pruned to eliminate duplicates Z: 7 23.884 2.247 0.948 0.852 1.000 0.667 CA 1.648 8 residues pruned to eliminate duplicates Z: 16 20.503 2.093 0.248 0.859 0.933 0.800 CA 1.598 16 residues pruned to eliminate duplicates Z: 23 40.951 2.172 0.853 0.901 0.955 0.818 CB 1.622 Z: 18 25.197 1.982 0.656 0.773 1.000 0.647 CA 1.462 19 residues pruned to eliminate duplicates Z: 21 20.875 2.159 0.560 0.597 0.850 0.550 CB 1.487 Z: 30 43.482 2.267 0.517 0.914 1.000 0.793 CA 1.661 30 residues pruned to eliminate duplicates Z: 12 27.532 2.087 0.834 0.913 1.000 0.364 CB 1.535 11 residues pruned to eliminate duplicates Z: 46 31.493 1.974 0.529 0.659 1.000 0.756 CB 1.342 Z: 12 21.976 2.129 0.582 0.840 1.000 0.636 CB 1.468 Z: 6 7.007 2.098 0.189 0.665 0.800 0.800 CB 1.348 Z: 10 36.423 2.298 1.303 0.899 1.000 0.778 CB 1.640 10 residues pruned to eliminate duplicates Z: 16 36.323 2.180 0.698 0.928 1.000 0.733 CA 1.774 16 residues pruned to eliminate duplicates Z: 10 26.383 2.207 0.663 0.882 1.000 0.667 CB 1.734 Z: 12 19.645 2.128 0.521 0.840 0.909 0.727 CA 1.501 11 residues pruned to eliminate duplicates Z: 12 33.651 2.423 0.769 0.896 1.000 0.909 CA 1.696 12 residues pruned to eliminate duplicates Z: 30 41.945 2.116 1.040 0.917 0.862 0.414 CB 1.477 22 residues pruned to eliminate duplicates Z: 30 40.197 2.099 0.722 0.922 0.966 0.828 CA 1.504 30 residues pruned to eliminate duplicates Z: 45 41.969 2.314 1.050 0.444 0.886 0.500 CB 1.595 13 residues pruned to eliminate duplicates Z: 15 34.474 2.184 0.899 0.900 0.929 0.786 CA 1.708 16 residues pruned to eliminate duplicates Z: 13 27.500 2.317 0.656 0.884 0.917 0.917 CA 1.630 13 residues pruned to eliminate duplicates Z: 11 13.148 1.786 0.482 0.684 0.900 0.700 CA 1.474 9 residues pruned to eliminate duplicates Z: 17 23.257 1.929 0.922 0.798 0.875 0.750 CB 1.380 Z: 11 16.997 1.818 0.680 0.785 0.900 0.500 CB 1.521 11 residues pruned to eliminate duplicates Z: 14 18.075 1.880 0.537 0.831 0.923 0.692 CB 1.412 11 residues pruned to eliminate duplicates Z: 31 41.383 2.241 0.453 0.935 1.000 0.900 CA 1.616 31 residues pruned to eliminate duplicates Z: 28 46.931 2.301 0.624 0.941 0.963 0.926 CA 1.742 28 residues pruned to eliminate duplicates Z: 30 52.006 2.319 0.696 0.926 1.000 0.931 CA 1.722 30 residues pruned to eliminate duplicates Z: 13 20.403 1.926 0.431 0.867 1.000 0.833 N 1.564 Z: 14 22.849 2.088 0.506 0.840 0.923 0.769 CB 1.629 14 residues pruned to eliminate duplicates Z: 15 26.738 1.934 0.698 0.882 1.000 0.714 N 1.575 15 residues pruned to eliminate duplicates Z: 15 24.265 2.039 0.780 0.865 1.000 0.500 CB 1.308 15 residues pruned to eliminate duplicates Z: 27 50.619 2.211 0.928 0.925 1.000 0.846 CA 1.634 30 residues pruned to eliminate duplicates Z: 8 20.006 2.088 0.897 0.914 1.000 0.714 CB 1.349 8 residues pruned to eliminate duplicates Z: 8 14.077 1.975 0.635 0.843 1.000 0.714 CA 1.227 7 residues pruned to eliminate duplicates Z: 23 40.525 2.094 0.954 0.921 0.955 0.636 CB 1.557 25 residues pruned to eliminate duplicates Z: 31 40.911 2.067 0.774 0.930 1.000 0.833 CA 1.424 29 residues pruned to eliminate duplicates Z: 16 20.545 2.124 0.174 0.893 1.000 0.933 CA 1.527 16 residues pruned to eliminate duplicates Z: 13 26.583 2.252 0.633 0.880 1.000 0.750 CA 1.513 13 residues pruned to eliminate duplicates Z: 30 49.112 2.164 0.877 0.929 1.000 0.897 CA 1.571 30 residues pruned to eliminate duplicates Z: 6 5.014 1.668 0.761 0.494 0.800 0.800 CB 0.959 Z: 14 23.044 1.841 0.774 0.845 1.000 0.769 CB 1.454 12 residues pruned to eliminate duplicates Z: 14 24.134 2.149 0.781 0.892 0.923 0.769 CB 1.361 15 residues pruned to eliminate duplicates Z: 12 28.621 2.384 0.670 0.885 0.909 0.818 CA 1.721 12 residues pruned to eliminate duplicates Z: 7 5.940 1.957 0.478 0.677 0.833 0.833 CB 0.855 Z: 9 26.858 2.338 0.811 0.867 1.000 0.625 CB 1.640 9 residues pruned to eliminate duplicates Z: 8 17.205 2.002 0.941 0.832 1.000 0.571 CA 1.257 8 residues pruned to eliminate duplicates Z: 10 16.592 1.787 0.540 0.782 1.000 0.778 O 1.568 11 residues pruned to eliminate duplicates Z: 13 17.762 1.957 0.483 0.838 0.833 0.750 CA 1.585 13 residues pruned to eliminate duplicates Z: 21 23.248 1.862 0.588 0.833 0.950 0.600 CB 1.388 8 residues pruned to eliminate duplicates Z: 30 49.179 2.303 0.631 0.941 0.966 0.793 CA 1.747 30 residues pruned to eliminate duplicates Z: 16 35.300 2.169 0.885 0.913 0.933 0.667 CA 1.690 16 residues pruned to eliminate duplicates Z: 14 15.890 1.872 0.465 0.831 0.846 0.692 CB 1.427 14 residues pruned to eliminate duplicates Z: 14 25.349 2.083 0.578 0.883 1.000 0.923 CB 1.546 14 residues pruned to eliminate duplicates Z: 34 14.463 1.910 0.410 0.482 0.848 0.485 CB 1.122 13 residues pruned to eliminate duplicates Z: 12 30.333 2.174 0.953 0.908 1.000 0.727 CB 1.530 12 residues pruned to eliminate duplicates Z: 23 37.763 2.279 0.721 0.898 0.909 0.682 CB 1.615 23 residues pruned to eliminate duplicates Z: 9 15.713 1.953 0.425 0.905 1.000 0.875 CA 1.421 Z: 30 21.159 2.120 0.562 0.475 0.828 0.552 CB 1.470 15 residues pruned to eliminate duplicates Z: 22 38.978 2.111 0.852 0.915 0.952 0.619 CB 1.615 22 residues pruned to eliminate duplicates Z: 16 23.506 1.917 0.574 0.893 1.000 0.800 CA 1.445 Z: 14 24.758 2.092 0.601 0.892 0.923 0.769 CB 1.596 16 residues pruned to eliminate duplicates Z: 15 25.562 2.118 0.972 0.883 0.929 0.357 CB 1.274 15 residues pruned to eliminate duplicates Z: 26 36.318 2.026 0.801 0.886 0.960 0.800 CA 1.496 26 residues pruned to eliminate duplicates Z: 29 51.432 2.210 1.038 0.904 0.964 0.929 CA 1.595 29 residues pruned to eliminate duplicates Z: 16 34.413 2.150 0.612 0.929 1.000 0.933 CA 1.795 15 residues pruned to eliminate duplicates Z: 15 29.171 2.143 0.694 0.863 0.929 0.571 CB 1.697 15 residues pruned to eliminate duplicates Z: 15 22.015 1.965 0.733 0.808 0.929 0.571 CA 1.422 16 residues pruned to eliminate duplicates Z: 17 15.970 1.797 0.398 0.687 0.938 0.375 CB 1.428 10 residues pruned to eliminate duplicates Z: 11 11.504 1.880 0.325 0.703 0.900 0.600 CB 1.349 Z: 8 15.010 2.161 0.872 0.816 1.000 0.571 CB 1.066 8 residues pruned to eliminate duplicates Z: 31 43.908 2.099 0.783 0.927 0.967 0.900 CA 1.553 31 residues pruned to eliminate duplicates Z: 12 22.953 2.238 0.737 0.858 0.818 0.727 CA 1.603 12 residues pruned to eliminate duplicates Z: 31 53.819 2.263 0.862 0.928 0.967 0.567 CB 1.690 30 residues pruned to eliminate duplicates Z: 13 14.493 2.022 0.377 0.735 0.750 0.750 CA 1.622 13 residues pruned to eliminate duplicates Z: 6 15.238 1.876 0.685 0.871 1.000 1.000 CA 1.573 6 residues pruned to eliminate duplicates Z: 31 53.117 2.229 0.989 0.931 1.000 0.467 CB 1.529 32 residues pruned to eliminate duplicates Z: 13 21.643 1.943 0.428 0.891 1.000 0.833 N 1.619 13 residues pruned to eliminate duplicates Z: 15 26.420 1.882 0.996 0.913 0.929 0.571 CA 1.433 14 residues pruned to eliminate duplicates Z: 23 42.032 2.168 0.750 0.939 1.000 1.000 CA 1.642 23 residues pruned to eliminate duplicates Z: 26 43.197 2.084 1.051 0.905 1.000 0.560 CB 1.439 26 residues pruned to eliminate duplicates Z: 7 12.225 2.063 0.274 0.670 1.000 0.667 CB 1.623 Z: 25 34.948 1.935 0.987 0.877 0.875 0.500 CB 1.540 24 residues pruned to eliminate duplicates Z: 23 50.027 2.318 0.863 0.933 0.955 0.682 CA 1.806 23 residues pruned to eliminate duplicates Z: 13 29.672 2.227 0.767 0.886 1.000 0.750 CB 1.570 13 residues pruned to eliminate duplicates Z: 13 21.490 2.063 0.946 0.797 0.917 0.667 CB 1.300 12 residues pruned to eliminate duplicates Z: 9 13.200 2.021 0.207 0.754 0.875 0.625 CB 1.743 9 residues pruned to eliminate duplicates Z: 16 16.553 1.846 0.489 0.819 0.867 0.600 CB 1.361 15 residues pruned to eliminate duplicates Z: 29 37.752 2.111 0.809 0.900 0.893 0.857 CA 1.494 29 residues pruned to eliminate duplicates Z: 14 20.343 1.866 0.835 0.899 0.923 0.846 CB 1.276 14 residues pruned to eliminate duplicates Z: 32 26.111 1.830 0.410 0.867 0.903 0.839 CA 1.471 Z: 11 25.210 2.013 0.809 0.812 1.000 0.500 CA 1.668 11 residues pruned to eliminate duplicates Z: 16 28.064 2.154 0.510 0.877 1.000 0.800 CB 1.617 16 residues pruned to eliminate duplicates Z: 16 24.142 2.134 0.466 0.845 0.933 0.867 CA 1.587 16 residues pruned to eliminate duplicates Z: 29 55.048 2.116 1.046 0.935 1.000 0.571 CA 1.674 29 residues pruned to eliminate duplicates Z: 9 23.660 2.114 0.765 0.886 1.000 0.750 CA 1.617 9 residues pruned to eliminate duplicates Z: 20 25.147 1.826 0.762 0.861 1.000 0.632 CB 1.317 20 residues pruned to eliminate duplicates Z: 9 19.909 2.175 0.670 0.845 0.875 0.875 CB 1.646 9 residues pruned to eliminate duplicates Z: 12 25.682 2.107 0.635 0.862 1.000 0.636 CA 1.650 12 residues pruned to eliminate duplicates Z: 12 29.031 2.102 0.704 0.891 1.000 0.909 CB 1.756 13 residues pruned to eliminate duplicates Z: 7 4.987 1.869 -0.103 0.687 1.000 0.500 CB 1.024 Z: 6 10.521 2.261 0.164 0.617 1.000 0.800 CB 1.600 6 residues pruned to eliminate duplicates Z: 19 30.687 2.102 0.749 0.884 1.000 0.889 CA 1.421 19 residues pruned to eliminate duplicates Z: 31 56.967 2.291 0.908 0.945 0.967 0.733 CB 1.703 31 residues pruned to eliminate duplicates Z: 13 20.163 1.986 0.818 0.823 0.833 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 36 51.797 2.321 0.965 0.769 0.943 0.800 CB 1.605 33 residues pruned to eliminate duplicates Z: 28 48.760 2.194 0.826 0.949 1.000 0.889 CA 1.616 28 residues pruned to eliminate duplicates Z: 11 14.116 2.136 0.269 0.791 0.900 0.900 CB 1.417 11 residues pruned to eliminate duplicates Z: 19 24.107 1.970 0.851 0.890 0.889 0.667 CB 1.261 19 residues pruned to eliminate duplicates Z: 31 42.660 2.216 0.549 0.956 0.967 0.867 CB 1.612 31 residues pruned to eliminate duplicates Z: 24 25.419 1.935 0.279 0.914 1.000 0.826 CA 1.515 24 residues pruned to eliminate duplicates Z: 15 18.965 1.901 0.528 0.898 1.000 0.714 CB 1.249 15 residues pruned to eliminate duplicates Z: 7 24.721 2.243 0.982 0.857 1.000 0.833 CB 1.673 7 residues pruned to eliminate duplicates Z: 7 10.039 2.158 -0.085 0.836 1.000 0.833 CB 1.553 7 residues pruned to eliminate duplicates Z: 9 18.505 2.219 0.548 0.799 0.875 0.750 CA 1.676 9 residues pruned to eliminate duplicates Z: 11 19.862 2.187 0.440 0.788 1.000 0.900 CA 1.548 11 residues pruned to eliminate duplicates Z: 6 8.618 2.077 0.558 0.768 0.800 0.600 CA 1.174 Z: 27 36.605 1.989 0.560 0.916 1.000 0.731 CB 1.634 29 residues pruned to eliminate duplicates Z: 22 30.769 2.072 0.474 0.920 0.952 0.762 CB 1.626 22 residues pruned to eliminate duplicates Z: 30 49.217 2.268 0.971 0.931 0.897 0.448 CB 1.593 30 residues pruned to eliminate duplicates Z: 16 29.904 2.145 0.776 0.877 0.867 0.600 CB 1.699 16 residues pruned to eliminate duplicates Z: 12 17.720 2.116 0.580 0.835 0.909 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 10 11.335 1.797 0.448 0.776 0.889 0.667 CB 1.280 11 residues pruned to eliminate duplicates Z: 15 18.915 1.972 0.478 0.840 0.929 0.714 CA 1.393 15 residues pruned to eliminate duplicates Z: 14 35.303 2.078 1.227 0.883 1.000 0.615 CB 1.530 14 residues pruned to eliminate duplicates Z: 68 47.421 2.177 0.759 0.576 0.925 0.642 CB 1.519 72 residues pruned to eliminate duplicates Z: 80 47.882 2.229 0.619 0.552 0.886 0.633 CB 1.602 81 residues pruned to eliminate duplicates Z: 37 42.194 2.163 0.709 0.859 0.917 0.583 CB 1.528 40 residues pruned to eliminate duplicates Z: 30 52.832 2.320 0.692 0.942 1.000 0.828 CB 1.734 30 residues pruned to eliminate duplicates Z: 9 16.559 2.172 0.605 0.812 0.875 0.625 CB 1.462 9 residues pruned to eliminate duplicates Z: 23 21.432 2.140 0.617 0.576 0.864 0.500 CB 1.420 22 residues pruned to eliminate duplicates Z: 13 16.954 1.912 0.550 0.804 0.917 0.583 CB 1.381 13 residues pruned to eliminate duplicates Z: 22 29.050 2.017 0.825 0.910 0.857 0.714 CB 1.425 22 residues pruned to eliminate duplicates Z: 18 28.743 1.981 0.731 0.847 1.000 0.824 CA 1.510 17 residues pruned to eliminate duplicates Z: 15 27.859 2.198 0.487 0.909 0.929 0.571 CB 1.742 15 residues pruned to eliminate duplicates Z: 13 20.487 2.019 0.565 0.885 1.000 0.750 CB 1.351 13 residues pruned to eliminate duplicates Z: 12 18.483 1.921 0.340 0.863 1.000 0.727 CA 1.588 12 residues pruned to eliminate duplicates Z: 9 16.477 1.804 0.770 0.818 1.000 0.750 CB 1.384 9 residues pruned to eliminate duplicates Z: 17 26.194 2.096 0.737 0.819 0.875 0.625 CA 1.558 17 residues pruned to eliminate duplicates Z: 14 25.216 2.175 0.596 0.848 0.923 0.462 CB 1.619 14 residues pruned to eliminate duplicates Z: 9 20.498 2.297 0.455 0.895 1.000 1.000 CB 1.555 9 residues pruned to eliminate duplicates Z: 23 38.310 2.064 0.849 0.906 0.955 0.773 CA 1.594 23 residues pruned to eliminate duplicates Z: 14 24.048 2.065 0.516 0.893 1.000 0.769 CB 1.530 14 residues pruned to eliminate duplicates Z: 18 18.993 1.879 0.587 0.782 0.941 0.471 CB 1.280 18 residues pruned to eliminate duplicates Z: 10 10.196 1.622 0.502 0.809 0.778 0.556 N 1.370 10 residues pruned to eliminate duplicates Z: 25 27.078 1.980 0.539 0.845 0.917 0.750 CB 1.471 25 residues pruned to eliminate duplicates Z: 26 32.549 2.047 1.006 0.880 0.840 0.600 CB 1.368 26 residues pruned to eliminate duplicates Z: 10 7.054 1.879 -0.064 0.843 1.000 0.889 CB 0.996 Z: 32 44.072 2.035 1.012 0.908 0.935 0.548 CB 1.467 32 residues pruned to eliminate duplicates Z: 12 21.871 2.120 0.504 0.863 1.000 0.818 CB 1.518 12 residues pruned to eliminate duplicates Z: 24 36.814 1.983 0.842 0.927 0.957 0.522 CB 1.540 24 residues pruned to eliminate duplicates Z: 48 27.733 2.014 0.672 0.536 0.894 0.511 CB 1.297 19 residues pruned to eliminate duplicates Z: 29 48.862 2.180 1.081 0.905 0.964 0.571 CB 1.503 29 residues pruned to eliminate duplicates Z: 23 51.800 2.296 1.034 0.939 0.955 0.591 CB 1.721 23 residues pruned to eliminate duplicates Z: 12 17.999 1.944 0.320 0.883 1.000 0.818 CB 1.529 Z: 30 23.604 2.147 0.545 0.519 0.862 0.621 CB 1.504 24 residues pruned to eliminate duplicates Z: 13 21.121 1.949 0.549 0.920 1.000 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 11 18.322 2.098 0.339 0.812 1.000 0.600 CB 1.572 11 residues pruned to eliminate duplicates Z: 12 38.799 2.426 0.905 0.893 1.000 0.636 CA 1.817 12 residues pruned to eliminate duplicates Z: 15 20.214 1.947 0.470 0.869 0.929 0.857 CA 1.485 15 residues pruned to eliminate duplicates Z: 8 13.346 1.910 0.531 0.863 0.857 0.714 CB 1.477 Z: 17 19.600 1.896 0.328 0.902 0.875 0.812 CA 1.587 Z: 16 26.956 2.106 0.562 0.826 1.000 0.667 CA 1.596 16 residues pruned to eliminate duplicates Z: 16 25.496 2.150 0.588 0.849 0.933 0.800 CA 1.532 16 residues pruned to eliminate duplicates Z: 11 19.188 2.177 0.277 0.838 1.000 0.600 CA 1.631 11 residues pruned to eliminate duplicates Z: 15 21.676 1.878 0.594 0.882 1.000 0.643 CA 1.401 14 residues pruned to eliminate duplicates Z: 9 11.786 1.882 0.330 0.783 0.875 0.750 N 1.483 9 residues pruned to eliminate duplicates Z: 36 24.938 2.048 0.680 0.571 0.914 0.571 CB 1.252 36 residues pruned to eliminate duplicates Z: 23 32.997 2.073 0.675 0.880 0.909 0.773 CB 1.615 23 residues pruned to eliminate duplicates Z: 17 19.094 1.958 0.621 0.788 0.938 0.875 CB 1.246 16 residues pruned to eliminate duplicates Z: 33 29.437 1.959 0.696 0.713 0.938 0.469 CB 1.377 Z: 30 36.103 1.921 0.674 0.897 0.966 0.655 CB 1.545 30 residues pruned to eliminate duplicates Z: 24 37.731 1.982 0.888 0.901 0.957 0.609 CB 1.569 24 residues pruned to eliminate duplicates Z: 23 38.825 2.180 0.798 0.890 1.000 0.591 CB 1.519 23 residues pruned to eliminate duplicates Z: 47 25.645 2.001 0.576 0.483 0.935 0.630 CB 1.305 47 residues pruned to eliminate duplicates Z: 12 10.434 1.772 0.284 0.715 1.000 0.364 CB 1.139 10 residues pruned to eliminate duplicates Z: 23 44.482 2.204 0.911 0.917 1.000 0.591 CA 1.589 23 residues pruned to eliminate duplicates Z: 13 19.904 1.877 0.559 0.918 1.000 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 11 20.632 2.044 0.544 0.865 1.000 0.800 CA 1.514 12 residues pruned to eliminate duplicates Z: 23 30.640 1.951 0.577 0.908 1.000 0.682 CB 1.508 23 residues pruned to eliminate duplicates Z: 12 23.301 2.125 0.635 0.871 0.909 0.818 CB 1.623 12 residues pruned to eliminate duplicates Z: 24 23.364 1.866 0.540 0.901 0.957 0.696 CB 1.265 20 residues pruned to eliminate duplicates Z: 26 33.459 2.049 0.656 0.904 0.920 0.800 CA 1.526 26 residues pruned to eliminate duplicates Z: 16 30.640 2.103 0.763 0.892 1.000 0.733 CA 1.533 16 residues pruned to eliminate duplicates Z: 27 37.654 2.000 0.634 0.923 1.000 0.692 CB 1.588 27 residues pruned to eliminate duplicates Z: 26 21.104 2.008 0.849 0.574 0.800 0.360 CB 1.323 26 residues pruned to eliminate duplicates Z: 12 4.338 1.633 -0.011 0.430 0.818 0.636 CB 1.064 Z: 26 33.068 2.050 0.704 0.915 0.960 0.880 CB 1.394 26 residues pruned to eliminate duplicates Z: 9 12.578 1.989 0.381 0.742 1.000 0.875 CB 1.304 Z: 17 19.737 2.029 0.154 0.886 1.000 0.812 CA 1.520 17 residues pruned to eliminate duplicates Z: 7 7.998 1.854 0.507 0.651 1.000 0.667 CA 1.015 7 residues pruned to eliminate duplicates Z: 13 14.857 1.935 0.447 0.862 0.917 0.750 CA 1.227 13 residues pruned to eliminate duplicates Z: 15 32.927 2.239 0.528 0.923 1.000 0.643 CB 1.808 15 residues pruned to eliminate duplicates Z: 12 35.742 2.465 0.669 0.914 1.000 0.727 CB 1.853 12 residues pruned to eliminate duplicates Z: 30 37.647 1.966 0.638 0.909 0.966 0.655 CB 1.595 30 residues pruned to eliminate duplicates Z: 25 26.048 1.959 0.348 0.873 0.917 0.792 CA 1.600 25 residues pruned to eliminate duplicates Z: 30 40.741 2.250 0.596 0.891 0.931 0.828 CA 1.627 30 residues pruned to eliminate duplicates Z: 8 14.195 1.878 0.832 0.842 0.857 0.857 CB 1.356 Z: 10 12.872 1.840 0.535 0.815 0.889 0.667 CA 1.300 Z: 58 32.477 2.055 0.693 0.517 0.807 0.632 CB 1.507 65 residues pruned to eliminate duplicates Z: 34 22.231 2.137 0.683 0.487 0.848 0.394 CB 1.284 34 residues pruned to eliminate duplicates Z: 11 25.123 2.191 0.486 0.841 1.000 0.800 CB 1.820 11 residues pruned to eliminate duplicates Z: 10 21.357 2.083 0.858 0.809 1.000 0.778 CA 1.405 10 residues pruned to eliminate duplicates Z: 8 12.679 2.142 0.418 0.471 1.000 0.714 CB 1.624 8 residues pruned to eliminate duplicates Z: 30 21.025 2.016 0.594 0.471 0.862 0.517 CB 1.452 19 residues pruned to eliminate duplicates Z: 7 9.878 2.012 0.440 0.806 1.000 0.833 CB 1.067 6 residues pruned to eliminate duplicates Z: 21 31.868 2.054 0.611 0.902 1.000 0.750 CB 1.536 21 residues pruned to eliminate duplicates Z: 16 24.849 2.070 0.481 0.876 0.933 0.800 CB 1.629 16 residues pruned to eliminate duplicates Z: 13 9.547 1.719 0.166 0.761 1.000 0.833 CB 1.090 12 residues pruned to eliminate duplicates Z: 17 27.165 2.113 0.544 0.841 1.000 0.812 CA 1.552 17 residues pruned to eliminate duplicates Z: 28 47.848 2.152 1.039 0.936 0.926 0.481 CB 1.578 28 residues pruned to eliminate duplicates Z: 20 29.675 2.068 0.862 0.913 0.947 0.632 CB 1.321 20 residues pruned to eliminate duplicates Z: 8 12.076 1.919 1.052 0.663 0.857 0.714 CB 1.162 8 residues pruned to eliminate duplicates Z: 8 8.468 1.790 0.132 0.863 1.000 0.857 CB 1.159 8 residues pruned to eliminate duplicates Z: 10 8.035 1.929 0.228 0.797 0.778 0.556 CB 1.121 10 residues pruned to eliminate duplicates Z: 13 11.666 1.961 0.383 0.453 0.833 0.500 CB 1.564 8 residues pruned to eliminate duplicates Z: 9 14.817 1.976 0.216 0.910 1.000 0.875 CB 1.546 9 residues pruned to eliminate duplicates Z: 14 22.076 2.046 0.394 0.866 0.923 0.692 CB 1.702 14 residues pruned to eliminate duplicates Z: 17 23.712 1.930 0.639 0.860 0.938 0.688 CB 1.470 17 residues pruned to eliminate duplicates Z: 6 5.721 1.910 -0.218 0.818 1.000 0.600 CB 1.298 6 residues pruned to eliminate duplicates Z: 24 34.689 2.038 0.564 0.923 1.000 0.739 CB 1.595 24 residues pruned to eliminate duplicates Z: 46 26.530 1.920 0.625 0.637 0.844 0.467 CB 1.320 46 residues pruned to eliminate duplicates Z: 13 9.280 2.008 0.352 0.543 0.917 0.500 CB 1.032 9 residues pruned to eliminate duplicates Z: 29 38.858 1.981 0.951 0.925 0.929 0.464 CB 1.437 29 residues pruned to eliminate duplicates Z: 9 18.171 2.126 0.315 0.900 1.000 1.000 CB 1.641 9 residues pruned to eliminate duplicates Z: 13 20.426 1.948 0.468 0.869 0.917 0.833 N 1.643 13 residues pruned to eliminate duplicates Z: 30 31.332 1.907 0.444 0.912 0.966 0.862 CA 1.550 30 residues pruned to eliminate duplicates Z: 49 28.586 2.032 0.726 0.545 0.896 0.604 CB 1.257 48 residues pruned to eliminate duplicates Z: 13 19.842 1.993 0.532 0.941 1.000 0.833 CB 1.302 13 residues pruned to eliminate duplicates Z: 16 18.285 1.928 0.302 0.909 0.933 0.867 CB 1.430 Z: 60 27.723 2.004 0.411 0.547 0.932 0.593 CB 1.307 65 residues pruned to eliminate duplicates Z: 12 23.371 2.044 0.550 0.924 1.000 0.727 CB 1.561 12 residues pruned to eliminate duplicates Z: 10 16.180 1.872 0.306 0.905 1.000 0.778 CB 1.570 10 residues pruned to eliminate duplicates Z: 24 22.748 1.958 0.305 0.889 0.957 0.913 CA 1.397 24 residues pruned to eliminate duplicates Z: 25 27.279 1.913 0.457 0.881 0.958 0.792 CA 1.509 25 residues pruned to eliminate duplicates Z: 8 12.231 1.898 0.438 0.784 0.857 0.714 N 1.538 8 residues pruned to eliminate duplicates Z: 12 18.123 2.198 0.336 0.839 1.000 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 10 18.343 2.083 0.593 0.819 1.000 0.889 CB 1.397 10 residues pruned to eliminate duplicates Z: 12 18.121 1.937 0.353 0.897 0.909 0.909 N 1.642 12 residues pruned to eliminate duplicates Z: 16 24.014 2.138 0.365 0.850 1.000 0.800 CA 1.574 16 residues pruned to eliminate duplicates Z: 29 29.991 1.963 0.461 0.923 0.893 0.536 CB 1.555 29 residues pruned to eliminate duplicates Z: 7 8.555 1.774 0.184 0.828 1.000 0.667 CA 1.252 7 residues pruned to eliminate duplicates Z: 8 14.605 1.782 0.585 0.810 1.000 0.714 CB 1.492 8 residues pruned to eliminate duplicates Z: 12 22.732 1.982 0.591 0.904 1.000 0.909 CA 1.548 11 residues pruned to eliminate duplicates Z: 15 22.171 2.016 0.488 0.898 1.000 0.571 CA 1.413 15 residues pruned to eliminate duplicates Z: 9 13.246 1.992 0.637 0.849 0.875 0.750 CA 1.217 8 residues pruned to eliminate duplicates Z: 14 16.217 1.933 0.645 0.481 0.923 0.462 CB 1.563 Z: 31 46.642 2.233 0.549 0.938 1.000 0.833 CA 1.712 31 residues pruned to eliminate duplicates Z: 12 9.146 1.642 0.259 0.868 0.909 0.636 CA 1.072 12 residues pruned to eliminate duplicates Z: 29 40.707 2.018 0.792 0.929 1.000 0.786 CB 1.488 25 residues pruned to eliminate duplicates Z: 30 38.807 1.954 0.800 0.939 0.931 0.552 CB 1.529 30 residues pruned to eliminate duplicates Z: 10 18.973 1.937 0.756 0.826 1.000 0.667 CB 1.402 10 residues pruned to eliminate duplicates Z: 39 58.914 2.343 0.884 0.828 1.000 0.816 CA 1.630 41 residues pruned to eliminate duplicates Z: 13 17.321 1.930 0.768 0.748 0.833 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 26 15.434 1.986 0.663 0.446 0.840 0.440 CB 1.177 17 residues pruned to eliminate duplicates Z: 27 35.030 2.004 0.745 0.908 0.923 0.846 CA 1.511 27 residues pruned to eliminate duplicates Z: 30 23.104 2.017 0.606 0.547 0.897 0.586 CB 1.410 35 residues pruned to eliminate duplicates Z: 17 18.603 1.792 0.325 0.887 1.000 0.875 CB 1.412 17 residues pruned to eliminate duplicates Z: 17 16.125 1.843 0.252 0.844 0.875 0.812 CB 1.486 17 residues pruned to eliminate duplicates Z: 7 5.252 1.920 -0.007 0.658 1.000 0.833 CB 0.971 Z: 11 21.375 2.077 0.445 0.938 1.000 0.900 CB 1.566 11 residues pruned to eliminate duplicates Z: 7 3.873 1.700 0.178 0.402 0.667 0.667 CB 1.313 Z: 15 33.258 2.173 0.772 0.887 0.929 0.714 CA 1.792 15 residues pruned to eliminate duplicates Z: 28 24.406 2.191 0.695 0.568 0.963 0.556 CB 1.230 28 residues pruned to eliminate duplicates Z: 13 34.928 2.334 1.128 0.853 0.917 0.667 CB 1.637 13 residues pruned to eliminate duplicates Z: 14 35.851 2.279 0.650 0.918 1.000 0.692 CA 1.865 14 residues pruned to eliminate duplicates Z: 11 3.302 1.972 0.045 0.308 0.700 0.400 CB 0.897 4 residues pruned to eliminate duplicates Z: 12 22.674 1.946 0.759 0.882 1.000 0.545 CB 1.445 11 residues pruned to eliminate duplicates Z: 8 11.805 1.979 0.336 0.685 0.857 0.571 CB 1.662 Z: 28 19.308 1.837 0.514 0.657 0.926 0.444 CB 1.247 23 residues pruned to eliminate duplicates Z: 14 15.913 2.053 0.513 0.654 0.846 0.692 CB 1.455 15 residues pruned to eliminate duplicates Z: 13 11.549 1.749 0.121 0.797 1.000 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 7 4.389 1.850 0.213 0.330 1.000 0.500 CB 0.961 7 residues pruned to eliminate duplicates Z: 31 19.225 2.084 0.578 0.374 0.833 0.500 CB 1.465 21 residues pruned to eliminate duplicates Z: 11 9.801 1.977 0.398 0.561 0.800 0.600 CA 1.320 11 residues pruned to eliminate duplicates Z: 11 20.900 2.068 0.903 0.893 0.900 0.400 CB 1.340 11 residues pruned to eliminate duplicates Z: 9 8.669 1.936 0.977 0.484 0.875 0.500 CB 0.930 Z: 31 47.828 2.284 0.593 0.940 0.967 0.833 CA 1.724 31 residues pruned to eliminate duplicates Z: 24 20.579 1.935 0.587 0.587 0.826 0.565 CB 1.557 24 residues pruned to eliminate duplicates Z: 24 27.716 2.031 0.384 0.884 0.957 0.870 CB 1.553 24 residues pruned to eliminate duplicates Z: 9 11.248 1.932 0.295 0.751 1.000 0.375 CB 1.271 9 residues pruned to eliminate duplicates Z: 15 16.685 1.999 0.611 0.813 0.857 0.643 CB 1.230 15 residues pruned to eliminate duplicates Z: 15 6.207 1.744 0.171 0.378 0.714 0.643 CB 1.294 15 residues pruned to eliminate duplicates Z: 10 14.023 1.905 0.714 0.892 0.889 0.222 CA 1.157 10 residues pruned to eliminate duplicates Z: 15 18.927 1.971 0.217 0.907 1.000 1.000 CB 1.499 15 residues pruned to eliminate duplicates Z: 13 17.613 1.890 0.870 0.835 0.917 0.583 CB 1.175 13 residues pruned to eliminate duplicates Z: 30 47.937 2.120 0.870 0.901 1.000 0.759 CB 1.603 30 residues pruned to eliminate duplicates Z: 12 31.325 2.351 0.630 0.894 1.000 0.909 CA 1.768 12 residues pruned to eliminate duplicates Z: 54 32.121 1.987 0.561 0.604 0.981 0.679 CB 1.313 49 residues pruned to eliminate duplicates Z: 13 14.511 1.800 0.732 0.881 1.000 0.833 CB 0.973 Z: 19 23.014 1.837 0.692 0.901 1.000 0.667 CB 1.246 19 residues pruned to eliminate duplicates Z: 17 15.902 2.153 0.489 0.517 0.812 0.438 CB 1.501 17 residues pruned to eliminate duplicates Z: 11 25.702 2.091 0.655 0.909 1.000 0.900 CB 1.667 11 residues pruned to eliminate duplicates Z: 7 6.305 1.761 0.631 0.525 0.667 0.500 N 1.311 Z: 23 25.983 1.882 0.675 0.821 0.955 0.636 CB 1.394 22 residues pruned to eliminate duplicates Z: 6 15.262 2.065 1.131 0.770 1.000 0.800 CA 1.221 6 residues pruned to eliminate duplicates Z: 31 48.956 2.238 0.876 0.928 0.933 0.600 CB 1.597 31 residues pruned to eliminate duplicates Z: 8 12.780 2.009 0.641 0.859 1.000 0.857 CA 1.078 8 residues pruned to eliminate duplicates Z: 7 28.060 2.304 1.014 0.902 1.000 1.000 CB 1.761 7 residues pruned to eliminate duplicates Z: 14 24.220 1.905 0.674 0.886 1.000 0.846 N 1.520 14 residues pruned to eliminate duplicates Z: 12 7.212 1.880 0.387 0.361 0.909 0.545 CB 1.065 Z: 22 39.475 2.128 0.755 0.928 1.000 0.714 CB 1.615 22 residues pruned to eliminate duplicates Z: 13 36.651 2.300 1.278 0.912 0.917 0.667 CB 1.560 13 residues pruned to eliminate duplicates Z: 14 32.958 2.191 0.880 0.878 1.000 0.692 CA 1.610 14 residues pruned to eliminate duplicates Z: 11 15.135 2.101 0.378 0.850 0.800 0.500 CB 1.530 11 residues pruned to eliminate duplicates Z: 16 21.347 2.066 0.252 0.908 0.933 0.800 CA 1.621 16 residues pruned to eliminate duplicates Z: 26 37.056 2.084 0.922 0.881 0.960 0.720 CB 1.395 26 residues pruned to eliminate duplicates Z: 29 30.871 1.957 0.319 0.909 1.000 0.857 CA 1.604 29 residues pruned to eliminate duplicates Z: 7 6.145 1.877 0.122 0.524 0.833 0.667 CB 1.395 7 residues pruned to eliminate duplicates Z: 66 30.111 1.969 0.517 0.576 0.923 0.662 CB 1.258 67 residues pruned to eliminate duplicates Z: 25 31.553 1.918 0.660 0.859 0.958 0.708 CB 1.554 25 residues pruned to eliminate duplicates Z: 16 25.260 2.188 0.494 0.844 0.933 0.933 CA 1.591 16 residues pruned to eliminate duplicates Z: 12 30.308 2.305 0.705 0.904 1.000 1.000 CA 1.657 12 residues pruned to eliminate duplicates Z: 6 16.360 2.204 0.513 0.866 1.000 1.000 CA 1.606 6 residues pruned to eliminate duplicates Z: 32 24.805 2.148 0.703 0.498 0.871 0.452 CB 1.402 35 residues pruned to eliminate duplicates Z: 22 19.124 1.801 0.363 0.798 1.000 0.762 CB 1.309 22 residues pruned to eliminate duplicates Z: 27 18.010 1.932 0.605 0.646 0.846 0.423 CB 1.175 13 residues pruned to eliminate duplicates Z: 18 21.610 2.011 0.624 0.714 0.941 0.471 CB 1.405 19 residues pruned to eliminate duplicates Z: 8 10.850 1.854 0.586 0.805 0.714 0.571 CA 1.496 8 residues pruned to eliminate duplicates Z: 13 20.906 1.946 0.455 0.854 1.000 0.750 CA 1.575 13 residues pruned to eliminate duplicates Z: 16 28.976 2.108 0.667 0.874 1.000 0.533 CA 1.551 16 residues pruned to eliminate duplicates Z: 18 7.145 1.750 0.496 0.327 0.824 0.412 CB 0.971 10 residues pruned to eliminate duplicates Z: 7 6.331 1.826 0.341 0.614 0.833 0.667 CB 1.137 7 residues pruned to eliminate duplicates Z: 20 17.199 2.147 0.696 0.549 0.737 0.474 CB 1.403 20 residues pruned to eliminate duplicates Z: 22 26.584 2.206 0.657 0.601 0.905 0.571 CB 1.593 23 residues pruned to eliminate duplicates Z: 8 16.066 2.307 0.232 0.896 1.000 1.000 CA 1.531 8 residues pruned to eliminate duplicates Z: 18 25.123 2.006 0.613 0.800 1.000 0.706 CA 1.448 18 residues pruned to eliminate duplicates Z: 15 26.921 1.992 0.643 0.857 1.000 0.786 N 1.620 16 residues pruned to eliminate duplicates Z: 12 10.935 2.033 0.364 0.512 0.818 0.364 CA 1.435 12 residues pruned to eliminate duplicates Z: 24 27.323 1.886 0.835 0.869 0.913 0.435 CB 1.317 25 residues pruned to eliminate duplicates Z: 14 17.692 1.956 0.668 0.790 0.846 0.538 CB 1.377 15 residues pruned to eliminate duplicates Z: 30 32.900 1.925 0.405 0.915 1.000 0.862 CA 1.596 30 residues pruned to eliminate duplicates Z: 7 4.053 1.934 0.255 0.313 0.833 0.500 CB 1.006 7 residues pruned to eliminate duplicates Z: 13 31.165 2.263 0.950 0.859 0.917 0.500 CB 1.636 13 residues pruned to eliminate duplicates Z: 12 20.552 1.898 0.764 0.924 1.000 0.636 CB 1.300 12 residues pruned to eliminate duplicates Z: 6 10.704 2.001 0.364 0.871 1.000 1.000 CB 1.280 6 residues pruned to eliminate duplicates Z: 25 43.167 2.194 0.893 0.901 1.000 0.750 CA 1.514 25 residues pruned to eliminate duplicates Z: 15 9.700 2.015 0.335 0.458 0.786 0.643 CB 1.280 15 residues pruned to eliminate duplicates Z: 11 7.192 1.775 0.395 0.428 0.800 0.800 CB 1.237 12 residues pruned to eliminate duplicates Z: 26 34.173 1.950 0.956 0.931 0.960 0.800 CB 1.304 26 residues pruned to eliminate duplicates Z: 18 25.661 1.953 0.785 0.835 0.941 0.706 CA 1.421 18 residues pruned to eliminate duplicates Z: 15 24.408 1.960 0.606 0.883 1.000 0.643 CB 1.498 15 residues pruned to eliminate duplicates Z: 14 29.032 2.117 0.472 0.933 1.000 0.923 CA 1.803 14 residues pruned to eliminate duplicates Z: 10 7.919 1.993 0.107 0.377 0.889 0.556 CB 1.534 Z: 16 24.983 1.872 0.621 0.873 1.000 0.733 CA 1.548 17 residues pruned to eliminate duplicates Z: 10 20.372 1.885 0.824 0.925 1.000 0.556 CB 1.387 10 residues pruned to eliminate duplicates Z: 25 24.071 1.872 0.642 0.895 0.875 0.625 CB 1.311 25 residues pruned to eliminate duplicates Z: 13 7.929 1.630 -0.101 0.914 1.000 0.917 CB 1.105 Z: 16 19.283 1.852 0.466 0.857 0.867 0.800 CA 1.559 16 residues pruned to eliminate duplicates Z: 14 15.929 1.945 0.291 0.778 1.000 0.769 CB 1.377 9 residues pruned to eliminate duplicates Z: 56 33.181 1.965 0.627 0.740 0.818 0.600 CB 1.379 53 residues pruned to eliminate duplicates Z: 16 18.802 1.967 0.268 0.917 0.933 0.733 CB 1.471 16 residues pruned to eliminate duplicates Z: 9 6.002 1.884 -0.189 0.910 1.000 0.875 CB 0.984 9 residues pruned to eliminate duplicates Z: 7 7.453 2.032 -0.012 0.876 1.000 0.833 CA 1.101 7 residues pruned to eliminate duplicates Z: 16 14.757 1.917 0.244 0.841 0.933 0.733 CB 1.277 16 residues pruned to eliminate duplicates Z: 25 24.063 1.837 0.497 0.885 0.958 0.625 CB 1.346 24 residues pruned to eliminate duplicates Z: 17 28.099 2.031 0.705 0.854 0.938 0.812 CA 1.599 17 residues pruned to eliminate duplicates Z: 29 54.539 2.242 0.902 0.944 1.000 0.643 CB 1.673 29 residues pruned to eliminate duplicates Z: 20 23.415 1.943 0.492 0.895 0.947 0.789 CB 1.402 20 residues pruned to eliminate duplicates Z: 17 23.999 2.089 0.672 0.752 0.875 0.625 CB 1.568 17 residues pruned to eliminate duplicates Z: 7 6.087 1.691 0.088 0.615 1.000 0.667 CB 1.211 7 residues pruned to eliminate duplicates Z: 9 20.161 2.091 0.437 0.852 1.000 0.875 CB 1.755 9 residues pruned to eliminate duplicates Z: 17 28.162 2.037 0.680 0.868 1.000 0.750 CA 1.504 17 residues pruned to eliminate duplicates Z: 11 15.528 1.732 0.526 0.905 1.000 0.800 CB 1.323 11 residues pruned to eliminate duplicates Z: 10 7.882 1.685 0.629 0.466 0.778 0.667 O 1.275 Z: 23 28.106 2.069 0.384 0.909 1.000 0.909 CA 1.486 23 residues pruned to eliminate duplicates Z: 9 19.842 2.065 0.857 0.814 0.875 0.750 CA 1.591 9 residues pruned to eliminate duplicates Z: 16 23.194 1.885 0.659 0.853 1.000 0.467 CB 1.415 16 residues pruned to eliminate duplicates Z: 62 29.838 1.964 0.475 0.566 0.934 0.672 CB 1.324 62 residues pruned to eliminate duplicates Z: 29 33.274 1.966 0.645 0.861 0.929 0.607 CB 1.539 29 residues pruned to eliminate duplicates Z: 16 25.436 2.173 0.503 0.832 0.933 0.867 CA 1.617 16 residues pruned to eliminate duplicates Z: 10 9.940 1.684 0.415 0.740 0.889 0.778 N 1.262 7 residues pruned to eliminate duplicates Z: 47 29.975 1.931 0.477 0.665 0.978 0.674 CB 1.360 47 residues pruned to eliminate duplicates Z: 15 19.036 1.887 0.693 0.900 0.857 0.643 CB 1.327 15 residues pruned to eliminate duplicates Z: 13 27.355 1.972 0.754 0.927 1.000 0.833 N 1.600 14 residues pruned to eliminate duplicates Z: 15 16.409 1.879 0.273 0.910 1.000 0.857 CB 1.300 15 residues pruned to eliminate duplicates Z: 60 56.272 2.171 0.958 0.615 0.983 0.661 CB 1.572 51 residues pruned to eliminate duplicates Z: 28 26.162 2.054 0.637 0.675 0.963 0.519 CB 1.324 24 residues pruned to eliminate duplicates Z: 8 10.439 1.678 0.888 0.822 0.857 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 24 9.012 1.656 0.439 0.318 0.826 0.478 CB 1.167 8 residues pruned to eliminate duplicates Z: 26 48.760 2.202 1.116 0.926 0.960 0.920 CA 1.528 26 residues pruned to eliminate duplicates Z: 23 35.224 2.027 0.735 0.883 1.000 0.500 CB 1.545 23 residues pruned to eliminate duplicates Z: 18 34.121 2.102 1.007 0.896 0.882 0.588 CB 1.592 18 residues pruned to eliminate duplicates Z: 22 14.053 1.938 0.528 0.441 0.810 0.429 CB 1.360 22 residues pruned to eliminate duplicates Z: 28 44.779 2.171 0.945 0.906 0.926 0.852 CB 1.568 28 residues pruned to eliminate duplicates Z: 7 8.420 1.768 0.302 0.729 1.000 0.833 CB 1.216 Z: 8 5.298 1.783 0.068 0.623 1.000 0.857 CB 0.937 7 residues pruned to eliminate duplicates Z: 9 10.868 1.824 0.799 0.726 0.875 0.500 CB 1.091 9 residues pruned to eliminate duplicates Z: 25 24.619 1.825 0.504 0.894 0.958 0.792 CB 1.370 25 residues pruned to eliminate duplicates Z: 19 7.941 1.676 0.397 0.444 0.833 0.500 CB 1.016 Z: 12 10.073 1.752 0.025 0.881 1.000 0.818 CB 1.225 13 residues pruned to eliminate duplicates Z: 7 12.061 2.175 0.183 0.846 1.000 0.500 CA 1.421 Z: 27 28.204 1.894 0.688 0.881 0.923 0.769 CA 1.357 27 residues pruned to eliminate duplicates Z: 13 10.282 1.748 0.094 0.848 0.833 0.583 CB 1.382 13 residues pruned to eliminate duplicates Z: 9 17.589 1.942 0.470 0.900 1.000 0.750 N 1.557 9 residues pruned to eliminate duplicates Z: 31 51.990 2.238 0.919 0.946 0.967 0.433 CB 1.581 31 residues pruned to eliminate duplicates Z: 13 31.037 2.151 0.856 0.881 0.917 0.583 CA 1.773 13 residues pruned to eliminate duplicates Z: 8 10.368 1.897 0.102 0.902 1.000 0.857 CA 1.337 8 residues pruned to eliminate duplicates Z: 44 30.323 2.218 0.737 0.455 0.884 0.512 CB 1.422 41 residues pruned to eliminate duplicates Z: 14 23.877 2.055 0.699 0.853 0.923 0.615 CB 1.519 14 residues pruned to eliminate duplicates Z: 15 19.903 1.844 0.462 0.836 0.929 0.571 CB 1.590 15 residues pruned to eliminate duplicates Z: 16 19.024 1.889 0.453 0.840 0.867 0.867 CB 1.542 16 residues pruned to eliminate duplicates Z: 9 19.010 2.042 0.751 0.846 0.875 0.625 CB 1.596 Z: 65 24.171 1.952 0.303 0.538 0.906 0.672 CB 1.262 65 residues pruned to eliminate duplicates Z: 27 45.703 2.248 0.817 0.924 1.000 0.846 CA 1.541 27 residues pruned to eliminate duplicates Z: 16 17.662 1.910 0.244 0.865 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 7 12.359 1.997 0.800 0.839 1.000 0.833 CA 1.049 7 residues pruned to eliminate duplicates Z: 9 7.042 1.700 0.018 0.604 1.000 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 26 19.071 1.846 0.743 0.689 0.880 0.480 CB 1.133 26 residues pruned to eliminate duplicates Z: 16 26.426 2.014 0.557 0.864 1.000 0.667 CA 1.596 16 residues pruned to eliminate duplicates Z: 12 24.806 2.064 0.695 0.889 1.000 0.636 CB 1.540 12 residues pruned to eliminate duplicates Z: 18 8.219 1.699 0.459 0.379 0.824 0.588 CB 1.111 13 residues pruned to eliminate duplicates Z: 11 3.765 1.654 0.155 0.361 0.600 0.500 CB 1.207 11 residues pruned to eliminate duplicates Z: 12 17.170 1.878 0.552 0.848 1.000 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 15 13.767 1.981 0.402 0.464 0.857 0.714 CB 1.604 14 residues pruned to eliminate duplicates Z: 7 11.853 1.976 0.659 0.773 1.000 0.667 CA 1.159 7 residues pruned to eliminate duplicates Z: 17 21.824 1.829 0.451 0.886 1.000 0.688 N 1.484 17 residues pruned to eliminate duplicates Z: 15 10.512 1.739 0.272 0.488 1.000 0.643 CB 1.286 19 residues pruned to eliminate duplicates Z: 12 11.852 1.827 0.728 0.840 0.909 0.727 CB 0.930 12 residues pruned to eliminate duplicates Z: 10 10.416 1.833 0.525 0.905 1.000 0.778 CA 0.884 10 residues pruned to eliminate duplicates Z: 28 25.312 2.052 0.603 0.643 0.963 0.556 CB 1.345 28 residues pruned to eliminate duplicates Z: 9 5.520 1.841 0.498 0.459 0.750 0.625 CB 0.984 9 residues pruned to eliminate duplicates Z: 10 20.536 2.153 0.437 0.863 1.000 0.778 CB 1.624 10 residues pruned to eliminate duplicates Z: 10 12.492 1.792 0.414 0.881 1.000 0.889 CA 1.190 10 residues pruned to eliminate duplicates Z: 16 19.348 1.901 0.479 0.872 0.867 0.800 CB 1.495 16 residues pruned to eliminate duplicates Z: 6 8.026 1.918 -0.014 0.722 1.000 0.800 CB 1.552 7 residues pruned to eliminate duplicates Z: 7 12.848 2.019 0.605 0.853 1.000 1.000 CA 1.197 7 residues pruned to eliminate duplicates Z: 15 20.994 1.972 0.491 0.888 0.929 0.571 CB 1.480 15 residues pruned to eliminate duplicates Z: 24 24.735 1.920 0.523 0.893 0.957 0.522 CB 1.324 24 residues pruned to eliminate duplicates Z: 10 10.931 1.970 0.326 0.815 0.889 0.556 CB 1.194 10 residues pruned to eliminate duplicates Z: 10 13.460 1.913 0.778 0.827 0.778 0.444 CB 1.278 10 residues pruned to eliminate duplicates Z: 10 13.787 1.867 0.319 0.880 1.000 0.556 CB 1.352 10 residues pruned to eliminate duplicates Z: 15 20.364 1.858 0.657 0.896 0.929 0.857 CB 1.364 15 residues pruned to eliminate duplicates Z: 7 6.991 1.745 0.353 0.644 1.000 0.667 CB 1.057 Z: 8 7.813 1.984 0.420 0.611 0.714 0.429 N 1.320 8 residues pruned to eliminate duplicates Z: 14 19.019 1.886 0.456 0.829 0.923 0.846 CB 1.566 14 residues pruned to eliminate duplicates Z: 15 16.935 1.966 0.464 0.853 0.929 0.500 CB 1.251 15 residues pruned to eliminate duplicates Z: 16 21.212 2.016 0.744 0.746 0.933 0.533 CB 1.339 16 residues pruned to eliminate duplicates Z: 27 38.088 1.939 0.815 0.923 1.000 0.423 CB 1.491 27 residues pruned to eliminate duplicates Z: 24 23.891 1.938 0.488 0.900 0.957 0.652 CB 1.290 24 residues pruned to eliminate duplicates Z: 38 27.966 1.985 0.631 0.733 0.892 0.486 CB 1.291 38 residues pruned to eliminate duplicates Z: 9 12.970 1.939 0.339 0.846 0.875 0.750 CB 1.499 9 residues pruned to eliminate duplicates Z: 12 14.751 1.721 0.473 0.925 1.000 0.727 CB 1.231 12 residues pruned to eliminate duplicates Z: 23 26.309 2.018 0.294 0.938 1.000 0.955 CA 1.493 23 residues pruned to eliminate duplicates Z: 28 26.060 2.086 0.498 0.690 0.926 0.815 CB 1.456 19 residues pruned to eliminate duplicates Z: 14 26.488 1.892 0.748 0.917 1.000 0.846 N 1.567 13 residues pruned to eliminate duplicates Z: 11 8.231 1.776 0.057 0.759 0.800 0.600 CB 1.376 11 residues pruned to eliminate duplicates Z: 8 10.914 2.041 0.289 0.626 1.000 0.857 CB 1.392 6 residues pruned to eliminate duplicates Z: 16 31.037 2.158 0.661 0.900 1.000 0.800 CA 1.596 16 residues pruned to eliminate duplicates Z: 15 7.469 1.784 0.376 0.292 0.714 0.357 N 1.437 10 residues pruned to eliminate duplicates Z: 29 18.354 1.891 0.696 0.671 0.786 0.393 CB 1.176 29 residues pruned to eliminate duplicates Z: 24 31.356 1.993 0.696 0.902 1.000 0.870 CA 1.379 24 residues pruned to eliminate duplicates Z: 6 2.997 1.551 0.218 0.523 0.800 0.600 CB 0.867 Z: 10 11.604 1.727 0.380 0.831 0.889 0.778 CB 1.371 10 residues pruned to eliminate duplicates 6 1.839 1.586 0.176 0.295 0.800 0.400 CB 0.694 ? Z: 7 11.801 1.691 0.525 0.864 1.000 0.833 CB 1.369 6 residues pruned to eliminate duplicates Z: 12 25.168 1.995 0.818 0.912 1.000 0.909 CB 1.482 12 residues pruned to eliminate duplicates Z: 9 14.264 1.909 0.575 0.846 1.000 0.500 N 1.246 9 residues pruned to eliminate duplicates Z: 13 25.663 2.019 0.594 0.921 1.000 0.917 CB 1.619 13 residues pruned to eliminate duplicates Z: 10 13.459 1.853 0.699 0.913 0.889 0.778 CB 1.135 10 residues pruned to eliminate duplicates Z: 41 44.980 2.064 0.803 0.842 0.950 0.475 CB 1.499 52 residues pruned to eliminate duplicates Z: 21 15.998 1.665 0.573 0.930 1.000 0.900 CB 0.955 21 residues pruned to eliminate duplicates Z: 89 54.013 2.166 0.843 0.524 0.932 0.614 CB 1.511 89 residues pruned to eliminate duplicates Z: 6 3.350 1.667 0.692 0.299 0.800 0.400 CB 0.830 Z: 13 25.033 1.835 0.781 0.912 1.000 0.750 CA 1.566 13 residues pruned to eliminate duplicates Z: 16 26.174 2.108 0.613 0.830 0.933 0.800 CA 1.602 16 residues pruned to eliminate duplicates Z: 23 26.941 1.945 0.497 0.886 0.955 0.818 CA 1.491 23 residues pruned to eliminate duplicates Z: 27 27.989 1.940 0.648 0.757 0.923 0.615 CB 1.480 27 residues pruned to eliminate duplicates Z: 18 16.146 1.999 0.573 0.601 0.824 0.588 CB 1.373 18 residues pruned to eliminate duplicates Z: 17 14.253 2.002 0.315 0.523 0.938 0.562 CB 1.411 15 residues pruned to eliminate duplicates Z: 17 8.803 1.825 0.327 0.360 0.875 0.500 CB 1.207 18 residues pruned to eliminate duplicates Z: 9 14.925 1.862 0.547 0.846 0.875 0.500 CA 1.556 9 residues pruned to eliminate duplicates Z: 6 8.525 2.163 0.160 0.732 1.000 0.800 CB 1.233 6 residues pruned to eliminate duplicates Z: 20 23.655 1.920 0.671 0.817 0.947 0.632 CB 1.356 20 residues pruned to eliminate duplicates Z: 28 36.148 1.974 0.913 0.888 0.926 0.704 CB 1.434 28 residues pruned to eliminate duplicates Z: 10 12.441 2.008 0.330 0.806 0.778 0.556 CB 1.528 10 residues pruned to eliminate duplicates Z: 7 2.998 1.734 0.370 0.255 0.667 0.333 CB 1.024 Z: 6 5.631 1.732 0.462 0.695 0.800 0.600 CB 1.040 6 residues pruned to eliminate duplicates Z: 13 23.525 1.894 1.154 0.891 0.833 0.583 CB 1.436 13 residues pruned to eliminate duplicates Z: 15 13.670 1.968 0.378 0.520 0.857 0.786 CB 1.541 15 residues pruned to eliminate duplicates Z: 49 24.260 2.022 0.648 0.454 0.875 0.500 CB 1.259 49 residues pruned to eliminate duplicates Z: 9 10.740 1.940 0.308 0.784 1.000 1.000 CB 1.166 9 residues pruned to eliminate duplicates Z: 17 21.750 1.833 0.396 0.899 1.000 0.938 CA 1.519 17 residues pruned to eliminate duplicates Z: 7 6.300 1.751 -0.071 0.813 0.833 0.667 CA 1.445 7 residues pruned to eliminate duplicates Z: 45 25.592 2.155 0.610 0.481 0.864 0.545 CB 1.312 70 residues pruned to eliminate duplicates Z: 10 14.887 2.011 0.358 0.799 1.000 0.667 CB 1.399 10 residues pruned to eliminate duplicates Z: 22 15.442 1.665 0.365 0.882 1.000 0.810 CB 1.072 21 residues pruned to eliminate duplicates Z: 35 27.787 1.978 0.771 0.749 0.853 0.529 CB 1.276 35 residues pruned to eliminate duplicates Z: 14 30.846 2.215 0.750 0.921 0.923 0.385 CB 1.682 14 residues pruned to eliminate duplicates Z: 7 6.595 2.160 0.142 0.257 1.000 0.500 CB 1.442 7 residues pruned to eliminate duplicates Z: 21 16.106 1.735 0.322 0.929 1.000 0.900 CB 1.099 22 residues pruned to eliminate duplicates 6 0.432 1.339 -0.324 0.296 0.600 0.600 CB 0.447 ? Z: 22 28.597 2.056 0.701 0.900 0.952 0.905 CA 1.338 22 residues pruned to eliminate duplicates Z: 13 18.730 2.059 0.237 0.919 1.000 0.833 CB 1.497 13 residues pruned to eliminate duplicates Z: 6 2.760 1.676 0.539 0.480 1.000 0.400 CB 0.488 Z: 28 47.327 2.164 1.002 0.933 0.963 0.519 CB 1.524 28 residues pruned to eliminate duplicates Z: 25 20.150 2.216 0.467 0.577 0.875 0.458 CB 1.344 25 residues pruned to eliminate duplicates Z: 22 29.461 2.083 0.430 0.946 0.952 0.905 CB 1.568 22 residues pruned to eliminate duplicates Z: 7 6.281 1.693 0.119 0.397 1.000 0.667 N 1.509 Z: 29 44.761 2.294 0.652 0.934 1.000 0.500 CB 1.557 29 residues pruned to eliminate duplicates Z: 23 30.832 2.081 0.465 0.901 1.000 0.818 CB 1.539 23 residues pruned to eliminate duplicates Z: 27 30.541 2.079 0.838 0.613 1.000 0.615 CB 1.408 28 residues pruned to eliminate duplicates Z: 31 39.947 2.247 0.420 0.921 0.967 0.867 CA 1.664 31 residues pruned to eliminate duplicates Z: 10 16.528 1.806 0.505 0.817 1.000 0.667 CA 1.539 10 residues pruned to eliminate duplicates Z: 30 32.753 1.938 0.367 0.910 1.000 0.897 CA 1.628 30 residues pruned to eliminate duplicates Z: 6 3.494 1.868 0.461 0.424 0.600 0.600 CB 1.033 8 residues pruned to eliminate duplicates Z: 24 26.432 1.918 0.628 0.870 0.957 0.739 CB 1.348 25 residues pruned to eliminate duplicates Z: 22 20.824 1.831 0.778 0.726 0.905 0.619 CB 1.258 22 residues pruned to eliminate duplicates Z: 13 9.798 1.481 0.303 0.890 1.000 0.750 CB 1.054 Z: 23 26.989 1.968 0.573 0.929 1.000 0.682 CB 1.301 23 residues pruned to eliminate duplicates Z: 17 9.357 1.824 0.206 0.526 0.812 0.625 CB 1.276 Z: 15 13.182 1.753 0.182 0.881 0.929 0.857 CA 1.326 15 residues pruned to eliminate duplicates Z: 10 12.442 1.989 0.482 0.743 0.889 0.444 CB 1.273 10 residues pruned to eliminate duplicates Z: 16 22.387 1.940 0.628 0.891 0.867 0.733 CB 1.518 15 residues pruned to eliminate duplicates Z: 11 10.851 1.702 0.246 0.814 1.000 0.800 CB 1.232 11 residues pruned to eliminate duplicates Z: 23 12.086 1.964 0.561 0.214 0.909 0.500 CB 1.295 23 residues pruned to eliminate duplicates Z: 22 16.546 1.673 0.330 0.922 1.000 0.952 CB 1.141 21 residues pruned to eliminate duplicates Z: 13 10.043 1.578 0.145 0.896 1.000 0.750 CB 1.149 12 residues pruned to eliminate duplicates Z: 24 24.152 2.148 0.644 0.566 0.913 0.565 CB 1.465 26 residues pruned to eliminate duplicates Z: 13 26.591 2.109 0.567 0.922 1.000 0.917 CB 1.633 13 residues pruned to eliminate duplicates Z: 9 18.424 2.009 0.667 0.768 1.000 0.750 CA 1.534 9 residues pruned to eliminate duplicates Z: 56 31.502 1.910 0.546 0.703 0.909 0.509 CB 1.315 56 residues pruned to eliminate duplicates Z: 9 10.631 1.912 0.389 0.853 0.750 0.625 CA 1.396 9 residues pruned to eliminate duplicates Z: 12 21.980 2.107 0.597 0.811 0.909 0.818 CB 1.654 12 residues pruned to eliminate duplicates Z: 30 41.839 1.970 0.822 0.926 0.966 0.586 CB 1.573 30 residues pruned to eliminate duplicates Z: 36 20.940 2.085 0.400 0.425 0.914 0.543 CB 1.434 36 residues pruned to eliminate duplicates Z: 16 18.320 1.985 0.741 0.736 0.867 0.600 CB 1.278 16 residues pruned to eliminate duplicates Z: 14 27.418 2.140 0.613 0.854 1.000 0.692 CA 1.627 14 residues pruned to eliminate duplicates Z: 19 14.561 1.961 0.668 0.469 0.778 0.611 CB 1.392 27 residues pruned to eliminate duplicates Z: 12 7.880 1.914 0.343 0.478 0.727 0.636 CB 1.300 12 residues pruned to eliminate duplicates Z: 22 26.992 2.031 0.869 0.713 0.905 0.619 CB 1.414 22 residues pruned to eliminate duplicates Z: 13 18.127 1.821 1.000 0.913 0.833 0.500 CB 1.219 13 residues pruned to eliminate duplicates Z: 11 14.106 1.951 0.414 0.886 1.000 0.700 CB 1.166 11 residues pruned to eliminate duplicates Z: 14 7.621 1.945 0.112 0.427 0.846 0.538 CB 1.245 14 residues pruned to eliminate duplicates Z: 17 16.205 1.769 0.356 0.912 0.938 0.812 CB 1.276 Z: 13 13.200 1.836 0.133 0.867 0.917 0.667 CB 1.461 Z: 83 57.448 2.198 0.819 0.633 0.915 0.622 CB 1.531 92 residues pruned to eliminate duplicates Z: 14 15.641 2.068 0.561 0.811 0.769 0.538 CB 1.332 14 residues pruned to eliminate duplicates Z: 10 5.646 2.171 0.207 0.338 0.778 0.444 CB 1.102 10 residues pruned to eliminate duplicates Z: 14 22.168 2.114 0.591 0.858 1.000 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 17 22.708 2.058 0.416 0.857 1.000 0.688 CA 1.435 17 residues pruned to eliminate duplicates Z: 8 4.946 1.589 0.712 0.373 0.714 0.286 CA 1.102 Z: 6 5.262 1.849 0.108 0.473 0.800 0.600 CB 1.476 6 residues pruned to eliminate duplicates Z: 15 30.922 2.190 0.566 0.895 1.000 0.786 CB 1.727 15 residues pruned to eliminate duplicates Z: 18 24.482 2.001 0.518 0.828 1.000 0.882 CA 1.473 18 residues pruned to eliminate duplicates Z: 16 15.137 1.777 0.196 0.912 0.933 0.867 O 1.394 16 residues pruned to eliminate duplicates Z: 6 7.425 1.389 0.644 0.859 1.000 1.000 O 1.070 5 residues pruned to eliminate duplicates Z: 19 22.039 1.778 0.774 0.886 0.944 0.833 CB 1.258 19 residues pruned to eliminate duplicates Z: 13 14.622 1.898 0.375 0.793 0.917 0.500 CB 1.364 13 residues pruned to eliminate duplicates Z: 24 23.538 1.933 0.577 0.863 0.870 0.522 CB 1.359 24 residues pruned to eliminate duplicates Z: 13 11.192 1.635 0.239 0.835 1.000 0.583 CB 1.196 12 residues pruned to eliminate duplicates Z: 9 3.990 1.630 0.594 0.479 0.750 0.500 CB 0.739 10 residues pruned to eliminate duplicates Z: 8 3.397 1.795 0.315 0.383 0.714 0.429 CB 0.863 Z: 13 8.452 1.916 0.512 0.334 0.833 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 12 32.430 2.271 0.719 0.851 1.000 0.545 CB 1.855 12 residues pruned to eliminate duplicates Z: 14 17.243 1.881 0.185 0.895 1.000 0.846 O 1.538 14 residues pruned to eliminate duplicates Z: 6 10.585 1.995 0.263 0.813 1.000 0.800 CB 1.430 6 residues pruned to eliminate duplicates Z: 19 13.942 2.061 0.513 0.464 0.833 0.611 CB 1.312 19 residues pruned to eliminate duplicates Z: 7 3.261 1.632 0.019 0.418 0.833 0.500 CB 1.047 Z: 23 37.529 2.050 0.821 0.911 1.000 0.773 CB 1.519 23 residues pruned to eliminate duplicates Z: 25 39.393 2.044 1.008 0.859 1.000 0.583 CB 1.442 25 residues pruned to eliminate duplicates Z: 25 19.747 2.068 0.441 0.556 0.958 0.667 CB 1.338 26 residues pruned to eliminate duplicates Z: 13 6.784 1.723 0.515 0.427 0.667 0.417 CB 1.214 13 residues pruned to eliminate duplicates Z: 28 43.044 2.173 0.730 0.919 1.000 0.926 CA 1.553 28 residues pruned to eliminate duplicates Z: 10 8.417 1.975 0.120 0.774 0.778 0.667 CB 1.280 10 residues pruned to eliminate duplicates Z: 10 12.186 1.709 0.392 0.831 1.000 0.667 CA 1.283 10 residues pruned to eliminate duplicates Z: 11 13.868 1.923 0.267 0.774 0.900 0.500 CB 1.570 11 residues pruned to eliminate duplicates Z: 10 9.431 2.019 0.349 0.641 1.000 0.778 CB 1.012 10 residues pruned to eliminate duplicates 7 1.390 1.572 0.030 0.432 0.833 0.500 CB 0.451 ? Z: 9 17.649 1.854 0.782 0.870 1.000 0.750 CB 1.379 9 residues pruned to eliminate duplicates Z: 8 4.482 1.675 0.382 0.343 0.857 0.429 CB 1.012 Z: 22 37.729 2.065 0.868 0.921 1.000 0.762 CB 1.501 22 residues pruned to eliminate duplicates Z: 46 26.311 2.057 0.666 0.527 0.844 0.556 CB 1.319 46 residues pruned to eliminate duplicates Z: 15 10.227 1.663 0.270 0.887 0.857 0.714 CB 1.088 14 residues pruned to eliminate duplicates Z: 9 11.201 1.927 0.469 0.893 0.875 0.625 CB 1.148 9 residues pruned to eliminate duplicates Z: 16 21.577 1.903 0.570 0.888 0.933 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 9 9.218 1.977 0.197 0.517 1.000 0.875 CB 1.353 8 residues pruned to eliminate duplicates Z: 37 23.387 1.957 0.525 0.624 0.861 0.472 CB 1.348 37 residues pruned to eliminate duplicates Z: 20 35.871 2.116 0.984 0.938 0.947 0.684 CB 1.438 20 residues pruned to eliminate duplicates Z: 8 5.951 1.793 0.530 0.599 0.714 0.429 CB 1.044 8 residues pruned to eliminate duplicates Z: 13 21.812 1.910 0.908 0.936 0.917 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 35 37.694 2.172 0.948 0.689 0.882 0.735 CA 1.457 35 residues pruned to eliminate duplicates Z: 11 17.277 2.102 0.556 0.811 1.000 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 12 15.961 1.879 0.622 0.808 0.818 0.636 CA 1.476 12 residues pruned to eliminate duplicates Z: 13 23.288 1.982 0.684 0.906 0.917 0.833 N 1.563 13 residues pruned to eliminate duplicates Z: 9 19.099 1.958 0.678 0.868 1.000 0.750 CA 1.503 9 residues pruned to eliminate duplicates Z: 15 12.254 1.651 0.716 0.849 0.857 0.643 CB 1.000 12 residues pruned to eliminate duplicates Z: 36 45.904 2.240 0.961 0.684 0.943 0.686 CB 1.583 36 residues pruned to eliminate duplicates Z: 12 10.307 1.539 0.563 0.727 1.000 0.545 CB 1.053 Z: 16 13.472 1.667 0.558 0.866 0.933 0.800 CB 1.050 16 residues pruned to eliminate duplicates Z: 8 13.943 2.211 1.006 0.710 0.714 0.571 CB 1.375 8 residues pruned to eliminate duplicates Z: 11 19.986 2.253 0.178 0.872 1.000 0.700 CB 1.736 11 residues pruned to eliminate duplicates Z: 10 5.064 1.654 0.605 0.515 0.667 0.556 CB 0.940 Z: 7 2.790 1.585 0.230 0.396 0.667 0.333 CB 0.978 6 residues pruned to eliminate duplicates Z: 9 5.378 1.697 0.472 0.277 0.875 0.500 N 1.120 Z: 17 19.851 1.782 0.580 0.859 0.938 0.812 CB 1.382 17 residues pruned to eliminate duplicates Z: 9 10.651 1.731 0.167 0.862 1.000 0.875 CB 1.369 8 residues pruned to eliminate duplicates Z: 10 4.899 1.662 0.314 0.316 0.778 0.556 CB 1.178 Z: 14 18.865 1.960 0.425 0.855 1.000 0.692 CA 1.382 14 residues pruned to eliminate duplicates Z: 12 17.355 1.976 0.350 0.851 0.909 0.818 CB 1.597 12 residues pruned to eliminate duplicates Z: 12 14.168 1.762 0.420 0.884 1.000 0.818 CA 1.234 12 residues pruned to eliminate duplicates Z: 11 11.983 1.878 0.191 0.872 0.900 0.800 CB 1.373 13 residues pruned to eliminate duplicates Z: 15 18.711 1.847 0.302 0.892 1.000 0.857 CA 1.494 15 residues pruned to eliminate duplicates Z: 27 23.981 2.097 0.750 0.501 0.923 0.462 CB 1.388 27 residues pruned to eliminate duplicates Z: 9 11.209 2.047 0.154 0.795 1.000 0.625 CB 1.295 9 residues pruned to eliminate duplicates Z: 76 43.302 2.101 0.703 0.545 0.880 0.587 CB 1.519 76 residues pruned to eliminate duplicates Z: 13 13.683 1.746 0.396 0.886 0.833 0.750 CB 1.402 12 residues pruned to eliminate duplicates Z: 17 14.896 1.618 0.420 0.876 1.000 0.875 CB 1.178 16 residues pruned to eliminate duplicates Z: 17 26.488 2.003 0.690 0.897 0.938 0.812 CB 1.493 17 residues pruned to eliminate duplicates Z: 28 38.912 2.143 0.823 0.915 0.926 0.778 CB 1.463 28 residues pruned to eliminate duplicates Z: 12 4.794 1.581 0.316 0.420 0.727 0.636 CB 1.039 Z: 19 16.795 1.749 0.401 0.815 0.889 0.667 CB 1.382 19 residues pruned to eliminate duplicates Z: 24 36.268 2.008 0.919 0.903 0.957 0.348 CB 1.462 24 residues pruned to eliminate duplicates Z: 13 28.914 1.969 1.031 0.910 1.000 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 10 8.549 1.893 0.322 0.873 1.000 0.556 CB 0.829 10 residues pruned to eliminate duplicates Z: 8 2.194 1.757 0.454 0.187 0.429 0.143 CB 1.102 8 residues pruned to eliminate duplicates Z: 30 23.550 2.090 0.613 0.507 0.897 0.621 CB 1.436 27 residues pruned to eliminate duplicates Z: 12 15.909 1.878 0.279 0.927 1.000 0.909 CB 1.400 12 residues pruned to eliminate duplicates Z: 7 10.542 1.727 0.573 0.828 1.000 0.667 CB 1.192 7 residues pruned to eliminate duplicates Z: 9 10.589 1.869 0.648 0.685 1.000 0.875 CB 1.026 9 residues pruned to eliminate duplicates Z: 12 13.221 1.830 0.667 0.706 0.818 0.545 CB 1.324 12 residues pruned to eliminate duplicates 6 0.996 1.713 0.668 0.299 0.600 0.600 CB 0.325 ? Z: 6 3.532 1.535 0.468 0.478 0.600 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 30 42.706 1.954 1.008 0.930 1.000 0.517 CB 1.414 30 residues pruned to eliminate duplicates Z: 19 19.337 1.891 0.444 0.856 0.889 0.778 CB 1.385 19 residues pruned to eliminate duplicates Z: 19 26.994 2.062 0.585 0.912 0.944 0.889 CA 1.461 19 residues pruned to eliminate duplicates Z: 15 13.478 1.914 0.467 0.465 0.857 0.500 CB 1.551 15 residues pruned to eliminate duplicates Z: 6 4.917 1.878 -0.001 0.863 1.000 0.800 CB 0.860 Z: 13 15.289 1.817 0.440 0.851 0.917 0.667 CB 1.362 12 residues pruned to eliminate duplicates Z: 10 11.952 1.869 0.266 0.841 1.000 0.778 CB 1.255 10 residues pruned to eliminate duplicates Z: 10 18.046 2.060 0.374 0.894 1.000 0.889 CB 1.524 10 residues pruned to eliminate duplicates Z: 88 45.134 2.143 0.750 0.516 0.920 0.552 CB 1.381 87 residues pruned to eliminate duplicates Z: 7 3.861 1.947 0.267 0.284 0.833 0.333 CB 0.979 Z: 20 16.326 1.633 0.387 0.806 0.947 0.684 CB 1.336 17 residues pruned to eliminate duplicates Z: 7 7.394 1.838 0.023 0.707 1.000 0.500 CB 1.330 7 residues pruned to eliminate duplicates Z: 21 5.466 1.477 0.528 0.376 0.650 0.400 CB 0.952 Z: 29 32.622 1.935 0.611 0.937 0.964 0.929 CA 1.427 29 residues pruned to eliminate duplicates Z: 11 12.390 1.666 0.712 0.876 1.000 0.500 CB 0.998 11 residues pruned to eliminate duplicates Z: 16 12.476 1.658 0.599 0.842 0.933 0.800 CB 0.970 16 residues pruned to eliminate duplicates Z: 18 13.625 1.750 0.554 0.923 1.000 0.765 CB 0.854 18 residues pruned to eliminate duplicates Z: 10 7.200 1.468 0.379 0.853 1.000 0.667 CB 0.876 10 residues pruned to eliminate duplicates Z: 13 25.582 2.128 0.526 0.885 1.000 0.750 CB 1.642 13 residues pruned to eliminate duplicates Z: 13 25.580 1.972 0.636 0.932 1.000 0.917 N 1.599 13 residues pruned to eliminate duplicates Z: 7 6.858 1.765 0.237 0.467 0.833 0.667 C 1.591 5 residues pruned to eliminate duplicates Z: 34 16.409 2.065 0.601 0.343 0.818 0.455 CB 1.253 34 residues pruned to eliminate duplicates Z: 8 3.144 1.406 0.541 0.364 0.714 0.429 CB 0.888 Z: 14 26.201 1.930 0.871 0.901 0.923 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 15 12.342 1.657 0.098 0.921 1.000 1.000 O 1.275 15 residues pruned to eliminate duplicates Z: 6 3.697 1.893 0.466 0.850 1.000 0.800 CB 0.441 Z: 20 16.995 1.890 0.605 0.638 0.947 0.579 CB 1.192 20 residues pruned to eliminate duplicates Z: 15 19.387 1.893 0.301 0.921 1.000 1.000 CB 1.482 15 residues pruned to eliminate duplicates Z: 29 23.649 2.038 0.660 0.611 0.929 0.571 CB 1.281 29 residues pruned to eliminate duplicates Z: 22 32.751 1.991 0.784 0.894 1.000 0.762 CB 1.443 22 residues pruned to eliminate duplicates Z: 9 12.173 1.639 0.734 0.831 1.000 0.750 CB 1.138 9 residues pruned to eliminate duplicates Z: 14 20.365 2.007 0.717 0.867 0.923 0.462 CB 1.298 14 residues pruned to eliminate duplicates Z: 30 38.758 1.935 0.838 0.904 0.931 0.517 CB 1.548 30 residues pruned to eliminate duplicates Z: 6 9.770 1.774 0.578 0.672 1.000 0.600 N 1.331 6 residues pruned to eliminate duplicates Z: 29 25.901 1.868 0.789 0.772 0.893 0.536 CB 1.290 29 residues pruned to eliminate duplicates Z: 13 12.699 1.788 0.456 0.894 1.000 0.917 CB 1.010 13 residues pruned to eliminate duplicates Z: 14 11.859 1.679 0.529 0.862 0.923 0.769 CB 1.018 14 residues pruned to eliminate duplicates Z: 24 15.774 2.110 0.601 0.354 0.826 0.522 CB 1.380 24 residues pruned to eliminate duplicates Z: 80 47.600 2.223 0.632 0.565 0.911 0.646 CB 1.520 80 residues pruned to eliminate duplicates Z: 10 10.790 1.734 0.515 0.762 0.889 0.889 CA 1.221 10 residues pruned to eliminate duplicates Z: 14 12.586 1.759 0.288 0.807 0.923 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 17 16.391 1.846 0.623 0.882 0.938 0.562 CB 1.055 17 residues pruned to eliminate duplicates Z: 7 3.962 1.832 -0.147 0.531 0.833 0.667 CB 1.205 Z: 42 22.750 1.987 0.636 0.474 0.854 0.585 CB 1.314 44 residues pruned to eliminate duplicates Z: 23 24.816 1.902 0.714 0.912 0.955 0.545 CB 1.205 23 residues pruned to eliminate duplicates Z: 13 10.556 1.735 0.245 0.859 0.917 0.917 CB 1.133 14 residues pruned to eliminate duplicates Z: 12 28.936 2.389 0.842 0.864 0.909 0.818 CA 1.599 12 residues pruned to eliminate duplicates Z: 54 41.762 2.127 0.700 0.634 0.943 0.642 CA 1.483 54 residues pruned to eliminate duplicates Z: 65 47.214 2.208 0.775 0.586 0.875 0.641 CB 1.586 65 residues pruned to eliminate duplicates Z: 26 36.350 2.079 0.866 0.914 0.880 0.520 CA 1.506 26 residues pruned to eliminate duplicates Z: 7 3.248 1.711 0.006 0.349 0.833 0.667 CB 1.088 Z: 10 13.430 1.811 0.196 0.906 1.000 0.889 O 1.470 10 residues pruned to eliminate duplicates Z: 24 30.618 2.043 0.825 0.887 0.870 0.609 CB 1.420 24 residues pruned to eliminate duplicates Z: 7 12.590 1.826 0.512 0.792 1.000 0.667 CB 1.441 7 residues pruned to eliminate duplicates Z: 27 26.980 2.193 0.583 0.573 0.923 0.654 CB 1.538 35 residues pruned to eliminate duplicates Z: 11 3.493 1.388 0.283 0.283 0.700 0.400 C 1.131 32 residues pruned to eliminate duplicates Z: 13 13.649 1.735 0.426 0.890 0.917 0.833 CB 1.250 13 residues pruned to eliminate duplicates Z: 12 11.897 1.881 0.197 0.857 0.909 0.636 CB 1.292 12 residues pruned to eliminate duplicates Z: 18 15.406 1.795 0.501 0.879 0.941 0.765 CB 1.069 18 residues pruned to eliminate duplicates Z: 14 14.425 1.712 0.376 0.824 0.923 0.769 CB 1.389 14 residues pruned to eliminate duplicates Z: 16 13.319 1.832 0.670 0.394 0.867 0.467 CB 1.451 16 residues pruned to eliminate duplicates Z: 21 14.874 1.668 0.277 0.839 0.900 0.750 CB 1.296 20 residues pruned to eliminate duplicates Z: 19 13.952 1.855 0.630 0.447 0.889 0.611 CB 1.292 19 residues pruned to eliminate duplicates Z: 29 17.783 2.089 0.460 0.440 0.857 0.536 CB 1.368 29 residues pruned to eliminate duplicates Z: 7 6.658 1.765 0.762 0.692 0.833 0.833 CB 0.880 Z: 30 30.364 1.915 0.331 0.911 1.000 0.828 CA 1.568 30 residues pruned to eliminate duplicates Z: 11 23.823 2.158 0.653 0.922 1.000 0.900 CA 1.485 11 residues pruned to eliminate duplicates Z: 21 18.176 1.662 0.562 0.878 1.000 0.600 CB 1.137 21 residues pruned to eliminate duplicates Z: 14 14.610 1.535 0.531 0.872 1.000 0.846 CB 1.256 14 residues pruned to eliminate duplicates Z: 15 12.240 1.519 0.255 0.915 1.000 0.929 CA 1.213 13 residues pruned to eliminate duplicates Z: 11 15.690 1.877 0.382 0.882 1.000 0.800 CB 1.383 11 residues pruned to eliminate duplicates Z: 6 2.793 1.541 0.181 0.404 0.600 0.200 CB 1.265 Z: 14 8.848 1.779 0.565 0.374 0.846 0.615 CB 1.192 15 residues pruned to eliminate duplicates Z: 15 15.842 1.990 0.716 0.575 0.929 0.643 CB 1.242 15 residues pruned to eliminate duplicates Z: 19 8.541 1.602 0.314 0.449 0.889 0.444 CB 1.134 19 residues pruned to eliminate duplicates Z: 7 5.184 1.742 0.080 0.549 0.833 0.667 CA 1.287 Z: 6 9.349 1.902 0.111 0.769 1.000 0.600 CB 1.558 6 residues pruned to eliminate duplicates Z: 11 7.661 1.889 0.378 0.499 1.000 0.500 CB 0.932 12 residues pruned to eliminate duplicates Z: 17 14.781 1.816 0.564 0.501 1.000 0.750 CB 1.300 19 residues pruned to eliminate duplicates Z: 14 11.618 1.631 0.125 0.909 1.000 0.923 CB 1.247 14 residues pruned to eliminate duplicates Z: 33 18.863 1.977 0.731 0.370 0.812 0.406 CB 1.378 33 residues pruned to eliminate duplicates Z: 17 22.118 1.870 0.551 0.923 1.000 0.812 CB 1.339 17 residues pruned to eliminate duplicates Z: 16 17.990 1.897 0.250 0.874 0.933 0.867 CA 1.527 16 residues pruned to eliminate duplicates Z: 23 25.539 2.139 0.882 0.515 0.864 0.682 CB 1.543 23 residues pruned to eliminate duplicates Z: 7 12.031 1.965 0.872 0.751 0.833 0.667 CB 1.281 Z: 46 31.907 2.199 0.665 0.457 0.867 0.578 CB 1.566 46 residues pruned to eliminate duplicates Z: 13 11.263 1.802 0.138 0.822 0.917 0.917 CB 1.309 13 residues pruned to eliminate duplicates Z: 16 12.502 1.743 0.248 0.855 0.867 0.800 CB 1.264 16 residues pruned to eliminate duplicates Z: 8 2.809 1.459 0.799 0.414 0.714 0.429 CB 0.619 Z: 31 29.430 1.890 0.741 0.895 0.900 0.567 CB 1.300 31 residues pruned to eliminate duplicates Z: 14 14.793 1.743 0.686 0.822 0.923 0.385 CB 1.144 14 residues pruned to eliminate duplicates Z: 16 21.914 2.005 0.452 0.863 0.933 0.800 CB 1.528 16 residues pruned to eliminate duplicates Z: 6 6.214 1.661 0.661 0.527 0.800 0.600 CB 1.226 Z: 16 14.982 1.640 0.600 0.902 0.933 0.867 CB 1.126 16 residues pruned to eliminate duplicates Z: 14 16.668 1.865 0.701 0.818 0.769 0.538 CB 1.437 14 residues pruned to eliminate duplicates Z: 15 21.369 1.928 0.425 0.923 1.000 0.714 CB 1.460 15 residues pruned to eliminate duplicates Z: 20 21.198 1.925 0.581 0.705 0.895 0.421 CB 1.482 18 residues pruned to eliminate duplicates Z: 9 12.902 1.903 0.101 0.915 1.000 1.000 O 1.539 9 residues pruned to eliminate duplicates Z: 7 5.613 1.867 0.012 0.568 1.000 0.833 CB 1.136 4 residues pruned to eliminate duplicates Z: 11 11.639 1.893 0.311 0.804 0.800 0.800 CB 1.421 11 residues pruned to eliminate duplicates Z: 16 24.345 1.931 0.649 0.882 1.000 0.800 CA 1.428 16 residues pruned to eliminate duplicates Z: 14 11.116 1.606 0.226 0.893 1.000 0.846 CB 1.124 14 residues pruned to eliminate duplicates Z: 42 27.981 1.996 0.445 0.608 1.000 0.829 CB 1.367 42 residues pruned to eliminate duplicates Z: 17 15.561 1.780 0.543 0.916 1.000 0.750 CB 1.000 17 residues pruned to eliminate duplicates Z: 13 13.870 1.709 0.472 0.916 1.000 0.750 CB 1.124 15 residues pruned to eliminate duplicates Z: 16 13.882 1.889 0.639 0.498 0.867 0.600 CB 1.338 16 residues pruned to eliminate duplicates Z: 27 39.575 2.012 0.708 0.943 1.000 0.577 CB 1.565 27 residues pruned to eliminate duplicates Z: 16 17.298 1.862 0.291 0.858 0.933 0.800 CA 1.465 16 residues pruned to eliminate duplicates Z: 6 8.982 1.889 0.192 0.676 1.000 1.000 CB 1.518 7 residues pruned to eliminate duplicates Z: 14 9.884 1.650 0.309 0.922 1.000 1.000 CB 0.892 14 residues pruned to eliminate duplicates Z: 25 33.959 2.024 0.864 0.894 0.958 0.667 CB 1.376 25 residues pruned to eliminate duplicates Z: 9 7.583 1.810 0.371 0.779 0.750 0.375 CB 1.126 9 residues pruned to eliminate duplicates Z: 10 3.980 1.503 0.346 0.372 0.778 0.444 N 0.966 Z: 10 4.314 1.469 0.317 0.381 0.778 0.444 CB 1.084 Z: 7 7.104 1.631 0.672 0.766 1.000 0.833 CB 0.840 5 residues pruned to eliminate duplicates Z: 11 9.078 1.914 0.513 0.506 0.700 0.500 CB 1.408 11 residues pruned to eliminate duplicates Z: 7 5.709 1.802 0.478 0.686 0.667 0.667 CA 1.106 7 residues pruned to eliminate duplicates Z: 11 13.809 2.042 0.347 0.788 1.000 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 20 16.808 1.726 0.722 0.922 0.895 0.579 CB 1.020 20 residues pruned to eliminate duplicates Z: 7 3.053 1.509 0.157 0.413 0.833 0.500 CB 0.938 Z: 15 12.124 1.756 0.049 0.885 0.929 0.857 CB 1.368 15 residues pruned to eliminate duplicates Z: 17 23.774 1.889 0.735 0.841 0.875 0.750 CA 1.545 17 residues pruned to eliminate duplicates Z: 12 5.303 1.890 0.466 0.238 0.818 0.091 CB 0.956 12 residues pruned to eliminate duplicates Z: 14 22.906 2.074 0.639 0.844 0.923 0.692 CB 1.506 14 residues pruned to eliminate duplicates Z: 18 10.693 1.745 0.601 0.398 0.765 0.471 CB 1.353 18 residues pruned to eliminate duplicates Z: 11 4.380 1.718 0.123 0.558 0.900 0.500 CB 0.754 11 residues pruned to eliminate duplicates Z: 17 15.298 1.746 0.575 0.712 0.812 0.562 O 1.412 17 residues pruned to eliminate duplicates Z: 9 12.819 1.680 0.550 0.804 1.000 0.625 CB 1.335 11 residues pruned to eliminate duplicates Z: 39 33.156 2.063 0.634 0.663 0.974 0.763 CB 1.409 39 residues pruned to eliminate duplicates Z: 11 23.853 1.997 0.783 0.909 1.000 0.700 CB 1.504 11 residues pruned to eliminate duplicates Z: 17 11.974 1.648 0.177 0.843 0.938 0.938 O 1.226 17 residues pruned to eliminate duplicates Z: 7 16.952 2.092 0.719 0.739 1.000 1.000 CA 1.553 7 residues pruned to eliminate duplicates Z: 13 9.878 1.694 0.395 0.863 0.750 0.333 CB 1.181 13 residues pruned to eliminate duplicates Z: 34 19.964 2.128 0.517 0.515 0.848 0.455 CB 1.250 34 residues pruned to eliminate duplicates Z: 7 9.305 2.142 0.248 0.602 0.833 0.667 CA 1.547 7 residues pruned to eliminate duplicates Z: 23 15.159 1.996 0.691 0.465 0.818 0.364 CB 1.212 23 residues pruned to eliminate duplicates Z: 16 23.487 2.085 0.671 0.801 0.933 0.667 CB 1.433 16 residues pruned to eliminate duplicates Z: 8 6.871 1.636 0.621 0.536 1.000 0.857 CB 0.946 7 residues pruned to eliminate duplicates Z: 11 3.871 1.431 0.595 0.288 0.600 0.500 CB 1.135 11 residues pruned to eliminate duplicates Z: 8 4.340 1.673 0.231 0.770 0.714 0.571 CB 0.878 6 residues pruned to eliminate duplicates Z: 15 23.736 2.173 0.289 0.899 0.929 0.786 CA 1.742 15 residues pruned to eliminate duplicates Z: 33 25.253 1.941 0.896 0.574 0.875 0.562 CB 1.291 33 residues pruned to eliminate duplicates Z: 14 23.486 1.904 0.606 0.903 1.000 0.846 CA 1.519 13 residues pruned to eliminate duplicates Z: 10 6.957 1.844 0.488 0.444 1.000 0.556 CB 0.895 10 residues pruned to eliminate duplicates Z: 20 7.869 1.722 0.320 0.427 0.789 0.579 CB 1.085 20 residues pruned to eliminate duplicates Z: 7 2.097 1.263 0.547 0.311 0.667 0.333 CB 0.811 Z: 18 16.934 2.015 0.601 0.645 0.882 0.353 CB 1.260 18 residues pruned to eliminate duplicates Z: 37 26.404 1.882 0.660 0.741 0.917 0.472 CB 1.238 37 residues pruned to eliminate duplicates Z: 17 11.532 1.820 0.434 0.427 0.812 0.562 CB 1.466 17 residues pruned to eliminate duplicates Z: 31 19.413 2.167 0.461 0.491 0.833 0.733 CB 1.355 31 residues pruned to eliminate duplicates Z: 29 43.814 2.143 0.976 0.923 0.964 0.429 CB 1.425 29 residues pruned to eliminate duplicates Z: 12 19.841 1.963 0.499 0.867 0.909 0.727 CA 1.636 12 residues pruned to eliminate duplicates Z: 6 2.330 1.295 0.448 0.477 0.600 0.400 CA 0.948 Z: 35 22.619 2.199 0.505 0.456 0.794 0.471 CB 1.545 35 residues pruned to eliminate duplicates Z: 14 11.369 1.608 0.438 0.871 0.846 0.462 CB 1.175 13 residues pruned to eliminate duplicates Z: 19 33.763 2.073 0.879 0.926 1.000 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 6 3.197 1.598 0.528 0.138 0.800 0.600 CB 1.147 Z: 15 6.513 1.732 0.486 0.336 0.714 0.571 CB 1.132 16 residues pruned to eliminate duplicates Z: 27 36.953 2.026 0.984 0.877 0.923 0.654 CB 1.418 27 residues pruned to eliminate duplicates Z: 17 15.082 1.695 0.316 0.912 0.938 0.688 CB 1.278 17 residues pruned to eliminate duplicates Z: 10 16.756 1.917 0.422 0.878 1.000 0.778 CA 1.487 10 residues pruned to eliminate duplicates Z: 8 24.471 2.084 0.948 0.890 1.000 0.857 CB 1.639 8 residues pruned to eliminate duplicates Z: 6 7.095 1.904 -0.082 0.662 1.000 1.000 O 1.564 8 residues pruned to eliminate duplicates Z: 30 56.316 2.294 0.938 0.931 1.000 0.345 CB 1.643 30 residues pruned to eliminate duplicates 6 1.473 1.410 0.401 0.297 0.800 0.400 CB 0.523 ? Z: 28 28.837 1.927 0.674 0.842 0.926 0.519 CB 1.385 28 residues pruned to eliminate duplicates Z: 8 4.852 1.384 0.417 0.450 1.000 0.571 CB 0.985 Z: 14 24.366 2.156 0.861 0.478 0.923 0.462 CA 1.864 14 residues pruned to eliminate duplicates Z: 10 14.289 1.921 0.395 0.806 1.000 0.667 CB 1.360 10 residues pruned to eliminate duplicates Z: 16 29.419 2.119 0.700 0.922 0.933 0.933 CA 1.589 16 residues pruned to eliminate duplicates Z: 23 29.177 2.212 0.648 0.648 0.955 0.773 CB 1.557 23 residues pruned to eliminate duplicates Z: 15 14.897 2.011 0.476 0.694 0.786 0.643 CA 1.429 15 residues pruned to eliminate duplicates Z: 24 13.960 1.995 0.552 0.504 0.870 0.522 CB 1.076 34 residues pruned to eliminate duplicates Z: 56 52.218 2.179 0.826 0.706 0.964 0.709 CA 1.523 56 residues pruned to eliminate duplicates Z: 34 18.199 1.767 0.277 0.604 0.879 0.727 CB 1.447 34 residues pruned to eliminate duplicates Z: 12 12.562 1.834 0.794 0.848 0.909 0.455 CB 0.939 12 residues pruned to eliminate duplicates Z: 45 50.535 2.254 0.556 0.851 0.955 0.818 CB 1.685 45 residues pruned to eliminate duplicates Z: 15 14.832 1.701 0.597 0.903 0.929 0.786 CB 1.120 15 residues pruned to eliminate duplicates Z: 35 23.006 1.891 0.667 0.610 0.853 0.471 CB 1.323 35 residues pruned to eliminate duplicates Z: 6 4.166 2.087 0.117 0.588 1.000 0.800 CB 0.734 6 residues pruned to eliminate duplicates Z: 14 22.507 1.873 0.512 0.929 1.000 0.846 CA 1.543 14 residues pruned to eliminate duplicates Z: 18 9.777 1.593 0.456 0.468 0.765 0.588 O 1.382 16 residues pruned to eliminate duplicates Z: 18 16.548 1.616 0.602 0.925 0.941 0.588 CB 1.156 17 residues pruned to eliminate duplicates Z: 11 5.300 1.579 0.424 0.295 0.800 0.300 CA 1.171 Z: 6 6.006 1.768 0.192 0.836 1.000 0.800 CB 0.954 6 residues pruned to eliminate duplicates Z: 6 4.990 1.659 0.669 0.403 0.800 0.600 N 1.115 Z: 16 23.607 1.911 0.688 0.871 0.933 0.800 CA 1.476 16 residues pruned to eliminate duplicates Z: 11 17.046 1.763 0.681 0.926 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates 6 1.458 1.933 0.382 0.400 0.800 0.400 CB 0.339 ? Z: 10 7.036 1.721 0.385 0.752 0.667 0.667 CB 1.179 10 residues pruned to eliminate duplicates Z: 19 13.102 2.033 0.455 0.484 0.889 0.722 CB 1.194 19 residues pruned to eliminate duplicates Z: 13 9.189 1.673 0.063 0.900 1.000 0.833 CB 1.065 13 residues pruned to eliminate duplicates Z: 9 12.778 1.805 0.343 0.879 1.000 0.875 CA 1.351 9 residues pruned to eliminate duplicates Z: 15 29.846 1.953 1.184 0.888 0.857 0.500 CB 1.571 15 residues pruned to eliminate duplicates Z: 15 7.250 1.683 0.674 0.249 0.714 0.357 CB 1.286 15 residues pruned to eliminate duplicates Z: 36 16.561 2.004 0.469 0.362 0.829 0.486 CB 1.332 36 residues pruned to eliminate duplicates Z: 6 8.201 2.082 0.233 0.763 0.800 0.600 N 1.414 6 residues pruned to eliminate duplicates Z: 29 22.532 2.023 0.631 0.623 0.893 0.607 CB 1.287 29 residues pruned to eliminate duplicates Z: 28 34.661 2.154 0.576 0.907 0.963 0.778 CA 1.450 28 residues pruned to eliminate duplicates Z: 7 7.348 1.667 0.371 0.850 1.000 0.833 CA 0.972 8 residues pruned to eliminate duplicates Z: 16 19.859 1.857 0.606 0.900 0.933 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 7 8.374 1.760 0.659 0.845 1.000 0.667 CB 0.870 7 residues pruned to eliminate duplicates Z: 8 14.441 1.914 0.352 0.912 1.000 0.857 CA 1.495 8 residues pruned to eliminate duplicates Z: 12 13.262 1.720 1.037 0.483 0.909 0.545 CB 1.277 Z: 11 8.650 1.479 0.402 0.808 1.000 0.600 CB 1.009 11 residues pruned to eliminate duplicates Z: 7 3.419 1.433 0.659 0.377 0.833 0.333 C 0.804 Z: 16 13.923 1.793 0.555 0.814 0.933 0.800 CB 1.051 16 residues pruned to eliminate duplicates Z: 7 8.235 1.907 0.587 0.736 0.667 0.667 CB 1.348 7 residues pruned to eliminate duplicates Z: 34 18.992 1.747 0.516 0.616 0.879 0.576 CB 1.273 25 residues pruned to eliminate duplicates Z: 12 5.878 1.555 0.538 0.271 0.727 0.364 CA 1.322 12 residues pruned to eliminate duplicates Z: 11 11.543 1.992 0.472 0.467 0.900 0.700 CB 1.430 11 residues pruned to eliminate duplicates Z: 20 20.794 2.116 0.632 0.487 1.000 0.526 CB 1.399 20 residues pruned to eliminate duplicates Z: 27 24.914 2.077 0.360 0.695 0.962 0.808 CB 1.505 27 residues pruned to eliminate duplicates Z: 23 23.197 1.935 0.664 0.898 0.864 0.545 CB 1.272 23 residues pruned to eliminate duplicates Z: 9 8.858 1.547 0.388 0.865 1.000 0.875 CB 1.068 10 residues pruned to eliminate duplicates 6 0.747 1.743 0.471 0.765 0.800 0.800 CB 0.129 ? Z: 47 38.381 2.202 0.970 0.540 0.870 0.370 CB 1.443 47 residues pruned to eliminate duplicates Z: 10 10.799 1.899 0.233 0.801 1.000 0.778 CB 1.181 10 residues pruned to eliminate duplicates Z: 14 9.792 1.603 0.362 0.880 0.923 0.769 CB 0.977 14 residues pruned to eliminate duplicates Z: 8 5.345 1.599 0.230 0.724 0.857 0.714 CB 0.978 8 residues pruned to eliminate duplicates Z: 10 7.470 1.527 0.201 0.854 0.889 0.556 CB 1.128 Z: 19 8.455 2.034 0.234 0.283 0.778 0.444 CB 1.303 19 residues pruned to eliminate duplicates Z: 14 6.684 1.743 -0.117 0.871 0.923 0.846 CB 0.952 14 residues pruned to eliminate duplicates Z: 29 20.549 2.147 0.579 0.378 0.893 0.464 CB 1.461 29 residues pruned to eliminate duplicates Z: 9 3.132 1.689 0.225 0.335 0.625 0.375 CB 1.025 Z: 10 4.422 1.507 0.160 0.423 0.778 0.556 CB 1.175 Z: 7 7.551 1.599 0.674 0.839 1.000 0.833 CB 0.860 7 residues pruned to eliminate duplicates Z: 23 28.253 1.964 0.668 0.874 0.955 0.591 CB 1.401 23 residues pruned to eliminate duplicates Z: 29 24.519 2.047 0.567 0.651 0.929 0.571 CB 1.352 29 residues pruned to eliminate duplicates Z: 17 14.730 1.659 0.618 0.859 0.875 0.312 CB 1.154 17 residues pruned to eliminate duplicates Z: 12 4.331 1.486 0.184 0.231 1.000 0.545 CB 1.015 12 residues pruned to eliminate duplicates Z: 8 3.477 1.377 0.839 0.418 0.857 0.571 CB 0.659 Z: 6 6.216 1.786 0.120 0.656 1.000 1.000 O 1.203 6 residues pruned to eliminate duplicates Z: 19 16.733 1.657 0.592 0.810 0.889 0.611 CB 1.284 19 residues pruned to eliminate duplicates Z: 27 22.638 1.975 0.707 0.560 0.885 0.731 CB 1.405 27 residues pruned to eliminate duplicates Z: 29 18.744 1.895 0.697 0.453 0.964 0.429 CB 1.198 29 residues pruned to eliminate duplicates Z: 23 19.326 1.941 0.440 0.647 1.000 0.727 CB 1.284 27 residues pruned to eliminate duplicates Z: 11 3.512 1.295 0.751 0.252 0.700 0.300 CB 0.930 Z: 8 11.442 1.772 0.438 0.782 1.000 0.571 CA 1.324 8 residues pruned to eliminate duplicates Z: 10 9.223 1.818 0.451 0.804 0.889 0.333 CB 1.006 10 residues pruned to eliminate duplicates Z: 8 2.441 1.589 -0.210 0.506 0.857 0.429 CA 0.852 8 residues pruned to eliminate duplicates Z: 61 28.357 1.950 0.466 0.580 0.933 0.650 CB 1.271 61 residues pruned to eliminate duplicates Z: 20 23.851 2.034 0.478 0.701 0.947 0.737 CB 1.600 20 residues pruned to eliminate duplicates Z: 9 6.533 1.763 0.621 0.468 0.750 0.375 CB 1.113 Z: 7 6.307 1.303 0.794 0.807 1.000 0.667 CA 0.843 5 residues pruned to eliminate duplicates Z: 6 3.659 1.869 -0.385 0.795 1.000 0.600 CA 1.100 Z: 13 8.500 1.744 0.413 0.473 0.833 0.583 CB 1.227 13 residues pruned to eliminate duplicates Z: 7 2.525 1.358 -0.167 0.423 0.833 0.667 C 1.184 7 residues pruned to eliminate duplicates Z: 15 23.591 2.295 0.726 0.586 0.929 0.643 CB 1.577 15 residues pruned to eliminate duplicates Z: 9 18.029 1.948 0.551 0.910 1.000 0.750 CB 1.496 9 residues pruned to eliminate duplicates Z: 7 8.910 1.807 0.991 0.707 1.000 0.667 CB 0.838 7 residues pruned to eliminate duplicates Z: 25 17.757 2.159 0.502 0.444 0.875 0.583 CB 1.354 25 residues pruned to eliminate duplicates Z: 23 12.824 2.033 0.197 0.537 0.818 0.364 CB 1.324 23 residues pruned to eliminate duplicates Z: 10 11.229 1.839 0.305 0.810 0.889 0.667 CB 1.340 10 residues pruned to eliminate duplicates Z: 9 6.022 1.426 0.517 0.623 0.875 0.625 CB 1.002 9 residues pruned to eliminate duplicates Z: 10 2.481 1.570 0.022 0.354 0.889 0.667 CB 0.678 8 residues pruned to eliminate duplicates Z: 19 13.073 1.626 0.365 0.795 0.889 0.667 CB 1.206 19 residues pruned to eliminate duplicates Z: 10 8.840 1.546 0.595 0.822 0.889 0.778 CB 1.017 10 residues pruned to eliminate duplicates Z: 13 9.827 2.018 0.491 0.429 0.833 0.583 CB 1.219 13 residues pruned to eliminate duplicates Z: 11 2.735 1.598 -0.016 0.509 0.800 0.500 CB 0.681 Z: 21 13.304 1.741 0.493 0.412 0.900 0.600 CB 1.395 22 residues pruned to eliminate duplicates Z: 21 19.503 1.676 0.964 0.866 1.000 0.500 CB 0.971 21 residues pruned to eliminate duplicates 7 1.594 1.422 0.121 0.246 0.500 0.333 N 1.095 ? Z: 18 11.932 1.645 0.199 0.874 0.882 0.882 CB 1.211 18 residues pruned to eliminate duplicates Z: 9 10.950 1.567 0.797 0.796 1.000 0.750 CB 1.061 9 residues pruned to eliminate duplicates Z: 9 17.477 1.885 0.539 0.887 1.000 0.875 O 1.535 9 residues pruned to eliminate duplicates Z: 8 12.315 1.794 0.520 0.799 1.000 0.429 CA 1.314 8 residues pruned to eliminate duplicates Z: 15 14.623 1.857 0.529 0.439 0.929 0.429 CB 1.579 15 residues pruned to eliminate duplicates Z: 6 5.101 1.888 0.053 0.449 0.800 0.600 CB 1.513 Z: 18 11.491 1.721 0.563 0.879 0.941 0.588 CB 0.798 18 residues pruned to eliminate duplicates Z: 11 9.976 1.834 0.522 0.852 0.900 0.500 CB 0.928 11 residues pruned to eliminate duplicates Z: 16 20.636 1.902 0.450 0.905 0.933 0.600 CB 1.474 16 residues pruned to eliminate duplicates Z: 24 29.895 2.037 0.507 0.842 0.957 0.826 CB 1.582 24 residues pruned to eliminate duplicates Z: 18 12.364 1.825 0.309 0.498 0.882 0.647 CB 1.425 18 residues pruned to eliminate duplicates Z: 15 11.992 2.037 0.570 0.503 0.786 0.500 CB 1.273 15 residues pruned to eliminate duplicates Z: 12 23.988 2.051 0.759 0.902 1.000 0.818 CA 1.430 12 residues pruned to eliminate duplicates Z: 10 3.047 1.382 0.487 0.267 0.667 0.333 CB 0.967 7 1.661 1.237 0.537 0.387 0.500 0.333 CB 0.804 ? Z: 30 31.782 1.895 0.484 0.896 0.966 0.586 CB 1.558 30 residues pruned to eliminate duplicates Z: 32 18.257 2.035 0.620 0.452 0.839 0.516 CB 1.245 32 residues pruned to eliminate duplicates Z: 11 3.350 1.428 0.475 0.398 0.900 0.400 CB 0.623 Z: 39 22.248 1.851 0.625 0.547 0.868 0.395 CB 1.320 39 residues pruned to eliminate duplicates Z: 15 15.022 1.700 0.439 0.883 1.000 0.786 CB 1.186 15 residues pruned to eliminate duplicates Z: 9 3.170 1.275 0.746 0.287 0.625 0.500 O 1.024 Z: 29 24.060 2.081 0.481 0.608 0.929 0.679 CB 1.434 29 residues pruned to eliminate duplicates Z: 7 4.304 1.522 0.440 0.368 0.833 0.333 O 1.109 Z: 11 12.279 1.759 0.500 0.875 1.000 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 14 20.906 1.859 0.761 0.911 0.923 0.385 CB 1.360 14 residues pruned to eliminate duplicates Z: 8 12.278 1.944 0.469 0.806 0.857 0.714 CA 1.452 8 residues pruned to eliminate duplicates Z: 14 27.804 1.920 0.800 0.901 1.000 0.615 N 1.593 14 residues pruned to eliminate duplicates Z: 12 5.780 1.680 0.056 0.446 0.818 0.636 CB 1.270 10 residues pruned to eliminate duplicates Z: 10 10.699 1.827 0.443 0.657 1.000 0.889 CB 1.169 10 residues pruned to eliminate duplicates Z: 16 16.105 1.891 0.366 0.834 0.800 0.667 CA 1.509 16 residues pruned to eliminate duplicates Z: 17 26.746 2.236 0.508 0.868 1.000 0.875 CB 1.450 17 residues pruned to eliminate duplicates 6 1.109 1.100 0.248 0.296 0.800 0.400 CB 0.567 ? Z: 20 19.125 1.709 0.655 0.875 0.947 0.737 CB 1.191 20 residues pruned to eliminate duplicates Z: 7 11.184 1.971 0.314 0.743 1.000 0.833 CB 1.418 10 residues pruned to eliminate duplicates Z: 28 10.877 1.863 0.362 0.388 0.852 0.630 CB 1.090 28 residues pruned to eliminate duplicates Z: 29 28.006 1.992 0.922 0.650 0.964 0.500 CB 1.246 29 residues pruned to eliminate duplicates Z: 15 10.718 1.705 0.438 0.494 0.857 0.571 CB 1.371 15 residues pruned to eliminate duplicates Z: 92 52.288 2.155 0.830 0.606 0.890 0.560 CB 1.412 119 residues pruned to eliminate duplicates Z: 12 6.005 1.806 0.116 0.411 0.727 0.545 CB 1.356 12 residues pruned to eliminate duplicates Z: 6 4.890 1.746 0.431 0.274 1.000 0.600 CA 1.131 Z: 14 17.989 1.949 0.498 0.878 0.923 0.846 CA 1.343 14 residues pruned to eliminate duplicates Z: 13 6.549 1.688 0.160 0.433 0.917 0.333 N 1.129 Z: 27 18.127 2.029 0.456 0.503 0.885 0.538 CB 1.357 27 residues pruned to eliminate duplicates 7 1.597 1.324 0.059 0.379 0.833 0.667 CB 0.635 ? Z: 7 12.526 1.745 1.184 0.811 1.000 0.667 CB 1.024 7 residues pruned to eliminate duplicates Z: 17 15.793 1.712 0.246 0.932 1.000 0.875 CB 1.293 17 residues pruned to eliminate duplicates Z: 12 8.496 1.515 0.479 0.767 0.909 0.545 CB 0.992 12 residues pruned to eliminate duplicates Z: 8 9.562 1.713 0.662 0.804 0.857 0.857 CB 1.136 8 residues pruned to eliminate duplicates Z: 24 30.148 2.015 0.573 0.917 0.957 0.826 CB 1.464 24 residues pruned to eliminate duplicates Z: 11 24.879 2.172 0.770 0.897 1.000 0.900 CA 1.465 11 residues pruned to eliminate duplicates Z: 7 7.518 1.785 -0.018 0.854 1.000 1.000 CB 1.292 7 residues pruned to eliminate duplicates Z: 12 18.205 1.766 0.709 0.876 1.000 0.545 CB 1.321 Z: 11 10.360 1.670 0.636 0.609 0.900 0.300 CB 1.201 11 residues pruned to eliminate duplicates Z: 6 4.275 1.706 0.232 0.266 0.800 0.600 N 1.484 6 residues pruned to eliminate duplicates Z: 6 4.590 1.308 0.446 0.721 1.000 0.800 CB 0.889 Z: 6 9.936 1.496 0.739 0.869 1.000 1.000 N 1.248 6 residues pruned to eliminate duplicates Z: 10 13.900 1.738 0.403 0.883 1.000 0.556 CB 1.374 10 residues pruned to eliminate duplicates Z: 11 13.336 1.816 0.730 0.868 0.900 0.400 CB 1.090 11 residues pruned to eliminate duplicates 6 1.609 1.429 0.343 0.292 0.800 0.600 CA 0.592 ? Z: 8 10.485 1.731 0.548 0.819 0.857 0.714 CB 1.308 8 residues pruned to eliminate duplicates Z: 6 3.887 1.388 0.780 0.298 0.800 0.600 CA 1.102 Z: 24 18.470 2.147 0.598 0.368 0.870 0.391 CB 1.487 24 residues pruned to eliminate duplicates Z: 9 11.435 1.648 0.722 0.864 1.000 0.750 CB 1.045 9 residues pruned to eliminate duplicates Z: 21 36.935 2.157 0.784 0.918 0.950 0.700 CB 1.593 21 residues pruned to eliminate duplicates Z: 7 5.809 1.669 0.325 0.754 1.000 1.000 CB 0.855 Z: 10 11.317 1.970 0.189 0.781 1.000 0.556 CB 1.257 10 residues pruned to eliminate duplicates Z: 7 3.274 1.592 -0.073 0.549 1.000 0.833 CB 0.864 Z: 8 11.636 1.656 0.681 0.876 1.000 0.857 N 1.148 8 residues pruned to eliminate duplicates Z: 27 32.093 1.948 0.467 0.915 0.962 0.885 CA 1.619 27 residues pruned to eliminate duplicates Z: 8 10.191 1.800 0.200 0.732 1.000 1.000 CB 1.447 8 residues pruned to eliminate duplicates Z: 16 8.300 1.592 0.521 0.415 0.933 0.533 CB 1.036 Z: 11 8.827 1.847 0.229 0.636 0.800 0.300 CA 1.353 11 residues pruned to eliminate duplicates Z: 6 4.277 1.260 0.406 0.815 0.800 0.800 O 1.026 Z: 12 15.506 1.821 0.533 0.921 1.000 0.818 CB 1.178 12 residues pruned to eliminate duplicates Z: 12 2.513 1.575 0.489 0.214 0.636 0.182 CB 0.712 8 residues pruned to eliminate duplicates Z: 34 22.109 2.073 0.588 0.432 0.909 0.576 CB 1.380 34 residues pruned to eliminate duplicates Z: 13 11.769 1.713 0.690 0.792 0.833 0.500 CB 1.091 13 residues pruned to eliminate duplicates Z: 54 29.724 2.099 0.626 0.416 0.906 0.604 CB 1.442 54 residues pruned to eliminate duplicates 6 1.910 1.343 0.063 0.444 0.600 0.400 CA 1.056 ? Z: 19 20.045 1.879 0.526 0.736 0.889 0.667 CB 1.499 19 residues pruned to eliminate duplicates Z: 10 8.976 1.595 0.497 0.690 0.889 0.444 CB 1.185 10 residues pruned to eliminate duplicates Z: 68 47.527 2.191 0.631 0.597 0.955 0.672 CB 1.551 68 residues pruned to eliminate duplicates Z: 11 4.028 1.623 0.516 0.252 0.700 0.500 CB 0.984 6 residues pruned to eliminate duplicates Z: 8 3.716 1.444 0.076 0.431 0.857 0.571 CB 1.132 Z: 18 20.713 1.768 0.734 0.872 0.882 0.647 CA 1.353 18 residues pruned to eliminate duplicates Z: 7 3.804 1.547 -0.139 0.782 0.833 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 31 16.428 1.799 0.520 0.647 0.867 0.500 CB 1.103 31 residues pruned to eliminate duplicates Z: 22 10.672 1.718 0.471 0.519 0.905 0.381 CB 0.999 34 residues pruned to eliminate duplicates Z: 42 26.641 1.931 0.626 0.639 0.902 0.561 CB 1.290 42 residues pruned to eliminate duplicates Z: 9 9.139 1.521 0.527 0.850 1.000 0.875 CA 1.031 9 residues pruned to eliminate duplicates Z: 6 7.286 1.699 0.327 0.795 1.000 1.000 CA 1.116 6 residues pruned to eliminate duplicates Z: 29 24.781 2.037 0.740 0.636 0.857 0.679 CB 1.356 29 residues pruned to eliminate duplicates Z: 7 2.906 1.642 0.840 0.629 0.833 0.667 CB 0.417 7 residues pruned to eliminate duplicates Z: 9 2.798 1.713 0.081 0.437 0.875 0.500 CB 0.652 10 residues pruned to eliminate duplicates Z: 11 9.150 1.950 0.430 0.489 0.800 0.300 CA 1.312 11 residues pruned to eliminate duplicates Z: 16 21.250 1.929 0.630 0.808 0.933 0.667 CB 1.429 33 residues pruned to eliminate duplicates Z: 34 18.879 1.988 0.521 0.488 0.909 0.606 CB 1.210 34 residues pruned to eliminate duplicates Z: 14 9.856 1.778 0.238 0.535 0.846 0.615 CA 1.417 14 residues pruned to eliminate duplicates Z: 25 19.157 2.040 0.419 0.556 0.958 0.667 CB 1.335 25 residues pruned to eliminate duplicates Z: 9 9.492 1.826 0.628 0.737 0.875 0.500 CB 1.043 9 residues pruned to eliminate duplicates Z: 7 3.715 1.401 0.275 0.753 0.667 0.667 CB 1.017 7 residues pruned to eliminate duplicates Z: 22 29.263 1.914 0.862 0.799 0.952 0.905 CA 1.448 22 residues pruned to eliminate duplicates Z: 29 48.819 2.190 0.933 0.930 0.964 0.536 CB 1.580 29 residues pruned to eliminate duplicates Z: 6 4.419 1.420 0.543 0.622 0.800 0.800 CA 1.004 Z: 20 29.386 2.044 0.684 0.904 1.000 0.842 CB 1.395 20 residues pruned to eliminate duplicates Z: 10 3.212 1.631 0.430 0.333 0.889 0.556 CB 0.620 8 residues pruned to eliminate duplicates Z: 11 5.052 1.650 0.265 0.623 0.800 0.700 CB 0.852 11 residues pruned to eliminate duplicates Z: 29 25.333 2.046 0.626 0.617 0.929 0.571 CB 1.388 29 residues pruned to eliminate duplicates Z: 14 13.258 1.582 0.449 0.908 0.923 0.615 CB 1.234 13 residues pruned to eliminate duplicates Z: 9 12.417 1.701 1.055 0.782 0.875 0.500 CB 1.120 9 residues pruned to eliminate duplicates Z: 17 24.090 1.899 0.472 0.873 1.000 0.688 CA 1.569 17 residues pruned to eliminate duplicates Z: 12 5.208 1.921 0.102 0.435 0.909 0.545 CB 0.873 9 residues pruned to eliminate duplicates Z: 11 4.562 1.552 0.305 0.431 1.000 0.700 CB 0.766 Z: 8 9.673 2.017 0.657 0.564 1.000 0.714 CB 1.029 8 residues pruned to eliminate duplicates Z: 26 11.540 1.957 0.498 0.271 0.840 0.320 CB 1.216 26 residues pruned to eliminate duplicates Z: 6 4.425 1.402 0.557 0.823 1.000 0.800 CA 0.685 4 residues pruned to eliminate duplicates Z: 30 28.420 1.937 0.794 0.687 0.931 0.345 CB 1.374 27 residues pruned to eliminate duplicates Z: 7 4.231 1.525 0.621 0.556 0.667 0.667 CB 0.992 Z: 7 10.506 1.963 0.600 0.790 0.833 0.667 CB 1.270 7 residues pruned to eliminate duplicates Z: 6 7.596 1.791 0.477 0.858 1.000 0.800 CB 0.945 12 residues pruned to eliminate duplicates Z: 18 15.315 1.696 0.562 0.866 0.882 0.765 CB 1.163 18 residues pruned to eliminate duplicates Z: 58 59.878 2.242 0.683 0.800 0.965 0.754 CA 1.676 57 residues pruned to eliminate duplicates Z: 11 8.975 1.892 0.312 0.567 1.000 0.500 CB 1.071 Z: 6 5.105 1.294 0.447 0.745 1.000 0.800 CB 0.979 Z: 8 8.155 1.651 0.365 0.803 0.857 0.714 CA 1.225 8 residues pruned to eliminate duplicates Z: 13 8.039 1.728 0.360 0.422 1.000 0.667 CB 1.070 7 residues pruned to eliminate duplicates Z: 9 7.299 1.753 0.369 0.707 1.000 0.750 CB 0.891 6 0.786 1.608 0.093 0.100 0.600 0.400 CB 0.555 ? Z: 18 23.279 1.884 0.815 0.877 0.941 0.706 CA 1.274 18 residues pruned to eliminate duplicates Z: 6 2.528 1.385 0.282 0.215 0.800 0.400 C 1.114 Z: 6 3.178 1.294 0.458 0.558 0.800 0.600 CA 0.890 5 residues pruned to eliminate duplicates Z: 15 16.083 1.868 0.664 0.867 0.857 0.286 CB 1.180 15 residues pruned to eliminate duplicates Z: 9 10.985 1.884 0.287 0.835 1.000 0.875 CB 1.200 9 residues pruned to eliminate duplicates Z: 8 3.483 1.443 0.674 0.343 0.857 0.286 N 0.754 Z: 15 14.224 1.674 0.625 0.882 0.857 0.857 CB 1.180 15 residues pruned to eliminate duplicates Z: 11 5.083 1.752 0.250 0.431 0.900 0.700 CB 0.876 11 residues pruned to eliminate duplicates Z: 17 11.261 1.564 0.605 0.748 0.875 0.562 CB 1.027 17 residues pruned to eliminate duplicates Z: 8 3.048 1.547 0.243 0.270 0.857 0.286 CB 0.907 Z: 8 6.876 1.824 0.296 0.636 1.000 0.714 CB 0.968 8 residues pruned to eliminate duplicates Z: 6 2.346 1.342 0.229 0.472 0.600 0.400 C 1.091 8 1.631 1.585 0.400 0.071 0.429 0.143 CB 1.135 ? Z: 74 45.919 2.286 0.650 0.522 0.890 0.616 CB 1.566 74 residues pruned to eliminate duplicates Z: 6 4.062 1.795 1.138 0.480 0.600 0.600 CB 0.805 6 residues pruned to eliminate duplicates Z: 12 8.051 1.751 0.596 0.347 0.818 0.455 CB 1.254 12 residues pruned to eliminate duplicates Z: 13 19.165 2.038 0.431 0.890 1.000 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 19 24.177 1.923 0.592 0.796 0.944 0.556 CB 1.520 17 residues pruned to eliminate duplicates Z: 6 2.375 1.342 0.192 0.143 1.000 0.600 CB 1.033 Z: 15 5.993 1.837 0.118 0.417 0.786 0.500 CB 1.083 15 residues pruned to eliminate duplicates Z: 9 2.249 1.420 0.285 0.324 0.750 0.500 CB 0.705 Z: 10 5.327 1.460 0.679 0.391 0.778 0.222 N 1.045 10 residues pruned to eliminate duplicates Z: 41 20.645 2.036 0.588 0.333 0.875 0.425 CB 1.386 41 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 7.158 1.914 0.271 0.568 0.800 0.800 CB 1.540 Z: 13 13.846 1.717 0.292 0.892 1.000 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 9 7.448 1.825 0.135 0.620 0.875 0.625 CB 1.298 9 residues pruned to eliminate duplicates Z: 9 10.203 1.892 0.201 0.631 1.000 0.750 CA 1.404 9 residues pruned to eliminate duplicates Z: 14 14.019 1.625 0.357 0.851 1.000 0.692 CB 1.304 14 residues pruned to eliminate duplicates Z: 14 14.086 1.629 0.356 0.914 1.000 1.000 CB 1.251 14 residues pruned to eliminate duplicates Z: 13 12.901 1.637 0.219 0.878 1.000 0.750 CA 1.355 13 residues pruned to eliminate duplicates Z: 14 10.602 1.741 0.124 0.747 0.923 0.538 CB 1.305 14 residues pruned to eliminate duplicates Z: 14 12.558 1.717 0.205 0.824 1.000 0.769 CB 1.272 14 residues pruned to eliminate duplicates Z: 11 8.872 1.697 0.392 0.833 0.900 0.600 CB 0.990 11 residues pruned to eliminate duplicates Z: 13 11.654 1.754 0.205 0.719 1.000 0.750 CB 1.306 13 residues pruned to eliminate duplicates Z: 44 39.156 2.047 0.879 0.655 0.860 0.581 CB 1.562 44 residues pruned to eliminate duplicates Z: 6 2.662 1.699 0.420 0.298 0.600 0.400 N 1.031 Z: 6 4.781 1.676 0.238 0.464 1.000 0.600 CA 1.069 Z: 10 5.559 1.853 0.361 0.493 0.889 0.444 CB 0.833 6 residues pruned to eliminate duplicates Z: 6 6.204 1.495 0.524 0.641 0.800 0.600 N 1.335 Z: 7 3.604 1.363 0.205 0.561 0.833 0.667 CB 1.013 7 residues pruned to eliminate duplicates Z: 7 5.014 1.428 0.199 0.473 1.000 0.667 O 1.228 5 residues pruned to eliminate duplicates Z: 6 3.853 1.544 0.605 0.390 1.000 0.800 CA 0.782 6 residues pruned to eliminate duplicates Z: 19 22.659 1.874 0.467 0.775 1.000 0.778 CB 1.523 19 residues pruned to eliminate duplicates Z: 20 19.227 1.841 0.349 0.711 1.000 0.684 CB 1.467 26 residues pruned to eliminate duplicates Z: 19 22.280 1.871 0.385 0.799 1.000 0.778 CA 1.560 19 residues pruned to eliminate duplicates Z: 19 23.579 1.893 0.403 0.796 1.000 0.778 CB 1.615 19 residues pruned to eliminate duplicates Z: 23 19.020 1.812 0.494 0.640 0.909 0.500 CB 1.446 23 residues pruned to eliminate duplicates Z: 24 18.034 1.832 0.406 0.675 0.913 0.652 CB 1.361 24 residues pruned to eliminate duplicates Z: 20 18.054 1.859 0.350 0.734 0.947 0.474 CB 1.411 20 residues pruned to eliminate duplicates Z: 22 24.250 1.875 0.533 0.730 1.000 0.667 CB 1.496 20 residues pruned to eliminate duplicates Z: 15 26.418 1.896 0.857 0.887 0.929 0.500 CB 1.557 15 residues pruned to eliminate duplicates Z: 21 19.364 1.840 0.468 0.677 0.950 0.500 CB 1.434 21 residues pruned to eliminate duplicates Z: 20 19.804 1.813 0.451 0.752 0.947 0.474 CB 1.456 20 residues pruned to eliminate duplicates Z: 20 22.237 1.855 0.502 0.761 1.000 0.632 CB 1.452 20 residues pruned to eliminate duplicates Z: 20 18.012 1.871 0.480 0.711 0.895 0.474 CB 1.377 20 residues pruned to eliminate duplicates Z: 21 22.836 1.901 0.545 0.698 1.000 0.700 CB 1.451 21 residues pruned to eliminate duplicates Z: 18 20.528 1.916 0.461 0.777 0.941 0.588 CB 1.480 18 residues pruned to eliminate duplicates Z: 20 22.189 1.928 0.452 0.717 1.000 0.684 CB 1.495 20 residues pruned to eliminate duplicates Z: 22 19.542 1.870 0.341 0.699 0.952 0.571 CB 1.490 22 residues pruned to eliminate duplicates Z: 27 17.409 1.811 0.355 0.568 0.923 0.615 CB 1.411 27 residues pruned to eliminate duplicates Z: 21 20.255 1.891 0.436 0.666 0.950 0.600 CB 1.505 21 residues pruned to eliminate duplicates Z: 11 9.215 1.665 0.465 0.693 0.800 0.500 CB 1.251 11 residues pruned to eliminate duplicates Z: 9 15.912 1.700 0.827 0.831 1.000 1.000 CB 1.361 9 residues pruned to eliminate duplicates Z: 9 10.445 1.667 0.666 0.775 1.000 0.750 CB 1.043 9 residues pruned to eliminate duplicates Z: 10 9.467 1.612 0.770 0.675 0.778 0.444 CB 1.210 10 residues pruned to eliminate duplicates Z: 13 9.147 1.646 0.864 0.499 0.750 0.250 CB 1.148 13 residues pruned to eliminate duplicates Z: 9 8.092 1.525 0.785 0.655 0.750 0.750 N 1.213 9 residues pruned to eliminate duplicates Z: 9 12.695 1.637 0.733 0.864 1.000 0.625 N 1.161 9 residues pruned to eliminate duplicates Z: 9 4.578 1.453 0.388 0.403 0.750 0.375 O 1.186 Z: 14 23.000 1.959 0.766 0.758 1.000 0.615 CB 1.466 14 residues pruned to eliminate duplicates Z: 13 29.022 1.984 0.855 0.836 1.000 0.833 CB 1.703 12 residues pruned to eliminate duplicates Z: 12 23.211 2.148 0.563 0.844 0.909 0.909 CB 1.706 12 residues pruned to eliminate duplicates Z: 18 14.740 1.933 0.606 0.616 0.824 0.471 CB 1.253 18 residues pruned to eliminate duplicates Z: 15 15.148 1.978 0.582 0.646 0.929 0.429 CB 1.216 15 residues pruned to eliminate duplicates Z: 15 18.614 1.902 0.724 0.673 0.929 0.357 CA 1.393 15 residues pruned to eliminate duplicates Z: 17 15.508 1.924 0.741 0.571 0.812 0.688 CB 1.330 17 residues pruned to eliminate duplicates Z: 16 16.511 1.908 0.816 0.588 0.800 0.467 CB 1.413 16 residues pruned to eliminate duplicates Z: 13 19.585 2.062 0.671 0.731 0.917 0.500 CB 1.454 13 residues pruned to eliminate duplicates Z: 18 14.490 1.804 0.630 0.559 0.824 0.529 CB 1.370 18 residues pruned to eliminate duplicates Z: 18 8.416 2.001 0.678 0.329 0.706 0.529 CB 1.039 18 residues pruned to eliminate duplicates Z: 38 26.586 2.121 0.642 0.516 0.865 0.486 CB 1.428 45 residues pruned to eliminate duplicates Z: 13 15.060 2.084 0.627 0.673 0.833 0.500 CA 1.312 13 residues pruned to eliminate duplicates Z: 21 23.664 2.188 0.782 0.525 0.850 0.650 CB 1.558 33 residues pruned to eliminate duplicates Z: 8 29.702 2.428 0.785 0.902 1.000 1.000 CA 1.848 8 residues pruned to eliminate duplicates Z: 24 23.658 2.199 0.489 0.489 0.957 0.652 CB 1.592 24 residues pruned to eliminate duplicates Z: 28 25.792 2.161 0.588 0.504 0.926 0.519 CB 1.556 28 residues pruned to eliminate duplicates Z: 26 25.791 2.221 0.557 0.538 0.920 0.720 CB 1.562 26 residues pruned to eliminate duplicates Z: 32 21.549 2.068 0.691 0.423 0.839 0.452 CB 1.430 11 residues pruned to eliminate duplicates Z: 7 26.341 2.459 0.718 0.850 1.000 0.833 CB 1.887 3 residues pruned to eliminate duplicates Z: 10 21.605 2.371 0.770 0.685 0.889 0.667 CB 1.629 9 residues pruned to eliminate duplicates Z: 11 19.781 2.285 0.751 0.616 0.900 0.700 CB 1.557 11 residues pruned to eliminate duplicates Z: 6 4.941 1.598 0.707 0.370 0.800 0.800 N 1.165 Z: 15 13.233 2.046 0.442 0.459 0.929 0.571 CB 1.346 21 residues pruned to eliminate duplicates Z: 17 11.863 2.009 0.194 0.456 0.938 0.562 CB 1.381 17 residues pruned to eliminate duplicates Z: 32 20.207 2.097 0.553 0.476 0.839 0.581 CB 1.361 32 residues pruned to eliminate duplicates Z: 30 17.418 1.986 0.587 0.408 0.897 0.448 CB 1.260 30 residues pruned to eliminate duplicates Z: 27 22.351 2.084 0.588 0.462 0.923 0.538 CB 1.492 27 residues pruned to eliminate duplicates Z: 47 26.657 2.017 0.565 0.521 0.870 0.609 CB 1.402 44 residues pruned to eliminate duplicates Z: 14 17.857 1.951 0.377 0.788 1.000 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 40 27.558 2.112 0.503 0.556 0.897 0.641 CB 1.467 70 residues pruned to eliminate duplicates Z: 11 12.909 1.980 0.424 0.670 0.900 0.400 CB 1.375 11 residues pruned to eliminate duplicates Z: 29 14.282 1.971 0.518 0.454 0.821 0.500 CB 1.151 29 residues pruned to eliminate duplicates Z: 19 13.035 2.015 0.442 0.562 0.833 0.556 CB 1.194 19 residues pruned to eliminate duplicates Z: 20 17.198 2.052 0.870 0.579 0.842 0.632 CB 1.132 20 residues pruned to eliminate duplicates Z: 45 31.054 2.146 0.696 0.528 0.909 0.568 CB 1.376 43 residues pruned to eliminate duplicates Z: 10 11.437 1.856 0.480 0.824 0.778 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 19 12.289 2.061 0.550 0.492 0.722 0.444 CB 1.266 19 residues pruned to eliminate duplicates Z: 10 12.030 1.929 0.447 0.755 0.889 0.444 CB 1.288 10 residues pruned to eliminate duplicates Z: 38 26.419 2.127 0.738 0.471 0.865 0.514 CB 1.398 38 residues pruned to eliminate duplicates Z: 24 15.673 1.936 0.688 0.485 0.826 0.478 CB 1.230 24 residues pruned to eliminate duplicates Z: 32 19.044 2.017 0.550 0.493 0.871 0.581 CB 1.265 32 residues pruned to eliminate duplicates Z: 8 12.318 1.800 0.735 0.675 0.857 0.429 CA 1.480 8 residues pruned to eliminate duplicates Z: 6 12.517 2.152 0.716 0.817 0.800 0.600 CA 1.438 6 residues pruned to eliminate duplicates Z: 21 14.668 1.968 0.667 0.500 0.800 0.500 CB 1.250 21 residues pruned to eliminate duplicates Z: 36 19.078 2.018 0.594 0.420 0.829 0.486 CB 1.315 36 residues pruned to eliminate duplicates Z: 19 11.392 1.993 0.425 0.511 0.778 0.444 CB 1.203 19 residues pruned to eliminate duplicates Z: 47 28.970 2.124 0.727 0.490 0.826 0.478 CB 1.423 45 residues pruned to eliminate duplicates Z: 6 5.682 1.851 0.309 0.439 1.000 0.200 CB 1.117 6 residues pruned to eliminate duplicates Z: 16 13.558 1.911 0.455 0.435 0.867 0.400 CB 1.555 16 residues pruned to eliminate duplicates Z: 16 14.436 1.872 0.402 0.502 0.933 0.600 CB 1.519 16 residues pruned to eliminate duplicates Z: 16 13.047 1.902 0.546 0.438 0.800 0.600 CB 1.527 16 residues pruned to eliminate duplicates Z: 15 12.560 1.949 0.535 0.430 0.786 0.500 CB 1.536 15 residues pruned to eliminate duplicates Z: 17 12.696 1.864 0.513 0.398 0.875 0.500 CB 1.432 16 residues pruned to eliminate duplicates Z: 6 5.478 1.585 0.522 0.407 0.800 0.200 O 1.400 6 residues pruned to eliminate duplicates Z: 7 2.078 1.405 0.561 0.159 0.500 0.333 N 1.174 7 residues pruned to eliminate duplicates Z: 10 5.351 1.475 0.652 0.270 0.889 0.222 CA 1.069 10 residues pruned to eliminate duplicates Z: 28 27.636 2.098 0.670 0.640 0.926 0.704 CB 1.439 11 residues pruned to eliminate duplicates Z: 17 27.120 2.031 0.679 0.733 1.000 0.688 CB 1.612 17 residues pruned to eliminate duplicates Z: 19 25.055 2.058 0.700 0.648 0.944 0.667 CB 1.557 19 residues pruned to eliminate duplicates Z: 19 22.603 2.087 0.575 0.641 0.889 0.778 CB 1.599 19 residues pruned to eliminate duplicates Z: 19 24.601 2.034 0.702 0.650 1.000 0.556 CB 1.456 19 residues pruned to eliminate duplicates Z: 30 23.721 2.039 0.542 0.611 0.931 0.621 CB 1.354 30 residues pruned to eliminate duplicates Z: 29 23.775 2.030 0.522 0.576 0.964 0.643 CB 1.402 29 residues pruned to eliminate duplicates Z: 22 23.276 1.944 0.692 0.592 0.952 0.619 CB 1.486 22 residues pruned to eliminate duplicates Z: 28 28.379 2.114 0.730 0.634 0.926 0.778 CB 1.422 28 residues pruned to eliminate duplicates Z: 17 32.576 2.153 0.772 0.753 0.938 0.688 CB 1.817 17 residues pruned to eliminate duplicates Z: 13 30.977 2.086 0.852 0.881 1.000 0.667 CB 1.676 13 residues pruned to eliminate duplicates Z: 26 22.430 2.073 0.642 0.627 0.920 0.440 CB 1.271 26 residues pruned to eliminate duplicates Z: 27 25.218 2.101 0.630 0.616 0.923 0.538 CB 1.401 27 residues pruned to eliminate duplicates Z: 27 28.980 2.118 0.724 0.634 0.962 0.462 CB 1.428 27 residues pruned to eliminate duplicates Z: 37 18.550 1.892 0.701 0.513 0.806 0.444 CB 1.178 37 residues pruned to eliminate duplicates Z: 30 23.576 2.012 0.574 0.591 0.931 0.517 CB 1.361 28 residues pruned to eliminate duplicates Z: 6 5.966 1.700 0.384 0.469 1.000 0.800 CA 1.170 6 residues pruned to eliminate duplicates Z: 31 22.478 2.008 0.525 0.596 0.933 0.533 CB 1.309 31 residues pruned to eliminate duplicates Z: 30 25.881 2.064 0.576 0.610 0.931 0.552 CB 1.430 32 residues pruned to eliminate duplicates 6 1.762 1.470 0.644 0.100 0.800 0.200 CB 0.679 ? Z: 24 26.897 1.944 0.476 0.858 1.000 0.783 CB 1.439 24 residues pruned to eliminate duplicates Z: 25 26.008 1.873 0.526 0.832 1.000 0.750 CB 1.395 24 residues pruned to eliminate duplicates Z: 16 27.208 1.891 0.779 0.863 1.000 0.667 CB 1.532 16 residues pruned to eliminate duplicates Z: 18 20.428 1.717 0.854 0.742 0.941 0.529 CB 1.331 18 residues pruned to eliminate duplicates Z: 24 23.663 1.898 0.349 0.866 1.000 0.826 CB 1.410 25 residues pruned to eliminate duplicates Z: 24 24.120 1.866 0.533 0.878 0.913 0.696 CB 1.397 24 residues pruned to eliminate duplicates Z: 16 23.136 1.844 0.803 0.846 1.000 0.400 CB 1.335 16 residues pruned to eliminate duplicates Z: 24 28.810 1.976 0.631 0.816 1.000 0.478 CB 1.417 25 residues pruned to eliminate duplicates Z: 23 26.108 1.957 0.542 0.910 0.955 0.682 CB 1.370 23 residues pruned to eliminate duplicates Z: 37 32.279 1.961 0.685 0.696 0.972 0.611 CB 1.401 36 residues pruned to eliminate duplicates Z: 16 24.840 1.887 0.784 0.888 0.933 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 21 27.650 1.876 1.055 0.748 0.900 0.600 CB 1.428 21 residues pruned to eliminate duplicates Z: 35 31.434 2.032 0.693 0.775 0.912 0.676 CB 1.348 35 residues pruned to eliminate duplicates Z: 17 18.094 1.917 0.637 0.751 0.938 0.688 CB 1.229 17 residues pruned to eliminate duplicates Z: 26 22.917 1.857 0.737 0.806 0.840 0.440 CB 1.295 26 residues pruned to eliminate duplicates Z: 50 32.288 1.985 0.538 0.694 0.898 0.531 CB 1.409 50 residues pruned to eliminate duplicates Z: 36 30.334 2.005 0.700 0.717 0.914 0.657 CB 1.351 36 residues pruned to eliminate duplicates Z: 28 22.921 1.889 0.570 0.796 0.926 0.593 CB 1.239 28 residues pruned to eliminate duplicates Z: 35 31.492 1.983 0.772 0.744 0.941 0.441 CB 1.313 35 residues pruned to eliminate duplicates Z: 26 23.494 1.885 0.676 0.775 0.920 0.560 CB 1.269 26 residues pruned to eliminate duplicates Z: 37 28.656 1.970 0.736 0.742 0.861 0.472 CB 1.305 37 residues pruned to eliminate duplicates Z: 38 29.324 1.965 0.670 0.752 0.892 0.541 CB 1.315 38 residues pruned to eliminate duplicates Z: 38 17.268 1.795 0.524 0.628 0.811 0.459 CB 1.135 38 residues pruned to eliminate duplicates Z: 36 33.262 1.965 0.737 0.767 0.971 0.343 CB 1.339 36 residues pruned to eliminate duplicates Z: 37 31.407 1.964 0.702 0.729 0.972 0.472 CB 1.311 37 residues pruned to eliminate duplicates Z: 51 29.037 1.936 0.531 0.679 0.880 0.520 CB 1.336 51 residues pruned to eliminate duplicates Z: 36 32.752 2.021 0.654 0.762 0.943 0.514 CB 1.392 36 residues pruned to eliminate duplicates Z: 51 29.187 1.936 0.590 0.693 0.820 0.460 CB 1.370 51 residues pruned to eliminate duplicates Z: 10 10.896 2.138 0.490 0.632 0.778 0.778 CB 1.295 10 residues pruned to eliminate duplicates Z: 35 27.583 1.983 0.753 0.741 0.794 0.559 CB 1.381 35 residues pruned to eliminate duplicates Z: 49 30.637 1.991 0.552 0.717 0.854 0.604 CB 1.376 49 residues pruned to eliminate duplicates Z: 38 28.641 1.930 0.730 0.701 0.892 0.459 CB 1.316 38 residues pruned to eliminate duplicates Z: 29 23.939 1.962 0.654 0.587 0.893 0.464 CB 1.437 29 residues pruned to eliminate duplicates Z: 14 15.676 2.089 0.545 0.562 0.923 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 39 26.601 1.977 0.630 0.734 0.895 0.605 CB 1.213 39 residues pruned to eliminate duplicates Z: 51 31.485 1.967 0.562 0.679 0.920 0.540 CB 1.336 51 residues pruned to eliminate duplicates Z: 56 30.682 1.925 0.552 0.668 0.909 0.600 CB 1.304 56 residues pruned to eliminate duplicates Z: 19 15.103 1.929 0.146 0.674 0.944 0.722 CB 1.454 19 residues pruned to eliminate duplicates Z: 17 20.932 2.027 0.231 0.806 1.000 0.750 CB 1.605 17 residues pruned to eliminate duplicates Z: 14 9.599 1.873 0.017 0.673 0.846 0.615 CA 1.407 14 residues pruned to eliminate duplicates Z: 16 9.779 1.696 0.197 0.546 0.933 0.400 CB 1.273 16 residues pruned to eliminate duplicates Z: 54 34.882 1.966 0.607 0.683 0.943 0.585 CB 1.359 54 residues pruned to eliminate duplicates Z: 13 12.591 1.951 0.210 0.598 0.917 0.667 CA 1.530 13 residues pruned to eliminate duplicates Z: 53 34.541 2.025 0.544 0.706 0.923 0.519 CB 1.376 53 residues pruned to eliminate duplicates Z: 54 32.252 1.960 0.488 0.701 0.943 0.604 CB 1.341 54 residues pruned to eliminate duplicates Z: 54 34.678 1.993 0.567 0.735 0.887 0.642 CB 1.393 54 residues pruned to eliminate duplicates Z: 18 15.947 2.006 0.057 0.774 0.941 0.765 CB 1.520 18 residues pruned to eliminate duplicates Z: 17 18.377 1.965 0.290 0.760 0.938 0.688 CB 1.534 17 residues pruned to eliminate duplicates Z: 21 14.265 1.930 0.316 0.589 0.950 0.650 CB 1.214 21 residues pruned to eliminate duplicates Z: 56 31.174 1.939 0.554 0.681 0.891 0.545 CB 1.326 56 residues pruned to eliminate duplicates Z: 16 22.693 2.053 0.398 0.845 1.000 0.667 CB 1.518 16 residues pruned to eliminate duplicates Z: 17 19.699 2.054 0.317 0.818 0.938 0.625 CB 1.474 17 residues pruned to eliminate duplicates Z: 53 35.692 2.010 0.641 0.753 0.904 0.538 CB 1.325 53 residues pruned to eliminate duplicates Z: 55 34.975 1.984 0.589 0.705 0.926 0.556 CB 1.353 55 residues pruned to eliminate duplicates Z: 20 19.896 1.995 0.438 0.744 0.895 0.789 CB 1.429 26 residues pruned to eliminate duplicates Z: 18 19.200 2.036 0.360 0.718 0.941 0.765 CB 1.467 20 residues pruned to eliminate duplicates Z: 14 14.903 2.010 0.223 0.868 0.923 0.769 CA 1.332 14 residues pruned to eliminate duplicates Z: 22 17.258 1.906 0.625 0.660 0.857 0.667 CB 1.222 22 residues pruned to eliminate duplicates Z: 22 20.072 1.957 0.545 0.653 0.905 0.714 CB 1.388 22 residues pruned to eliminate duplicates Z: 21 20.588 1.955 0.601 0.693 0.900 0.600 CB 1.370 21 residues pruned to eliminate duplicates Z: 18 17.919 2.001 0.495 0.617 0.882 0.529 CB 1.474 18 residues pruned to eliminate duplicates Z: 19 19.962 1.952 0.787 0.642 0.833 0.611 CB 1.418 19 residues pruned to eliminate duplicates Z: 21 22.412 1.961 0.735 0.709 0.850 0.600 CB 1.432 20 residues pruned to eliminate duplicates Z: 16 24.092 1.919 0.657 0.865 1.000 0.733 CA 1.433 16 residues pruned to eliminate duplicates Z: 18 19.988 2.064 0.478 0.626 0.882 0.765 CB 1.600 18 residues pruned to eliminate duplicates Z: 18 20.949 1.979 0.665 0.757 0.882 0.647 CB 1.391 18 residues pruned to eliminate duplicates Z: 20 23.616 2.032 0.602 0.728 0.947 0.737 CB 1.431 20 residues pruned to eliminate duplicates Z: 16 22.891 1.860 0.664 0.849 1.000 0.733 CA 1.416 19 residues pruned to eliminate duplicates Z: 14 23.648 2.086 0.724 0.886 0.923 0.462 CA 1.425 14 residues pruned to eliminate duplicates Z: 21 22.259 2.004 0.645 0.712 0.900 0.650 CB 1.384 21 residues pruned to eliminate duplicates Z: 21 22.002 1.994 0.621 0.664 0.900 0.700 CB 1.452 17 residues pruned to eliminate duplicates Z: 12 10.203 1.862 0.344 0.768 1.000 0.364 CB 0.970 12 residues pruned to eliminate duplicates Z: 8 6.434 1.922 0.134 0.775 1.000 0.571 CB 0.875 8 residues pruned to eliminate duplicates Z: 11 12.900 2.047 0.560 0.776 0.900 0.600 CB 1.113 11 residues pruned to eliminate duplicates Z: 17 8.764 1.911 0.466 0.519 0.750 0.375 CB 1.024 17 residues pruned to eliminate duplicates Z: 13 12.598 1.986 0.783 0.713 0.917 0.583 CB 0.924 13 residues pruned to eliminate duplicates Z: 12 17.097 1.827 0.556 0.871 1.000 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 13 11.355 1.944 0.663 0.700 0.833 0.500 CB 1.014 12 residues pruned to eliminate duplicates Z: 11 13.119 1.849 0.664 0.791 0.900 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 13 9.675 1.907 0.596 0.679 0.833 0.417 CB 0.933 13 residues pruned to eliminate duplicates Z: 13 14.867 1.812 0.642 0.725 1.000 0.667 CB 1.178 13 residues pruned to eliminate duplicates Z: 56 30.352 2.127 0.678 0.396 0.836 0.436 CB 1.531 56 residues pruned to eliminate duplicates Z: 36 22.864 2.053 0.465 0.562 0.857 0.429 CB 1.412 35 residues pruned to eliminate duplicates Z: 6 4.680 1.481 0.940 0.297 0.800 0.200 O 1.142 6 residues pruned to eliminate duplicates Z: 26 20.849 2.071 0.646 0.520 0.800 0.480 CB 1.499 26 residues pruned to eliminate duplicates Z: 26 20.219 2.057 0.579 0.546 0.840 0.480 CB 1.418 26 residues pruned to eliminate duplicates Z: 85 50.293 2.203 0.704 0.501 0.917 0.571 CB 1.593 85 residues pruned to eliminate duplicates Z: 81 53.969 2.264 0.779 0.545 0.900 0.562 CB 1.592 81 residues pruned to eliminate duplicates Z: 23 21.457 2.163 0.498 0.576 0.864 0.545 CB 1.519 23 residues pruned to eliminate duplicates Z: 95 47.571 2.136 0.668 0.531 0.904 0.596 CB 1.476 95 residues pruned to eliminate duplicates Z: 52 29.943 2.200 0.654 0.415 0.902 0.569 CB 1.396 52 residues pruned to eliminate duplicates Z: 80 51.177 2.230 0.816 0.551 0.899 0.595 CB 1.506 80 residues pruned to eliminate duplicates Z: 79 44.781 2.217 0.721 0.518 0.846 0.538 CB 1.542 79 residues pruned to eliminate duplicates Z: 90 60.398 2.231 0.826 0.571 0.910 0.618 CB 1.613 102 residues pruned to eliminate duplicates Z: 12 16.551 2.286 0.435 0.651 0.818 0.545 CA 1.615 12 residues pruned to eliminate duplicates Z: 80 51.325 2.281 0.711 0.548 0.899 0.633 CB 1.571 80 residues pruned to eliminate duplicates Z: 37 25.621 2.018 0.632 0.535 0.889 0.444 CB 1.410 23 residues pruned to eliminate duplicates Z: 6 4.880 1.815 0.613 0.379 0.800 0.400 CB 1.060 6 residues pruned to eliminate duplicates Z: 21 22.801 2.204 0.629 0.575 0.800 0.500 CB 1.652 21 residues pruned to eliminate duplicates Z: 82 55.280 2.256 0.742 0.567 0.926 0.654 CB 1.582 82 residues pruned to eliminate duplicates Z: 82 54.164 2.255 0.763 0.543 0.877 0.556 CB 1.655 82 residues pruned to eliminate duplicates Z: 87 46.403 2.184 0.742 0.540 0.837 0.651 CB 1.510 87 residues pruned to eliminate duplicates Z: 82 54.425 2.246 0.787 0.563 0.914 0.642 CB 1.553 82 residues pruned to eliminate duplicates Z: 75 49.097 2.271 0.769 0.518 0.905 0.595 CB 1.542 75 residues pruned to eliminate duplicates Z: 87 54.919 2.223 0.844 0.527 0.884 0.628 CB 1.592 87 residues pruned to eliminate duplicates Z: 30 29.188 2.239 0.586 0.546 0.897 0.621 CB 1.628 30 residues pruned to eliminate duplicates Z: 22 16.982 2.200 0.545 0.289 0.905 0.286 CB 1.527 22 residues pruned to eliminate duplicates Z: 57 45.752 2.278 0.745 0.513 0.929 0.714 CB 1.634 57 residues pruned to eliminate duplicates Z: 77 46.107 2.222 0.662 0.503 0.908 0.526 CB 1.573 77 residues pruned to eliminate duplicates Z: 79 49.177 2.241 0.679 0.538 0.897 0.603 CB 1.588 79 residues pruned to eliminate duplicates Z: 38 30.817 2.264 0.676 0.495 0.838 0.432 CB 1.602 38 residues pruned to eliminate duplicates Z: 40 30.705 2.207 0.682 0.457 0.872 0.538 CB 1.588 40 residues pruned to eliminate duplicates Z: 60 46.657 2.261 0.842 0.530 0.881 0.695 CB 1.607 60 residues pruned to eliminate duplicates Z: 74 48.311 2.301 0.634 0.523 0.918 0.630 CB 1.602 74 residues pruned to eliminate duplicates Z: 81 50.417 2.213 0.742 0.525 0.900 0.625 CB 1.585 81 residues pruned to eliminate duplicates Z: 67 43.370 2.164 0.681 0.524 0.939 0.606 CB 1.526 67 residues pruned to eliminate duplicates Z: 76 51.666 2.282 0.761 0.519 0.907 0.627 CB 1.607 76 residues pruned to eliminate duplicates Z: 48 45.772 2.349 0.827 0.502 0.957 0.617 CB 1.622 48 residues pruned to eliminate duplicates Z: 85 51.414 2.224 0.779 0.554 0.869 0.607 CB 1.548 85 residues pruned to eliminate duplicates Z: 66 44.133 2.287 0.830 0.465 0.862 0.508 CB 1.573 66 residues pruned to eliminate duplicates Z: 79 57.599 2.290 0.831 0.539 0.910 0.615 CB 1.644 79 residues pruned to eliminate duplicates Z: 68 50.263 2.266 0.856 0.527 0.896 0.657 CB 1.588 68 residues pruned to eliminate duplicates Z: 56 51.045 2.267 0.837 0.548 0.964 0.655 CA 1.636 56 residues pruned to eliminate duplicates Z: 68 51.681 2.224 0.768 0.585 0.925 0.642 CA 1.599 68 residues pruned to eliminate duplicates Z: 80 45.187 2.084 0.870 0.481 0.873 0.532 CA 1.523 80 residues pruned to eliminate duplicates Z: 72 44.874 2.226 0.636 0.530 0.930 0.592 CB 1.527 72 residues pruned to eliminate duplicates Z: 60 48.730 2.281 0.781 0.576 0.932 0.678 CA 1.557 60 residues pruned to eliminate duplicates Z: 68 51.909 2.215 0.824 0.582 0.925 0.612 CA 1.568 68 residues pruned to eliminate duplicates Z: 66 50.064 2.186 0.801 0.590 0.892 0.600 CB 1.622 66 residues pruned to eliminate duplicates Z: 72 50.068 2.198 0.756 0.578 0.915 0.606 CB 1.561 72 residues pruned to eliminate duplicates Z: 62 48.953 2.248 0.904 0.530 0.902 0.672 CB 1.577 62 residues pruned to eliminate duplicates Z: 35 40.715 2.230 0.882 0.636 0.853 0.706 CB 1.717 35 residues pruned to eliminate duplicates Z: 62 49.671 2.243 0.888 0.536 0.934 0.590 CB 1.552 62 residues pruned to eliminate duplicates Z: 37 41.832 2.196 0.861 0.704 0.889 0.694 CB 1.594 37 residues pruned to eliminate duplicates Z: 40 41.530 2.175 0.796 0.722 0.897 0.744 CB 1.553 40 residues pruned to eliminate duplicates Z: 34 44.167 2.267 0.791 0.743 0.939 0.667 CB 1.622 34 residues pruned to eliminate duplicates Z: 41 50.281 2.208 0.885 0.762 0.900 0.700 CB 1.682 41 residues pruned to eliminate duplicates Z: 32 37.821 2.257 0.977 0.699 0.806 0.710 CB 1.574 32 residues pruned to eliminate duplicates Z: 55 41.743 2.264 0.792 0.508 0.870 0.630 CB 1.595 55 residues pruned to eliminate duplicates Z: 34 40.624 2.305 0.966 0.672 0.818 0.727 CB 1.627 34 residues pruned to eliminate duplicates Z: 38 45.803 2.205 0.942 0.706 0.919 0.757 CB 1.586 38 residues pruned to eliminate duplicates Z: 35 50.640 2.288 0.998 0.748 0.912 0.735 CB 1.669 35 residues pruned to eliminate duplicates Z: 39 36.151 2.164 0.535 0.708 0.895 0.684 CA 1.634 39 residues pruned to eliminate duplicates Z: 64 51.369 2.247 0.943 0.549 0.889 0.651 CB 1.589 64 residues pruned to eliminate duplicates Z: 69 52.800 2.214 0.835 0.575 0.926 0.618 CA 1.582 69 residues pruned to eliminate duplicates Z: 87 59.186 2.227 0.846 0.567 0.930 0.581 CB 1.565 87 residues pruned to eliminate duplicates Z: 85 56.602 2.222 0.755 0.570 0.929 0.583 CB 1.594 85 residues pruned to eliminate duplicates Z: 41 52.218 2.304 1.035 0.661 0.900 0.625 CB 1.686 41 residues pruned to eliminate duplicates Z: 85 59.781 2.222 0.817 0.576 0.929 0.595 CA 1.617 85 residues pruned to eliminate duplicates Z: 82 53.960 2.244 0.829 0.557 0.864 0.593 CB 1.600 82 residues pruned to eliminate duplicates Z: 48 42.587 2.110 0.931 0.666 0.851 0.638 CB 1.536 48 residues pruned to eliminate duplicates Z: 32 52.486 2.364 1.098 0.776 0.903 0.710 CB 1.649 32 residues pruned to eliminate duplicates Z: 83 57.316 2.255 0.760 0.556 0.915 0.500 CB 1.650 83 residues pruned to eliminate duplicates Z: 66 55.973 2.239 0.866 0.601 0.954 0.677 CB 1.583 66 residues pruned to eliminate duplicates Z: 58 52.668 2.323 0.846 0.562 0.930 0.561 CB 1.647 58 residues pruned to eliminate duplicates Z: 69 50.438 2.191 0.945 0.502 0.941 0.529 CB 1.521 69 residues pruned to eliminate duplicates Z: 45 42.012 2.152 0.900 0.694 0.909 0.795 CB 1.427 45 residues pruned to eliminate duplicates Z: 86 69.940 2.182 1.006 0.686 0.918 0.588 CB 1.593 132 residues pruned to eliminate duplicates Z: 29 34.803 1.930 0.824 0.924 0.964 0.714 CA 1.361 29 residues pruned to eliminate duplicates Z: 67 47.849 2.187 0.882 0.542 0.894 0.515 CB 1.537 67 residues pruned to eliminate duplicates Z: 43 50.510 2.174 1.024 0.725 0.952 0.524 CB 1.519 43 residues pruned to eliminate duplicates Z: 88 57.128 2.224 0.830 0.569 0.897 0.563 CB 1.571 88 residues pruned to eliminate duplicates Z: 69 57.751 2.199 0.938 0.582 0.971 0.471 CB 1.565 69 residues pruned to eliminate duplicates Z: 45 57.592 2.220 0.969 0.781 0.955 0.636 CB 1.625 45 residues pruned to eliminate duplicates Z: 95 74.552 2.171 0.980 0.721 0.947 0.638 CB 1.548 95 residues pruned to eliminate duplicates Z: 68 58.875 2.221 1.004 0.593 0.940 0.657 CB 1.572 68 residues pruned to eliminate duplicates Z: 65 61.977 2.244 1.091 0.666 0.922 0.500 CB 1.537 65 residues pruned to eliminate duplicates Z: 51 48.809 2.178 0.934 0.667 0.940 0.520 CB 1.493 51 residues pruned to eliminate duplicates Z: 120 54.828 2.084 0.810 0.524 0.908 0.546 CB 1.433 121 residues pruned to eliminate duplicates Z: 7 3.838 1.534 0.782 0.182 0.667 0.333 CB 1.261 Z: 40 46.597 2.234 1.082 0.664 0.923 0.718 CB 1.492 47 residues pruned to eliminate duplicates Z: 45 53.560 2.179 1.116 0.714 0.955 0.523 CB 1.511 45 residues pruned to eliminate duplicates Z: 42 60.676 2.336 0.961 0.766 0.976 0.756 CB 1.675 42 residues pruned to eliminate duplicates Z: 46 57.909 2.245 1.069 0.744 0.933 0.667 CB 1.601 46 residues pruned to eliminate duplicates Z: 78 47.626 2.166 0.698 0.576 0.922 0.649 CA 1.487 78 residues pruned to eliminate duplicates Z: 41 49.334 2.300 0.861 0.703 0.925 0.700 CB 1.638 41 residues pruned to eliminate duplicates Z: 71 50.131 2.225 0.750 0.595 0.929 0.671 CA 1.514 71 residues pruned to eliminate duplicates Z: 44 64.589 2.326 0.964 0.785 0.977 0.744 CB 1.718 44 residues pruned to eliminate duplicates Z: 44 66.747 2.271 1.141 0.781 0.977 0.674 CA 1.673 44 residues pruned to eliminate duplicates Z: 47 54.506 2.241 0.868 0.744 0.957 0.761 CB 1.614 47 residues pruned to eliminate duplicates Z: 60 62.224 2.223 0.955 0.696 0.983 0.729 CA 1.586 60 residues pruned to eliminate duplicates Z: 47 58.800 2.232 0.976 0.757 0.978 0.630 CB 1.598 47 residues pruned to eliminate duplicates Z: 40 59.103 2.284 0.979 0.782 0.974 0.769 CB 1.676 40 residues pruned to eliminate duplicates Z: 45 59.214 2.279 0.933 0.762 0.977 0.591 CA 1.644 45 residues pruned to eliminate duplicates Z: 42 61.073 2.320 1.183 0.716 0.951 0.707 CB 1.628 42 residues pruned to eliminate duplicates Z: 46 62.103 2.277 1.105 0.733 0.956 0.622 CB 1.640 46 residues pruned to eliminate duplicates Z: 45 64.217 2.256 1.065 0.775 1.000 0.659 CB 1.630 45 residues pruned to eliminate duplicates Z: 46 57.780 2.228 0.976 0.752 0.978 0.667 CB 1.598 46 residues pruned to eliminate duplicates Z: 55 56.945 2.187 0.913 0.767 1.000 0.667 CB 1.462 55 residues pruned to eliminate duplicates Z: 55 57.702 2.216 0.986 0.764 0.963 0.630 CB 1.467 55 residues pruned to eliminate duplicates Z: 45 65.888 2.291 1.041 0.770 1.000 0.773 CB 1.673 45 residues pruned to eliminate duplicates Z: 61 53.248 2.124 0.930 0.700 0.900 0.700 CB 1.552 61 residues pruned to eliminate duplicates Z: 46 68.941 2.280 1.197 0.772 1.000 0.778 CB 1.614 46 residues pruned to eliminate duplicates Z: 48 65.224 2.232 1.141 0.748 0.979 0.681 CB 1.630 48 residues pruned to eliminate duplicates Z: 45 58.784 2.248 1.016 0.761 0.977 0.727 CB 1.586 45 residues pruned to eliminate duplicates Z: 42 65.741 2.325 1.012 0.830 1.000 0.683 CB 1.650 42 residues pruned to eliminate duplicates Z: 46 59.357 2.220 1.075 0.752 0.978 0.667 CB 1.570 46 residues pruned to eliminate duplicates Z: 45 63.879 2.261 1.124 0.768 1.000 0.682 CB 1.582 45 residues pruned to eliminate duplicates Z: 46 64.234 2.239 1.120 0.774 0.978 0.711 CB 1.619 46 residues pruned to eliminate duplicates Z: 46 67.050 2.268 1.172 0.753 0.978 0.689 CB 1.656 46 residues pruned to eliminate duplicates Z: 45 64.166 2.253 1.170 0.769 0.977 0.477 CA 1.594 45 residues pruned to eliminate duplicates Z: 46 59.740 2.245 1.170 0.767 0.956 0.511 CB 1.510 46 residues pruned to eliminate duplicates Z: 88 57.720 2.192 0.859 0.602 0.931 0.632 CB 1.480 88 residues pruned to eliminate duplicates Z: 47 59.542 2.248 1.064 0.743 0.957 0.630 CB 1.592 47 residues pruned to eliminate duplicates Z: 44 53.300 2.215 1.082 0.751 0.860 0.419 CB 1.637 44 residues pruned to eliminate duplicates Z: 45 63.914 2.255 1.152 0.758 0.955 0.523 CB 1.654 45 residues pruned to eliminate duplicates Z: 46 60.191 2.266 1.094 0.777 0.933 0.467 CB 1.587 46 residues pruned to eliminate duplicates Z: 44 60.227 2.230 1.153 0.776 0.953 0.372 CB 1.572 44 residues pruned to eliminate duplicates Z: 44 63.152 2.273 1.203 0.783 0.977 0.465 CB 1.535 44 residues pruned to eliminate duplicates Z: 44 66.943 2.284 1.145 0.800 0.977 0.581 CB 1.641 44 residues pruned to eliminate duplicates Z: 41 57.095 2.247 1.196 0.719 0.925 0.400 CB 1.623 41 residues pruned to eliminate duplicates Z: 57 58.897 2.172 0.921 0.773 0.964 0.607 CB 1.537 57 residues pruned to eliminate duplicates Z: 26 30.921 2.045 0.754 0.724 0.880 0.520 CA 1.602 26 residues pruned to eliminate duplicates Z: 53 54.571 2.219 1.077 0.710 0.904 0.462 CB 1.501 53 residues pruned to eliminate duplicates Z: 57 47.291 2.109 0.991 0.690 0.911 0.464 CB 1.389 57 residues pruned to eliminate duplicates Z: 8 7.402 1.984 0.314 0.605 0.857 0.571 CB 1.133 8 residues pruned to eliminate duplicates Z: 27 20.788 1.767 0.706 0.659 0.923 0.346 CB 1.265 27 residues pruned to eliminate duplicates Z: 33 26.953 1.980 0.800 0.765 0.812 0.438 CB 1.300 33 residues pruned to eliminate duplicates Z: 15 9.633 1.696 0.488 0.706 0.857 0.357 CB 0.987 15 residues pruned to eliminate duplicates Z: 12 10.267 1.706 0.574 0.590 0.909 0.364 CB 1.163 12 residues pruned to eliminate duplicates Z: 15 9.718 1.802 0.535 0.596 0.857 0.429 CB 1.000 15 residues pruned to eliminate duplicates Z: 12 11.800 1.860 0.452 0.794 0.909 0.364 CB 1.119 12 residues pruned to eliminate duplicates Z: 15 12.058 1.766 0.320 0.668 0.929 0.571 CB 1.274 15 residues pruned to eliminate duplicates Z: 59 50.338 2.154 0.958 0.753 0.897 0.448 CB 1.395 59 residues pruned to eliminate duplicates Z: 30 17.780 1.876 0.521 0.584 0.897 0.621 CB 1.191 31 residues pruned to eliminate duplicates Z: 14 11.150 1.764 0.411 0.727 0.923 0.308 CB 1.097 14 residues pruned to eliminate duplicates Z: 109 56.498 2.111 0.666 0.613 0.935 0.593 CB 1.485 109 residues pruned to eliminate duplicates Z: 98 48.919 2.077 0.850 0.593 0.907 0.433 CB 1.303 59 residues pruned to eliminate duplicates Z: 11 19.383 1.915 0.887 0.798 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 36 23.074 2.099 0.461 0.585 0.886 0.714 CB 1.323 36 residues pruned to eliminate duplicates Z: 12 19.977 2.127 0.793 0.792 0.909 0.636 CB 1.345 12 residues pruned to eliminate duplicates Z: 36 23.290 2.065 0.418 0.598 0.886 0.629 CB 1.383 36 residues pruned to eliminate duplicates Z: 61 34.905 2.142 0.563 0.493 0.950 0.567 CB 1.427 61 residues pruned to eliminate duplicates Z: 16 16.469 2.052 0.735 0.578 0.800 0.467 CB 1.385 16 residues pruned to eliminate duplicates Z: 51 24.718 2.100 0.488 0.526 0.860 0.400 CB 1.268 51 residues pruned to eliminate duplicates Z: 29 23.521 2.073 0.579 0.668 0.893 0.464 CB 1.302 29 residues pruned to eliminate duplicates Z: 53 33.359 2.168 0.568 0.520 0.904 0.577 CB 1.475 51 residues pruned to eliminate duplicates Z: 11 5.397 1.566 0.575 0.459 0.700 0.700 CB 1.031 11 residues pruned to eliminate duplicates Z: 50 34.142 2.145 0.675 0.544 0.918 0.469 CB 1.417 53 residues pruned to eliminate duplicates Z: 6 4.981 1.382 0.615 0.371 1.000 0.400 O 1.145 6 residues pruned to eliminate duplicates Z: 53 29.493 2.131 0.674 0.425 0.885 0.577 CB 1.402 40 residues pruned to eliminate duplicates Z: 14 16.081 2.023 0.743 0.674 0.846 0.538 CB 1.273 14 residues pruned to eliminate duplicates Z: 92 62.512 2.218 0.780 0.610 0.945 0.648 CB 1.583 92 residues pruned to eliminate duplicates Z: 33 20.382 2.017 0.470 0.568 0.844 0.531 CB 1.349 33 residues pruned to eliminate duplicates Z: 34 23.786 2.296 0.422 0.471 0.848 0.545 CB 1.539 34 residues pruned to eliminate duplicates Z: 57 27.021 2.108 0.563 0.466 0.804 0.375 CB 1.411 57 residues pruned to eliminate duplicates Z: 30 18.056 2.020 0.352 0.527 0.897 0.586 CB 1.334 30 residues pruned to eliminate duplicates Z: 17 20.387 2.194 0.239 0.625 1.000 0.688 CB 1.666 17 residues pruned to eliminate duplicates Z: 19 17.432 2.039 0.443 0.547 0.889 0.556 CB 1.500 19 residues pruned to eliminate duplicates Z: 19 20.228 2.182 0.608 0.637 0.889 0.722 CB 1.345 19 residues pruned to eliminate duplicates Z: 102 58.991 2.193 0.696 0.618 0.931 0.634 CB 1.516 63 residues pruned to eliminate duplicates Z: 12 15.186 2.240 0.641 0.680 0.818 0.545 CB 1.290 12 residues pruned to eliminate duplicates Z: 14 17.093 2.266 0.484 0.693 0.846 0.692 CB 1.397 14 residues pruned to eliminate duplicates Z: 43 28.295 2.209 0.531 0.443 0.952 0.500 CB 1.438 43 residues pruned to eliminate duplicates Z: 17 21.053 2.248 0.601 0.691 0.938 0.500 CB 1.309 17 residues pruned to eliminate duplicates Z: 36 29.980 2.221 0.672 0.478 0.914 0.429 CB 1.527 36 residues pruned to eliminate duplicates Z: 37 23.588 2.168 0.523 0.401 0.861 0.528 CB 1.534 37 residues pruned to eliminate duplicates Z: 87 60.067 2.242 0.777 0.615 0.919 0.640 CB 1.587 86 residues pruned to eliminate duplicates Z: 7 9.551 2.154 0.206 0.493 1.000 0.333 CA 1.511 7 residues pruned to eliminate duplicates Z: 36 21.286 2.120 0.536 0.348 0.829 0.429 CB 1.573 36 residues pruned to eliminate duplicates Z: 34 18.649 2.128 0.386 0.395 0.879 0.424 CB 1.399 34 residues pruned to eliminate duplicates Z: 45 23.509 2.097 0.491 0.389 0.864 0.477 CB 1.477 45 residues pruned to eliminate duplicates Z: 21 14.475 2.111 0.450 0.343 0.800 0.450 CA 1.567 21 residues pruned to eliminate duplicates Z: 29 21.792 2.130 0.616 0.336 0.964 0.321 CA 1.485 29 residues pruned to eliminate duplicates Z: 27 19.706 2.193 0.593 0.331 0.885 0.500 CA 1.505 27 residues pruned to eliminate duplicates Z: 35 21.792 2.128 0.532 0.370 0.853 0.588 CB 1.544 35 residues pruned to eliminate duplicates Z: 30 24.763 2.134 0.689 0.372 0.966 0.448 CB 1.516 30 residues pruned to eliminate duplicates Z: 31 23.541 2.095 0.639 0.352 0.967 0.467 CB 1.520 31 residues pruned to eliminate duplicates Z: 34 22.483 2.193 0.596 0.383 0.848 0.364 CB 1.491 34 residues pruned to eliminate duplicates Z: 44 23.474 2.101 0.603 0.372 0.907 0.372 CB 1.343 44 residues pruned to eliminate duplicates Z: 37 26.410 2.234 0.550 0.422 0.944 0.583 CB 1.461 37 residues pruned to eliminate duplicates Z: 64 59.940 2.309 0.864 0.595 0.984 0.571 CA 1.628 64 residues pruned to eliminate duplicates Z: 48 27.159 2.165 0.448 0.418 0.936 0.404 CB 1.471 48 residues pruned to eliminate duplicates Z: 16 20.861 1.921 0.489 0.729 0.933 0.533 N 1.643 16 residues pruned to eliminate duplicates Z: 21 20.415 1.887 0.538 0.642 1.000 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 19 18.621 1.852 0.490 0.704 0.889 0.500 CA 1.486 19 residues pruned to eliminate duplicates Z: 21 23.164 1.885 0.674 0.677 1.000 0.700 CB 1.394 14 residues pruned to eliminate duplicates Z: 14 27.374 1.937 0.940 0.877 0.923 0.846 N 1.590 14 residues pruned to eliminate duplicates Z: 12 22.242 1.974 0.576 0.835 1.000 1.000 CA 1.615 12 residues pruned to eliminate duplicates Z: 11 22.173 2.044 0.834 0.833 0.900 0.800 N 1.559 11 residues pruned to eliminate duplicates Z: 16 23.987 1.917 0.721 0.785 0.933 0.667 N 1.566 16 residues pruned to eliminate duplicates Z: 22 22.578 1.875 0.725 0.672 0.952 0.714 CB 1.365 22 residues pruned to eliminate duplicates Z: 15 23.294 1.925 0.712 0.786 0.929 0.571 N 1.582 15 residues pruned to eliminate duplicates Z: 22 26.687 1.910 0.819 0.695 1.000 0.667 CB 1.402 21 residues pruned to eliminate duplicates Z: 14 26.627 1.973 0.848 0.851 1.000 0.846 N 1.498 14 residues pruned to eliminate duplicates Z: 21 23.555 1.900 0.796 0.672 1.000 0.650 CB 1.317 21 residues pruned to eliminate duplicates Z: 10 2.925 1.628 0.406 0.210 0.778 0.444 CB 0.771 10 residues pruned to eliminate duplicates Z: 14 4.701 1.667 0.422 0.243 0.923 0.615 CB 0.801 14 residues pruned to eliminate duplicates Z: 9 3.467 1.696 0.394 0.299 0.875 0.625 CB 0.741 9 residues pruned to eliminate duplicates Z: 23 23.887 1.894 0.661 0.663 1.000 0.591 CB 1.393 23 residues pruned to eliminate duplicates Z: 9 3.812 1.794 0.436 0.360 0.875 0.625 CB 0.695 9 residues pruned to eliminate duplicates Z: 8 3.740 1.728 0.600 0.335 0.857 0.429 CB 0.714 8 residues pruned to eliminate duplicates Z: 9 4.515 1.791 0.575 0.365 1.000 0.750 CB 0.655 9 residues pruned to eliminate duplicates Z: 18 9.753 1.653 0.014 0.780 0.882 0.765 CB 1.249 18 residues pruned to eliminate duplicates Z: 19 10.303 1.671 0.156 0.642 1.000 0.778 CB 1.100 19 residues pruned to eliminate duplicates Z: 17 13.515 1.751 0.222 0.874 0.875 0.812 CB 1.313 17 residues pruned to eliminate duplicates Z: 14 7.392 1.697 0.198 0.579 0.846 0.692 CB 1.105 14 residues pruned to eliminate duplicates Z: 10 9.178 1.672 0.725 0.783 0.778 0.444 CB 1.063 10 residues pruned to eliminate duplicates Z: 15 12.293 1.721 0.469 0.772 0.929 0.786 CB 1.100 15 residues pruned to eliminate duplicates Z: 16 13.679 1.782 0.199 0.929 0.933 0.800 CB 1.239 16 residues pruned to eliminate duplicates Z: 16 13.497 1.769 0.320 0.873 0.867 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 18 14.316 1.679 0.440 0.783 1.000 0.824 CB 1.119 18 residues pruned to eliminate duplicates Z: 16 14.398 1.760 0.374 0.873 0.933 0.733 CB 1.199 16 residues pruned to eliminate duplicates Z: 16 13.599 1.783 0.379 0.871 0.867 0.600 CB 1.201 16 residues pruned to eliminate duplicates Z: 15 11.999 1.750 0.395 0.826 0.857 0.714 CB 1.156 15 residues pruned to eliminate duplicates Z: 10 6.061 1.686 0.369 0.589 0.778 0.667 CB 1.034 10 residues pruned to eliminate duplicates Z: 17 13.783 1.706 0.412 0.871 0.875 0.562 CB 1.192 17 residues pruned to eliminate duplicates Z: 12 9.653 1.762 0.391 0.664 0.818 0.455 CB 1.247 12 residues pruned to eliminate duplicates Z: 13 10.258 1.698 0.616 0.639 0.917 0.333 CB 1.034 13 residues pruned to eliminate duplicates Z: 21 17.134 1.676 0.640 0.817 0.950 0.400 CB 1.114 19 residues pruned to eliminate duplicates Z: 17 16.524 1.719 0.675 0.884 1.000 0.625 CB 1.037 18 residues pruned to eliminate duplicates Z: 13 11.975 1.691 0.891 0.846 0.833 0.667 CB 0.964 13 residues pruned to eliminate duplicates Z: 13 14.851 1.678 0.868 0.871 0.917 0.500 CB 1.089 13 residues pruned to eliminate duplicates Z: 15 11.979 1.688 0.505 0.805 1.000 0.500 CB 0.966 15 residues pruned to eliminate duplicates Z: 13 20.380 1.856 0.705 0.705 1.000 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 10 21.198 1.984 0.713 0.785 1.000 0.778 N 1.617 10 residues pruned to eliminate duplicates Z: 13 7.052 2.001 0.320 0.342 0.667 0.333 CB 1.373 13 residues pruned to eliminate duplicates Z: 12 10.166 1.923 0.396 0.477 0.818 0.545 CB 1.428 12 residues pruned to eliminate duplicates Z: 14 21.406 1.997 0.651 0.684 1.000 0.692 CB 1.521 14 residues pruned to eliminate duplicates Z: 15 18.870 1.884 0.844 0.617 0.929 0.500 CB 1.399 15 residues pruned to eliminate duplicates Z: 19 21.441 1.801 0.791 0.633 0.944 0.500 CB 1.464 21 residues pruned to eliminate duplicates Z: 9 17.459 1.878 0.769 0.834 1.000 0.625 CB 1.392 9 residues pruned to eliminate duplicates Z: 13 23.162 2.124 0.663 0.653 1.000 0.500 CB 1.641 13 residues pruned to eliminate duplicates Z: 15 16.279 1.986 0.580 0.681 0.857 0.571 CB 1.369 15 residues pruned to eliminate duplicates Z: 20 11.862 1.659 0.748 0.437 0.842 0.474 CB 1.190 22 residues pruned to eliminate duplicates Z: 6 6.686 1.712 0.567 0.293 1.000 0.800 CA 1.405 6 residues pruned to eliminate duplicates Z: 22 11.953 1.674 0.571 0.431 0.857 0.429 CB 1.244 15 residues pruned to eliminate duplicates Z: 12 20.480 2.050 0.710 0.700 1.000 0.364 CB 1.467 13 residues pruned to eliminate duplicates Z: 8 10.941 1.924 0.503 0.561 0.857 0.571 CA 1.572 8 residues pruned to eliminate duplicates Z: 28 21.743 1.899 0.676 0.604 0.778 0.481 CB 1.531 28 residues pruned to eliminate duplicates Z: 12 17.699 2.159 0.658 0.637 0.909 0.636 CB 1.442 12 residues pruned to eliminate duplicates Z: 13 10.060 2.066 0.395 0.521 0.750 0.500 CA 1.316 13 residues pruned to eliminate duplicates Z: 27 22.017 2.043 0.587 0.508 0.885 0.423 CB 1.493 27 residues pruned to eliminate duplicates Z: 13 10.919 2.042 0.446 0.518 0.833 0.500 CA 1.259 13 residues pruned to eliminate duplicates Z: 29 19.473 1.961 0.713 0.483 0.893 0.464 CB 1.247 29 residues pruned to eliminate duplicates Z: 14 16.092 2.134 0.668 0.528 0.846 0.462 CB 1.441 14 residues pruned to eliminate duplicates Z: 28 19.299 2.047 0.623 0.502 0.852 0.481 CB 1.309 28 residues pruned to eliminate duplicates Z: 27 21.481 2.077 0.624 0.527 0.885 0.346 CB 1.375 26 residues pruned to eliminate duplicates Z: 6 6.326 1.366 1.230 0.413 1.000 0.800 N 1.017 6 residues pruned to eliminate duplicates Z: 27 24.527 2.097 0.691 0.541 0.923 0.538 CB 1.411 27 residues pruned to eliminate duplicates Z: 29 17.856 1.976 0.453 0.497 0.893 0.679 CB 1.321 29 residues pruned to eliminate duplicates Z: 29 19.153 2.030 0.516 0.498 0.893 0.536 CB 1.319 29 residues pruned to eliminate duplicates Z: 25 24.386 2.108 0.677 0.578 0.917 0.583 CB 1.426 25 residues pruned to eliminate duplicates Z: 26 16.267 2.051 0.495 0.460 0.800 0.440 CB 1.381 26 residues pruned to eliminate duplicates Z: 26 15.489 2.048 0.677 0.504 0.680 0.480 CB 1.321 26 residues pruned to eliminate duplicates Z: 15 7.540 1.883 0.537 0.373 0.714 0.429 CB 1.116 15 residues pruned to eliminate duplicates Z: 48 22.978 2.017 0.558 0.480 0.894 0.447 CB 1.218 48 residues pruned to eliminate duplicates Z: 43 20.344 2.049 0.519 0.452 0.833 0.310 CB 1.271 43 residues pruned to eliminate duplicates Z: 24 25.925 2.135 0.884 0.580 0.870 0.391 CB 1.431 31 residues pruned to eliminate duplicates Z: 16 15.048 1.772 0.558 0.629 0.800 0.467 O 1.557 16 residues pruned to eliminate duplicates Z: 23 18.649 2.120 0.701 0.433 0.818 0.364 CB 1.444 23 residues pruned to eliminate duplicates Z: 23 17.920 2.082 0.826 0.487 0.818 0.500 CB 1.244 23 residues pruned to eliminate duplicates Z: 20 18.677 2.168 0.651 0.575 0.895 0.474 CB 1.245 20 residues pruned to eliminate duplicates Z: 20 16.217 2.156 1.036 0.470 0.737 0.526 CB 1.187 20 residues pruned to eliminate duplicates Z: 19 26.572 2.255 1.014 0.582 0.944 0.389 CB 1.350 19 residues pruned to eliminate duplicates Z: 20 21.607 2.148 0.997 0.531 0.895 0.474 CB 1.252 20 residues pruned to eliminate duplicates Z: 21 21.438 2.159 0.868 0.490 0.750 0.550 CB 1.601 21 residues pruned to eliminate duplicates Z: 21 26.291 2.241 0.932 0.499 0.900 0.400 CB 1.510 21 residues pruned to eliminate duplicates Z: 20 21.377 2.219 0.784 0.573 0.895 0.316 CB 1.290 20 residues pruned to eliminate duplicates Z: 21 22.856 2.183 0.923 0.577 0.900 0.500 CB 1.256 21 residues pruned to eliminate duplicates Z: 42 27.889 2.142 0.780 0.482 0.829 0.439 CB 1.403 42 residues pruned to eliminate duplicates Z: 21 23.113 2.109 1.007 0.507 0.950 0.400 CB 1.277 19 residues pruned to eliminate duplicates Z: 19 15.266 1.918 0.721 0.663 0.833 0.667 CB 1.125 19 residues pruned to eliminate duplicates Z: 44 26.407 2.155 0.664 0.500 0.860 0.442 CB 1.304 44 residues pruned to eliminate duplicates Z: 44 25.423 2.139 0.621 0.474 0.837 0.628 CB 1.371 44 residues pruned to eliminate duplicates Z: 9 8.038 1.795 0.702 0.362 0.750 0.500 CB 1.440 10 residues pruned to eliminate duplicates Z: 6 7.087 1.762 0.561 0.404 1.000 0.600 CA 1.275 Z: 27 28.579 2.022 0.433 0.844 0.962 0.731 CB 1.497 27 residues pruned to eliminate duplicates Z: 16 21.824 1.886 0.890 0.746 0.933 0.467 CB 1.359 16 residues pruned to eliminate duplicates Z: 17 21.615 1.966 0.943 0.663 0.875 0.438 CB 1.389 17 residues pruned to eliminate duplicates Z: 38 27.132 2.010 0.470 0.692 0.946 0.568 CB 1.339 38 residues pruned to eliminate duplicates Z: 53 33.163 2.051 0.544 0.673 0.885 0.712 CB 1.400 56 residues pruned to eliminate duplicates Z: 22 32.817 2.034 0.625 0.919 1.000 0.810 CB 1.527 22 residues pruned to eliminate duplicates Z: 23 29.264 2.086 0.563 0.835 0.955 0.591 CB 1.501 23 residues pruned to eliminate duplicates Z: 26 31.508 2.066 0.717 0.816 0.920 0.600 CB 1.467 26 residues pruned to eliminate duplicates Z: 27 33.880 2.095 0.747 0.788 0.923 0.538 CB 1.527 27 residues pruned to eliminate duplicates Z: 28 29.492 2.056 0.744 0.774 0.852 0.481 CB 1.458 28 residues pruned to eliminate duplicates Z: 39 35.774 2.028 0.731 0.706 0.947 0.579 CB 1.446 39 residues pruned to eliminate duplicates Z: 40 34.976 2.036 0.660 0.716 0.949 0.590 CB 1.437 40 residues pruned to eliminate duplicates Z: 36 35.383 2.063 0.792 0.705 0.943 0.543 CB 1.424 36 residues pruned to eliminate duplicates Z: 22 26.957 2.057 0.738 0.866 0.905 0.619 CB 1.331 22 residues pruned to eliminate duplicates Z: 29 31.119 2.050 0.826 0.711 0.929 0.643 CB 1.397 29 residues pruned to eliminate duplicates Z: 39 32.699 2.028 0.781 0.701 0.868 0.553 CB 1.408 39 residues pruned to eliminate duplicates Z: 30 28.378 2.049 0.783 0.696 0.828 0.483 CB 1.457 30 residues pruned to eliminate duplicates Z: 27 36.288 2.080 0.790 0.793 0.962 0.577 CB 1.537 27 residues pruned to eliminate duplicates Z: 40 33.725 1.998 0.791 0.655 0.949 0.538 CB 1.377 40 residues pruned to eliminate duplicates Z: 65 30.885 1.936 0.562 0.600 0.875 0.531 CB 1.326 78 residues pruned to eliminate duplicates Z: 25 37.481 1.982 0.873 0.901 0.958 0.542 CB 1.535 25 residues pruned to eliminate duplicates Z: 39 30.758 2.031 0.795 0.666 0.868 0.500 CB 1.352 39 residues pruned to eliminate duplicates Z: 39 34.910 2.056 0.808 0.696 0.895 0.526 CB 1.423 39 residues pruned to eliminate duplicates Z: 53 43.720 2.098 0.732 0.709 0.904 0.654 CB 1.527 53 residues pruned to eliminate duplicates Z: 44 30.506 1.974 0.811 0.609 0.884 0.535 CB 1.328 44 residues pruned to eliminate duplicates Z: 50 32.408 1.994 0.776 0.640 0.837 0.592 CB 1.371 50 residues pruned to eliminate duplicates Z: 34 27.262 2.002 0.690 0.724 0.879 0.515 CB 1.304 34 residues pruned to eliminate duplicates Z: 40 37.406 2.011 0.826 0.712 0.949 0.564 CB 1.419 40 residues pruned to eliminate duplicates Z: 38 26.393 1.944 0.723 0.641 0.838 0.324 CB 1.355 38 residues pruned to eliminate duplicates Z: 40 33.215 2.003 0.792 0.720 0.923 0.487 CB 1.315 40 residues pruned to eliminate duplicates Z: 45 32.399 2.009 0.618 0.713 0.909 0.568 CB 1.363 45 residues pruned to eliminate duplicates Z: 39 28.562 1.946 0.836 0.668 0.895 0.368 CB 1.241 39 residues pruned to eliminate duplicates Z: 12 12.820 1.923 0.404 0.637 0.909 0.636 CB 1.385 12 residues pruned to eliminate duplicates Z: 52 28.057 2.019 0.639 0.550 0.804 0.471 CB 1.405 52 residues pruned to eliminate duplicates Z: 58 34.966 1.978 0.731 0.637 0.860 0.474 CB 1.384 59 residues pruned to eliminate duplicates Z: 15 33.811 2.202 0.807 0.837 0.929 0.643 CB 1.829 15 residues pruned to eliminate duplicates Z: 18 26.576 2.141 0.694 0.759 0.882 0.647 CB 1.599 18 residues pruned to eliminate duplicates Z: 16 26.296 2.205 0.594 0.828 0.867 0.733 CA 1.679 16 residues pruned to eliminate duplicates Z: 19 21.789 2.051 0.550 0.710 0.833 0.667 CB 1.602 19 residues pruned to eliminate duplicates Z: 23 29.724 2.078 0.842 0.621 0.909 0.591 CB 1.625 23 residues pruned to eliminate duplicates Z: 19 23.605 2.073 0.540 0.726 0.889 0.667 CB 1.599 19 residues pruned to eliminate duplicates Z: 24 26.801 2.055 0.649 0.614 0.913 0.609 CA 1.621 24 residues pruned to eliminate duplicates Z: 25 28.602 2.077 0.766 0.576 0.917 0.542 CB 1.613 23 residues pruned to eliminate duplicates Z: 15 38.076 2.275 0.679 0.933 1.000 0.929 CB 1.859 15 residues pruned to eliminate duplicates Z: 24 22.057 2.001 0.639 0.641 0.826 0.391 CB 1.488 24 residues pruned to eliminate duplicates Z: 21 31.833 2.134 0.983 0.714 0.900 0.650 CB 1.540 23 residues pruned to eliminate duplicates Z: 16 32.620 2.156 0.612 0.920 0.933 0.800 CA 1.829 16 residues pruned to eliminate duplicates Z: 18 27.917 2.139 0.813 0.751 0.824 0.588 CB 1.695 18 residues pruned to eliminate duplicates Z: 18 30.237 2.166 0.765 0.753 0.882 0.765 CB 1.736 18 residues pruned to eliminate duplicates Z: 23 25.345 2.104 0.699 0.635 0.864 0.636 CB 1.542 23 residues pruned to eliminate duplicates Z: 61 40.794 2.051 0.808 0.652 0.867 0.483 CB 1.423 56 residues pruned to eliminate duplicates 6 1.913 1.198 0.856 0.227 0.600 0.400 CA 0.883 ? Z: 12 12.742 1.984 0.147 0.610 0.909 0.727 CA 1.673 12 residues pruned to eliminate duplicates Z: 16 10.417 1.991 0.110 0.480 0.867 0.600 CA 1.432 16 residues pruned to eliminate duplicates Z: 34 14.641 1.808 0.328 0.486 0.848 0.545 CB 1.268 34 residues pruned to eliminate duplicates Z: 9 7.006 1.914 0.176 0.580 0.750 0.625 CA 1.359 9 residues pruned to eliminate duplicates Z: 7 3.930 1.941 0.210 0.437 0.667 0.500 CA 1.094 7 residues pruned to eliminate duplicates Z: 7 13.943 2.065 0.379 0.844 1.000 1.000 CB 1.486 7 residues pruned to eliminate duplicates Z: 11 10.711 1.859 0.481 0.684 0.800 0.700 CB 1.300 11 residues pruned to eliminate duplicates Z: 17 12.440 1.803 0.481 0.624 0.875 0.625 CB 1.184 17 residues pruned to eliminate duplicates Z: 12 6.057 1.841 0.146 0.549 0.727 0.273 CB 1.134 12 residues pruned to eliminate duplicates Z: 11 11.069 1.935 0.339 0.600 1.000 0.800 CB 1.228 11 residues pruned to eliminate duplicates Z: 11 13.969 1.906 0.656 0.755 0.900 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 16 8.818 1.689 0.243 0.432 0.867 0.467 CB 1.342 16 residues pruned to eliminate duplicates Z: 11 3.294 1.613 0.242 0.119 0.800 0.300 CB 1.049 Z: 7 4.165 1.209 0.648 0.315 1.000 0.167 C 1.048 7 residues pruned to eliminate duplicates Z: 32 20.974 1.876 0.463 0.573 0.839 0.677 CB 1.525 43 residues pruned to eliminate duplicates Z: 32 14.806 1.842 0.277 0.426 0.806 0.548 CB 1.513 32 residues pruned to eliminate duplicates Z: 8 3.003 1.618 0.573 0.327 0.571 0.143 CB 0.943 8 residues pruned to eliminate duplicates Z: 18 15.269 2.029 0.204 0.657 0.824 0.647 CB 1.591 18 residues pruned to eliminate duplicates Z: 25 14.984 1.953 0.193 0.548 0.875 0.583 CB 1.432 25 residues pruned to eliminate duplicates Z: 25 17.418 1.989 0.214 0.687 0.833 0.625 CB 1.489 25 residues pruned to eliminate duplicates Z: 21 27.911 2.050 0.531 0.844 0.900 0.800 CB 1.643 21 residues pruned to eliminate duplicates Z: 24 27.497 2.057 0.469 0.803 0.957 0.696 CB 1.522 24 residues pruned to eliminate duplicates Z: 30 37.326 1.939 0.611 0.916 1.000 0.828 CB 1.567 30 residues pruned to eliminate duplicates Z: 27 30.724 2.015 0.661 0.733 0.962 0.615 CB 1.519 30 residues pruned to eliminate duplicates Z: 25 31.973 2.004 0.394 0.905 1.000 0.708 CA 1.662 25 residues pruned to eliminate duplicates Z: 32 28.738 1.965 0.499 0.740 0.968 0.677 CB 1.460 32 residues pruned to eliminate duplicates Z: 34 30.366 1.920 0.507 0.779 0.939 0.636 CB 1.521 34 residues pruned to eliminate duplicates Z: 37 38.538 1.946 0.725 0.772 0.972 0.750 CB 1.547 37 residues pruned to eliminate duplicates Z: 39 31.525 1.892 0.594 0.728 0.947 0.474 CB 1.458 39 residues pruned to eliminate duplicates Z: 36 36.875 1.926 0.838 0.815 0.943 0.600 CB 1.420 36 residues pruned to eliminate duplicates Z: 34 35.015 1.945 0.922 0.804 0.879 0.455 CB 1.423 34 residues pruned to eliminate duplicates Z: 36 36.533 1.947 0.821 0.806 0.943 0.543 CB 1.414 36 residues pruned to eliminate duplicates Z: 36 36.676 1.968 0.719 0.814 0.971 0.657 CB 1.436 36 residues pruned to eliminate duplicates Z: 30 44.597 1.982 0.916 0.933 1.000 0.483 CB 1.522 30 residues pruned to eliminate duplicates Z: 30 44.316 1.966 0.845 0.926 0.966 0.517 CB 1.648 30 residues pruned to eliminate duplicates Z: 33 32.432 1.974 0.767 0.786 0.875 0.469 CB 1.460 33 residues pruned to eliminate duplicates Z: 18 21.200 1.792 0.714 0.772 0.882 0.471 CB 1.492 18 residues pruned to eliminate duplicates Z: 34 35.945 1.951 0.837 0.806 0.939 0.394 CB 1.424 34 residues pruned to eliminate duplicates Z: 37 35.235 1.907 0.837 0.797 0.972 0.444 CB 1.329 37 residues pruned to eliminate duplicates Z: 39 27.437 1.848 0.889 0.733 0.895 0.158 CB 1.156 39 residues pruned to eliminate duplicates Z: 22 17.704 1.793 0.703 0.742 0.714 0.238 CB 1.426 22 residues pruned to eliminate duplicates Z: 6 2.397 1.422 0.327 0.276 0.600 0.400 N 1.219 6 residues pruned to eliminate duplicates Z: 27 22.574 2.248 0.440 0.542 0.885 0.615 CB 1.484 27 residues pruned to eliminate duplicates Z: 16 15.088 2.155 0.423 0.500 0.867 0.600 CA 1.465 14 residues pruned to eliminate duplicates Z: 12 13.115 2.097 0.402 0.651 0.909 0.818 CA 1.285 12 residues pruned to eliminate duplicates Z: 49 29.391 2.192 0.390 0.536 0.938 0.479 CB 1.435 53 residues pruned to eliminate duplicates Z: 8 22.682 2.287 0.653 0.852 1.000 0.857 CB 1.678 8 residues pruned to eliminate duplicates Z: 28 26.620 2.249 0.659 0.533 0.926 0.519 CB 1.436 30 residues pruned to eliminate duplicates Z: 10 24.897 2.027 0.911 0.875 1.000 0.556 CB 1.558 10 residues pruned to eliminate duplicates Z: 26 26.762 2.272 0.702 0.558 0.960 0.520 CB 1.363 26 residues pruned to eliminate duplicates Z: 29 19.631 2.201 0.389 0.512 0.929 0.571 CB 1.292 29 residues pruned to eliminate duplicates Z: 40 29.220 2.169 0.557 0.556 0.949 0.641 CB 1.383 40 residues pruned to eliminate duplicates Z: 9 20.536 2.174 1.105 0.645 0.875 0.625 CB 1.584 9 residues pruned to eliminate duplicates Z: 28 26.757 2.218 0.664 0.545 0.963 0.704 CB 1.386 28 residues pruned to eliminate duplicates Z: 13 15.191 1.842 0.642 0.518 0.917 0.250 CB 1.554 13 residues pruned to eliminate duplicates Z: 30 20.994 2.065 0.692 0.523 0.828 0.517 CB 1.318 30 residues pruned to eliminate duplicates Z: 27 25.568 2.246 0.682 0.587 0.923 0.615 CB 1.323 27 residues pruned to eliminate duplicates Z: 25 23.235 2.235 0.720 0.492 0.958 0.625 CB 1.298 25 residues pruned to eliminate duplicates Z: 86 49.193 2.161 0.663 0.614 0.882 0.671 CB 1.510 86 residues pruned to eliminate duplicates Z: 28 26.964 2.243 0.675 0.545 0.963 0.630 CB 1.373 28 residues pruned to eliminate duplicates Z: 28 25.734 2.240 0.591 0.560 0.926 0.593 CB 1.416 28 residues pruned to eliminate duplicates Z: 16 16.955 2.146 0.555 0.602 0.933 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 30 24.195 2.169 0.463 0.516 0.966 0.517 CB 1.444 30 residues pruned to eliminate duplicates Z: 16 16.376 2.156 0.472 0.537 0.933 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 35 30.090 2.206 0.599 0.571 0.882 0.647 CB 1.548 35 residues pruned to eliminate duplicates Z: 37 33.197 2.200 0.642 0.558 0.917 0.583 CB 1.579 37 residues pruned to eliminate duplicates Z: 17 19.531 2.015 0.629 0.719 0.812 0.438 CB 1.501 17 residues pruned to eliminate duplicates Z: 37 29.860 2.237 0.632 0.566 0.861 0.583 CB 1.485 37 residues pruned to eliminate duplicates Z: 34 33.508 2.236 0.756 0.568 0.909 0.515 CB 1.530 34 residues pruned to eliminate duplicates Z: 36 33.479 2.195 0.684 0.548 0.914 0.486 CB 1.597 36 residues pruned to eliminate duplicates Z: 10 16.512 1.855 0.560 0.792 1.000 0.556 CB 1.472 10 residues pruned to eliminate duplicates Z: 39 29.900 2.129 0.862 0.511 0.789 0.553 CB 1.532 39 residues pruned to eliminate duplicates Z: 38 32.999 2.185 0.714 0.544 0.919 0.541 CB 1.510 38 residues pruned to eliminate duplicates Z: 32 22.483 2.135 0.503 0.555 0.871 0.581 CB 1.369 32 residues pruned to eliminate duplicates Z: 12 18.691 2.120 0.721 0.634 0.818 0.364 N 1.665 12 residues pruned to eliminate duplicates Z: 20 16.054 2.141 0.546 0.561 0.737 0.526 CB 1.424 20 residues pruned to eliminate duplicates Z: 44 20.642 2.092 0.436 0.505 0.860 0.465 CB 1.212 44 residues pruned to eliminate duplicates Z: 25 8.945 1.929 0.195 0.440 0.875 0.583 CB 0.963 25 residues pruned to eliminate duplicates Z: 10 10.720 2.006 0.519 0.486 1.000 0.778 CB 1.189 10 residues pruned to eliminate duplicates Z: 48 29.332 2.143 0.714 0.495 0.894 0.532 CB 1.310 51 residues pruned to eliminate duplicates Z: 8 9.021 1.827 0.434 0.827 1.000 0.714 CB 0.981 8 residues pruned to eliminate duplicates Z: 48 25.051 2.131 0.691 0.455 0.851 0.596 CB 1.247 46 residues pruned to eliminate duplicates Z: 10 7.194 1.921 0.473 0.562 1.000 0.889 CB 0.798 10 residues pruned to eliminate duplicates Z: 17 10.328 2.047 0.487 0.496 0.875 0.625 CB 0.974 17 residues pruned to eliminate duplicates Z: 18 10.379 1.950 0.498 0.437 0.824 0.529 CB 1.117 18 residues pruned to eliminate duplicates Z: 18 11.043 1.959 0.424 0.491 0.824 0.647 CB 1.177 18 residues pruned to eliminate duplicates Z: 7 4.413 1.379 0.679 0.536 1.000 0.833 CA 0.751 Z: 6 7.627 1.791 0.521 0.408 1.000 0.800 CA 1.379 6 residues pruned to eliminate duplicates Z: 6 6.068 2.020 -0.112 0.657 0.800 0.800 CB 1.634 6 residues pruned to eliminate duplicates Z: 61 24.245 1.974 0.368 0.491 0.917 0.617 CB 1.277 61 residues pruned to eliminate duplicates Z: 51 23.606 2.023 0.413 0.508 0.900 0.600 CB 1.288 51 residues pruned to eliminate duplicates Z: 60 28.187 2.001 0.512 0.538 0.898 0.627 CB 1.302 60 residues pruned to eliminate duplicates Z: 62 28.525 2.008 0.382 0.518 0.967 0.590 CB 1.337 62 residues pruned to eliminate duplicates Z: 60 27.871 2.026 0.416 0.535 0.915 0.661 CB 1.336 60 residues pruned to eliminate duplicates Z: 59 27.699 2.022 0.432 0.521 0.948 0.638 CB 1.296 59 residues pruned to eliminate duplicates Z: 67 25.676 1.939 0.435 0.551 0.879 0.682 CB 1.231 67 residues pruned to eliminate duplicates Z: 44 31.938 2.001 0.545 0.694 0.977 0.767 CB 1.352 44 residues pruned to eliminate duplicates Z: 51 28.389 1.914 0.465 0.608 0.960 0.660 CB 1.347 51 residues pruned to eliminate duplicates Z: 48 30.195 2.032 0.565 0.593 0.957 0.745 CB 1.324 48 residues pruned to eliminate duplicates Z: 36 28.804 2.121 0.634 0.585 0.943 0.657 CB 1.373 36 residues pruned to eliminate duplicates Z: 40 32.785 2.058 0.649 0.656 0.974 0.667 CB 1.373 40 residues pruned to eliminate duplicates Z: 46 30.059 1.973 0.569 0.633 0.978 0.600 CB 1.307 46 residues pruned to eliminate duplicates Z: 61 27.930 1.996 0.460 0.532 0.900 0.617 CB 1.333 61 residues pruned to eliminate duplicates Z: 68 28.094 1.962 0.481 0.562 0.910 0.597 CB 1.222 68 residues pruned to eliminate duplicates Z: 60 30.747 2.005 0.557 0.581 0.932 0.712 CB 1.272 60 residues pruned to eliminate duplicates Z: 64 29.202 1.981 0.463 0.576 0.952 0.651 CB 1.238 64 residues pruned to eliminate duplicates Z: 50 23.334 1.999 0.477 0.488 0.878 0.653 CB 1.302 50 residues pruned to eliminate duplicates Z: 50 25.574 1.909 0.482 0.573 0.939 0.653 CB 1.283 50 residues pruned to eliminate duplicates Z: 57 27.621 1.960 0.547 0.578 0.929 0.607 CB 1.216 57 residues pruned to eliminate duplicates Z: 63 29.551 1.981 0.570 0.543 0.903 0.710 CB 1.281 63 residues pruned to eliminate duplicates Z: 39 27.850 1.965 0.709 0.540 0.921 0.658 CB 1.404 39 residues pruned to eliminate duplicates Z: 56 28.799 1.997 0.529 0.573 0.909 0.655 CB 1.304 56 residues pruned to eliminate duplicates Z: 62 29.829 1.964 0.518 0.558 0.984 0.754 CB 1.232 62 residues pruned to eliminate duplicates Z: 51 27.669 2.001 0.603 0.498 0.920 0.580 CB 1.329 51 residues pruned to eliminate duplicates Z: 44 26.569 2.071 0.651 0.510 0.907 0.605 CB 1.293 44 residues pruned to eliminate duplicates Z: 24 16.012 1.947 0.248 0.521 0.957 0.826 CB 1.408 24 residues pruned to eliminate duplicates Z: 41 31.392 2.036 0.569 0.682 1.000 0.675 CB 1.315 41 residues pruned to eliminate duplicates Z: 42 29.432 2.011 0.648 0.631 0.927 0.537 CB 1.322 42 residues pruned to eliminate duplicates Z: 65 29.303 1.988 0.402 0.565 0.953 0.688 CB 1.294 65 residues pruned to eliminate duplicates Z: 46 30.485 1.976 0.500 0.631 0.978 0.711 CB 1.386 46 residues pruned to eliminate duplicates Z: 42 30.450 2.046 0.549 0.663 0.976 0.756 CB 1.323 42 residues pruned to eliminate duplicates Z: 64 29.028 1.965 0.505 0.560 0.952 0.667 CB 1.225 64 residues pruned to eliminate duplicates Z: 49 29.640 1.992 0.531 0.607 0.938 0.708 CB 1.352 49 residues pruned to eliminate duplicates Z: 64 26.124 1.966 0.475 0.571 0.905 0.603 CB 1.171 64 residues pruned to eliminate duplicates Z: 46 26.213 1.987 0.485 0.630 0.911 0.711 CB 1.286 46 residues pruned to eliminate duplicates Z: 27 18.923 1.946 0.393 0.579 1.000 0.846 CB 1.268 27 residues pruned to eliminate duplicates Z: 47 27.855 1.944 0.612 0.629 0.957 0.652 CB 1.213 47 residues pruned to eliminate duplicates Z: 67 29.382 1.953 0.550 0.562 0.924 0.591 CB 1.217 67 residues pruned to eliminate duplicates Z: 64 28.029 1.934 0.498 0.563 0.937 0.667 CB 1.224 64 residues pruned to eliminate duplicates Z: 27 15.779 1.887 0.378 0.568 1.000 0.692 CB 1.115 27 residues pruned to eliminate duplicates Z: 65 28.319 1.964 0.429 0.573 0.938 0.656 CB 1.254 65 residues pruned to eliminate duplicates Z: 73 31.255 1.945 0.533 0.577 0.931 0.681 CB 1.233 80 residues pruned to eliminate duplicates Z: 48 30.743 1.943 0.697 0.636 0.957 0.660 CB 1.250 48 residues pruned to eliminate duplicates Z: 35 19.012 1.890 0.615 0.548 0.882 0.618 CB 1.156 35 residues pruned to eliminate duplicates Z: 31 23.307 2.013 0.517 0.601 0.967 0.633 CB 1.309 31 residues pruned to eliminate duplicates Z: 46 30.926 1.974 0.682 0.654 0.978 0.622 CB 1.230 46 residues pruned to eliminate duplicates Z: 50 25.192 2.108 0.367 0.581 0.857 0.592 CB 1.348 50 residues pruned to eliminate duplicates Z: 10 8.260 2.009 0.280 0.405 0.778 0.444 CB 1.522 10 residues pruned to eliminate duplicates Z: 30 18.706 1.944 0.319 0.644 0.897 0.724 CB 1.322 30 residues pruned to eliminate duplicates Z: 27 21.114 2.040 0.327 0.675 0.885 0.769 CB 1.471 27 residues pruned to eliminate duplicates Z: 27 14.711 1.877 0.353 0.511 0.885 0.692 CB 1.270 27 residues pruned to eliminate duplicates Z: 8 7.611 2.059 0.238 0.448 0.857 0.429 CB 1.388 8 residues pruned to eliminate duplicates Z: 60 27.688 2.073 0.337 0.569 0.898 0.644 CB 1.355 60 residues pruned to eliminate duplicates Z: 22 23.209 1.979 0.633 0.645 0.952 0.667 CA 1.436 35 residues pruned to eliminate duplicates Z: 15 28.175 2.214 0.578 0.897 0.929 0.857 CA 1.662 22 residues pruned to eliminate duplicates Z: 17 26.073 1.999 0.860 0.826 0.875 0.812 CA 1.511 17 residues pruned to eliminate duplicates Z: 29 24.474 2.039 0.519 0.647 0.893 0.786 CB 1.457 29 residues pruned to eliminate duplicates Z: 60 28.856 2.079 0.529 0.537 0.831 0.559 CB 1.373 60 residues pruned to eliminate duplicates Z: 27 26.526 2.003 0.585 0.700 0.962 0.731 CB 1.421 27 residues pruned to eliminate duplicates Z: 28 27.625 2.046 0.505 0.708 0.963 0.741 CB 1.485 28 residues pruned to eliminate duplicates Z: 16 30.105 2.183 0.785 0.826 0.933 0.667 CA 1.611 15 residues pruned to eliminate duplicates Z: 17 23.494 2.071 0.779 0.765 0.875 0.500 CB 1.440 17 residues pruned to eliminate duplicates Z: 27 26.960 2.037 0.657 0.673 0.962 0.769 CB 1.389 27 residues pruned to eliminate duplicates Z: 29 27.863 2.048 0.549 0.679 0.964 0.750 CB 1.459 27 residues pruned to eliminate duplicates Z: 6 3.540 1.358 0.613 0.478 1.000 0.800 CB 0.739 Z: 11 17.193 2.183 0.658 0.779 0.800 0.200 CB 1.468 11 residues pruned to eliminate duplicates Z: 11 19.272 2.303 0.566 0.833 0.800 0.300 CB 1.585 11 residues pruned to eliminate duplicates Z: 34 17.939 2.162 0.511 0.454 0.788 0.303 CB 1.272 34 residues pruned to eliminate duplicates Z: 48 31.318 2.148 0.826 0.507 0.872 0.574 CB 1.325 48 residues pruned to eliminate duplicates Z: 36 22.851 2.126 0.747 0.508 0.800 0.571 CB 1.290 36 residues pruned to eliminate duplicates Z: 38 27.237 2.121 0.781 0.515 0.865 0.486 CB 1.350 38 residues pruned to eliminate duplicates Z: 113 58.818 2.197 0.646 0.646 0.875 0.643 CB 1.533 113 residues pruned to eliminate duplicates Z: 34 22.204 2.166 0.565 0.467 0.879 0.364 CB 1.341 34 residues pruned to eliminate duplicates Z: 52 26.632 2.036 0.676 0.480 0.941 0.510 CB 1.185 64 residues pruned to eliminate duplicates Z: 13 19.259 2.033 0.457 0.714 0.917 0.500 CB 1.686 13 residues pruned to eliminate duplicates Z: 28 26.353 2.036 0.836 0.693 0.889 0.593 CB 1.279 28 residues pruned to eliminate duplicates Z: 42 23.641 1.961 0.751 0.522 0.854 0.439 CB 1.233 42 residues pruned to eliminate duplicates Z: 40 22.301 2.133 0.652 0.463 0.846 0.513 CB 1.245 40 residues pruned to eliminate duplicates Z: 48 29.784 2.108 0.760 0.547 0.872 0.553 CB 1.282 48 residues pruned to eliminate duplicates Z: 34 23.191 2.108 0.736 0.466 0.848 0.576 CB 1.345 34 residues pruned to eliminate duplicates Z: 82 62.168 2.297 0.804 0.676 0.901 0.679 CB 1.573 81 residues pruned to eliminate duplicates Z: 7 7.162 1.623 0.985 0.531 0.833 0.500 CA 1.056 7 residues pruned to eliminate duplicates Z: 81 52.577 2.215 0.591 0.657 0.950 0.725 CB 1.518 81 residues pruned to eliminate duplicates Z: 21 16.412 2.160 0.803 0.371 0.850 0.400 CB 1.273 21 residues pruned to eliminate duplicates Z: 46 27.360 2.077 0.757 0.511 0.844 0.578 CB 1.309 46 residues pruned to eliminate duplicates Z: 65 55.170 2.283 0.724 0.718 0.891 0.703 CB 1.615 65 residues pruned to eliminate duplicates Z: 31 12.656 1.969 0.554 0.302 0.800 0.333 CB 1.178 31 residues pruned to eliminate duplicates Z: 71 51.459 2.231 0.615 0.676 0.886 0.743 CB 1.639 71 residues pruned to eliminate duplicates Z: 30 25.991 2.250 0.751 0.518 0.897 0.586 CB 1.342 30 residues pruned to eliminate duplicates Z: 66 54.711 2.273 0.682 0.700 0.908 0.738 CB 1.630 66 residues pruned to eliminate duplicates Z: 38 22.472 2.159 0.605 0.458 0.865 0.541 CB 1.287 38 residues pruned to eliminate duplicates Z: 39 25.633 2.104 0.749 0.472 0.842 0.553 CB 1.381 39 residues pruned to eliminate duplicates Z: 31 24.018 2.252 0.583 0.510 0.867 0.633 CB 1.405 31 residues pruned to eliminate duplicates Z: 99 54.283 2.176 0.634 0.660 0.888 0.622 CB 1.498 99 residues pruned to eliminate duplicates Z: 88 62.109 2.246 0.744 0.659 0.908 0.690 CB 1.615 88 residues pruned to eliminate duplicates Z: 66 52.142 2.268 0.622 0.700 0.923 0.631 CB 1.588 66 residues pruned to eliminate duplicates Z: 65 52.264 2.241 0.649 0.684 0.969 0.688 CB 1.542 65 residues pruned to eliminate duplicates Z: 45 49.418 2.280 0.697 0.736 0.932 0.795 CB 1.672 45 residues pruned to eliminate duplicates Z: 89 54.355 2.165 0.709 0.628 0.898 0.568 CB 1.546 89 residues pruned to eliminate duplicates Z: 15 21.000 2.171 1.194 0.549 0.857 0.643 CA 1.310 15 residues pruned to eliminate duplicates Z: 56 57.219 2.267 0.693 0.791 0.945 0.800 CB 1.647 56 residues pruned to eliminate duplicates Z: 56 54.031 2.255 0.667 0.792 0.945 0.745 CB 1.586 56 residues pruned to eliminate duplicates Z: 64 49.157 2.262 0.726 0.619 0.889 0.683 CB 1.595 64 residues pruned to eliminate duplicates Z: 98 53.949 2.176 0.674 0.644 0.876 0.619 CB 1.500 98 residues pruned to eliminate duplicates Z: 89 58.093 2.254 0.754 0.664 0.886 0.716 CB 1.519 87 residues pruned to eliminate duplicates Z: 41 50.549 2.286 0.632 0.866 0.950 0.850 CA 1.651 41 residues pruned to eliminate duplicates Z: 66 51.477 2.269 0.748 0.705 0.846 0.738 CB 1.580 66 residues pruned to eliminate duplicates Z: 55 60.930 2.281 0.835 0.806 0.926 0.685 CB 1.638 55 residues pruned to eliminate duplicates Z: 90 57.564 2.249 0.681 0.654 0.899 0.685 CB 1.555 90 residues pruned to eliminate duplicates Z: 76 52.697 2.267 0.682 0.616 0.920 0.667 CB 1.554 76 residues pruned to eliminate duplicates Z: 66 51.547 2.271 0.676 0.680 0.892 0.631 CB 1.596 66 residues pruned to eliminate duplicates Z: 68 54.214 2.208 0.722 0.664 0.925 0.627 CB 1.617 68 residues pruned to eliminate duplicates Z: 48 41.079 2.139 0.671 0.685 0.872 0.766 CB 1.623 48 residues pruned to eliminate duplicates Z: 75 62.266 2.288 0.853 0.664 0.946 0.730 CB 1.550 75 residues pruned to eliminate duplicates Z: 57 54.223 2.191 0.969 0.701 0.929 0.696 CB 1.506 57 residues pruned to eliminate duplicates Z: 76 58.817 2.278 0.863 0.657 0.907 0.627 CB 1.526 76 residues pruned to eliminate duplicates Z: 65 56.757 2.294 0.856 0.701 0.906 0.734 CB 1.531 65 residues pruned to eliminate duplicates Z: 65 57.717 2.279 0.875 0.724 0.906 0.688 CB 1.522 65 residues pruned to eliminate duplicates Z: 66 54.709 2.263 0.797 0.690 0.892 0.677 CB 1.572 66 residues pruned to eliminate duplicates Z: 78 53.421 2.254 0.727 0.636 0.896 0.623 CB 1.536 78 residues pruned to eliminate duplicates Z: 78 59.972 2.286 0.851 0.640 0.909 0.662 CB 1.559 78 residues pruned to eliminate duplicates Z: 67 58.441 2.238 0.857 0.704 0.924 0.636 CB 1.555 67 residues pruned to eliminate duplicates Z: 79 52.903 2.254 0.773 0.632 0.885 0.628 CB 1.496 79 residues pruned to eliminate duplicates Z: 68 56.525 2.249 0.782 0.678 0.925 0.642 CB 1.581 68 residues pruned to eliminate duplicates Z: 66 59.266 2.263 0.841 0.697 0.954 0.585 CB 1.545 66 residues pruned to eliminate duplicates Z: 58 60.451 2.250 0.854 0.760 0.947 0.702 CB 1.608 58 residues pruned to eliminate duplicates Z: 90 62.220 2.253 0.887 0.663 0.921 0.584 CB 1.448 90 residues pruned to eliminate duplicates Z: 31 55.641 2.254 0.956 0.939 0.967 0.633 CB 1.656 31 residues pruned to eliminate duplicates Z: 67 62.084 2.275 0.918 0.728 0.939 0.576 CB 1.518 67 residues pruned to eliminate duplicates Z: 57 52.101 2.228 0.854 0.741 0.911 0.536 CB 1.491 57 residues pruned to eliminate duplicates Z: 68 54.139 2.246 0.851 0.690 0.881 0.567 CB 1.517 68 residues pruned to eliminate duplicates Z: 67 54.818 2.273 0.860 0.699 0.924 0.485 CB 1.440 67 residues pruned to eliminate duplicates Z: 98 60.408 2.167 0.845 0.641 0.918 0.588 CB 1.465 98 residues pruned to eliminate duplicates Z: 32 41.951 2.062 0.887 0.770 0.935 0.581 CB 1.630 32 residues pruned to eliminate duplicates Z: 44 55.220 2.190 0.913 0.875 0.977 0.581 CB 1.497 44 residues pruned to eliminate duplicates Z: 99 65.785 2.174 0.896 0.673 0.949 0.582 CB 1.449 98 residues pruned to eliminate duplicates Z: 44 58.958 2.188 0.948 0.863 0.977 0.605 CB 1.585 44 residues pruned to eliminate duplicates Z: 89 66.853 2.230 0.895 0.664 0.932 0.591 CB 1.555 89 residues pruned to eliminate duplicates Z: 14 25.124 2.144 0.633 0.878 1.000 0.846 CB 1.444 15 residues pruned to eliminate duplicates Z: 17 19.726 1.930 0.741 0.775 0.875 0.750 CB 1.316 17 residues pruned to eliminate duplicates Z: 15 25.856 2.085 1.031 0.732 1.000 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 95 52.209 2.158 0.801 0.607 0.904 0.511 CB 1.384 95 residues pruned to eliminate duplicates Z: 18 20.040 1.998 0.763 0.682 0.882 0.471 CB 1.324 18 residues pruned to eliminate duplicates Z: 67 60.070 2.257 1.033 0.685 0.924 0.424 CB 1.471 67 residues pruned to eliminate duplicates Z: 68 57.435 2.265 0.933 0.701 0.896 0.552 CB 1.491 68 residues pruned to eliminate duplicates Z: 15 28.968 2.143 0.964 0.827 1.000 0.571 CB 1.385 15 residues pruned to eliminate duplicates Z: 33 36.101 2.061 0.813 0.808 0.875 0.625 CB 1.493 33 residues pruned to eliminate duplicates Z: 14 24.707 2.049 0.753 0.794 1.000 0.846 CB 1.474 14 residues pruned to eliminate duplicates Z: 17 21.057 1.950 0.684 0.756 0.938 0.688 CB 1.361 17 residues pruned to eliminate duplicates Z: 18 20.744 2.010 0.606 0.714 0.941 0.353 CB 1.365 18 residues pruned to eliminate duplicates Z: 49 25.069 2.119 0.606 0.497 0.812 0.562 CB 1.314 49 residues pruned to eliminate duplicates Z: 28 19.145 2.029 0.719 0.465 0.889 0.556 CB 1.232 28 residues pruned to eliminate duplicates Z: 15 11.554 1.815 0.464 0.375 0.929 0.429 CB 1.430 997 residues left after pruning, divided into chains as follows: A: 13 B: 8 C: 20 D: 12 E: 10 F: 13 G: 7 H: 15 I: 21 J: 9 K: 8 L: 13 M: 30 N: 19 O: 28 P: 55 Q: 21 R: 217 S: 23 T: 23 U: 14 V: 10 W: 44 X: 82 Y: 16 Z: 37 Z: 50 Z: 67 Z: 112 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.85 % ------------------------------------------------------------------------------ Global autotracing cycle 9 = 0.300, Contrast = 0.509, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.578, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.671, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.674, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.678, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.679, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.681, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.682, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.683, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.682, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7600 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1642 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 31.604 2.506 0.672 0.906 0.900 0.800 CB 1.885 B: 13 34.647 2.328 0.900 0.914 0.917 0.833 CA 1.744 11 residues pruned to eliminate duplicates C: 13 29.524 2.322 0.530 0.907 1.000 0.917 CB 1.705 13 residues pruned to eliminate duplicates D: 10 21.015 1.994 1.026 0.822 0.889 0.667 CB 1.475 E: 13 28.587 2.223 0.832 0.923 1.000 0.917 CA 1.424 F: 14 29.566 2.262 0.617 0.881 1.000 0.769 CB 1.623 13 residues pruned to eliminate duplicates G: 12 40.343 2.446 0.875 0.913 1.000 0.909 CA 1.877 14 residues pruned to eliminate duplicates H: 14 29.801 2.156 0.971 0.886 0.923 0.923 CB 1.521 14 residues pruned to eliminate duplicates I: 11 32.334 2.286 0.871 0.906 1.000 0.600 CB 1.700 J: 10 20.822 1.898 0.962 0.763 0.889 0.556 CA 1.660 11 residues pruned to eliminate duplicates K: 13 30.037 2.191 1.119 0.861 0.917 0.750 CA 1.497 13 residues pruned to eliminate duplicates L: 31 46.544 2.275 0.567 0.945 1.000 0.867 CA 1.650 M: 16 32.152 2.105 0.840 0.891 0.933 0.600 CA 1.651 16 residues pruned to eliminate duplicates N: 9 24.951 2.151 0.702 0.872 1.000 0.875 C 1.757 O: 12 24.259 2.138 0.588 0.901 1.000 0.818 CA 1.538 12 residues pruned to eliminate duplicates P: 13 22.447 2.065 0.623 0.879 0.833 0.750 CB 1.683 Q: 13 38.580 2.322 1.027 0.933 1.000 0.833 CA 1.652 12 residues pruned to eliminate duplicates R: 14 23.357 2.072 0.500 0.851 0.923 0.462 N 1.672 13 residues pruned to eliminate duplicates S: 7 12.106 2.076 0.329 0.878 1.000 1.000 CA 1.300 T: 8 16.093 1.930 0.898 0.825 1.000 0.714 N 1.253 U: 10 15.035 2.144 0.393 0.808 0.889 0.889 CB 1.442 V: 15 20.522 2.103 0.373 0.870 0.857 0.714 CB 1.617 15 residues pruned to eliminate duplicates W: 9 31.540 2.196 1.122 0.909 1.000 1.000 CB 1.698 9 residues pruned to eliminate duplicates X: 26 32.401 1.983 0.643 0.883 1.000 0.760 CA 1.438 Y: 9 27.824 2.218 0.892 0.908 1.000 1.000 CA 1.665 9 residues pruned to eliminate duplicates Z: 7 8.571 1.814 0.730 0.841 0.833 0.833 CB 0.998 Z: 14 23.635 2.033 0.518 0.875 0.923 0.692 CB 1.673 15 residues pruned to eliminate duplicates Z: 15 21.828 2.003 0.494 0.847 0.929 0.857 CB 1.558 14 residues pruned to eliminate duplicates Z: 12 27.737 2.442 0.557 0.909 0.909 0.909 CA 1.717 12 residues pruned to eliminate duplicates Z: 30 49.838 2.323 0.639 0.931 1.000 0.897 CA 1.699 31 residues pruned to eliminate duplicates Z: 16 25.962 2.085 0.682 0.881 0.867 0.533 CB 1.597 Z: 13 23.248 2.274 0.368 0.899 1.000 0.833 CA 1.542 13 residues pruned to eliminate duplicates Z: 11 16.132 1.728 0.686 0.804 1.000 0.700 O 1.342 11 residues pruned to eliminate duplicates Z: 15 19.722 1.794 0.568 0.873 1.000 0.714 CB 1.365 Z: 11 24.783 2.173 0.875 0.876 0.900 0.800 CB 1.553 11 residues pruned to eliminate duplicates Z: 13 23.958 1.984 0.801 0.846 0.917 0.583 CB 1.569 13 residues pruned to eliminate duplicates Z: 8 25.210 2.440 0.531 0.901 1.000 0.857 CB 1.821 8 residues pruned to eliminate duplicates Z: 14 26.264 2.184 0.767 0.869 0.923 0.615 CA 1.493 14 residues pruned to eliminate duplicates Z: 31 47.737 2.276 0.658 0.918 0.967 0.800 CA 1.685 31 residues pruned to eliminate duplicates Z: 14 28.497 2.227 0.832 0.864 0.923 0.692 CA 1.539 14 residues pruned to eliminate duplicates Z: 12 20.727 2.193 0.592 0.833 1.000 0.818 CB 1.342 10 residues pruned to eliminate duplicates Z: 9 20.892 2.018 0.588 0.814 1.000 1.000 CA 1.754 10 residues pruned to eliminate duplicates Z: 16 25.797 1.999 0.930 0.820 1.000 0.733 CB 1.307 Z: 48 31.474 1.956 0.572 0.640 0.979 0.681 CB 1.339 Z: 17 29.284 2.014 0.703 0.891 0.938 0.750 CA 1.637 16 residues pruned to eliminate duplicates Z: 11 28.619 2.195 0.825 0.924 1.000 0.700 CB 1.587 14 residues pruned to eliminate duplicates Z: 93 53.694 2.197 0.695 0.547 0.935 0.587 CB 1.535 29 residues pruned to eliminate duplicates Z: 15 20.728 2.167 0.441 0.872 0.857 0.643 CB 1.509 15 residues pruned to eliminate duplicates Z: 17 23.587 2.017 0.726 0.831 0.875 0.750 CA 1.455 Z: 13 21.123 1.962 0.499 0.922 1.000 0.833 CA 1.459 12 residues pruned to eliminate duplicates Z: 15 32.791 2.224 0.664 0.929 0.929 0.429 CA 1.784 16 residues pruned to eliminate duplicates Z: 9 18.558 2.009 0.486 0.789 1.000 0.750 CA 1.706 Z: 8 15.416 1.961 0.406 0.886 1.000 0.857 CA 1.526 8 residues pruned to eliminate duplicates Z: 9 20.445 2.064 0.546 0.829 1.000 0.875 N 1.704 9 residues pruned to eliminate duplicates Z: 61 27.441 1.992 0.543 0.552 0.883 0.700 CB 1.240 40 residues pruned to eliminate duplicates Z: 23 38.522 2.295 0.774 0.905 0.909 0.636 CB 1.580 23 residues pruned to eliminate duplicates Z: 11 31.094 2.084 1.420 0.894 0.900 0.500 CB 1.554 11 residues pruned to eliminate duplicates Z: 10 36.756 2.305 1.205 0.896 1.000 0.667 CB 1.726 11 residues pruned to eliminate duplicates Z: 28 38.946 1.977 0.740 0.936 1.000 0.889 CB 1.516 27 residues pruned to eliminate duplicates Z: 30 40.654 2.113 0.667 0.915 1.000 0.793 CA 1.515 Z: 20 27.966 2.030 0.683 0.875 0.895 0.684 CA 1.527 20 residues pruned to eliminate duplicates Z: 12 19.458 2.122 0.515 0.837 0.909 0.818 CB 1.501 12 residues pruned to eliminate duplicates Z: 17 22.524 1.949 0.860 0.784 0.875 0.812 CB 1.382 16 residues pruned to eliminate duplicates Z: 10 25.919 2.374 0.547 0.886 1.000 0.889 CB 1.697 Z: 15 32.680 2.229 0.707 0.937 0.929 0.500 CB 1.720 15 residues pruned to eliminate duplicates Z: 15 27.972 2.131 0.813 0.909 0.929 0.429 CB 1.479 15 residues pruned to eliminate duplicates Z: 6 9.527 2.130 0.096 0.611 1.000 1.000 O 1.642 Z: 10 26.458 2.366 0.646 0.882 1.000 0.889 CB 1.638 10 residues pruned to eliminate duplicates Z: 23 36.988 2.204 0.960 0.916 0.818 0.409 CB 1.576 23 residues pruned to eliminate duplicates Z: 17 23.628 2.071 0.433 0.813 0.938 0.875 CA 1.616 17 residues pruned to eliminate duplicates Z: 15 11.047 1.779 0.285 0.721 0.786 0.643 CB 1.347 15 residues pruned to eliminate duplicates Z: 24 38.377 2.094 0.726 0.934 0.957 0.652 CB 1.615 Z: 7 14.571 2.049 0.705 0.799 1.000 0.667 CA 1.311 8 residues pruned to eliminate duplicates Z: 30 45.242 2.282 0.491 0.947 1.000 0.931 CB 1.705 30 residues pruned to eliminate duplicates Z: 13 36.778 2.304 0.900 0.922 1.000 0.667 CA 1.706 13 residues pruned to eliminate duplicates Z: 9 20.548 1.994 0.695 0.795 1.000 0.750 CA 1.660 9 residues pruned to eliminate duplicates Z: 14 35.982 2.260 1.042 0.880 0.923 0.538 CA 1.698 14 residues pruned to eliminate duplicates Z: 13 20.092 1.956 0.579 0.872 0.917 0.750 CB 1.493 13 residues pruned to eliminate duplicates Z: 16 29.302 2.107 0.565 0.921 0.933 0.800 CA 1.730 16 residues pruned to eliminate duplicates Z: 45 28.118 2.159 0.626 0.403 0.909 0.636 CB 1.471 14 residues pruned to eliminate duplicates Z: 29 40.762 2.172 0.677 0.903 0.929 0.821 CA 1.623 29 residues pruned to eliminate duplicates Z: 31 38.836 2.229 0.445 0.927 1.000 0.933 CA 1.543 31 residues pruned to eliminate duplicates Z: 12 15.448 2.106 0.394 0.792 0.909 0.636 CB 1.350 12 residues pruned to eliminate duplicates Z: 6 15.208 2.174 0.533 0.810 1.000 1.000 CA 1.557 7 residues pruned to eliminate duplicates Z: 11 19.881 2.100 0.355 0.784 1.000 0.600 CA 1.721 11 residues pruned to eliminate duplicates Z: 13 25.841 2.271 0.666 0.873 1.000 0.833 CA 1.436 13 residues pruned to eliminate duplicates Z: 45 38.506 2.261 0.923 0.444 0.909 0.386 CB 1.556 45 residues pruned to eliminate duplicates Z: 14 29.600 2.252 0.700 0.920 1.000 0.692 CB 1.511 14 residues pruned to eliminate duplicates Z: 19 28.634 2.038 0.912 0.862 0.833 0.556 CB 1.525 19 residues pruned to eliminate duplicates Z: 31 53.591 2.262 0.981 0.938 0.967 0.500 CB 1.571 31 residues pruned to eliminate duplicates Z: 17 26.595 2.110 0.598 0.893 0.875 0.688 CB 1.617 17 residues pruned to eliminate duplicates Z: 25 23.371 2.072 0.673 0.620 0.833 0.625 CA 1.474 25 residues pruned to eliminate duplicates Z: 90 51.058 2.193 0.652 0.564 0.888 0.573 CB 1.581 90 residues pruned to eliminate duplicates Z: 20 32.669 2.264 0.573 0.884 0.947 0.737 CB 1.605 20 residues pruned to eliminate duplicates Z: 14 24.285 2.019 0.703 0.857 0.923 0.615 CA 1.565 14 residues pruned to eliminate duplicates Z: 29 58.289 2.214 1.042 0.936 1.000 0.786 CA 1.697 30 residues pruned to eliminate duplicates Z: 30 44.418 2.116 0.806 0.919 0.966 0.897 CA 1.576 30 residues pruned to eliminate duplicates Z: 16 16.168 1.949 0.229 0.800 0.867 0.667 CB 1.546 Z: 41 22.610 2.157 0.681 0.466 0.850 0.525 CB 1.201 10 residues pruned to eliminate duplicates Z: 26 37.124 2.045 0.708 0.916 0.960 0.600 CB 1.564 25 residues pruned to eliminate duplicates Z: 11 19.587 2.234 0.226 0.899 1.000 0.900 CB 1.617 15 residues pruned to eliminate duplicates Z: 15 21.710 1.925 0.515 0.861 1.000 0.786 CA 1.462 15 residues pruned to eliminate duplicates Z: 9 22.026 2.122 0.673 0.923 1.000 1.000 CB 1.542 9 residues pruned to eliminate duplicates Z: 13 18.503 1.957 0.436 0.877 1.000 0.667 CA 1.380 13 residues pruned to eliminate duplicates Z: 7 5.191 1.859 0.714 0.699 1.000 0.833 CB 0.555 Z: 30 41.835 2.236 0.474 0.927 1.000 0.759 CB 1.652 30 residues pruned to eliminate duplicates Z: 6 8.090 2.172 0.305 0.701 0.800 0.800 CB 1.328 6 residues pruned to eliminate duplicates Z: 9 17.446 2.046 0.359 0.790 1.000 0.875 N 1.720 9 residues pruned to eliminate duplicates Z: 27 44.824 2.223 0.878 0.941 1.000 0.962 CA 1.461 27 residues pruned to eliminate duplicates Z: 81 51.140 2.253 0.680 0.538 0.925 0.588 CB 1.573 81 residues pruned to eliminate duplicates Z: 9 15.900 1.931 0.822 0.570 1.000 0.500 CA 1.494 9 residues pruned to eliminate duplicates Z: 12 17.835 2.182 0.286 0.835 1.000 0.818 CB 1.436 12 residues pruned to eliminate duplicates Z: 24 30.325 2.034 0.392 0.875 0.957 0.739 CB 1.698 24 residues pruned to eliminate duplicates Z: 22 19.185 1.830 0.738 0.730 0.810 0.571 CB 1.322 21 residues pruned to eliminate duplicates Z: 14 28.089 2.247 0.468 0.928 1.000 0.846 CB 1.654 14 residues pruned to eliminate duplicates Z: 10 19.286 1.929 0.713 0.801 1.000 0.444 CB 1.496 10 residues pruned to eliminate duplicates Z: 10 16.064 1.874 0.407 0.908 1.000 0.556 CB 1.442 Z: 30 41.475 2.123 0.771 0.915 1.000 0.897 CA 1.448 30 residues pruned to eliminate duplicates Z: 31 52.710 2.157 1.064 0.918 0.967 0.500 CB 1.577 30 residues pruned to eliminate duplicates Z: 12 22.858 2.316 0.574 0.860 0.909 0.727 CA 1.529 12 residues pruned to eliminate duplicates Z: 30 31.510 1.975 0.461 0.900 0.897 0.690 CA 1.615 30 residues pruned to eliminate duplicates Z: 15 23.761 1.914 0.626 0.854 1.000 0.786 CA 1.508 15 residues pruned to eliminate duplicates Z: 21 28.520 2.065 0.808 0.922 0.900 0.750 CB 1.335 Z: 15 16.659 1.848 0.679 0.706 0.857 0.429 CB 1.388 15 residues pruned to eliminate duplicates Z: 10 14.531 2.112 0.271 0.844 1.000 1.000 CB 1.343 9 residues pruned to eliminate duplicates Z: 15 32.483 2.205 0.935 0.901 0.857 0.643 CA 1.694 15 residues pruned to eliminate duplicates Z: 6 10.526 1.983 0.303 0.802 1.000 0.800 CA 1.399 6 residues pruned to eliminate duplicates Z: 12 16.607 2.171 0.280 0.882 1.000 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 23 31.309 1.999 0.702 0.930 0.909 0.682 CA 1.510 23 residues pruned to eliminate duplicates Z: 29 53.698 2.183 0.932 0.953 1.000 0.571 CA 1.656 29 residues pruned to eliminate duplicates Z: 29 35.596 1.922 0.762 0.903 1.000 0.821 CB 1.417 29 residues pruned to eliminate duplicates Z: 8 20.285 2.045 0.994 0.873 1.000 1.000 CB 1.370 7 residues pruned to eliminate duplicates Z: 53 44.538 2.307 0.667 0.532 0.942 0.654 CB 1.651 53 residues pruned to eliminate duplicates Z: 23 44.754 2.225 0.928 0.902 0.955 0.818 CA 1.662 23 residues pruned to eliminate duplicates Z: 6 5.797 1.947 0.296 0.668 0.800 0.600 CB 1.099 6 residues pruned to eliminate duplicates Z: 7 8.732 1.854 0.542 0.882 1.000 1.000 CB 0.902 7 residues pruned to eliminate duplicates Z: 14 36.447 2.138 1.317 0.911 1.000 0.692 CB 1.447 13 residues pruned to eliminate duplicates Z: 28 33.498 1.937 0.595 0.912 1.000 0.852 CA 1.478 28 residues pruned to eliminate duplicates Z: 15 21.455 1.908 0.561 0.868 0.929 0.643 CB 1.516 15 residues pruned to eliminate duplicates Z: 29 31.130 1.882 0.707 0.887 0.964 0.821 CB 1.369 29 residues pruned to eliminate duplicates Z: 19 40.656 2.287 0.774 0.901 0.944 0.722 CA 1.785 19 residues pruned to eliminate duplicates Z: 35 19.899 1.901 0.417 0.604 0.912 0.706 CB 1.258 35 residues pruned to eliminate duplicates Z: 14 20.414 2.058 0.490 0.851 0.846 0.615 CB 1.615 14 residues pruned to eliminate duplicates Z: 23 12.834 2.022 0.199 0.572 0.864 0.500 CB 1.219 16 residues pruned to eliminate duplicates Z: 8 15.422 2.053 1.052 0.753 0.857 0.857 CA 1.288 8 residues pruned to eliminate duplicates Z: 11 18.347 2.105 0.352 0.822 0.900 0.600 CB 1.713 11 residues pruned to eliminate duplicates Z: 23 10.903 1.850 0.291 0.442 0.864 0.500 CB 1.197 23 residues pruned to eliminate duplicates Z: 9 22.602 2.237 0.791 0.792 0.875 0.750 CA 1.764 9 residues pruned to eliminate duplicates Z: 8 20.166 1.933 0.827 0.855 1.000 0.571 CB 1.593 7 residues pruned to eliminate duplicates Z: 17 20.395 1.891 0.320 0.867 1.000 0.938 CA 1.494 16 residues pruned to eliminate duplicates Z: 30 52.511 2.281 0.811 0.927 1.000 0.690 CB 1.654 30 residues pruned to eliminate duplicates Z: 68 30.907 1.982 0.469 0.569 0.925 0.672 CB 1.310 68 residues pruned to eliminate duplicates Z: 9 13.159 1.992 0.336 0.758 1.000 0.625 CB 1.391 9 residues pruned to eliminate duplicates Z: 16 24.108 2.029 0.292 0.930 1.000 0.800 CA 1.660 16 residues pruned to eliminate duplicates Z: 26 31.456 1.938 0.656 0.906 1.000 0.880 CA 1.394 26 residues pruned to eliminate duplicates Z: 20 21.232 2.009 0.450 0.846 0.895 0.632 CB 1.389 7 residues pruned to eliminate duplicates Z: 10 13.126 1.929 0.161 0.828 1.000 0.778 CB 1.470 10 residues pruned to eliminate duplicates Z: 14 34.460 2.278 0.717 0.928 0.923 0.692 CB 1.854 14 residues pruned to eliminate duplicates Z: 31 41.238 2.263 0.484 0.929 1.000 0.900 CA 1.569 31 residues pruned to eliminate duplicates Z: 9 14.637 1.851 1.149 0.807 0.750 0.500 CB 1.327 9 residues pruned to eliminate duplicates Z: 13 18.145 2.034 0.613 0.876 0.917 0.917 CB 1.265 13 residues pruned to eliminate duplicates Z: 30 51.414 2.290 0.972 0.927 0.931 0.517 CB 1.592 30 residues pruned to eliminate duplicates Z: 14 12.880 1.728 0.230 0.837 1.000 0.769 CB 1.257 Z: 19 29.395 2.048 0.621 0.919 0.944 0.778 CB 1.558 19 residues pruned to eliminate duplicates Z: 13 33.992 2.179 1.234 0.896 1.000 0.667 CA 1.445 13 residues pruned to eliminate duplicates Z: 16 24.679 1.970 0.837 0.866 1.000 0.733 CB 1.288 17 residues pruned to eliminate duplicates Z: 23 33.961 2.031 0.850 0.916 0.955 0.727 CB 1.426 21 residues pruned to eliminate duplicates Z: 24 31.957 2.123 0.822 0.906 0.826 0.478 CB 1.483 24 residues pruned to eliminate duplicates Z: 15 29.906 2.218 0.466 0.928 1.000 0.929 CA 1.722 16 residues pruned to eliminate duplicates Z: 10 13.303 1.938 0.235 0.828 0.889 0.667 CB 1.569 10 residues pruned to eliminate duplicates Z: 12 12.800 1.990 0.176 0.646 0.909 0.636 CB 1.583 Z: 28 42.838 2.230 0.607 0.944 1.000 0.963 CA 1.593 28 residues pruned to eliminate duplicates Z: 16 19.240 1.920 0.194 0.861 1.000 0.800 CA 1.593 16 residues pruned to eliminate duplicates Z: 16 18.599 1.948 0.139 0.916 0.933 0.867 CA 1.638 16 residues pruned to eliminate duplicates Z: 11 26.671 2.121 0.670 0.862 1.000 0.900 CA 1.749 11 residues pruned to eliminate duplicates Z: 7 8.509 2.025 0.508 0.700 0.833 0.500 CB 1.138 7 residues pruned to eliminate duplicates Z: 12 26.757 1.981 0.909 0.937 1.000 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 15 20.311 1.939 0.622 0.851 0.929 0.857 CB 1.376 14 residues pruned to eliminate duplicates Z: 58 25.901 1.968 0.517 0.511 0.895 0.649 CB 1.270 58 residues pruned to eliminate duplicates Z: 17 24.273 2.015 1.011 0.910 0.875 0.312 CB 1.213 17 residues pruned to eliminate duplicates Z: 16 17.946 2.103 0.047 0.899 1.000 0.933 CA 1.504 16 residues pruned to eliminate duplicates Z: 11 12.897 1.848 0.310 0.744 1.000 0.500 CB 1.354 11 residues pruned to eliminate duplicates Z: 14 26.911 2.093 0.509 0.891 1.000 0.846 CA 1.699 14 residues pruned to eliminate duplicates Z: 28 46.678 2.204 0.842 0.951 1.000 0.889 CA 1.525 28 residues pruned to eliminate duplicates Z: 30 31.028 1.948 0.373 0.869 1.000 0.759 CA 1.573 30 residues pruned to eliminate duplicates Z: 19 27.215 2.011 0.615 0.929 0.944 0.778 CB 1.463 19 residues pruned to eliminate duplicates Z: 15 20.012 1.958 0.494 0.908 0.929 0.929 CB 1.398 Z: 30 44.490 2.268 0.818 0.918 0.931 0.483 CB 1.518 30 residues pruned to eliminate duplicates Z: 29 33.252 2.043 0.702 0.897 0.893 0.679 CA 1.449 29 residues pruned to eliminate duplicates Z: 31 45.168 2.096 1.028 0.884 0.933 0.633 CA 1.501 31 residues pruned to eliminate duplicates Z: 29 53.828 2.210 0.980 0.934 1.000 0.714 CA 1.621 29 residues pruned to eliminate duplicates Z: 9 8.593 1.920 0.002 0.867 0.875 0.750 CA 1.321 Z: 33 19.146 2.088 0.539 0.432 0.844 0.656 CB 1.339 33 residues pruned to eliminate duplicates Z: 16 29.246 2.144 0.768 0.857 0.933 0.800 CA 1.573 16 residues pruned to eliminate duplicates Z: 14 30.627 2.243 0.601 0.915 0.923 0.769 CA 1.811 14 residues pruned to eliminate duplicates Z: 13 22.538 1.932 0.636 0.916 1.000 0.833 N 1.454 Z: 17 19.288 1.935 0.797 0.822 0.688 0.562 CA 1.526 17 residues pruned to eliminate duplicates Z: 15 25.119 1.916 0.796 0.922 1.000 0.714 CB 1.373 15 residues pruned to eliminate duplicates Z: 19 22.566 2.054 0.468 0.886 0.944 0.722 CB 1.347 19 residues pruned to eliminate duplicates Z: 17 12.837 1.789 0.496 0.714 0.812 0.438 CB 1.216 10 residues pruned to eliminate duplicates Z: 15 17.362 1.880 0.467 0.894 0.929 0.714 CB 1.300 Z: 17 27.116 2.124 0.529 0.869 1.000 0.750 CA 1.524 18 residues pruned to eliminate duplicates Z: 11 26.142 2.160 0.938 0.897 0.900 0.700 CB 1.571 12 residues pruned to eliminate duplicates Z: 11 20.627 2.135 0.667 0.832 0.900 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 7 12.088 2.020 0.403 0.770 1.000 0.833 CA 1.371 Z: 11 9.679 1.950 -0.076 0.888 1.000 1.000 CB 1.223 11 residues pruned to eliminate duplicates Z: 14 17.707 1.852 0.610 0.907 1.000 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 34 30.236 2.259 0.755 0.548 0.909 0.697 CB 1.393 37 residues pruned to eliminate duplicates Z: 31 55.994 2.236 1.045 0.942 1.000 0.433 CB 1.551 31 residues pruned to eliminate duplicates Z: 15 21.430 1.990 0.436 0.885 1.000 0.786 CA 1.448 14 residues pruned to eliminate duplicates Z: 14 19.990 2.136 0.558 0.896 0.923 0.923 CB 1.293 14 residues pruned to eliminate duplicates Z: 26 37.954 1.972 0.975 0.929 0.960 0.680 CB 1.420 26 residues pruned to eliminate duplicates Z: 15 15.753 1.919 0.143 0.847 1.000 0.571 CA 1.425 15 residues pruned to eliminate duplicates Z: 17 24.108 1.963 0.744 0.920 0.938 0.562 CB 1.323 15 residues pruned to eliminate duplicates Z: 13 23.825 2.191 0.462 0.896 1.000 0.833 CA 1.538 13 residues pruned to eliminate duplicates Z: 8 4.313 1.698 0.010 0.704 0.857 0.857 CB 0.921 8 residues pruned to eliminate duplicates Z: 23 47.637 2.272 1.020 0.899 0.909 0.773 CA 1.740 23 residues pruned to eliminate duplicates Z: 25 26.787 1.980 0.512 0.856 0.875 0.667 CB 1.539 25 residues pruned to eliminate duplicates Z: 77 46.985 2.173 0.645 0.546 0.908 0.618 CB 1.588 77 residues pruned to eliminate duplicates Z: 27 18.251 2.026 0.525 0.518 0.808 0.500 CB 1.409 9 residues pruned to eliminate duplicates Z: 7 11.151 1.693 0.886 0.876 1.000 1.000 CB 1.036 7 residues pruned to eliminate duplicates Z: 85 60.763 2.268 0.715 0.665 0.952 0.702 CB 1.536 87 residues pruned to eliminate duplicates Z: 13 16.054 1.907 0.575 0.772 0.833 0.500 CA 1.456 12 residues pruned to eliminate duplicates Z: 17 19.146 1.838 0.478 0.864 0.938 0.688 CB 1.378 17 residues pruned to eliminate duplicates Z: 8 13.626 1.923 0.260 0.871 1.000 0.857 CB 1.551 8 residues pruned to eliminate duplicates Z: 27 22.646 1.807 0.453 0.845 0.923 0.654 CB 1.361 Z: 16 18.283 1.908 0.184 0.908 1.000 0.867 CA 1.484 16 residues pruned to eliminate duplicates Z: 24 38.999 2.061 0.788 0.900 1.000 0.522 CB 1.576 24 residues pruned to eliminate duplicates Z: 30 42.614 2.273 0.681 0.903 0.897 0.897 CB 1.647 30 residues pruned to eliminate duplicates Z: 19 40.902 2.292 0.806 0.911 0.944 0.611 CB 1.748 19 residues pruned to eliminate duplicates Z: 20 25.195 2.063 0.577 0.889 0.947 0.789 CA 1.350 20 residues pruned to eliminate duplicates Z: 30 58.684 2.320 0.993 0.943 1.000 0.621 CB 1.633 30 residues pruned to eliminate duplicates Z: 24 29.184 1.972 0.577 0.883 0.957 0.696 CB 1.479 27 residues pruned to eliminate duplicates Z: 7 10.265 2.067 -0.024 0.757 1.000 0.833 CB 1.652 5 residues pruned to eliminate duplicates Z: 6 7.005 1.865 -0.051 0.668 1.000 0.800 CB 1.515 Z: 25 39.736 2.200 0.907 0.907 0.917 0.792 CB 1.500 25 residues pruned to eliminate duplicates Z: 31 49.445 2.251 0.735 0.927 1.000 0.733 CB 1.620 31 residues pruned to eliminate duplicates Z: 18 25.167 1.988 0.699 0.795 0.941 0.706 CA 1.483 18 residues pruned to eliminate duplicates Z: 8 15.822 2.131 0.257 0.820 1.000 0.714 N 1.692 8 residues pruned to eliminate duplicates Z: 30 34.543 1.966 0.699 0.878 0.931 0.483 CB 1.497 30 residues pruned to eliminate duplicates Z: 22 34.446 2.079 0.617 0.901 1.000 0.905 CB 1.596 22 residues pruned to eliminate duplicates Z: 18 19.661 1.800 0.616 0.855 0.941 0.765 CB 1.285 17 residues pruned to eliminate duplicates Z: 15 30.554 2.156 0.774 0.873 0.929 0.714 CA 1.674 15 residues pruned to eliminate duplicates Z: 17 10.887 1.971 0.446 0.392 0.812 0.500 CB 1.318 17 residues pruned to eliminate duplicates Z: 7 10.335 2.222 0.402 0.510 0.833 0.500 CB 1.608 7 residues pruned to eliminate duplicates Z: 25 15.718 1.959 0.504 0.417 0.792 0.542 CB 1.500 10 residues pruned to eliminate duplicates Z: 14 25.019 1.934 0.581 0.928 1.000 1.000 CA 1.589 13 residues pruned to eliminate duplicates Z: 7 9.442 2.203 -0.105 0.871 0.833 0.500 CB 1.710 7 residues pruned to eliminate duplicates Z: 13 8.439 1.855 0.260 0.416 0.833 0.333 CB 1.365 13 residues pruned to eliminate duplicates Z: 7 23.120 2.186 1.161 0.888 0.833 0.833 CA 1.728 7 residues pruned to eliminate duplicates Z: 9 14.785 2.042 0.283 0.835 1.000 1.000 CB 1.494 Z: 27 25.210 2.185 0.657 0.604 0.962 0.769 CB 1.286 34 residues pruned to eliminate duplicates Z: 56 52.837 2.205 0.908 0.651 0.945 0.691 CA 1.556 55 residues pruned to eliminate duplicates Z: 15 19.369 1.872 0.288 0.886 1.000 0.929 CA 1.550 15 residues pruned to eliminate duplicates Z: 22 21.939 2.184 0.750 0.472 0.952 0.524 CB 1.352 22 residues pruned to eliminate duplicates Z: 30 33.348 1.982 0.401 0.910 1.000 0.759 CA 1.582 27 residues pruned to eliminate duplicates Z: 14 21.818 1.884 0.633 0.853 0.923 0.769 CA 1.575 14 residues pruned to eliminate duplicates Z: 16 22.556 2.010 0.741 0.777 0.933 0.533 CB 1.397 16 residues pruned to eliminate duplicates Z: 17 19.793 1.841 0.429 0.794 1.000 0.750 CA 1.453 17 residues pruned to eliminate duplicates Z: 12 26.497 1.918 1.004 0.916 1.000 0.636 CA 1.469 Z: 13 23.069 2.196 0.393 0.917 1.000 0.917 CA 1.537 13 residues pruned to eliminate duplicates Z: 15 27.911 2.083 0.687 0.901 1.000 0.786 CB 1.515 15 residues pruned to eliminate duplicates Z: 12 7.040 1.844 0.063 0.518 0.818 0.818 CB 1.299 13 residues pruned to eliminate duplicates Z: 24 26.124 1.907 0.475 0.916 1.000 0.913 CA 1.368 24 residues pruned to eliminate duplicates Z: 35 26.691 2.160 0.671 0.535 0.912 0.676 CB 1.343 35 residues pruned to eliminate duplicates Z: 8 8.491 1.920 0.340 0.862 0.857 0.571 CA 1.068 8 residues pruned to eliminate duplicates Z: 13 38.355 2.225 1.197 0.925 1.000 0.750 CB 1.589 13 residues pruned to eliminate duplicates Z: 13 33.264 2.163 1.013 0.920 0.917 0.500 CB 1.694 13 residues pruned to eliminate duplicates Z: 13 18.287 1.893 0.218 0.935 1.000 1.000 N 1.596 13 residues pruned to eliminate duplicates Z: 26 38.646 2.041 0.587 0.935 1.000 0.880 CB 1.663 26 residues pruned to eliminate duplicates Z: 14 28.605 2.218 0.586 0.889 0.923 0.923 CB 1.759 14 residues pruned to eliminate duplicates Z: 18 22.425 1.913 0.689 0.712 0.941 0.471 CB 1.476 18 residues pruned to eliminate duplicates Z: 13 19.018 1.966 0.335 0.848 1.000 0.750 CB 1.551 13 residues pruned to eliminate duplicates Z: 7 16.339 1.880 0.639 0.818 1.000 1.000 CB 1.642 7 residues pruned to eliminate duplicates Z: 12 18.245 1.938 0.494 0.897 1.000 0.909 CB 1.360 12 residues pruned to eliminate duplicates Z: 41 23.451 2.081 0.726 0.477 0.800 0.450 CB 1.321 41 residues pruned to eliminate duplicates Z: 12 22.137 2.017 0.641 0.903 1.000 0.727 CB 1.437 12 residues pruned to eliminate duplicates Z: 13 7.548 1.565 0.382 0.825 0.750 0.583 CB 1.014 Z: 26 31.486 2.001 0.723 0.874 0.920 0.800 CB 1.445 26 residues pruned to eliminate duplicates Z: 29 26.330 2.168 0.496 0.524 0.929 0.643 CB 1.612 10 residues pruned to eliminate duplicates Z: 30 44.925 2.246 0.595 0.944 1.000 0.793 CA 1.613 30 residues pruned to eliminate duplicates Z: 21 25.729 1.958 0.722 0.901 0.900 0.600 CB 1.353 21 residues pruned to eliminate duplicates Z: 6 6.837 1.688 0.717 0.860 1.000 1.000 CA 0.776 6 residues pruned to eliminate duplicates Z: 14 24.364 1.934 0.644 0.912 0.923 0.769 CA 1.630 14 residues pruned to eliminate duplicates Z: 12 26.437 2.380 0.393 0.917 1.000 1.000 CA 1.696 12 residues pruned to eliminate duplicates Z: 23 15.859 2.010 0.515 0.402 0.909 0.591 CB 1.355 23 residues pruned to eliminate duplicates Z: 10 19.640 2.332 0.276 0.881 1.000 0.778 CB 1.593 10 residues pruned to eliminate duplicates Z: 16 19.247 1.957 0.370 0.906 0.933 0.800 CB 1.413 16 residues pruned to eliminate duplicates Z: 8 15.694 1.997 0.741 0.891 1.000 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 15 20.395 2.019 0.271 0.911 1.000 0.857 CB 1.505 Z: 25 26.944 1.885 0.550 0.869 0.958 0.583 CB 1.435 25 residues pruned to eliminate duplicates Z: 30 33.231 1.928 0.740 0.901 0.966 0.690 CB 1.360 30 residues pruned to eliminate duplicates Z: 40 45.636 2.265 0.807 0.747 0.923 0.718 CA 1.552 40 residues pruned to eliminate duplicates Z: 12 16.096 2.021 0.265 0.869 0.909 0.636 CB 1.525 12 residues pruned to eliminate duplicates Z: 15 18.154 1.950 0.502 0.838 0.857 0.643 CB 1.445 16 residues pruned to eliminate duplicates Z: 11 21.924 2.155 0.748 0.829 1.000 0.700 CB 1.385 11 residues pruned to eliminate duplicates Z: 29 21.755 2.143 0.752 0.421 0.893 0.500 CB 1.331 29 residues pruned to eliminate duplicates Z: 16 21.843 1.894 0.411 0.917 0.933 0.867 CA 1.596 16 residues pruned to eliminate duplicates Z: 14 24.690 1.980 0.532 0.931 1.000 1.000 CB 1.578 14 residues pruned to eliminate duplicates Z: 29 26.900 2.040 0.768 0.657 0.964 0.679 CB 1.263 29 residues pruned to eliminate duplicates Z: 10 15.831 1.811 0.535 0.841 0.889 0.889 O 1.593 10 residues pruned to eliminate duplicates Z: 6 8.956 1.921 0.203 0.746 1.000 0.800 N 1.391 Z: 11 24.710 2.222 0.654 0.872 1.000 0.800 CA 1.550 11 residues pruned to eliminate duplicates Z: 21 12.033 1.916 0.709 0.418 0.800 0.500 CB 1.119 21 residues pruned to eliminate duplicates Z: 29 54.047 2.168 1.006 0.942 1.000 0.714 CA 1.629 29 residues pruned to eliminate duplicates Z: 8 16.169 2.147 0.835 0.787 0.857 0.714 CB 1.406 8 residues pruned to eliminate duplicates Z: 9 21.047 2.011 0.777 0.893 1.000 0.750 CB 1.495 9 residues pruned to eliminate duplicates Z: 25 24.336 1.939 0.333 0.873 0.958 0.958 CB 1.461 25 residues pruned to eliminate duplicates Z: 8 7.238 2.067 0.151 0.617 1.000 0.857 CB 1.029 Z: 24 29.645 2.025 0.503 0.914 0.957 0.696 CA 1.501 24 residues pruned to eliminate duplicates Z: 7 8.732 1.943 0.265 0.861 1.000 1.000 CB 1.066 7 residues pruned to eliminate duplicates Z: 24 11.701 1.883 0.302 0.346 0.913 0.522 CB 1.289 24 residues pruned to eliminate duplicates Z: 19 21.228 1.938 0.418 0.887 0.944 0.556 CB 1.390 19 residues pruned to eliminate duplicates Z: 30 48.368 2.265 0.663 0.942 0.966 0.897 CB 1.713 30 residues pruned to eliminate duplicates Z: 14 15.636 1.866 0.476 0.862 0.846 0.615 CB 1.366 14 residues pruned to eliminate duplicates Z: 47 41.448 2.065 0.663 0.742 0.935 0.783 CB 1.533 47 residues pruned to eliminate duplicates Z: 10 16.191 1.851 0.550 0.830 1.000 0.778 CB 1.414 Z: 23 16.526 2.006 0.749 0.673 0.773 0.273 CB 1.108 12 residues pruned to eliminate duplicates Z: 25 26.913 1.913 0.668 0.831 0.875 0.583 CB 1.477 25 residues pruned to eliminate duplicates Z: 22 16.571 1.765 0.537 0.790 0.952 0.714 CB 1.084 22 residues pruned to eliminate duplicates Z: 9 8.004 1.962 0.034 0.876 1.000 0.750 CB 1.014 9 residues pruned to eliminate duplicates Z: 7 21.187 2.239 0.729 0.864 1.000 0.667 CB 1.638 7 residues pruned to eliminate duplicates Z: 12 13.061 1.828 0.680 0.814 0.909 0.727 CB 1.073 12 residues pruned to eliminate duplicates Z: 31 49.372 2.118 0.841 0.937 1.000 0.767 CA 1.608 31 residues pruned to eliminate duplicates Z: 13 26.822 2.273 0.516 0.905 1.000 0.917 CA 1.599 13 residues pruned to eliminate duplicates Z: 13 36.217 2.303 0.966 0.915 1.000 0.750 CA 1.632 13 residues pruned to eliminate duplicates Z: 11 24.992 1.910 0.846 0.912 1.000 0.800 CB 1.588 11 residues pruned to eliminate duplicates Z: 30 36.998 2.080 0.980 0.918 0.862 0.414 CB 1.365 30 residues pruned to eliminate duplicates Z: 15 25.066 1.902 0.702 0.878 0.929 0.714 CA 1.617 14 residues pruned to eliminate duplicates Z: 17 18.757 1.961 0.340 0.851 0.938 0.750 CB 1.408 17 residues pruned to eliminate duplicates Z: 17 18.652 1.836 0.396 0.880 1.000 0.938 CB 1.318 17 residues pruned to eliminate duplicates Z: 33 22.362 2.022 0.714 0.498 0.812 0.375 CB 1.407 45 residues pruned to eliminate duplicates Z: 6 7.099 1.847 0.454 0.476 0.800 0.600 O 1.514 6 residues pruned to eliminate duplicates Z: 24 26.087 1.935 0.551 0.853 0.913 0.565 CB 1.467 24 residues pruned to eliminate duplicates Z: 15 22.159 1.958 0.594 0.897 1.000 0.929 CB 1.359 15 residues pruned to eliminate duplicates 6 1.826 1.743 0.247 0.289 0.600 0.400 CB 0.793 ? Z: 11 21.923 2.142 0.551 0.812 0.900 0.600 CB 1.767 11 residues pruned to eliminate duplicates Z: 13 18.888 1.956 0.487 0.889 1.000 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 11 14.053 2.017 0.181 0.913 1.000 0.900 CB 1.320 11 residues pruned to eliminate duplicates Z: 74 46.481 2.200 0.638 0.664 0.890 0.753 CB 1.456 74 residues pruned to eliminate duplicates Z: 31 41.531 2.056 0.734 0.930 0.967 0.733 CA 1.538 31 residues pruned to eliminate duplicates Z: 16 15.250 1.777 0.531 0.871 0.933 0.733 CB 1.131 16 residues pruned to eliminate duplicates Z: 15 21.703 1.901 0.753 0.814 1.000 0.500 CB 1.324 15 residues pruned to eliminate duplicates Z: 10 10.157 1.647 0.446 0.682 1.000 0.556 CA 1.202 10 residues pruned to eliminate duplicates Z: 13 20.778 2.001 0.529 0.859 0.917 0.833 CB 1.574 13 residues pruned to eliminate duplicates Z: 16 30.042 2.099 0.766 0.893 1.000 0.600 CB 1.502 16 residues pruned to eliminate duplicates Z: 7 3.281 1.555 0.773 0.248 0.667 0.333 CB 0.974 Z: 14 16.017 1.802 0.172 0.891 1.000 1.000 CB 1.512 14 residues pruned to eliminate duplicates Z: 14 14.456 1.718 0.258 0.882 1.000 0.692 CB 1.342 Z: 10 9.663 1.751 0.171 0.865 0.889 0.778 CB 1.295 10 residues pruned to eliminate duplicates Z: 13 17.340 1.948 0.195 0.880 1.000 0.917 CA 1.559 13 residues pruned to eliminate duplicates Z: 8 12.670 1.854 0.560 0.768 0.857 0.714 CB 1.524 8 residues pruned to eliminate duplicates Z: 14 33.075 2.154 0.965 0.907 0.923 0.846 CB 1.669 14 residues pruned to eliminate duplicates Z: 9 22.574 2.054 0.709 0.872 1.000 0.875 CA 1.657 9 residues pruned to eliminate duplicates Z: 22 27.833 1.988 0.501 0.890 1.000 0.762 CB 1.464 22 residues pruned to eliminate duplicates Z: 8 10.982 1.897 0.495 0.697 1.000 0.857 CA 1.223 7 residues pruned to eliminate duplicates Z: 25 30.093 1.936 0.552 0.906 0.958 0.792 CA 1.518 25 residues pruned to eliminate duplicates Z: 16 23.140 1.967 0.331 0.922 1.000 0.800 CA 1.604 16 residues pruned to eliminate duplicates Z: 8 18.277 2.116 0.479 0.861 1.000 0.857 CB 1.621 8 residues pruned to eliminate duplicates Z: 21 31.210 2.086 0.683 0.897 0.950 0.850 CB 1.498 22 residues pruned to eliminate duplicates Z: 24 21.765 2.029 0.554 0.628 0.913 0.652 CB 1.398 22 residues pruned to eliminate duplicates Z: 15 16.433 1.692 0.330 0.893 1.000 0.571 CB 1.401 14 residues pruned to eliminate duplicates Z: 16 26.501 1.884 0.920 0.880 1.000 0.533 CB 1.371 16 residues pruned to eliminate duplicates Z: 33 20.802 2.037 0.555 0.490 0.875 0.562 CB 1.340 33 residues pruned to eliminate duplicates Z: 14 37.412 2.281 0.884 0.910 0.923 0.846 CB 1.855 14 residues pruned to eliminate duplicates Z: 16 20.002 1.965 0.262 0.910 0.933 0.733 CA 1.582 16 residues pruned to eliminate duplicates Z: 30 35.769 1.980 0.696 0.880 0.897 0.414 CB 1.599 30 residues pruned to eliminate duplicates Z: 7 2.343 1.557 0.793 0.235 0.833 0.500 CB 0.559 Z: 23 22.124 1.948 0.149 0.948 1.000 0.909 CA 1.455 23 residues pruned to eliminate duplicates Z: 22 23.605 1.967 0.728 0.922 0.857 0.524 CB 1.243 22 residues pruned to eliminate duplicates Z: 40 20.692 2.070 0.494 0.490 0.897 0.667 CB 1.206 40 residues pruned to eliminate duplicates Z: 17 20.483 1.885 0.453 0.913 0.938 0.875 CB 1.412 17 residues pruned to eliminate duplicates Z: 13 31.371 2.210 0.954 0.898 1.000 0.833 CA 1.500 13 residues pruned to eliminate duplicates Z: 13 22.859 1.868 0.787 0.913 1.000 0.667 CB 1.399 12 residues pruned to eliminate duplicates Z: 8 7.427 2.259 0.033 0.784 0.571 0.571 CA 1.640 8 residues pruned to eliminate duplicates Z: 14 35.004 2.194 1.137 0.905 1.000 0.769 CA 1.473 14 residues pruned to eliminate duplicates Z: 11 5.703 1.822 0.313 0.451 0.600 0.500 CB 1.322 11 residues pruned to eliminate duplicates Z: 13 11.055 1.585 0.367 0.871 0.917 0.667 CB 1.172 12 residues pruned to eliminate duplicates Z: 16 7.796 1.745 0.439 0.401 0.667 0.600 CB 1.335 Z: 12 18.382 1.998 0.503 0.850 1.000 0.727 CB 1.367 12 residues pruned to eliminate duplicates Z: 28 29.952 1.913 0.548 0.886 0.889 0.704 CA 1.580 28 residues pruned to eliminate duplicates Z: 6 3.918 1.664 -0.276 0.860 1.000 1.000 CB 1.070 6 residues pruned to eliminate duplicates Z: 13 18.067 1.942 0.559 0.791 0.917 0.417 CB 1.456 13 residues pruned to eliminate duplicates Z: 16 28.212 2.156 0.561 0.853 1.000 0.800 CA 1.600 16 residues pruned to eliminate duplicates Z: 10 16.344 1.972 0.787 0.809 0.778 0.778 CB 1.519 10 residues pruned to eliminate duplicates Z: 7 12.640 2.048 0.525 0.843 1.000 0.667 CA 1.230 7 residues pruned to eliminate duplicates Z: 29 35.058 1.999 0.484 0.909 1.000 0.857 CA 1.585 29 residues pruned to eliminate duplicates Z: 29 25.284 1.969 0.607 0.664 0.929 0.714 CB 1.397 29 residues pruned to eliminate duplicates Z: 27 33.461 1.991 0.895 0.911 0.885 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 26 17.039 1.976 0.666 0.546 0.720 0.400 CB 1.374 15 residues pruned to eliminate duplicates Z: 9 18.924 1.958 0.541 0.891 1.000 0.750 CB 1.593 12 residues pruned to eliminate duplicates Z: 25 27.570 2.074 0.631 0.654 1.000 0.667 CB 1.441 22 residues pruned to eliminate duplicates Z: 31 57.746 2.275 1.036 0.934 1.000 0.433 CB 1.587 31 residues pruned to eliminate duplicates Z: 14 6.462 1.689 0.305 0.500 0.923 0.615 CB 0.881 14 residues pruned to eliminate duplicates Z: 30 44.584 2.127 0.804 0.942 1.000 0.724 CA 1.497 30 residues pruned to eliminate duplicates Z: 15 22.306 2.185 0.423 0.836 0.857 0.857 CA 1.675 15 residues pruned to eliminate duplicates Z: 7 12.834 1.954 0.628 0.800 1.000 0.833 CA 1.267 Z: 12 14.796 1.782 0.313 0.875 1.000 0.909 CB 1.386 12 residues pruned to eliminate duplicates Z: 16 33.910 2.116 0.835 0.902 1.000 0.733 CA 1.608 16 residues pruned to eliminate duplicates Z: 9 19.867 1.943 0.641 0.896 1.000 0.625 CB 1.579 9 residues pruned to eliminate duplicates Z: 16 28.384 2.073 0.694 0.884 1.000 0.667 CA 1.508 16 residues pruned to eliminate duplicates Z: 7 9.776 1.966 0.192 0.727 1.000 0.833 CB 1.389 7 residues pruned to eliminate duplicates Z: 12 17.527 1.890 0.778 0.886 0.909 0.727 CB 1.248 12 residues pruned to eliminate duplicates Z: 18 25.942 1.993 0.521 0.916 0.941 0.941 CB 1.557 18 residues pruned to eliminate duplicates Z: 40 32.244 2.078 0.813 0.563 0.949 0.615 CB 1.359 31 residues pruned to eliminate duplicates Z: 12 19.233 1.992 0.485 0.855 0.909 0.636 CB 1.592 12 residues pruned to eliminate duplicates Z: 10 18.091 1.775 0.924 0.865 0.889 0.444 CB 1.456 10 residues pruned to eliminate duplicates Z: 8 8.379 2.110 0.778 0.643 0.714 0.429 CB 1.034 8 residues pruned to eliminate duplicates Z: 12 34.169 2.379 0.867 0.895 1.000 0.545 CB 1.662 12 residues pruned to eliminate duplicates Z: 17 29.502 2.111 0.905 0.845 0.875 0.750 CA 1.558 17 residues pruned to eliminate duplicates Z: 22 24.497 2.019 0.263 0.926 1.000 0.952 CB 1.470 22 residues pruned to eliminate duplicates Z: 9 13.148 1.731 0.567 0.866 1.000 1.000 CB 1.254 Z: 7 4.527 1.847 -0.044 0.777 1.000 0.333 CB 0.819 Z: 16 28.409 2.101 0.634 0.857 1.000 0.867 CA 1.574 16 residues pruned to eliminate duplicates Z: 24 14.439 1.846 0.263 0.599 0.957 0.696 CB 1.228 24 residues pruned to eliminate duplicates Z: 26 19.208 2.007 0.563 0.455 0.880 0.520 CB 1.457 26 residues pruned to eliminate duplicates Z: 12 23.321 1.943 0.842 0.883 1.000 0.636 CB 1.421 12 residues pruned to eliminate duplicates Z: 16 23.393 2.001 0.370 0.915 1.000 0.800 CB 1.557 15 residues pruned to eliminate duplicates Z: 13 20.008 2.130 0.551 0.844 0.917 0.750 CA 1.419 13 residues pruned to eliminate duplicates Z: 30 43.717 2.148 0.807 0.931 0.966 0.931 CA 1.514 30 residues pruned to eliminate duplicates Z: 48 25.813 2.043 0.677 0.514 0.872 0.532 CB 1.242 48 residues pruned to eliminate duplicates Z: 47 29.148 2.071 0.824 0.531 0.826 0.457 CB 1.335 47 residues pruned to eliminate duplicates Z: 12 7.332 1.849 0.550 0.445 0.909 0.636 CB 0.898 Z: 15 14.952 1.785 0.546 0.802 0.857 0.857 CB 1.298 15 residues pruned to eliminate duplicates Z: 16 12.755 1.665 0.405 0.813 0.867 0.600 CB 1.237 15 residues pruned to eliminate duplicates Z: 14 10.173 1.556 0.593 0.798 0.923 0.615 CB 0.950 14 residues pruned to eliminate duplicates Z: 16 21.336 1.881 0.663 0.858 0.933 0.733 CB 1.389 17 residues pruned to eliminate duplicates Z: 7 2.708 1.739 -0.044 0.283 0.667 0.333 CB 1.274 7 residues pruned to eliminate duplicates Z: 13 20.225 1.951 0.514 0.860 0.917 0.750 CA 1.586 13 residues pruned to eliminate duplicates Z: 21 14.849 1.757 0.416 0.860 1.000 0.800 CB 0.981 21 residues pruned to eliminate duplicates Z: 24 22.286 1.877 0.192 0.877 1.000 0.913 CB 1.509 24 residues pruned to eliminate duplicates Z: 8 12.627 1.840 0.633 0.811 0.857 0.714 CB 1.414 8 residues pruned to eliminate duplicates Z: 13 28.785 1.943 0.847 0.939 1.000 0.833 N 1.609 13 residues pruned to eliminate duplicates Z: 16 26.826 2.004 0.583 0.924 1.000 0.800 CB 1.533 16 residues pruned to eliminate duplicates Z: 36 36.924 2.012 0.820 0.766 0.943 0.457 CB 1.427 33 residues pruned to eliminate duplicates Z: 23 39.245 2.209 0.780 0.912 0.955 0.909 CA 1.579 23 residues pruned to eliminate duplicates Z: 22 20.396 1.869 0.422 0.847 0.905 0.810 CB 1.374 22 residues pruned to eliminate duplicates Z: 27 32.504 2.000 0.408 0.914 0.962 0.692 CA 1.664 27 residues pruned to eliminate duplicates Z: 9 12.360 1.838 0.600 0.845 0.750 0.750 CB 1.473 9 residues pruned to eliminate duplicates Z: 9 5.574 1.941 0.752 0.531 0.875 0.500 CB 0.643 9 residues pruned to eliminate duplicates Z: 6 5.501 1.682 0.381 0.681 1.000 0.600 CA 0.897 6 residues pruned to eliminate duplicates Z: 14 7.419 1.746 0.371 0.501 1.000 0.692 CB 0.859 Z: 14 35.473 2.281 0.697 0.945 1.000 0.615 CB 1.760 14 residues pruned to eliminate duplicates Z: 16 30.248 2.073 0.890 0.839 0.933 0.600 CB 1.595 16 residues pruned to eliminate duplicates Z: 14 9.601 1.996 0.412 0.383 0.923 0.615 CB 1.159 10 residues pruned to eliminate duplicates Z: 8 2.022 1.851 -0.183 0.414 0.714 0.571 CB 0.774 Z: 9 16.027 2.023 0.453 0.820 0.875 0.875 O 1.669 9 residues pruned to eliminate duplicates Z: 15 29.930 2.209 0.608 0.890 0.929 0.857 CA 1.746 15 residues pruned to eliminate duplicates Z: 12 20.277 1.920 0.634 0.918 1.000 0.545 CB 1.375 12 residues pruned to eliminate duplicates Z: 13 24.389 1.903 1.326 0.918 1.000 0.500 CB 1.122 13 residues pruned to eliminate duplicates Z: 22 17.127 1.749 0.325 0.898 1.000 0.952 CB 1.153 23 residues pruned to eliminate duplicates Z: 7 7.613 1.991 0.418 0.669 0.833 0.667 CB 1.130 7 residues pruned to eliminate duplicates Z: 14 17.044 1.959 0.331 0.838 0.923 0.846 CB 1.468 14 residues pruned to eliminate duplicates Z: 8 8.315 1.691 0.361 0.752 1.000 0.571 CB 1.091 9 residues pruned to eliminate duplicates Z: 15 19.220 2.041 0.861 0.797 0.857 0.571 CB 1.216 15 residues pruned to eliminate duplicates Z: 86 47.136 2.141 0.617 0.532 0.918 0.600 CB 1.559 86 residues pruned to eliminate duplicates Z: 7 5.606 1.593 0.612 0.558 0.833 0.500 CB 1.011 7 residues pruned to eliminate duplicates Z: 8 8.417 1.794 0.030 0.733 1.000 0.857 CB 1.395 8 residues pruned to eliminate duplicates Z: 30 25.813 2.040 0.557 0.611 0.931 0.552 CB 1.458 21 residues pruned to eliminate duplicates Z: 19 14.622 1.665 0.167 0.922 0.944 0.889 O 1.320 Z: 18 11.733 1.962 0.553 0.512 0.824 0.706 CB 1.120 18 residues pruned to eliminate duplicates Z: 46 22.760 2.028 0.526 0.429 0.867 0.556 CB 1.361 46 residues pruned to eliminate duplicates Z: 14 9.873 1.815 0.300 0.442 0.846 0.538 O 1.456 14 residues pruned to eliminate duplicates Z: 18 22.459 1.953 0.480 0.876 1.000 0.706 CB 1.369 18 residues pruned to eliminate duplicates Z: 15 11.611 1.750 0.414 0.591 0.857 0.429 CB 1.341 15 residues pruned to eliminate duplicates Z: 27 33.371 1.999 0.727 0.918 0.923 0.885 CB 1.448 27 residues pruned to eliminate duplicates Z: 33 28.987 2.150 0.807 0.522 0.812 0.594 CB 1.588 29 residues pruned to eliminate duplicates Z: 23 19.457 1.880 0.369 0.898 0.909 0.545 CB 1.268 23 residues pruned to eliminate duplicates Z: 11 12.157 1.882 0.460 0.715 1.000 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 82 49.305 2.253 0.697 0.537 0.877 0.593 CB 1.577 82 residues pruned to eliminate duplicates Z: 12 18.317 2.004 0.401 0.886 1.000 0.727 CB 1.419 12 residues pruned to eliminate duplicates Z: 25 34.227 1.997 0.981 0.922 0.917 0.375 CB 1.355 25 residues pruned to eliminate duplicates Z: 7 10.136 2.057 0.248 0.733 1.000 0.833 CB 1.307 7 residues pruned to eliminate duplicates Z: 6 7.431 1.646 0.397 0.735 1.000 0.800 N 1.170 Z: 13 14.999 1.790 0.417 0.922 1.000 0.833 CB 1.201 12 residues pruned to eliminate duplicates Z: 13 9.613 1.948 0.253 0.463 0.833 0.667 CB 1.417 13 residues pruned to eliminate duplicates Z: 30 57.578 2.271 1.074 0.954 1.000 0.517 CB 1.562 30 residues pruned to eliminate duplicates Z: 21 15.966 2.238 0.547 0.447 0.800 0.650 CB 1.362 21 residues pruned to eliminate duplicates Z: 11 20.929 2.151 0.491 0.835 1.000 0.600 CA 1.545 11 residues pruned to eliminate duplicates Z: 7 6.949 1.611 0.650 0.798 0.833 0.667 CB 0.988 7 residues pruned to eliminate duplicates Z: 10 19.526 1.856 0.670 0.815 1.000 0.778 CA 1.597 10 residues pruned to eliminate duplicates Z: 27 32.932 1.923 0.947 0.893 0.885 0.692 CB 1.399 27 residues pruned to eliminate duplicates Z: 10 2.449 1.403 0.383 0.291 0.667 0.444 CA 0.797 Z: 12 17.476 1.788 0.777 0.888 0.909 0.455 CB 1.315 12 residues pruned to eliminate duplicates Z: 11 6.622 1.839 0.217 0.470 0.800 0.500 CB 1.207 11 residues pruned to eliminate duplicates Z: 9 13.879 1.923 0.249 0.876 1.000 0.875 CB 1.485 10 residues pruned to eliminate duplicates Z: 13 13.239 1.732 0.234 0.902 1.000 0.833 CB 1.275 13 residues pruned to eliminate duplicates Z: 6 2.941 1.800 0.223 0.436 0.800 0.400 CB 0.798 Z: 30 22.288 2.025 0.560 0.557 0.862 0.552 CB 1.438 30 residues pruned to eliminate duplicates Z: 9 10.778 1.687 0.371 0.843 1.000 0.875 CB 1.227 9 residues pruned to eliminate duplicates Z: 15 20.213 2.155 0.199 0.899 0.929 0.857 CA 1.610 15 residues pruned to eliminate duplicates Z: 16 18.960 2.023 0.433 0.754 0.933 0.667 CB 1.443 16 residues pruned to eliminate duplicates Z: 58 46.496 2.188 0.899 0.516 0.912 0.474 CB 1.600 58 residues pruned to eliminate duplicates Z: 15 18.466 1.740 0.420 0.857 1.000 0.786 CA 1.472 15 residues pruned to eliminate duplicates Z: 30 39.281 2.092 0.788 0.902 0.966 0.897 CA 1.441 30 residues pruned to eliminate duplicates Z: 21 19.596 1.723 0.580 0.864 0.900 0.750 CB 1.311 19 residues pruned to eliminate duplicates Z: 9 8.071 1.795 0.717 0.454 0.750 0.375 CB 1.295 Z: 28 16.259 1.867 0.583 0.613 0.852 0.444 CB 1.117 28 residues pruned to eliminate duplicates Z: 13 17.521 1.773 0.485 0.917 1.000 0.833 CB 1.356 14 residues pruned to eliminate duplicates Z: 21 27.229 1.984 0.591 0.900 0.950 0.800 CB 1.451 20 residues pruned to eliminate duplicates Z: 16 21.536 1.992 0.896 0.809 0.867 0.667 CB 1.298 16 residues pruned to eliminate duplicates Z: 16 17.786 1.792 0.561 0.899 1.000 0.867 CB 1.174 16 residues pruned to eliminate duplicates Z: 27 31.203 2.002 0.351 0.891 1.000 0.769 CA 1.626 27 residues pruned to eliminate duplicates Z: 30 25.593 1.963 0.554 0.606 0.966 0.621 CB 1.458 30 residues pruned to eliminate duplicates Z: 17 15.221 1.691 0.221 0.907 1.000 0.938 O 1.309 18 residues pruned to eliminate duplicates Z: 25 27.346 2.115 0.524 0.652 0.958 0.625 CB 1.569 26 residues pruned to eliminate duplicates Z: 43 35.319 2.248 0.761 0.424 0.929 0.405 CB 1.603 43 residues pruned to eliminate duplicates Z: 17 18.472 1.879 0.560 0.862 0.875 0.688 CA 1.323 17 residues pruned to eliminate duplicates Z: 31 14.982 1.888 0.338 0.508 0.767 0.533 CB 1.401 16 residues pruned to eliminate duplicates Z: 29 34.181 2.005 0.473 0.881 0.964 0.750 CB 1.643 29 residues pruned to eliminate duplicates Z: 10 15.894 1.875 0.485 0.832 1.000 0.667 CB 1.429 9 residues pruned to eliminate duplicates Z: 11 14.318 1.998 0.479 0.859 0.900 0.400 CB 1.253 11 residues pruned to eliminate duplicates Z: 25 24.755 1.861 0.470 0.911 0.958 0.583 CB 1.366 25 residues pruned to eliminate duplicates Z: 23 28.146 1.988 0.674 0.924 0.909 0.727 CB 1.393 23 residues pruned to eliminate duplicates Z: 7 11.209 1.762 0.623 0.887 1.000 1.000 CB 1.154 7 residues pruned to eliminate duplicates Z: 20 37.333 2.196 0.861 0.912 0.947 0.737 CA 1.566 20 residues pruned to eliminate duplicates Z: 81 41.271 2.185 0.564 0.518 0.875 0.625 CB 1.516 81 residues pruned to eliminate duplicates Z: 10 12.404 1.851 0.436 0.909 1.000 0.889 CB 1.104 10 residues pruned to eliminate duplicates Z: 10 15.178 2.179 0.658 0.487 0.889 0.667 CA 1.596 10 residues pruned to eliminate duplicates Z: 13 19.857 1.938 0.528 0.858 1.000 0.750 CA 1.425 13 residues pruned to eliminate duplicates Z: 22 30.400 2.070 0.979 0.896 0.857 0.476 CB 1.354 22 residues pruned to eliminate duplicates Z: 8 12.398 1.797 0.817 0.779 1.000 0.571 CA 1.122 8 residues pruned to eliminate duplicates Z: 39 55.020 2.261 1.019 0.797 1.000 0.895 CA 1.507 39 residues pruned to eliminate duplicates Z: 15 17.376 1.903 0.458 0.890 0.929 0.929 CB 1.297 15 residues pruned to eliminate duplicates Z: 15 20.282 1.917 0.450 0.915 0.929 0.714 CB 1.484 15 residues pruned to eliminate duplicates Z: 10 14.561 2.112 0.104 0.890 0.889 0.889 CA 1.684 10 residues pruned to eliminate duplicates Z: 27 23.102 2.001 0.555 0.598 0.923 0.731 CB 1.436 25 residues pruned to eliminate duplicates Z: 15 25.498 1.974 0.637 0.915 1.000 0.429 CB 1.491 15 residues pruned to eliminate duplicates Z: 17 21.899 1.930 0.540 0.861 0.938 0.750 CB 1.443 17 residues pruned to eliminate duplicates Z: 13 12.741 1.828 0.397 0.920 0.917 0.917 CB 1.107 13 residues pruned to eliminate duplicates Z: 42 51.044 2.221 0.813 0.855 0.902 0.512 CB 1.620 42 residues pruned to eliminate duplicates Z: 9 25.891 2.097 0.905 0.874 1.000 0.625 CB 1.668 9 residues pruned to eliminate duplicates Z: 16 20.164 1.933 0.424 0.913 0.933 0.667 CB 1.435 16 residues pruned to eliminate duplicates Z: 10 15.004 2.020 0.346 0.857 0.889 0.889 CA 1.525 8 residues pruned to eliminate duplicates Z: 13 22.302 2.071 0.424 0.925 1.000 0.500 CB 1.531 13 residues pruned to eliminate duplicates Z: 12 10.919 1.773 0.156 0.895 1.000 0.909 CB 1.151 12 residues pruned to eliminate duplicates Z: 15 17.980 2.041 0.817 0.704 0.857 0.500 CB 1.256 15 residues pruned to eliminate duplicates Z: 15 18.250 1.886 0.383 0.929 0.929 0.857 CB 1.410 14 residues pruned to eliminate duplicates Z: 9 9.797 1.927 0.234 0.860 1.000 0.875 CB 1.071 10 residues pruned to eliminate duplicates Z: 16 17.159 1.898 0.459 0.888 0.933 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 12 24.615 2.167 0.752 0.864 1.000 0.636 CA 1.433 12 residues pruned to eliminate duplicates Z: 20 9.869 1.711 0.460 0.455 0.789 0.368 CB 1.202 20 residues pruned to eliminate duplicates Z: 6 5.560 1.502 0.838 0.443 0.800 0.600 CA 1.194 6 residues pruned to eliminate duplicates Z: 29 16.995 1.989 0.411 0.627 0.857 0.571 CB 1.184 29 residues pruned to eliminate duplicates Z: 22 23.645 1.906 0.755 0.792 0.810 0.619 CB 1.475 22 residues pruned to eliminate duplicates Z: 22 27.728 2.012 0.619 0.898 0.952 0.810 CB 1.396 22 residues pruned to eliminate duplicates Z: 16 23.049 1.937 0.530 0.891 1.000 0.800 CA 1.444 16 residues pruned to eliminate duplicates Z: 8 6.321 1.812 0.592 0.687 0.857 0.857 CB 0.814 8 residues pruned to eliminate duplicates Z: 56 34.384 1.950 0.582 0.719 0.873 0.582 CB 1.413 54 residues pruned to eliminate duplicates Z: 8 12.716 2.008 0.748 0.751 0.857 0.571 CB 1.277 8 residues pruned to eliminate duplicates Z: 30 53.061 2.284 0.886 0.923 0.966 0.690 CB 1.665 30 residues pruned to eliminate duplicates Z: 9 3.819 1.370 0.409 0.610 1.000 0.750 CB 0.630 Z: 28 44.817 2.203 1.036 0.931 0.889 0.556 CB 1.511 28 residues pruned to eliminate duplicates Z: 24 22.068 1.782 0.327 0.931 1.000 0.913 CB 1.359 24 residues pruned to eliminate duplicates Z: 15 22.903 1.789 0.660 0.858 1.000 0.714 CA 1.518 15 residues pruned to eliminate duplicates Z: 20 12.920 1.990 0.478 0.356 0.789 0.421 CB 1.491 20 residues pruned to eliminate duplicates Z: 23 26.148 1.961 0.418 0.895 1.000 0.864 CA 1.437 23 residues pruned to eliminate duplicates Z: 10 20.311 2.288 0.561 0.877 0.889 0.889 CB 1.548 10 residues pruned to eliminate duplicates Z: 17 7.690 1.746 0.387 0.464 0.875 0.625 CB 0.941 9 residues pruned to eliminate duplicates Z: 12 10.752 1.699 0.581 0.858 0.909 0.455 CB 0.978 11 residues pruned to eliminate duplicates Z: 21 21.324 1.820 0.591 0.901 0.950 0.500 CB 1.237 21 residues pruned to eliminate duplicates Z: 33 23.373 2.195 0.424 0.436 0.875 0.500 CB 1.614 33 residues pruned to eliminate duplicates Z: 12 9.658 1.940 0.342 0.509 0.818 0.545 CA 1.354 12 residues pruned to eliminate duplicates Z: 51 24.830 2.006 0.609 0.505 0.860 0.660 CB 1.259 50 residues pruned to eliminate duplicates Z: 26 20.226 2.005 0.611 0.680 0.880 0.520 CB 1.206 26 residues pruned to eliminate duplicates Z: 16 24.678 2.125 0.495 0.855 0.933 0.667 CA 1.585 16 residues pruned to eliminate duplicates Z: 30 37.075 1.964 0.699 0.869 0.966 0.724 CB 1.561 30 residues pruned to eliminate duplicates Z: 7 7.066 1.649 -0.016 0.800 1.000 0.833 O 1.369 6 residues pruned to eliminate duplicates Z: 9 10.132 1.741 0.065 0.904 1.000 0.875 CB 1.375 9 residues pruned to eliminate duplicates Z: 10 10.859 1.605 0.503 0.738 1.000 0.667 CA 1.212 8 residues pruned to eliminate duplicates Z: 13 19.529 1.972 0.435 0.877 1.000 0.667 CB 1.447 13 residues pruned to eliminate duplicates Z: 14 18.988 1.985 0.301 0.912 0.923 0.846 CB 1.564 14 residues pruned to eliminate duplicates Z: 10 13.527 1.831 0.330 0.869 1.000 0.778 CB 1.352 10 residues pruned to eliminate duplicates Z: 14 10.556 1.794 0.524 0.515 0.846 0.692 CB 1.247 10 residues pruned to eliminate duplicates Z: 11 11.033 1.876 0.297 0.865 0.900 0.700 CB 1.167 11 residues pruned to eliminate duplicates Z: 15 24.554 1.860 0.871 0.887 0.929 0.857 CB 1.465 15 residues pruned to eliminate duplicates Z: 54 27.225 2.089 0.606 0.397 0.943 0.604 CB 1.317 62 residues pruned to eliminate duplicates Z: 24 23.364 1.884 0.380 0.842 0.957 0.826 CB 1.460 24 residues pruned to eliminate duplicates Z: 7 2.286 1.903 0.272 0.132 0.500 0.333 N 1.221 Z: 19 19.682 2.132 0.632 0.460 0.889 0.556 CB 1.561 19 residues pruned to eliminate duplicates Z: 64 51.209 2.262 0.762 0.577 0.921 0.651 CB 1.633 64 residues pruned to eliminate duplicates Z: 15 29.664 2.181 0.534 0.904 1.000 0.929 CA 1.687 15 residues pruned to eliminate duplicates Z: 29 22.695 1.980 0.506 0.651 0.929 0.607 CB 1.346 29 residues pruned to eliminate duplicates Z: 9 12.014 1.753 0.354 0.882 1.000 0.750 CB 1.295 10 residues pruned to eliminate duplicates Z: 11 7.449 1.868 0.093 0.681 0.900 0.700 CB 1.085 11 residues pruned to eliminate duplicates Z: 13 23.237 1.931 0.647 0.919 1.000 0.833 N 1.487 13 residues pruned to eliminate duplicates Z: 8 17.809 2.038 0.432 0.836 1.000 0.571 CA 1.727 8 residues pruned to eliminate duplicates Z: 16 27.909 2.185 0.634 0.841 0.933 0.733 CA 1.613 16 residues pruned to eliminate duplicates Z: 12 42.381 2.408 1.199 0.919 1.000 0.727 CA 1.701 12 residues pruned to eliminate duplicates Z: 15 8.988 1.814 0.357 0.798 0.714 0.500 CB 1.053 15 residues pruned to eliminate duplicates Z: 29 36.967 1.995 0.837 0.900 0.964 0.571 CB 1.412 29 residues pruned to eliminate duplicates Z: 15 12.180 1.841 0.187 0.763 0.857 0.643 CB 1.377 15 residues pruned to eliminate duplicates Z: 21 19.028 1.735 0.599 0.864 1.000 0.750 CB 1.124 21 residues pruned to eliminate duplicates Z: 8 8.401 1.840 0.125 0.878 1.000 0.857 CB 1.113 8 residues pruned to eliminate duplicates Z: 6 2.434 1.458 0.727 0.616 0.400 0.400 CA 0.969 6 residues pruned to eliminate duplicates Z: 29 34.713 1.930 0.912 0.890 0.964 0.679 CB 1.326 29 residues pruned to eliminate duplicates Z: 17 14.219 1.704 0.269 0.888 0.938 0.688 CB 1.262 17 residues pruned to eliminate duplicates Z: 13 29.841 2.195 1.249 0.805 0.917 0.583 CA 1.459 13 residues pruned to eliminate duplicates Z: 10 13.119 1.888 0.427 0.840 0.889 0.889 CA 1.364 10 residues pruned to eliminate duplicates Z: 11 9.581 1.793 0.483 0.736 0.900 0.800 CA 1.024 11 residues pruned to eliminate duplicates Z: 13 10.804 1.845 0.589 0.545 0.833 0.750 CB 1.221 14 residues pruned to eliminate duplicates Z: 17 22.463 2.028 0.515 0.819 1.000 0.688 CA 1.387 17 residues pruned to eliminate duplicates Z: 13 15.579 1.938 0.370 0.817 0.833 0.667 CB 1.543 13 residues pruned to eliminate duplicates Z: 18 8.746 1.615 0.290 0.493 0.824 0.471 CB 1.245 16 residues pruned to eliminate duplicates Z: 31 36.367 2.090 0.597 0.935 1.000 1.000 CA 1.386 31 residues pruned to eliminate duplicates Z: 43 25.190 2.039 0.616 0.578 0.857 0.643 CB 1.277 43 residues pruned to eliminate duplicates Z: 20 17.586 1.745 0.399 0.885 1.000 1.000 CB 1.193 20 residues pruned to eliminate duplicates Z: 17 13.249 1.772 0.300 0.888 0.875 0.875 CB 1.185 17 residues pruned to eliminate duplicates Z: 66 42.952 2.273 0.700 0.476 0.862 0.523 CB 1.639 66 residues pruned to eliminate duplicates Z: 26 22.285 2.001 0.559 0.729 0.840 0.680 CB 1.383 26 residues pruned to eliminate duplicates Z: 7 2.005 1.427 0.882 0.328 0.500 0.333 CB 0.736 Z: 12 18.345 2.050 0.651 0.918 0.909 0.455 CB 1.267 12 residues pruned to eliminate duplicates Z: 8 8.503 1.780 0.296 0.646 0.857 0.571 CA 1.418 8 residues pruned to eliminate duplicates Z: 14 16.696 1.958 0.417 0.919 0.923 0.769 CB 1.274 14 residues pruned to eliminate duplicates Z: 27 20.258 1.745 0.329 0.876 0.923 0.731 CB 1.349 27 residues pruned to eliminate duplicates Z: 6 2.721 1.734 0.219 0.384 0.600 0.400 CB 1.086 7 residues pruned to eliminate duplicates Z: 18 14.392 2.033 0.505 0.354 0.882 0.588 CB 1.513 18 residues pruned to eliminate duplicates Z: 16 29.579 2.090 0.819 0.942 0.933 0.667 CB 1.492 16 residues pruned to eliminate duplicates Z: 38 43.043 2.127 0.804 0.865 0.919 0.568 CB 1.470 38 residues pruned to eliminate duplicates Z: 28 56.615 2.267 1.083 0.955 1.000 0.370 CB 1.586 28 residues pruned to eliminate duplicates Z: 8 3.359 1.628 0.554 0.308 0.714 0.286 CB 0.870 8 residues pruned to eliminate duplicates Z: 12 16.379 2.139 0.443 0.875 1.000 0.909 CB 1.164 12 residues pruned to eliminate duplicates Z: 16 15.673 1.948 0.578 0.520 0.933 0.600 CB 1.383 16 residues pruned to eliminate duplicates Z: 7 7.744 1.886 0.209 0.774 0.833 0.833 CB 1.306 Z: 8 6.286 1.650 0.391 0.425 0.857 0.286 CB 1.306 Z: 25 16.547 1.937 0.371 0.666 0.792 0.625 CB 1.378 25 residues pruned to eliminate duplicates Z: 6 5.909 1.627 0.693 0.714 0.600 0.600 N 1.317 6 residues pruned to eliminate duplicates Z: 16 21.310 1.914 0.522 0.864 0.933 0.867 CB 1.484 16 residues pruned to eliminate duplicates Z: 6 5.777 1.534 0.422 0.596 0.800 0.800 N 1.351 6 residues pruned to eliminate duplicates Z: 8 9.777 1.913 0.566 0.620 1.000 0.571 CB 1.102 8 residues pruned to eliminate duplicates Z: 15 13.330 1.793 0.227 0.918 1.000 0.857 CB 1.142 15 residues pruned to eliminate duplicates Z: 9 9.793 1.778 0.521 0.877 1.000 0.750 CB 0.930 9 residues pruned to eliminate duplicates Z: 16 13.944 1.696 0.445 0.803 1.000 0.667 CB 1.127 16 residues pruned to eliminate duplicates Z: 6 12.001 2.006 0.466 0.648 1.000 1.000 CB 1.590 6 residues pruned to eliminate duplicates Z: 12 30.365 2.266 0.884 0.886 0.909 0.636 CA 1.702 12 residues pruned to eliminate duplicates Z: 16 21.064 1.863 0.713 0.931 1.000 0.267 CB 1.191 16 residues pruned to eliminate duplicates Z: 14 14.393 1.615 0.341 0.864 1.000 0.692 CB 1.351 14 residues pruned to eliminate duplicates Z: 7 9.373 1.992 0.062 0.892 1.000 0.833 CA 1.299 7 residues pruned to eliminate duplicates Z: 8 9.895 1.882 0.351 0.671 1.000 0.571 CB 1.256 8 residues pruned to eliminate duplicates Z: 17 19.638 1.843 0.740 0.813 0.938 0.625 CB 1.244 17 residues pruned to eliminate duplicates Z: 28 37.736 1.983 0.919 0.912 0.926 0.741 CB 1.460 28 residues pruned to eliminate duplicates Z: 10 8.141 1.615 0.632 0.858 0.778 0.444 CB 0.975 10 residues pruned to eliminate duplicates Z: 10 7.926 1.696 0.579 0.772 0.556 0.333 N 1.397 10 residues pruned to eliminate duplicates Z: 12 20.393 2.094 0.530 0.887 0.909 0.545 CB 1.523 11 residues pruned to eliminate duplicates Z: 12 17.520 1.841 0.363 0.909 1.000 1.000 CB 1.493 12 residues pruned to eliminate duplicates Z: 7 10.060 1.767 0.210 0.860 1.000 0.833 CB 1.412 7 residues pruned to eliminate duplicates Z: 7 8.509 1.822 0.265 0.743 1.000 0.667 CB 1.212 7 residues pruned to eliminate duplicates Z: 24 38.110 2.014 0.915 0.893 0.957 0.391 CB 1.547 24 residues pruned to eliminate duplicates Z: 9 2.962 1.520 0.321 0.218 0.875 0.250 CB 0.830 Z: 10 7.146 1.858 0.412 0.833 0.889 0.444 CB 0.766 10 residues pruned to eliminate duplicates Z: 35 24.310 1.977 0.750 0.513 0.882 0.559 CB 1.349 45 residues pruned to eliminate duplicates Z: 24 12.818 1.977 0.354 0.418 0.826 0.391 CB 1.317 24 residues pruned to eliminate duplicates Z: 14 20.564 2.090 0.688 0.827 0.923 0.692 CB 1.319 14 residues pruned to eliminate duplicates Z: 12 10.786 1.892 0.601 0.614 0.727 0.636 CB 1.325 12 residues pruned to eliminate duplicates Z: 8 7.708 1.829 0.606 0.782 1.000 0.857 CA 0.774 8 residues pruned to eliminate duplicates Z: 18 14.899 1.651 0.660 0.850 0.882 0.588 CB 1.107 18 residues pruned to eliminate duplicates Z: 16 15.713 1.717 0.250 0.915 1.000 0.933 CB 1.337 16 residues pruned to eliminate duplicates Z: 16 24.543 1.982 0.459 0.899 1.000 0.800 CB 1.566 16 residues pruned to eliminate duplicates Z: 26 33.360 2.029 0.800 0.903 0.920 0.800 CB 1.415 26 residues pruned to eliminate duplicates Z: 22 24.772 1.934 0.484 0.912 1.000 0.667 CB 1.335 22 residues pruned to eliminate duplicates Z: 18 14.908 1.654 0.416 0.832 0.882 0.588 CB 1.314 18 residues pruned to eliminate duplicates Z: 9 7.974 1.843 0.049 0.667 1.000 1.000 CA 1.249 9 residues pruned to eliminate duplicates Z: 10 3.107 1.475 0.399 0.299 0.667 0.444 CB 0.942 Z: 11 4.502 1.676 -0.017 0.386 0.900 0.400 CB 1.084 Z: 13 22.772 1.930 0.740 0.916 1.000 0.917 CB 1.382 13 residues pruned to eliminate duplicates Z: 16 27.298 1.993 0.848 0.905 0.933 0.400 CB 1.460 16 residues pruned to eliminate duplicates 7 1.240 1.844 -0.289 0.234 0.667 0.333 CB 0.789 ? Z: 9 11.232 1.531 0.925 0.844 1.000 0.750 CB 1.002 9 residues pruned to eliminate duplicates Z: 20 23.295 1.913 0.575 0.755 1.000 0.579 CB 1.414 20 residues pruned to eliminate duplicates Z: 6 7.022 1.939 0.361 0.717 0.600 0.400 O 1.630 6 residues pruned to eliminate duplicates Z: 26 32.252 1.952 0.861 0.901 0.960 0.560 CB 1.320 26 residues pruned to eliminate duplicates Z: 23 24.962 1.958 0.423 0.880 0.955 0.818 CB 1.450 23 residues pruned to eliminate duplicates Z: 9 12.715 1.642 0.737 0.864 1.000 0.875 CB 1.156 Z: 18 14.201 1.747 0.297 0.878 0.882 0.824 CB 1.250 18 residues pruned to eliminate duplicates Z: 9 12.846 1.506 1.130 0.821 1.000 1.000 CA 1.072 Z: 7 5.350 1.374 0.461 0.618 0.833 0.667 CB 1.168 Z: 17 25.860 2.081 0.723 0.812 0.938 0.812 CA 1.466 17 residues pruned to eliminate duplicates Z: 15 15.658 1.905 0.408 0.862 0.929 0.857 CB 1.234 15 residues pruned to eliminate duplicates Z: 13 21.208 2.047 0.709 0.702 1.000 0.667 CB 1.457 13 residues pruned to eliminate duplicates Z: 6 3.962 1.589 0.793 0.483 0.800 0.600 CB 0.791 Z: 17 27.527 2.084 0.714 0.868 1.000 0.938 CA 1.408 17 residues pruned to eliminate duplicates Z: 11 16.698 2.083 0.305 0.879 0.900 0.900 CA 1.565 11 residues pruned to eliminate duplicates Z: 8 2.761 1.546 0.217 0.423 0.714 0.571 CB 0.841 Z: 14 7.134 1.744 0.533 0.372 0.769 0.385 CB 1.104 Z: 34 20.056 2.143 0.751 0.545 0.758 0.636 CB 1.176 34 residues pruned to eliminate duplicates Z: 18 14.491 1.699 0.466 0.843 0.882 0.588 CA 1.190 18 residues pruned to eliminate duplicates Z: 9 19.455 2.140 0.725 0.812 0.875 0.875 CA 1.623 9 residues pruned to eliminate duplicates Z: 14 16.856 1.836 0.291 0.890 1.000 1.000 CB 1.419 14 residues pruned to eliminate duplicates Z: 10 12.378 1.754 0.574 0.853 1.000 0.667 CB 1.105 9 residues pruned to eliminate duplicates Z: 44 21.687 1.880 0.412 0.577 0.907 0.628 CB 1.276 44 residues pruned to eliminate duplicates Z: 26 25.046 2.104 0.572 0.586 0.960 0.680 CB 1.452 26 residues pruned to eliminate duplicates Z: 16 19.982 1.939 0.211 0.928 1.000 1.000 CA 1.539 16 residues pruned to eliminate duplicates Z: 11 9.284 1.944 0.065 0.861 0.800 0.700 CA 1.303 11 residues pruned to eliminate duplicates Z: 46 23.812 2.089 0.560 0.443 0.844 0.511 CB 1.368 51 residues pruned to eliminate duplicates Z: 10 14.686 1.739 0.525 0.905 0.889 0.889 O 1.478 10 residues pruned to eliminate duplicates Z: 11 8.860 1.743 -0.027 0.904 1.000 0.900 CB 1.178 11 residues pruned to eliminate duplicates Z: 36 21.649 2.093 0.517 0.471 0.943 0.457 CB 1.258 36 residues pruned to eliminate duplicates Z: 9 13.714 1.922 0.381 0.881 0.875 0.625 CB 1.512 9 residues pruned to eliminate duplicates Z: 13 19.985 1.873 0.710 0.884 0.917 0.667 N 1.420 13 residues pruned to eliminate duplicates Z: 19 23.137 2.066 0.559 0.646 0.944 0.556 CB 1.563 19 residues pruned to eliminate duplicates Z: 30 34.883 1.949 0.870 0.876 0.966 0.414 CB 1.337 30 residues pruned to eliminate duplicates Z: 9 7.120 1.827 0.218 0.492 0.875 0.625 CB 1.304 Z: 17 23.148 2.000 0.438 0.796 1.000 0.812 CA 1.553 17 residues pruned to eliminate duplicates Z: 15 16.669 1.818 0.335 0.918 1.000 0.857 O 1.294 15 residues pruned to eliminate duplicates Z: 9 11.705 1.654 0.455 0.836 1.000 0.750 CA 1.288 9 residues pruned to eliminate duplicates Z: 17 20.702 1.917 0.285 0.882 1.000 0.750 CA 1.520 17 residues pruned to eliminate duplicates Z: 91 53.207 2.116 0.581 0.718 0.933 0.644 CB 1.475 91 residues pruned to eliminate duplicates Z: 7 10.780 1.971 0.020 0.781 1.000 0.833 CB 1.709 7 residues pruned to eliminate duplicates Z: 10 7.725 1.904 0.512 0.456 0.778 0.444 CB 1.202 10 residues pruned to eliminate duplicates Z: 14 7.460 1.774 0.165 0.395 0.769 0.462 CB 1.454 14 residues pruned to eliminate duplicates Z: 17 10.521 1.623 0.684 0.436 0.875 0.438 CB 1.175 5 residues pruned to eliminate duplicates Z: 26 26.009 2.064 0.591 0.615 0.960 0.520 CB 1.480 26 residues pruned to eliminate duplicates Z: 6 4.155 1.534 0.329 0.614 0.800 0.800 CB 1.023 Z: 22 26.469 2.015 0.363 0.902 1.000 0.857 CB 1.501 22 residues pruned to eliminate duplicates Z: 6 3.233 1.674 0.435 0.392 0.600 0.600 O 1.124 6 residues pruned to eliminate duplicates Z: 43 29.131 2.159 0.486 0.473 0.905 0.452 CB 1.592 43 residues pruned to eliminate duplicates Z: 27 22.774 2.023 0.444 0.599 0.923 0.577 CB 1.508 27 residues pruned to eliminate duplicates Z: 16 20.274 1.874 0.562 0.861 0.933 0.533 CB 1.408 16 residues pruned to eliminate duplicates Z: 12 12.387 1.743 0.306 0.881 1.000 0.727 CB 1.188 13 residues pruned to eliminate duplicates Z: 9 12.721 1.683 0.788 0.813 1.000 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 16 14.116 1.731 0.438 0.884 0.867 0.667 CB 1.221 16 residues pruned to eliminate duplicates Z: 9 15.205 1.741 0.659 0.847 1.000 0.750 CB 1.382 9 residues pruned to eliminate duplicates Z: 11 7.714 1.586 0.486 0.596 0.900 0.800 CB 1.050 7 residues pruned to eliminate duplicates Z: 28 41.100 2.127 0.817 0.887 0.889 0.444 CB 1.660 28 residues pruned to eliminate duplicates Z: 8 10.584 1.831 0.359 0.862 1.000 1.000 N 1.181 8 residues pruned to eliminate duplicates Z: 14 26.390 1.935 0.950 0.872 0.923 0.923 CB 1.532 14 residues pruned to eliminate duplicates Z: 8 3.782 1.727 0.341 0.732 1.000 0.857 CB 0.501 Z: 37 22.224 2.155 0.541 0.480 0.833 0.556 CB 1.366 37 residues pruned to eliminate duplicates Z: 65 47.686 2.228 0.684 0.553 0.922 0.750 CA 1.636 65 residues pruned to eliminate duplicates Z: 16 22.685 2.073 0.684 0.822 0.867 0.600 CB 1.465 16 residues pruned to eliminate duplicates Z: 14 12.168 1.806 0.338 0.818 0.846 0.231 CB 1.252 14 residues pruned to eliminate duplicates Z: 8 11.845 1.986 0.962 0.486 1.000 0.714 CA 1.165 8 residues pruned to eliminate duplicates Z: 38 23.615 1.998 0.703 0.622 0.784 0.432 CB 1.297 38 residues pruned to eliminate duplicates Z: 16 21.035 1.849 0.483 0.824 1.000 0.733 CA 1.497 16 residues pruned to eliminate duplicates Z: 20 12.545 1.693 0.506 0.876 0.947 0.632 CB 0.866 20 residues pruned to eliminate duplicates Z: 15 18.573 1.923 0.352 0.892 1.000 0.714 CB 1.372 15 residues pruned to eliminate duplicates Z: 12 20.539 2.039 0.509 0.864 1.000 0.636 CA 1.475 12 residues pruned to eliminate duplicates Z: 9 3.902 1.618 0.137 0.776 0.875 0.625 CB 0.672 7 residues pruned to eliminate duplicates Z: 31 51.239 2.105 1.173 0.936 0.933 0.633 CB 1.526 31 residues pruned to eliminate duplicates Z: 43 36.860 2.154 0.702 0.570 0.929 0.738 CB 1.561 43 residues pruned to eliminate duplicates Z: 7 2.713 1.560 0.516 0.257 0.667 0.333 CB 0.928 Z: 12 8.557 1.758 0.421 0.391 0.909 0.545 CB 1.275 12 residues pruned to eliminate duplicates Z: 16 22.549 1.947 0.584 0.918 0.933 0.667 CB 1.426 16 residues pruned to eliminate duplicates Z: 18 20.528 1.904 0.619 0.744 1.000 0.529 CB 1.299 18 residues pruned to eliminate duplicates Z: 15 24.730 1.844 0.812 0.838 0.929 0.357 CB 1.592 15 residues pruned to eliminate duplicates Z: 16 27.112 2.004 0.580 0.938 1.000 0.600 CB 1.536 16 residues pruned to eliminate duplicates Z: 10 5.596 1.563 0.219 0.560 0.889 0.556 CB 1.039 10 residues pruned to eliminate duplicates Z: 7 4.923 1.480 0.601 0.534 0.667 0.667 CB 1.231 7 residues pruned to eliminate duplicates Z: 14 17.299 1.884 0.395 0.796 1.000 0.769 CB 1.408 13 residues pruned to eliminate duplicates Z: 18 15.716 1.704 0.342 0.884 0.941 0.706 CB 1.279 18 residues pruned to eliminate duplicates Z: 7 2.868 1.487 0.161 0.495 1.000 0.667 CB 0.682 Z: 9 2.439 1.529 0.124 0.339 0.750 0.625 CB 0.798 8 residues pruned to eliminate duplicates Z: 16 22.949 1.815 0.725 0.886 0.933 0.733 CB 1.462 16 residues pruned to eliminate duplicates Z: 14 18.013 1.890 0.510 0.868 0.923 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 8 14.112 1.891 0.544 0.795 1.000 0.714 CB 1.411 Z: 13 16.702 1.743 0.593 0.903 0.917 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 12 17.101 1.977 0.496 0.742 0.909 0.545 CA 1.543 12 residues pruned to eliminate duplicates Z: 8 5.112 1.577 0.428 0.505 0.857 0.571 CB 0.996 Z: 6 5.772 1.940 0.139 0.772 1.000 0.600 CB 0.918 6 residues pruned to eliminate duplicates Z: 6 2.584 1.547 0.251 0.296 0.600 0.400 CB 1.250 6 residues pruned to eliminate duplicates Z: 6 2.780 1.603 0.214 0.100 0.800 0.800 CA 1.330 Z: 6 2.517 1.458 0.324 0.469 0.600 0.600 CB 1.003 Z: 12 12.469 1.777 0.160 0.897 1.000 0.909 CB 1.305 12 residues pruned to eliminate duplicates Z: 16 26.355 2.127 0.645 0.837 0.933 0.733 CB 1.559 16 residues pruned to eliminate duplicates Z: 40 21.484 2.004 0.377 0.414 0.872 0.436 CB 1.564 40 residues pruned to eliminate duplicates Z: 8 3.832 1.845 -0.053 0.315 0.714 0.429 CA 1.423 8 residues pruned to eliminate duplicates Z: 28 31.260 1.984 0.354 0.919 0.963 0.852 CA 1.640 28 residues pruned to eliminate duplicates Z: 8 5.429 1.590 0.262 0.508 0.857 0.571 O 1.183 Z: 6 3.241 1.851 0.424 0.378 0.600 0.400 CB 1.043 6 1.277 1.185 0.574 0.686 0.800 0.600 CB 0.323 ? Z: 6 7.832 1.760 0.082 0.879 1.000 1.000 O 1.334 6 residues pruned to eliminate duplicates Z: 15 16.559 1.726 0.708 0.922 0.929 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 10 5.806 1.804 0.056 0.518 0.778 0.556 CB 1.283 10 residues pruned to eliminate duplicates Z: 16 16.423 1.781 0.608 0.875 0.867 0.733 CB 1.243 16 residues pruned to eliminate duplicates Z: 6 3.250 1.427 0.025 0.775 0.800 0.600 CA 0.974 Z: 14 19.212 1.853 0.703 0.871 0.923 0.769 CB 1.334 14 residues pruned to eliminate duplicates Z: 8 8.100 1.629 0.278 0.859 0.857 0.714 CB 1.263 8 residues pruned to eliminate duplicates Z: 10 5.278 1.536 0.644 0.343 0.778 0.444 CB 1.063 Z: 11 8.887 1.727 0.316 0.400 1.000 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 31 40.445 1.971 0.857 0.914 0.900 0.533 CB 1.585 30 residues pruned to eliminate duplicates Z: 16 16.478 1.967 1.023 0.339 1.000 0.400 CA 1.275 16 residues pruned to eliminate duplicates Z: 26 26.274 1.909 0.537 0.862 0.840 0.720 CB 1.565 26 residues pruned to eliminate duplicates Z: 20 35.509 2.155 0.737 0.834 1.000 0.895 CA 1.631 20 residues pruned to eliminate duplicates Z: 6 3.561 1.800 0.343 0.635 1.000 0.800 CB 0.580 Z: 13 5.468 1.815 0.280 0.442 0.833 0.583 CB 0.865 13 residues pruned to eliminate duplicates Z: 16 15.693 1.905 0.416 0.867 0.933 0.667 CB 1.178 16 residues pruned to eliminate duplicates Z: 10 14.875 1.910 0.451 0.831 0.889 0.667 CB 1.513 10 residues pruned to eliminate duplicates Z: 14 23.144 2.077 1.075 0.558 0.923 0.462 CA 1.524 14 residues pruned to eliminate duplicates Z: 10 7.220 1.780 0.527 0.809 0.778 0.667 CB 0.870 10 residues pruned to eliminate duplicates Z: 6 7.282 1.964 0.678 0.493 0.800 0.600 CB 1.244 Z: 14 20.582 2.071 0.295 0.843 1.000 0.692 CA 1.586 14 residues pruned to eliminate duplicates Z: 50 26.837 2.069 0.445 0.515 0.918 0.612 CB 1.375 50 residues pruned to eliminate duplicates Z: 22 15.894 1.711 0.400 0.889 1.000 0.810 CB 1.042 22 residues pruned to eliminate duplicates Z: 12 17.186 2.031 0.575 0.887 0.909 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 23 14.988 2.016 0.535 0.525 0.864 0.455 CB 1.167 23 residues pruned to eliminate duplicates Z: 7 14.826 2.130 0.561 0.696 1.000 0.833 CA 1.521 7 residues pruned to eliminate duplicates Z: 7 4.225 1.704 0.194 0.671 0.833 0.667 CB 0.869 7 residues pruned to eliminate duplicates Z: 11 16.019 2.055 0.330 0.829 1.000 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 15 13.686 2.054 0.548 0.536 0.929 0.643 CB 1.195 15 residues pruned to eliminate duplicates Z: 10 7.722 1.870 0.117 0.788 0.778 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 29 12.135 1.788 0.476 0.463 0.714 0.464 CB 1.263 29 residues pruned to eliminate duplicates Z: 8 18.502 2.082 0.436 0.898 1.000 0.571 CB 1.673 8 residues pruned to eliminate duplicates Z: 47 41.804 2.156 0.985 0.651 0.848 0.522 CB 1.476 47 residues pruned to eliminate duplicates Z: 16 18.821 1.896 0.242 0.910 1.000 0.867 CB 1.464 16 residues pruned to eliminate duplicates Z: 30 15.574 1.815 0.325 0.482 0.897 0.552 CB 1.365 33 residues pruned to eliminate duplicates Z: 7 5.794 1.587 0.366 0.528 0.833 0.667 CA 1.274 Z: 12 5.906 1.680 0.205 0.623 0.909 0.727 CB 0.861 Z: 29 41.423 2.015 0.799 0.928 0.964 0.536 CB 1.568 29 residues pruned to eliminate duplicates Z: 29 20.441 1.997 0.738 0.466 0.893 0.429 CB 1.291 29 residues pruned to eliminate duplicates Z: 10 3.601 1.375 0.242 0.406 1.000 0.333 CB 0.776 10 residues pruned to eliminate duplicates Z: 17 17.398 1.886 0.443 0.808 0.938 0.625 CB 1.303 17 residues pruned to eliminate duplicates Z: 12 10.566 1.572 0.216 0.889 1.000 0.818 CB 1.200 12 residues pruned to eliminate duplicates Z: 8 18.168 1.882 0.829 0.880 1.000 0.714 N 1.446 8 residues pruned to eliminate duplicates Z: 14 29.895 2.154 0.755 0.915 0.923 0.538 CB 1.678 14 residues pruned to eliminate duplicates Z: 86 55.534 2.203 0.744 0.632 0.941 0.671 CB 1.472 86 residues pruned to eliminate duplicates Z: 19 15.064 1.732 0.390 0.875 0.889 0.556 CB 1.207 19 residues pruned to eliminate duplicates Z: 16 21.703 2.041 0.667 0.805 0.867 0.733 CB 1.456 16 residues pruned to eliminate duplicates Z: 35 23.337 1.960 0.602 0.480 0.941 0.618 CB 1.382 35 residues pruned to eliminate duplicates Z: 22 30.124 1.925 0.799 0.909 0.905 0.714 CA 1.489 22 residues pruned to eliminate duplicates Z: 8 2.075 1.498 0.195 0.414 0.714 0.429 CB 0.672 7 residues pruned to eliminate duplicates Z: 28 18.849 1.882 0.596 0.557 0.889 0.556 CB 1.285 28 residues pruned to eliminate duplicates Z: 9 13.159 1.909 0.623 0.889 0.875 0.750 CB 1.235 9 residues pruned to eliminate duplicates Z: 6 10.515 2.178 0.236 0.678 1.000 0.800 CB 1.483 6 residues pruned to eliminate duplicates Z: 28 19.298 2.050 0.567 0.569 0.963 0.778 CB 1.123 28 residues pruned to eliminate duplicates Z: 21 15.324 1.792 0.417 0.828 0.900 0.700 CB 1.129 21 residues pruned to eliminate duplicates Z: 7 12.349 1.813 0.654 0.827 0.833 0.500 CB 1.520 15 residues pruned to eliminate duplicates Z: 9 8.872 1.872 0.231 0.466 1.000 0.375 CA 1.409 9 residues pruned to eliminate duplicates Z: 10 13.035 1.894 0.604 0.908 1.000 0.667 CB 1.016 10 residues pruned to eliminate duplicates Z: 7 2.292 1.415 0.325 0.215 0.833 0.167 N 0.838 Z: 11 18.956 1.965 0.685 0.861 1.000 0.700 CB 1.330 11 residues pruned to eliminate duplicates Z: 17 14.104 1.998 0.619 0.433 0.750 0.375 CB 1.559 17 residues pruned to eliminate duplicates Z: 19 15.666 1.707 0.448 0.861 0.944 0.556 CB 1.162 19 residues pruned to eliminate duplicates Z: 6 11.202 1.839 0.429 0.844 1.000 0.600 O 1.418 6 residues pruned to eliminate duplicates Z: 51 24.037 2.041 0.373 0.477 0.880 0.600 CB 1.410 51 residues pruned to eliminate duplicates Z: 23 41.399 2.249 0.909 0.921 0.909 0.318 CB 1.592 23 residues pruned to eliminate duplicates Z: 13 9.307 2.002 0.503 0.576 0.833 0.750 CB 0.995 13 residues pruned to eliminate duplicates Z: 7 4.412 1.739 0.178 0.384 0.833 0.500 N 1.193 Z: 20 7.891 1.572 0.488 0.397 0.842 0.579 CB 1.024 20 residues pruned to eliminate duplicates Z: 7 2.567 1.566 0.585 0.397 0.667 0.333 CB 0.706 Z: 13 21.934 1.896 0.523 0.920 1.000 0.917 N 1.544 13 residues pruned to eliminate duplicates Z: 8 5.574 1.832 0.371 0.853 1.000 0.857 CB 0.620 8 residues pruned to eliminate duplicates Z: 9 9.573 1.591 0.567 0.779 0.875 0.625 CA 1.213 9 residues pruned to eliminate duplicates Z: 6 6.883 2.218 -0.209 0.749 1.000 0.800 CB 1.406 6 residues pruned to eliminate duplicates Z: 23 18.869 1.860 0.324 0.881 0.909 0.773 CB 1.301 23 residues pruned to eliminate duplicates Z: 46 50.048 2.144 0.906 0.753 0.911 0.756 CB 1.599 46 residues pruned to eliminate duplicates 8 1.714 1.606 0.303 0.226 0.571 0.429 CB 0.746 ? Z: 31 36.179 1.935 0.648 0.900 0.967 0.533 CB 1.531 31 residues pruned to eliminate duplicates Z: 10 13.111 1.727 0.694 0.922 1.000 0.778 CA 1.050 10 residues pruned to eliminate duplicates Z: 55 53.493 2.239 0.621 0.782 0.981 0.722 CA 1.593 55 residues pruned to eliminate duplicates Z: 15 19.534 2.248 0.727 0.645 0.929 0.571 CB 1.265 15 residues pruned to eliminate duplicates Z: 19 14.377 1.780 0.228 0.828 0.944 0.667 CB 1.236 19 residues pruned to eliminate duplicates Z: 27 26.105 1.902 0.756 0.885 0.808 0.577 CB 1.371 27 residues pruned to eliminate duplicates Z: 17 19.163 1.753 0.933 0.909 0.938 0.250 CB 1.071 17 residues pruned to eliminate duplicates 7 1.992 1.591 0.120 0.368 0.667 0.500 CB 0.789 ? Z: 21 12.460 1.632 0.182 0.882 0.900 0.800 CB 1.161 21 residues pruned to eliminate duplicates Z: 33 24.221 1.967 0.518 0.688 0.906 0.312 CB 1.332 33 residues pruned to eliminate duplicates 6 1.987 1.434 0.089 0.361 0.600 0.400 CB 1.102 ? Z: 11 5.164 1.855 0.074 0.391 0.900 0.600 CA 1.022 11 residues pruned to eliminate duplicates Z: 14 18.308 1.873 0.570 0.797 1.000 0.692 CA 1.331 14 residues pruned to eliminate duplicates Z: 6 3.301 1.204 0.360 0.827 1.000 0.800 O 0.679 6 residues pruned to eliminate duplicates Z: 10 5.331 1.464 0.294 0.458 1.000 0.556 CB 0.978 6 residues pruned to eliminate duplicates Z: 7 2.981 1.560 0.524 0.249 0.833 0.667 CB 0.820 Z: 33 22.162 1.971 0.467 0.638 0.875 0.750 CB 1.360 33 residues pruned to eliminate duplicates Z: 13 12.019 1.970 0.216 0.490 1.000 0.417 CB 1.463 13 residues pruned to eliminate duplicates Z: 32 21.878 1.742 0.717 0.670 0.839 0.419 CB 1.339 32 residues pruned to eliminate duplicates Z: 11 3.894 1.646 0.157 0.385 0.800 0.700 CB 0.913 Z: 17 9.266 1.889 0.183 0.411 0.938 0.562 CB 1.214 17 residues pruned to eliminate duplicates Z: 9 5.312 1.515 0.374 0.423 0.875 0.375 CB 1.117 Z: 8 14.544 1.662 0.977 0.867 1.000 0.714 CB 1.224 8 residues pruned to eliminate duplicates Z: 10 4.447 1.375 0.281 0.699 1.000 0.667 CB 0.702 Z: 29 44.222 2.026 0.887 0.933 1.000 0.536 CB 1.525 31 residues pruned to eliminate duplicates Z: 10 15.070 1.894 0.758 0.850 1.000 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 27 23.840 2.012 0.630 0.643 0.885 0.577 CB 1.410 27 residues pruned to eliminate duplicates Z: 10 4.698 1.774 0.285 0.404 0.667 0.556 CB 1.139 Z: 19 16.746 1.876 0.527 0.619 0.833 0.556 CB 1.478 19 residues pruned to eliminate duplicates Z: 6 6.533 1.629 0.263 0.679 1.000 0.800 CB 1.205 6 residues pruned to eliminate duplicates Z: 6 5.692 1.545 0.313 0.841 1.000 1.000 N 0.937 Z: 7 12.578 2.351 0.612 0.510 0.833 0.500 CA 1.610 7 residues pruned to eliminate duplicates Z: 8 6.047 1.676 0.739 0.698 1.000 0.714 CB 0.655 8 residues pruned to eliminate duplicates Z: 7 4.610 1.579 0.795 0.427 0.833 0.667 CB 0.859 18 residues pruned to eliminate duplicates Z: 12 24.328 2.153 0.870 0.888 0.909 0.545 CA 1.444 12 residues pruned to eliminate duplicates Z: 21 27.296 1.896 0.986 0.833 0.900 0.450 CB 1.352 21 residues pruned to eliminate duplicates Z: 18 21.859 1.859 0.672 0.705 1.000 0.706 CB 1.416 18 residues pruned to eliminate duplicates Z: 7 2.862 1.367 0.304 0.845 1.000 0.833 CB 0.487 Z: 16 13.752 2.092 0.415 0.624 0.800 0.533 CB 1.334 16 residues pruned to eliminate duplicates Z: 20 13.454 1.632 0.538 0.597 1.000 0.579 CB 1.121 18 residues pruned to eliminate duplicates Z: 20 22.810 2.206 0.616 0.668 0.895 0.632 CB 1.404 20 residues pruned to eliminate duplicates Z: 13 11.937 1.664 0.654 0.552 0.917 0.750 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 20.054 1.964 0.916 0.825 0.833 0.417 CB 1.393 13 residues pruned to eliminate duplicates Z: 12 16.716 2.084 0.611 0.798 0.818 0.818 CA 1.413 12 residues pruned to eliminate duplicates Z: 31 43.926 2.252 0.576 0.911 1.000 0.933 CA 1.601 31 residues pruned to eliminate duplicates Z: 37 36.229 2.011 0.840 0.718 0.944 0.444 CB 1.418 37 residues pruned to eliminate duplicates Z: 13 11.753 1.690 0.357 0.876 0.917 0.667 CB 1.173 13 residues pruned to eliminate duplicates Z: 16 25.175 1.963 0.577 0.847 0.933 0.467 CA 1.671 16 residues pruned to eliminate duplicates Z: 64 47.011 2.215 0.725 0.566 0.921 0.714 CA 1.580 64 residues pruned to eliminate duplicates Z: 13 8.953 1.862 0.530 0.358 0.917 0.583 CB 1.154 13 residues pruned to eliminate duplicates Z: 15 18.777 1.925 0.384 0.905 0.929 0.786 CA 1.443 15 residues pruned to eliminate duplicates Z: 6 3.581 1.544 -0.089 0.654 1.000 0.800 CA 0.987 Z: 14 18.200 1.808 0.570 0.910 1.000 0.846 CB 1.261 14 residues pruned to eliminate duplicates Z: 24 20.667 2.006 0.512 0.637 0.913 0.609 CB 1.369 24 residues pruned to eliminate duplicates Z: 12 16.933 1.863 0.398 0.832 0.909 0.455 N 1.619 12 residues pruned to eliminate duplicates Z: 6 3.675 1.728 0.141 0.461 0.800 0.600 N 1.085 6 residues pruned to eliminate duplicates Z: 11 10.477 1.765 0.352 0.829 1.000 0.400 CB 1.045 11 residues pruned to eliminate duplicates Z: 20 18.812 1.951 0.698 0.579 0.842 0.474 CB 1.433 20 residues pruned to eliminate duplicates Z: 20 13.570 1.676 0.577 0.581 0.895 0.579 CB 1.219 35 residues pruned to eliminate duplicates Z: 6 5.068 1.687 0.397 0.845 1.000 0.800 CB 0.715 5 residues pruned to eliminate duplicates Z: 14 15.659 1.829 0.228 0.906 1.000 1.000 CB 1.375 14 residues pruned to eliminate duplicates Z: 22 17.067 1.704 0.420 0.867 0.952 0.429 CB 1.182 22 residues pruned to eliminate duplicates Z: 32 25.099 2.079 0.758 0.532 0.839 0.387 CB 1.425 32 residues pruned to eliminate duplicates Z: 30 26.226 2.013 0.639 0.623 0.931 0.655 CB 1.411 30 residues pruned to eliminate duplicates Z: 16 7.649 1.875 0.301 0.433 0.800 0.667 CB 1.084 18 residues pruned to eliminate duplicates Z: 49 53.528 2.199 1.000 0.763 0.938 0.396 CB 1.484 49 residues pruned to eliminate duplicates Z: 19 21.905 1.714 0.759 0.896 1.000 0.667 CB 1.226 19 residues pruned to eliminate duplicates Z: 9 9.214 1.647 0.285 0.748 1.000 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 7 4.497 1.970 -0.035 0.466 0.833 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 14 10.319 1.923 0.392 0.459 0.846 0.538 CB 1.318 14 residues pruned to eliminate duplicates Z: 8 22.041 1.967 1.057 0.875 1.000 0.857 CA 1.497 8 residues pruned to eliminate duplicates 6 1.858 1.450 0.090 0.378 0.800 0.800 N 0.748 ? Z: 6 2.047 1.325 0.767 0.545 0.800 0.400 CB 0.468 Z: 13 8.210 1.752 0.124 0.808 0.917 0.750 CB 1.003 13 residues pruned to eliminate duplicates Z: 19 16.504 1.612 0.681 0.877 0.944 0.667 CB 1.104 19 residues pruned to eliminate duplicates Z: 13 16.181 1.957 0.147 0.887 0.917 0.833 CB 1.636 13 residues pruned to eliminate duplicates Z: 6 3.650 1.741 0.286 0.248 0.800 0.200 N 1.218 5 residues pruned to eliminate duplicates Z: 15 12.923 1.893 0.307 0.581 0.857 0.714 CB 1.507 18 residues pruned to eliminate duplicates Z: 36 22.837 2.100 0.602 0.473 0.800 0.543 CB 1.474 36 residues pruned to eliminate duplicates Z: 11 6.091 1.631 0.263 0.341 0.900 0.600 CB 1.236 Z: 14 14.506 1.706 0.393 0.878 0.923 0.615 CB 1.331 14 residues pruned to eliminate duplicates Z: 11 5.706 1.815 0.774 0.528 0.700 0.500 CB 0.779 11 residues pruned to eliminate duplicates Z: 16 20.660 1.964 0.457 0.907 0.867 0.867 CB 1.528 16 residues pruned to eliminate duplicates Z: 25 33.081 2.006 0.945 0.873 0.958 0.500 CB 1.316 25 residues pruned to eliminate duplicates Z: 35 32.519 2.228 0.638 0.545 0.941 0.471 CB 1.553 35 residues pruned to eliminate duplicates Z: 7 23.973 2.359 0.673 0.851 1.000 0.667 CA 1.835 7 residues pruned to eliminate duplicates Z: 28 21.945 1.949 0.503 0.592 0.926 0.593 CB 1.426 28 residues pruned to eliminate duplicates Z: 8 13.730 1.718 0.531 0.862 1.000 0.857 CA 1.449 8 residues pruned to eliminate duplicates Z: 11 12.107 1.756 0.699 0.777 0.800 0.700 CB 1.256 11 residues pruned to eliminate duplicates Z: 8 2.155 1.443 0.296 0.227 0.714 0.571 CB 0.839 Z: 8 5.852 1.665 0.252 0.705 1.000 0.857 CB 0.880 8 residues pruned to eliminate duplicates Z: 31 38.244 1.948 0.871 0.919 0.900 0.400 CB 1.499 31 residues pruned to eliminate duplicates Z: 9 2.481 1.480 0.300 0.197 0.750 0.375 N 0.872 Z: 11 15.504 2.076 0.514 0.498 0.900 0.700 CB 1.736 11 residues pruned to eliminate duplicates Z: 17 5.808 1.607 0.356 0.424 0.812 0.562 CB 0.887 17 residues pruned to eliminate duplicates Z: 11 20.861 2.072 0.586 0.846 0.900 0.800 CB 1.657 11 residues pruned to eliminate duplicates Z: 8 10.935 1.888 0.782 0.596 0.857 0.571 CB 1.307 8 residues pruned to eliminate duplicates Z: 10 10.070 1.764 0.248 0.693 1.000 0.889 CA 1.278 10 residues pruned to eliminate duplicates Z: 13 27.940 2.103 0.699 0.886 1.000 0.750 CB 1.629 13 residues pruned to eliminate duplicates Z: 13 9.420 1.815 0.311 0.503 0.833 0.750 CB 1.368 13 residues pruned to eliminate duplicates Z: 19 17.698 2.055 0.467 0.457 0.889 0.500 CB 1.627 19 residues pruned to eliminate duplicates Z: 11 11.522 1.574 0.553 0.789 0.900 0.700 CA 1.285 11 residues pruned to eliminate duplicates Z: 75 46.193 2.222 0.680 0.534 0.919 0.649 CB 1.513 75 residues pruned to eliminate duplicates Z: 7 2.296 1.352 0.213 0.367 0.833 0.500 CB 0.791 Z: 23 25.657 1.910 0.660 0.865 1.000 0.318 CB 1.263 23 residues pruned to eliminate duplicates Z: 10 13.358 1.990 0.464 0.625 1.000 0.667 CB 1.358 10 residues pruned to eliminate duplicates Z: 22 22.873 1.937 0.624 0.640 0.905 0.619 CB 1.538 21 residues pruned to eliminate duplicates Z: 17 15.777 2.014 0.303 0.643 0.875 0.625 CA 1.504 13 residues pruned to eliminate duplicates Z: 9 9.126 1.839 0.549 0.749 0.875 0.625 CB 1.037 9 residues pruned to eliminate duplicates Z: 6 4.879 1.535 0.596 0.580 0.800 0.800 CA 1.031 Z: 28 22.966 2.171 0.675 0.468 0.852 0.556 CB 1.473 28 residues pruned to eliminate duplicates Z: 15 15.478 1.727 0.506 0.903 1.000 0.786 CB 1.134 15 residues pruned to eliminate duplicates Z: 16 11.164 1.683 0.543 0.914 1.000 0.867 CB 0.785 16 residues pruned to eliminate duplicates Z: 6 4.910 1.496 0.809 0.308 1.000 0.800 N 1.004 Z: 17 18.454 1.986 0.619 0.872 0.812 0.312 CB 1.287 17 residues pruned to eliminate duplicates Z: 12 11.315 2.204 0.549 0.321 0.818 0.364 CB 1.489 12 residues pruned to eliminate duplicates Z: 37 19.099 2.087 0.551 0.402 0.806 0.389 CB 1.353 46 residues pruned to eliminate duplicates Z: 6 3.614 1.433 0.388 0.475 0.800 0.800 CA 1.041 Z: 29 50.995 2.196 1.012 0.923 0.964 0.643 CB 1.590 29 residues pruned to eliminate duplicates Z: 10 12.030 1.960 0.146 0.874 0.889 0.667 CA 1.461 10 residues pruned to eliminate duplicates Z: 11 17.264 1.901 0.818 0.777 0.900 0.800 CA 1.375 11 residues pruned to eliminate duplicates Z: 29 25.752 1.974 0.744 0.574 0.964 0.607 CB 1.365 29 residues pruned to eliminate duplicates Z: 22 21.637 1.934 0.561 0.679 0.905 0.524 CB 1.466 22 residues pruned to eliminate duplicates Z: 43 24.115 2.125 0.593 0.402 0.929 0.405 CB 1.312 43 residues pruned to eliminate duplicates Z: 10 7.265 1.548 0.715 0.545 1.000 0.778 CB 0.873 Z: 14 16.666 1.887 0.647 0.880 0.923 0.846 CB 1.168 14 residues pruned to eliminate duplicates Z: 22 8.388 1.725 0.587 0.349 0.714 0.476 CB 1.102 28 residues pruned to eliminate duplicates Z: 21 19.016 2.053 0.557 0.454 1.000 0.600 CB 1.394 21 residues pruned to eliminate duplicates Z: 6 2.313 1.180 0.496 0.553 0.600 0.600 CB 0.927 Z: 10 4.886 1.575 0.158 0.523 0.889 0.444 CB 0.982 7 residues pruned to eliminate duplicates 6 1.991 1.375 0.051 0.299 1.000 0.400 C 0.771 ? Z: 6 9.235 1.633 0.845 0.678 1.000 0.800 CA 1.163 6 residues pruned to eliminate duplicates Z: 6 2.673 1.143 0.517 0.408 1.000 0.600 O 0.759 Z: 12 13.378 2.003 1.089 0.444 0.727 0.545 CB 1.405 12 residues pruned to eliminate duplicates Z: 6 2.973 1.235 0.053 0.706 1.000 0.800 O 0.848 Z: 28 24.112 1.977 0.878 0.720 0.778 0.296 CB 1.318 28 residues pruned to eliminate duplicates Z: 9 3.421 1.412 0.403 0.257 0.750 0.375 C 1.075 Z: 7 12.532 1.931 0.876 0.813 1.000 0.667 CA 1.075 7 residues pruned to eliminate duplicates Z: 11 6.649 1.879 -0.003 0.589 0.900 0.900 CB 1.145 11 residues pruned to eliminate duplicates Z: 26 24.048 2.109 0.521 0.596 0.920 0.520 CB 1.486 26 residues pruned to eliminate duplicates Z: 12 14.009 1.861 0.650 0.872 1.000 0.909 CB 1.003 12 residues pruned to eliminate duplicates Z: 24 27.347 1.944 0.702 0.869 0.957 0.391 CB 1.315 24 residues pruned to eliminate duplicates Z: 21 14.345 1.865 0.613 0.884 0.800 0.350 CB 0.964 21 residues pruned to eliminate duplicates Z: 11 3.115 1.385 0.305 0.281 0.700 0.400 CB 0.996 Z: 24 39.638 1.984 0.970 0.946 0.957 0.435 CB 1.529 23 residues pruned to eliminate duplicates Z: 9 14.464 1.802 0.630 0.761 0.875 0.625 CA 1.577 9 residues pruned to eliminate duplicates Z: 7 9.056 1.723 0.501 0.677 1.000 0.833 O 1.214 7 residues pruned to eliminate duplicates Z: 14 8.224 1.667 0.410 0.443 0.846 0.308 CB 1.217 14 residues pruned to eliminate duplicates Z: 10 2.763 1.562 0.392 0.445 0.667 0.444 CB 0.672 Z: 13 5.153 1.360 0.513 0.349 0.833 0.417 CB 1.022 12 residues pruned to eliminate duplicates Z: 14 16.843 1.719 0.331 0.895 1.000 0.615 CA 1.463 14 residues pruned to eliminate duplicates Z: 22 26.381 1.991 0.708 0.821 0.905 0.762 CA 1.416 22 residues pruned to eliminate duplicates Z: 8 2.582 1.436 0.688 0.408 0.714 0.714 CB 0.621 6 residues pruned to eliminate duplicates Z: 8 3.489 1.786 0.311 0.248 0.714 0.286 CB 1.054 Z: 23 24.130 1.938 0.675 0.876 0.909 0.591 CB 1.267 23 residues pruned to eliminate duplicates Z: 6 4.375 1.374 0.687 0.649 0.800 0.800 N 0.918 Z: 6 3.226 1.746 0.378 0.299 0.600 0.600 N 1.251 Z: 13 12.517 1.716 0.470 0.911 0.917 0.500 CB 1.107 13 residues pruned to eliminate duplicates Z: 12 14.608 1.700 0.532 0.883 1.000 0.545 CB 1.224 12 residues pruned to eliminate duplicates Z: 15 34.127 2.080 1.248 0.861 1.000 0.500 CB 1.433 15 residues pruned to eliminate duplicates Z: 8 12.066 1.881 0.988 0.581 1.000 0.571 CA 1.128 8 residues pruned to eliminate duplicates Z: 14 19.347 1.893 0.600 0.895 1.000 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 6 3.839 1.298 0.403 0.657 1.000 0.800 CB 0.815 Z: 7 7.116 1.601 0.456 0.803 0.667 0.333 CB 1.434 7 residues pruned to eliminate duplicates Z: 15 12.712 1.836 0.677 0.500 0.857 0.643 CB 1.287 15 residues pruned to eliminate duplicates Z: 34 18.538 2.145 0.407 0.370 0.818 0.545 CB 1.502 34 residues pruned to eliminate duplicates Z: 40 35.959 2.271 0.583 0.597 0.923 0.641 CB 1.581 40 residues pruned to eliminate duplicates Z: 8 3.767 1.346 0.474 0.471 0.857 0.571 CB 0.862 Z: 23 11.260 1.989 0.585 0.408 0.864 0.409 CB 0.971 23 residues pruned to eliminate duplicates Z: 11 10.087 1.890 0.143 0.890 1.000 0.800 CB 1.062 11 residues pruned to eliminate duplicates Z: 18 15.802 1.785 0.116 0.930 1.000 0.882 CB 1.345 18 residues pruned to eliminate duplicates Z: 7 5.356 1.578 0.378 0.408 0.833 0.500 N 1.328 Z: 23 20.492 1.972 0.634 0.677 0.864 0.727 CB 1.333 23 residues pruned to eliminate duplicates Z: 6 13.496 2.125 0.623 0.752 1.000 0.800 CB 1.397 6 residues pruned to eliminate duplicates Z: 13 10.312 1.897 0.496 0.513 0.750 0.500 CB 1.381 13 residues pruned to eliminate duplicates Z: 14 14.235 1.881 0.512 0.547 0.846 0.538 CB 1.567 14 residues pruned to eliminate duplicates Z: 12 6.306 1.738 0.220 0.556 0.818 0.545 CB 1.037 12 residues pruned to eliminate duplicates Z: 7 2.825 1.491 -0.040 0.344 0.833 0.833 CB 1.145 Z: 25 18.172 2.114 0.759 0.426 0.875 0.625 CB 1.230 25 residues pruned to eliminate duplicates 7 1.618 1.687 0.279 0.249 0.833 0.500 CB 0.491 ? Z: 6 15.891 2.004 0.636 0.819 1.000 0.800 CA 1.644 6 residues pruned to eliminate duplicates Z: 27 30.350 1.913 0.980 0.796 0.923 0.462 CB 1.314 27 residues pruned to eliminate duplicates Z: 6 7.166 1.914 0.000 0.792 1.000 0.600 CA 1.296 7 residues pruned to eliminate duplicates Z: 13 12.097 1.906 0.510 0.441 1.000 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 36 31.402 2.066 0.713 0.654 0.914 0.714 CB 1.421 36 residues pruned to eliminate duplicates Z: 7 2.599 1.352 0.129 0.347 0.833 0.333 CB 0.985 Z: 10 5.515 1.636 0.342 0.384 0.778 0.333 CB 1.217 10 residues pruned to eliminate duplicates Z: 7 3.644 1.316 0.680 0.547 0.833 0.500 N 0.772 Z: 53 24.857 1.944 0.580 0.509 0.865 0.615 CB 1.285 53 residues pruned to eliminate duplicates Z: 20 23.941 1.959 0.736 0.696 1.000 0.474 CB 1.351 20 residues pruned to eliminate duplicates Z: 7 3.637 1.538 0.396 0.250 0.833 0.333 CB 1.107 Z: 8 2.454 1.509 0.140 0.356 0.714 0.429 CB 0.882 8 residues pruned to eliminate duplicates Z: 7 4.369 1.287 0.783 0.394 1.000 0.667 N 0.869 Z: 22 26.844 2.227 0.347 0.926 1.000 0.905 CA 1.369 22 residues pruned to eliminate duplicates Z: 14 13.683 1.700 0.717 0.750 0.923 0.462 CB 1.126 13 residues pruned to eliminate duplicates 6 1.271 1.193 0.169 0.631 0.800 0.600 CB 0.451 ? Z: 6 3.929 1.514 0.372 0.496 0.800 0.800 CB 1.062 6 residues pruned to eliminate duplicates Z: 12 3.660 1.451 0.394 0.216 0.636 0.182 CB 1.198 Z: 10 4.870 1.380 0.359 0.463 0.889 0.444 CB 1.011 Z: 23 17.575 1.911 0.526 0.624 0.909 0.727 CB 1.258 24 residues pruned to eliminate duplicates Z: 6 2.861 1.393 0.393 0.725 1.000 0.800 CB 0.538 Z: 12 10.366 1.688 0.088 0.823 1.000 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 26 36.331 1.983 0.853 0.913 0.920 0.320 CB 1.520 26 residues pruned to eliminate duplicates Z: 7 4.773 1.375 0.188 0.784 1.000 0.833 C 0.929 Z: 12 3.572 1.376 0.470 0.368 0.818 0.455 C 0.750 Z: 24 28.790 2.001 0.487 0.855 1.000 0.783 CB 1.489 24 residues pruned to eliminate duplicates Z: 7 3.053 1.194 0.764 0.302 1.000 0.667 CB 0.738 Z: 7 9.656 1.861 0.073 0.868 1.000 1.000 CB 1.443 7 residues pruned to eliminate duplicates Z: 15 11.814 1.884 0.212 0.744 0.857 0.357 CB 1.297 15 residues pruned to eliminate duplicates Z: 40 23.804 1.995 0.514 0.566 0.872 0.564 CB 1.358 40 residues pruned to eliminate duplicates Z: 21 25.267 1.844 0.647 0.792 0.900 0.650 CB 1.599 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.584 1.728 -0.041 0.561 0.833 0.667 N 1.277 7 residues pruned to eliminate duplicates Z: 25 10.075 1.607 0.511 0.473 0.750 0.375 CB 1.161 25 residues pruned to eliminate duplicates Z: 37 14.223 1.672 0.719 0.560 0.694 0.333 CB 1.120 37 residues pruned to eliminate duplicates Z: 16 10.842 1.528 0.437 0.651 1.000 0.667 CB 1.108 15 residues pruned to eliminate duplicates Z: 12 11.870 1.565 0.453 0.860 1.000 0.455 CB 1.157 12 residues pruned to eliminate duplicates Z: 13 12.976 1.625 0.381 0.758 1.000 0.583 CB 1.327 14 residues pruned to eliminate duplicates Z: 13 10.821 1.643 0.227 0.909 1.000 0.667 CB 1.100 13 residues pruned to eliminate duplicates Z: 13 11.921 1.646 0.445 0.787 1.000 0.583 CB 1.125 13 residues pruned to eliminate duplicates Z: 13 12.081 1.678 0.496 0.822 0.917 0.500 CB 1.146 13 residues pruned to eliminate duplicates Z: 9 8.565 1.709 0.432 0.553 0.875 0.625 N 1.343 9 residues pruned to eliminate duplicates Z: 6 5.707 2.027 -0.195 0.538 1.000 1.000 CA 1.507 6 residues pruned to eliminate duplicates Z: 8 10.278 2.104 0.177 0.575 1.000 0.714 CB 1.459 8 residues pruned to eliminate duplicates Z: 17 18.592 1.814 0.422 0.890 1.000 0.875 CB 1.297 16 residues pruned to eliminate duplicates Z: 18 18.836 1.808 0.473 0.890 1.000 1.000 CB 1.234 18 residues pruned to eliminate duplicates Z: 15 14.077 1.877 0.499 0.872 0.857 0.571 CB 1.137 15 residues pruned to eliminate duplicates Z: 26 18.701 1.888 0.466 0.624 0.920 0.680 CB 1.307 26 residues pruned to eliminate duplicates Z: 12 18.949 2.037 0.679 0.881 0.909 0.818 CB 1.330 12 residues pruned to eliminate duplicates Z: 36 20.065 1.929 0.304 0.611 0.857 0.571 CB 1.417 36 residues pruned to eliminate duplicates Z: 16 15.841 1.825 0.442 0.892 0.933 0.600 CB 1.196 16 residues pruned to eliminate duplicates Z: 12 19.236 2.036 0.687 0.898 0.909 0.727 CB 1.329 12 residues pruned to eliminate duplicates Z: 18 17.396 1.920 0.568 0.654 0.941 0.765 CB 1.290 18 residues pruned to eliminate duplicates Z: 14 20.527 1.937 0.574 0.806 1.000 0.692 CB 1.430 14 residues pruned to eliminate duplicates Z: 14 14.628 1.982 0.416 0.730 0.923 0.692 CB 1.273 14 residues pruned to eliminate duplicates Z: 20 17.741 1.846 0.458 0.592 1.000 0.737 CB 1.386 20 residues pruned to eliminate duplicates Z: 26 19.413 1.919 0.481 0.627 0.880 0.720 CB 1.378 26 residues pruned to eliminate duplicates Z: 31 20.029 1.972 0.343 0.577 0.867 0.467 CB 1.479 31 residues pruned to eliminate duplicates Z: 38 20.244 1.845 0.361 0.551 0.919 0.486 CB 1.371 38 residues pruned to eliminate duplicates Z: 33 20.235 1.941 0.465 0.589 0.875 0.688 CB 1.320 33 residues pruned to eliminate duplicates Z: 34 18.453 1.872 0.379 0.551 0.818 0.606 CA 1.447 34 residues pruned to eliminate duplicates Z: 18 7.727 1.739 0.500 0.320 0.706 0.588 CB 1.242 18 residues pruned to eliminate duplicates Z: 8 7.559 1.978 0.301 0.463 0.857 0.571 CA 1.344 8 residues pruned to eliminate duplicates Z: 34 18.388 1.912 0.391 0.545 0.848 0.576 CB 1.357 34 residues pruned to eliminate duplicates Z: 16 13.071 1.765 0.483 0.535 0.867 0.667 CB 1.438 16 residues pruned to eliminate duplicates Z: 9 20.677 2.074 0.612 0.835 1.000 0.875 CA 1.638 10 residues pruned to eliminate duplicates Z: 11 16.183 1.858 0.749 0.846 1.000 0.600 CA 1.170 11 residues pruned to eliminate duplicates Z: 9 9.853 1.984 0.442 0.665 0.875 0.500 CA 1.194 9 residues pruned to eliminate duplicates Z: 6 16.182 1.977 1.019 0.807 1.000 0.800 CB 1.386 6 residues pruned to eliminate duplicates Z: 10 17.168 2.011 0.728 0.827 0.889 0.667 CB 1.396 10 residues pruned to eliminate duplicates Z: 37 22.935 1.869 0.503 0.596 0.889 0.556 CB 1.396 37 residues pruned to eliminate duplicates Z: 12 3.959 1.783 0.161 0.230 0.909 0.364 CB 0.869 12 residues pruned to eliminate duplicates Z: 12 7.227 1.831 0.532 0.493 1.000 0.545 CB 0.782 15 residues pruned to eliminate duplicates Z: 6 3.336 1.125 0.902 0.444 1.000 0.400 C 0.738 6 residues pruned to eliminate duplicates Z: 11 7.041 1.893 0.342 0.464 0.900 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 19 6.462 1.668 0.397 0.397 0.778 0.556 CB 0.937 19 residues pruned to eliminate duplicates Z: 11 7.007 1.883 0.476 0.421 0.900 0.500 CB 0.961 10 residues pruned to eliminate duplicates Z: 6 5.377 1.906 1.141 0.150 1.000 0.400 CB 0.906 Z: 9 10.542 2.029 0.322 0.642 1.000 0.500 CB 1.217 10 residues pruned to eliminate duplicates Z: 7 8.151 1.919 0.359 0.546 1.000 0.667 CA 1.219 7 residues pruned to eliminate duplicates Z: 107 47.953 2.160 0.525 0.587 0.915 0.632 CB 1.421 118 residues pruned to eliminate duplicates Z: 84 47.325 2.181 0.510 0.613 0.952 0.639 CB 1.488 84 residues pruned to eliminate duplicates Z: 21 6.891 1.773 0.253 0.235 0.950 0.600 CB 0.993 Z: 7 7.538 2.118 0.151 0.705 1.000 0.500 CA 1.048 7 residues pruned to eliminate duplicates Z: 66 45.922 2.203 0.636 0.650 0.908 0.738 CB 1.513 87 residues pruned to eliminate duplicates Z: 48 25.216 2.089 0.595 0.405 0.915 0.574 CB 1.334 48 residues pruned to eliminate duplicates Z: 6 15.456 2.107 0.699 0.678 1.000 0.800 CB 1.640 6 residues pruned to eliminate duplicates Z: 9 5.201 1.734 0.207 0.522 0.875 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 10 5.062 1.706 0.277 0.558 0.778 0.778 CB 0.941 10 residues pruned to eliminate duplicates Z: 8 7.698 2.081 0.303 0.509 0.714 0.714 CB 1.489 8 residues pruned to eliminate duplicates Z: 15 18.455 1.714 0.352 0.899 1.000 0.786 CB 1.522 14 residues pruned to eliminate duplicates Z: 14 13.513 1.745 0.225 0.932 1.000 0.923 CB 1.225 14 residues pruned to eliminate duplicates Z: 14 14.096 1.800 0.368 0.773 0.923 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 14 8.186 1.700 0.252 0.519 0.846 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 18 13.207 1.684 0.427 0.649 0.941 0.647 CB 1.233 18 residues pruned to eliminate duplicates Z: 11 7.756 1.845 0.191 0.505 0.800 0.700 CA 1.389 11 residues pruned to eliminate duplicates Z: 15 14.126 1.776 0.351 0.747 1.000 0.500 CB 1.262 15 residues pruned to eliminate duplicates Z: 16 15.694 1.724 0.343 0.843 1.000 0.867 CB 1.303 16 residues pruned to eliminate duplicates Z: 16 13.174 1.695 0.353 0.791 1.000 0.667 CB 1.149 15 residues pruned to eliminate duplicates Z: 13 12.449 1.784 0.360 0.910 0.917 0.583 CB 1.146 13 residues pruned to eliminate duplicates Z: 18 14.309 1.693 0.416 0.688 1.000 0.706 CB 1.218 18 residues pruned to eliminate duplicates Z: 16 16.159 1.697 0.390 0.788 1.000 0.733 CA 1.373 16 residues pruned to eliminate duplicates Z: 14 18.965 1.758 0.400 0.926 1.000 0.846 CB 1.498 15 residues pruned to eliminate duplicates Z: 18 19.483 1.833 0.355 0.869 1.000 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 21 20.228 1.906 0.535 0.645 0.950 0.550 CB 1.421 21 residues pruned to eliminate duplicates Z: 22 18.131 1.873 0.283 0.681 0.952 0.476 CB 1.464 22 residues pruned to eliminate duplicates Z: 24 17.780 1.864 0.430 0.649 0.826 0.478 CB 1.464 24 residues pruned to eliminate duplicates Z: 20 22.964 1.919 0.679 0.731 0.895 0.632 CB 1.484 19 residues pruned to eliminate duplicates Z: 17 25.966 1.929 0.669 0.880 0.938 0.750 CA 1.558 17 residues pruned to eliminate duplicates Z: 15 24.186 1.979 0.617 0.907 0.929 0.714 CB 1.547 15 residues pruned to eliminate duplicates Z: 21 18.816 1.821 0.486 0.715 0.850 0.600 CB 1.506 19 residues pruned to eliminate duplicates Z: 16 21.373 1.947 0.608 0.876 0.933 0.400 CB 1.373 18 residues pruned to eliminate duplicates Z: 16 23.465 1.947 0.562 0.852 0.933 0.600 CB 1.578 16 residues pruned to eliminate duplicates Z: 22 18.606 1.879 0.594 0.671 0.857 0.476 CB 1.350 22 residues pruned to eliminate duplicates Z: 20 20.071 1.888 0.478 0.743 0.947 0.737 CB 1.401 20 residues pruned to eliminate duplicates Z: 20 23.616 1.939 0.529 0.745 0.947 0.684 CB 1.549 20 residues pruned to eliminate duplicates Z: 18 17.428 1.964 0.521 0.738 0.765 0.529 CB 1.495 18 residues pruned to eliminate duplicates Z: 23 19.309 1.877 0.520 0.689 0.818 0.545 CB 1.483 23 residues pruned to eliminate duplicates Z: 24 18.751 1.834 0.306 0.683 0.957 0.826 CB 1.444 24 residues pruned to eliminate duplicates Z: 23 18.914 1.876 0.325 0.686 1.000 0.636 CB 1.368 19 residues pruned to eliminate duplicates Z: 9 15.740 1.742 0.669 0.826 1.000 0.750 CB 1.443 9 residues pruned to eliminate duplicates Z: 10 12.543 1.599 0.622 0.882 1.000 0.889 CB 1.166 10 residues pruned to eliminate duplicates Z: 9 15.845 1.716 0.677 0.845 1.000 0.625 CB 1.448 10 residues pruned to eliminate duplicates Z: 9 15.322 1.708 0.716 0.854 1.000 1.000 CB 1.366 9 residues pruned to eliminate duplicates Z: 9 12.320 1.639 0.573 0.838 1.000 0.750 CB 1.263 9 residues pruned to eliminate duplicates Z: 12 6.997 1.469 0.736 0.502 0.818 0.455 CB 1.008 12 residues pruned to eliminate duplicates Z: 10 7.124 1.672 0.466 0.609 0.778 0.667 CB 1.123 10 residues pruned to eliminate duplicates Z: 7 3.475 1.605 0.305 0.298 0.667 0.333 CA 1.274 7 residues pruned to eliminate duplicates Z: 7 3.653 1.498 0.222 0.405 0.667 0.167 CA 1.351 7 residues pruned to eliminate duplicates Z: 6 5.832 1.618 0.400 0.534 0.800 0.400 C 1.392 6 residues pruned to eliminate duplicates Z: 9 4.573 1.572 0.160 0.362 0.750 0.250 CB 1.371 9 residues pruned to eliminate duplicates Z: 14 17.997 1.967 0.556 0.717 1.000 0.692 CB 1.340 14 residues pruned to eliminate duplicates Z: 16 16.477 1.901 0.610 0.676 0.867 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 16 17.183 1.944 0.630 0.657 0.867 0.400 CB 1.397 16 residues pruned to eliminate duplicates Z: 13 19.634 2.031 0.550 0.750 0.917 0.583 CB 1.571 13 residues pruned to eliminate duplicates Z: 19 15.207 1.855 0.596 0.564 0.944 0.556 CB 1.205 14 residues pruned to eliminate duplicates Z: 12 22.216 2.013 0.714 0.881 0.909 0.545 CB 1.547 12 residues pruned to eliminate duplicates Z: 15 15.311 1.977 0.708 0.634 0.857 0.500 CB 1.246 15 residues pruned to eliminate duplicates Z: 14 19.407 2.032 0.693 0.749 0.923 0.538 CB 1.357 14 residues pruned to eliminate duplicates Z: 14 15.160 2.011 0.726 0.693 0.846 0.615 CB 1.200 14 residues pruned to eliminate duplicates Z: 14 18.127 1.937 0.759 0.688 0.923 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 13 19.352 1.960 0.786 0.813 0.917 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 32 15.354 2.019 0.411 0.415 0.871 0.516 CB 1.215 32 residues pruned to eliminate duplicates Z: 32 24.507 2.050 0.730 0.453 0.839 0.290 CB 1.553 32 residues pruned to eliminate duplicates Z: 30 25.183 2.152 0.479 0.479 0.931 0.586 CB 1.613 30 residues pruned to eliminate duplicates Z: 23 14.628 2.056 0.445 0.438 0.818 0.682 CB 1.368 23 residues pruned to eliminate duplicates Z: 10 4.785 1.780 0.987 0.227 0.556 0.444 CB 1.116 10 residues pruned to eliminate duplicates Z: 31 27.449 2.202 0.678 0.529 0.833 0.533 CB 1.581 31 residues pruned to eliminate duplicates Z: 30 28.286 2.226 0.722 0.515 0.862 0.690 CB 1.565 30 residues pruned to eliminate duplicates Z: 29 32.664 2.200 0.860 0.533 0.929 0.536 CB 1.572 56 residues pruned to eliminate duplicates Z: 12 22.001 2.062 0.896 0.664 0.909 0.636 CB 1.605 12 residues pruned to eliminate duplicates Z: 30 30.161 2.206 0.693 0.512 0.966 0.517 CB 1.535 32 residues pruned to eliminate duplicates Z: 9 25.061 2.213 1.020 0.818 0.875 0.500 CA 1.720 9 residues pruned to eliminate duplicates Z: 30 28.375 2.208 0.661 0.485 0.931 0.483 CB 1.565 30 residues pruned to eliminate duplicates Z: 29 31.429 2.220 0.706 0.534 0.929 0.714 CB 1.633 29 residues pruned to eliminate duplicates Z: 29 26.842 2.174 0.602 0.503 0.964 0.536 CB 1.506 29 residues pruned to eliminate duplicates Z: 37 22.415 2.101 0.652 0.438 0.778 0.500 CB 1.475 43 residues pruned to eliminate duplicates Z: 31 27.869 2.154 0.646 0.551 0.900 0.633 CB 1.517 31 residues pruned to eliminate duplicates Z: 31 27.291 2.210 0.636 0.494 0.933 0.600 CB 1.485 31 residues pruned to eliminate duplicates Z: 32 29.007 2.171 0.760 0.498 0.903 0.484 CB 1.512 43 residues pruned to eliminate duplicates Z: 9 5.317 1.717 0.059 0.474 0.875 0.375 N 1.213 9 residues pruned to eliminate duplicates Z: 30 26.893 2.242 0.532 0.487 0.897 0.621 CB 1.643 30 residues pruned to eliminate duplicates Z: 28 28.103 2.212 0.598 0.523 0.963 0.444 CB 1.552 28 residues pruned to eliminate duplicates Z: 30 20.481 2.099 0.609 0.420 0.862 0.483 CB 1.420 30 residues pruned to eliminate duplicates Z: 43 23.390 2.062 0.583 0.461 0.881 0.524 CB 1.306 43 residues pruned to eliminate duplicates Z: 46 30.467 2.153 0.693 0.507 0.844 0.489 CB 1.464 31 residues pruned to eliminate duplicates Z: 10 16.648 1.876 0.313 0.880 1.000 1.000 CA 1.633 10 residues pruned to eliminate duplicates Z: 20 16.117 2.068 0.549 0.540 0.895 0.632 CB 1.241 20 residues pruned to eliminate duplicates Z: 11 11.885 1.904 0.339 0.788 0.900 0.600 CB 1.271 11 residues pruned to eliminate duplicates Z: 21 16.522 1.878 0.535 0.574 0.900 0.500 CB 1.326 21 residues pruned to eliminate duplicates Z: 14 9.089 1.903 0.341 0.492 0.769 0.462 CB 1.294 14 residues pruned to eliminate duplicates Z: 24 15.871 1.984 0.450 0.485 0.826 0.522 CB 1.414 24 residues pruned to eliminate duplicates Z: 20 16.591 1.999 0.618 0.524 0.842 0.474 CB 1.365 20 residues pruned to eliminate duplicates Z: 22 16.081 2.021 0.574 0.453 0.857 0.476 CB 1.350 22 residues pruned to eliminate duplicates Z: 21 27.615 2.012 0.743 0.827 0.850 0.650 CA 1.562 24 residues pruned to eliminate duplicates Z: 22 28.250 1.914 0.468 0.868 1.000 0.619 CB 1.604 22 residues pruned to eliminate duplicates Z: 12 9.911 1.952 0.541 0.455 0.818 0.455 CB 1.271 12 residues pruned to eliminate duplicates Z: 11 8.253 1.923 0.643 0.406 0.900 0.500 CB 1.013 11 residues pruned to eliminate duplicates Z: 10 11.252 1.985 0.699 0.508 1.000 0.556 CB 1.103 10 residues pruned to eliminate duplicates Z: 21 17.993 1.939 0.661 0.501 0.950 0.550 CB 1.314 21 residues pruned to eliminate duplicates Z: 19 16.424 1.955 0.783 0.552 0.889 0.556 CB 1.187 16 residues pruned to eliminate duplicates Z: 6 3.276 1.495 0.403 0.343 0.800 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 30 27.400 2.022 0.528 0.636 0.966 0.724 CB 1.502 30 residues pruned to eliminate duplicates Z: 16 25.373 2.014 0.608 0.778 0.933 0.600 CB 1.696 16 residues pruned to eliminate duplicates Z: 29 26.093 2.060 0.578 0.581 0.964 0.714 CB 1.456 30 residues pruned to eliminate duplicates Z: 14 26.465 2.016 0.690 0.834 1.000 0.692 CB 1.614 14 residues pruned to eliminate duplicates Z: 29 25.022 2.077 0.589 0.584 0.929 0.607 CB 1.425 29 residues pruned to eliminate duplicates Z: 28 26.632 2.098 0.588 0.593 0.963 0.593 CB 1.462 29 residues pruned to eliminate duplicates Z: 15 21.857 1.985 0.477 0.877 1.000 0.786 CB 1.447 15 residues pruned to eliminate duplicates Z: 27 27.263 2.096 0.559 0.607 0.962 0.577 CB 1.538 28 residues pruned to eliminate duplicates Z: 14 26.715 2.026 0.726 0.884 0.923 0.846 N 1.659 14 residues pruned to eliminate duplicates Z: 29 23.073 2.054 0.549 0.583 0.857 0.643 CB 1.477 29 residues pruned to eliminate duplicates Z: 29 28.066 2.087 0.643 0.614 0.964 0.536 CB 1.441 28 residues pruned to eliminate duplicates Z: 15 23.000 1.923 0.662 0.890 0.929 0.714 CB 1.490 15 residues pruned to eliminate duplicates Z: 27 28.727 2.098 0.655 0.617 0.923 0.692 CB 1.574 26 residues pruned to eliminate duplicates Z: 14 26.745 2.199 0.673 0.849 0.923 0.769 CB 1.618 14 residues pruned to eliminate duplicates Z: 28 26.027 2.112 0.583 0.617 0.926 0.630 CB 1.448 28 residues pruned to eliminate duplicates Z: 29 25.992 2.095 0.510 0.603 0.964 0.607 CB 1.460 29 residues pruned to eliminate duplicates Z: 27 27.843 2.102 0.593 0.579 0.962 0.654 CB 1.572 27 residues pruned to eliminate duplicates Z: 30 24.770 2.033 0.588 0.579 0.931 0.552 CB 1.417 30 residues pruned to eliminate duplicates Z: 29 25.647 2.099 0.574 0.576 0.929 0.643 CB 1.467 29 residues pruned to eliminate duplicates Z: 27 24.344 2.062 0.644 0.594 0.885 0.577 CB 1.456 27 residues pruned to eliminate duplicates Z: 28 28.380 2.074 0.722 0.660 0.926 0.704 CB 1.425 28 residues pruned to eliminate duplicates Z: 27 23.030 2.045 0.559 0.548 0.923 0.269 CB 1.465 27 residues pruned to eliminate duplicates Z: 30 24.736 2.000 0.672 0.593 0.931 0.448 CB 1.349 30 residues pruned to eliminate duplicates Z: 21 22.456 2.052 0.786 0.551 0.950 0.450 CB 1.373 21 residues pruned to eliminate duplicates Z: 31 23.854 2.035 0.489 0.598 0.900 0.667 CB 1.455 30 residues pruned to eliminate duplicates Z: 25 24.646 1.870 0.500 0.797 0.917 0.667 CB 1.510 25 residues pruned to eliminate duplicates Z: 24 23.430 1.820 0.762 0.794 0.870 0.696 CB 1.353 24 residues pruned to eliminate duplicates Z: 25 24.168 1.887 0.500 0.836 0.917 0.667 CB 1.423 25 residues pruned to eliminate duplicates Z: 15 18.808 1.913 0.827 0.781 0.714 0.429 CB 1.572 15 residues pruned to eliminate duplicates Z: 22 26.052 1.924 0.755 0.769 0.952 0.667 CB 1.393 22 residues pruned to eliminate duplicates Z: 16 20.723 1.791 0.813 0.763 0.867 0.533 CA 1.505 16 residues pruned to eliminate duplicates Z: 22 23.022 1.747 0.920 0.672 0.952 0.524 CB 1.342 22 residues pruned to eliminate duplicates Z: 18 19.686 1.793 0.931 0.688 0.824 0.353 CB 1.410 18 residues pruned to eliminate duplicates Z: 36 25.769 1.881 0.679 0.625 0.914 0.457 CB 1.341 36 residues pruned to eliminate duplicates Z: 24 24.350 1.925 0.601 0.815 0.913 0.261 CB 1.373 24 residues pruned to eliminate duplicates Z: 37 28.906 2.006 0.641 0.724 0.861 0.556 CB 1.389 37 residues pruned to eliminate duplicates Z: 38 32.782 1.937 0.729 0.764 0.919 0.514 CB 1.385 38 residues pruned to eliminate duplicates Z: 36 29.802 1.977 0.656 0.724 0.914 0.400 CB 1.375 36 residues pruned to eliminate duplicates Z: 49 26.551 1.947 0.414 0.656 0.917 0.562 CB 1.313 49 residues pruned to eliminate duplicates Z: 25 23.515 1.922 0.644 0.801 0.833 0.458 CB 1.402 25 residues pruned to eliminate duplicates Z: 55 33.235 1.999 0.540 0.698 0.889 0.667 CB 1.379 56 residues pruned to eliminate duplicates Z: 24 25.666 1.908 0.836 0.894 0.826 0.391 CB 1.327 24 residues pruned to eliminate duplicates Z: 55 39.908 2.007 0.619 0.742 0.926 0.611 CB 1.454 54 residues pruned to eliminate duplicates Z: 24 25.914 1.971 0.613 0.857 0.870 0.478 CB 1.440 24 residues pruned to eliminate duplicates Z: 23 25.597 1.956 0.690 0.860 0.864 0.500 CB 1.405 23 residues pruned to eliminate duplicates Z: 54 35.388 1.993 0.550 0.740 0.906 0.491 CB 1.401 54 residues pruned to eliminate duplicates Z: 32 18.569 1.927 0.538 0.671 0.871 0.323 CB 1.103 32 residues pruned to eliminate duplicates Z: 37 32.108 1.973 0.765 0.745 0.917 0.500 CB 1.347 37 residues pruned to eliminate duplicates Z: 55 34.128 1.979 0.586 0.722 0.852 0.500 CB 1.422 55 residues pruned to eliminate duplicates Z: 37 34.342 1.994 0.777 0.729 0.917 0.361 CB 1.434 37 residues pruned to eliminate duplicates Z: 30 25.118 1.965 0.704 0.716 0.897 0.414 CB 1.278 30 residues pruned to eliminate duplicates Z: 36 27.773 1.990 0.674 0.724 0.829 0.514 CB 1.389 36 residues pruned to eliminate duplicates Z: 31 22.776 2.071 0.345 0.654 0.867 0.733 CB 1.493 31 residues pruned to eliminate duplicates Z: 51 37.784 2.013 0.644 0.726 0.900 0.340 CB 1.463 51 residues pruned to eliminate duplicates Z: 15 15.420 1.982 0.669 0.506 0.857 0.571 CB 1.445 15 residues pruned to eliminate duplicates Z: 57 32.514 1.968 0.602 0.691 0.839 0.589 CB 1.379 57 residues pruned to eliminate duplicates Z: 37 31.728 1.986 0.705 0.753 0.889 0.556 CB 1.402 37 residues pruned to eliminate duplicates Z: 29 26.044 1.942 0.517 0.648 1.000 0.536 CB 1.456 29 residues pruned to eliminate duplicates Z: 16 14.256 2.053 0.689 0.493 0.733 0.533 CB 1.459 16 residues pruned to eliminate duplicates Z: 56 35.110 1.983 0.579 0.718 0.909 0.455 CB 1.366 56 residues pruned to eliminate duplicates Z: 47 27.526 1.948 0.706 0.640 0.826 0.565 CB 1.296 47 residues pruned to eliminate duplicates Z: 56 35.680 1.949 0.633 0.701 0.891 0.600 CB 1.413 56 residues pruned to eliminate duplicates Z: 22 16.546 1.992 0.362 0.607 0.905 0.667 CB 1.329 22 residues pruned to eliminate duplicates Z: 43 26.991 2.046 0.373 0.688 0.857 0.643 CB 1.456 43 residues pruned to eliminate duplicates Z: 21 17.005 1.994 0.301 0.648 0.850 0.600 CB 1.503 21 residues pruned to eliminate duplicates Z: 16 19.136 1.993 0.427 0.675 0.933 0.667 CB 1.585 16 residues pruned to eliminate duplicates Z: 18 17.206 2.072 0.211 0.744 0.882 0.765 CB 1.515 18 residues pruned to eliminate duplicates Z: 20 14.672 1.972 0.325 0.691 0.842 0.737 CB 1.284 20 residues pruned to eliminate duplicates Z: 18 19.763 2.037 0.282 0.727 0.941 0.588 CB 1.588 18 residues pruned to eliminate duplicates Z: 18 19.417 1.987 0.307 0.761 0.941 0.706 CB 1.528 18 residues pruned to eliminate duplicates Z: 22 17.345 1.874 0.400 0.638 0.857 0.667 CB 1.480 22 residues pruned to eliminate duplicates Z: 18 22.507 2.057 0.472 0.788 0.882 0.647 CB 1.587 19 residues pruned to eliminate duplicates Z: 17 22.009 1.967 0.482 0.864 0.938 0.688 CB 1.476 17 residues pruned to eliminate duplicates Z: 55 33.538 1.977 0.525 0.693 0.907 0.630 CB 1.398 55 residues pruned to eliminate duplicates Z: 55 36.095 1.993 0.557 0.725 0.926 0.648 CB 1.396 55 residues pruned to eliminate duplicates Z: 30 20.005 1.999 0.547 0.630 0.793 0.690 CB 1.341 30 residues pruned to eliminate duplicates Z: 55 39.559 2.000 0.712 0.709 0.963 0.463 CB 1.351 55 residues pruned to eliminate duplicates Z: 17 27.651 1.939 0.592 0.944 1.000 0.875 CB 1.551 15 residues pruned to eliminate duplicates Z: 19 17.106 1.950 0.301 0.718 0.944 0.778 CB 1.381 19 residues pruned to eliminate duplicates Z: 20 19.210 1.971 0.535 0.687 0.895 0.737 CB 1.371 16 residues pruned to eliminate duplicates Z: 11 13.240 1.932 0.329 0.820 0.900 0.600 N 1.373 11 residues pruned to eliminate duplicates Z: 20 20.575 1.993 0.559 0.709 0.947 0.737 CB 1.326 21 residues pruned to eliminate duplicates Z: 15 20.044 1.937 0.444 0.857 1.000 0.714 CB 1.411 15 residues pruned to eliminate duplicates Z: 21 19.084 1.974 0.515 0.654 0.900 0.800 CB 1.375 21 residues pruned to eliminate duplicates Z: 25 14.847 1.828 0.340 0.583 0.875 0.708 CB 1.306 25 residues pruned to eliminate duplicates Z: 24 15.406 1.844 0.517 0.585 0.870 0.652 CB 1.218 24 residues pruned to eliminate duplicates Z: 20 19.307 1.947 0.583 0.670 0.895 0.684 CB 1.373 20 residues pruned to eliminate duplicates Z: 19 14.399 2.016 0.574 0.607 0.778 0.500 CB 1.242 19 residues pruned to eliminate duplicates Z: 22 17.715 1.927 0.588 0.609 0.857 0.571 CB 1.330 21 residues pruned to eliminate duplicates Z: 16 19.265 1.857 0.355 0.877 1.000 1.000 CA 1.436 16 residues pruned to eliminate duplicates Z: 17 18.695 1.985 0.490 0.775 0.938 0.875 CB 1.322 17 residues pruned to eliminate duplicates Z: 21 18.761 1.990 0.614 0.666 0.900 0.750 CB 1.245 21 residues pruned to eliminate duplicates Z: 20 24.984 1.969 0.709 0.702 1.000 0.684 CB 1.418 20 residues pruned to eliminate duplicates Z: 16 21.398 1.988 0.618 0.819 0.933 0.600 CB 1.396 16 residues pruned to eliminate duplicates Z: 12 10.805 1.948 0.777 0.710 0.909 0.545 CB 0.856 12 residues pruned to eliminate duplicates Z: 11 10.070 1.999 0.422 0.853 0.900 0.700 CB 0.919 11 residues pruned to eliminate duplicates Z: 11 11.254 2.024 0.501 0.835 0.900 0.800 CB 0.975 11 residues pruned to eliminate duplicates Z: 17 8.336 1.825 0.456 0.545 0.812 0.625 CB 0.923 17 residues pruned to eliminate duplicates Z: 12 11.645 1.990 0.804 0.768 0.818 0.364 CB 0.943 12 residues pruned to eliminate duplicates Z: 13 12.043 1.981 0.897 0.717 0.833 0.500 CB 0.912 13 residues pruned to eliminate duplicates Z: 10 11.460 2.058 0.552 0.888 0.889 0.778 CB 0.970 10 residues pruned to eliminate duplicates Z: 17 10.205 1.752 0.733 0.673 0.875 0.500 CB 0.819 17 residues pruned to eliminate duplicates Z: 10 15.072 1.791 0.793 0.810 1.000 0.556 CB 1.195 10 residues pruned to eliminate duplicates Z: 13 11.285 1.868 0.555 0.732 1.000 0.500 CB 0.910 13 residues pruned to eliminate duplicates Z: 12 12.082 1.896 0.381 0.788 1.000 0.455 CB 1.081 12 residues pruned to eliminate duplicates Z: 52 32.721 2.152 0.593 0.522 0.922 0.529 CB 1.419 52 residues pruned to eliminate duplicates Z: 73 45.103 2.239 0.734 0.467 0.889 0.542 CB 1.593 73 residues pruned to eliminate duplicates Z: 25 20.643 2.086 0.562 0.498 0.833 0.417 CB 1.555 25 residues pruned to eliminate duplicates Z: 22 25.320 2.207 0.644 0.587 0.857 0.524 CB 1.635 22 residues pruned to eliminate duplicates Z: 82 50.188 2.255 0.678 0.553 0.877 0.642 CB 1.596 82 residues pruned to eliminate duplicates Z: 85 46.085 2.200 0.658 0.523 0.893 0.619 CB 1.509 85 residues pruned to eliminate duplicates Z: 87 51.466 2.229 0.689 0.546 0.895 0.640 CB 1.575 87 residues pruned to eliminate duplicates Z: 20 24.092 2.241 0.564 0.631 0.895 0.579 CB 1.560 20 residues pruned to eliminate duplicates Z: 89 48.544 2.168 0.591 0.519 0.909 0.591 CB 1.620 89 residues pruned to eliminate duplicates Z: 83 49.464 2.222 0.624 0.531 0.915 0.610 CB 1.605 83 residues pruned to eliminate duplicates Z: 76 48.614 2.258 0.684 0.521 0.907 0.493 CB 1.596 76 residues pruned to eliminate duplicates Z: 26 24.411 2.067 0.693 0.551 0.840 0.640 CB 1.581 26 residues pruned to eliminate duplicates Z: 77 49.717 2.241 0.739 0.520 0.908 0.553 CB 1.581 77 residues pruned to eliminate duplicates Z: 75 46.848 2.238 0.760 0.506 0.892 0.608 CB 1.541 75 residues pruned to eliminate duplicates Z: 79 48.445 2.224 0.704 0.513 0.910 0.577 CB 1.570 79 residues pruned to eliminate duplicates Z: 94 49.533 2.211 0.645 0.561 0.892 0.645 CB 1.492 94 residues pruned to eliminate duplicates Z: 53 34.691 2.198 0.734 0.424 0.865 0.462 CB 1.578 53 residues pruned to eliminate duplicates Z: 77 47.350 2.237 0.722 0.513 0.908 0.566 CB 1.533 77 residues pruned to eliminate duplicates Z: 76 48.787 2.278 0.625 0.522 0.933 0.640 CB 1.596 76 residues pruned to eliminate duplicates Z: 85 52.677 2.218 0.769 0.548 0.881 0.643 CB 1.586 85 residues pruned to eliminate duplicates Z: 92 50.317 2.141 0.696 0.532 0.890 0.626 CA 1.581 92 residues pruned to eliminate duplicates Z: 88 50.619 2.199 0.730 0.515 0.885 0.632 CB 1.588 88 residues pruned to eliminate duplicates Z: 82 46.406 2.211 0.690 0.484 0.877 0.519 CB 1.600 82 residues pruned to eliminate duplicates Z: 78 49.456 2.244 0.681 0.516 0.922 0.649 CB 1.595 78 residues pruned to eliminate duplicates Z: 82 55.824 2.236 0.771 0.557 0.901 0.654 CB 1.644 82 residues pruned to eliminate duplicates Z: 82 54.419 2.257 0.738 0.543 0.901 0.605 CB 1.640 82 residues pruned to eliminate duplicates Z: 60 52.624 2.294 0.900 0.567 0.915 0.729 CB 1.610 60 residues pruned to eliminate duplicates Z: 74 40.474 2.196 0.759 0.467 0.849 0.534 CB 1.492 74 residues pruned to eliminate duplicates Z: 80 45.458 2.251 0.687 0.498 0.823 0.570 CB 1.640 80 residues pruned to eliminate duplicates Z: 94 53.532 2.194 0.741 0.563 0.892 0.602 CB 1.532 94 residues pruned to eliminate duplicates Z: 35 27.548 2.196 0.678 0.492 0.853 0.382 CB 1.515 35 residues pruned to eliminate duplicates Z: 36 19.288 2.169 0.516 0.287 0.771 0.457 CB 1.633 36 residues pruned to eliminate duplicates Z: 62 46.207 2.211 0.756 0.509 0.934 0.590 CB 1.617 62 residues pruned to eliminate duplicates Z: 70 44.958 2.176 0.732 0.517 0.884 0.623 CB 1.597 70 residues pruned to eliminate duplicates Z: 91 55.863 2.222 0.679 0.564 0.922 0.633 CB 1.609 91 residues pruned to eliminate duplicates Z: 31 24.027 2.177 0.736 0.334 0.967 0.467 CA 1.439 31 residues pruned to eliminate duplicates Z: 59 50.167 2.209 0.722 0.634 0.948 0.707 CB 1.611 59 residues pruned to eliminate duplicates Z: 66 45.597 2.209 0.738 0.536 0.877 0.600 CA 1.620 66 residues pruned to eliminate duplicates Z: 80 54.675 2.291 0.678 0.568 0.899 0.646 CB 1.668 80 residues pruned to eliminate duplicates Z: 49 39.776 2.260 0.804 0.428 0.958 0.542 CB 1.582 49 residues pruned to eliminate duplicates Z: 60 41.265 2.233 0.743 0.479 0.898 0.661 CA 1.570 60 residues pruned to eliminate duplicates Z: 69 52.286 2.212 0.717 0.576 0.985 0.691 CB 1.575 69 residues pruned to eliminate duplicates Z: 62 50.497 2.269 0.757 0.570 0.934 0.656 CB 1.622 62 residues pruned to eliminate duplicates Z: 58 46.800 2.269 0.834 0.486 0.947 0.561 CB 1.595 58 residues pruned to eliminate duplicates Z: 64 48.840 2.242 0.906 0.493 0.905 0.603 CB 1.603 64 residues pruned to eliminate duplicates Z: 61 50.176 2.288 0.783 0.542 0.933 0.650 CB 1.633 61 residues pruned to eliminate duplicates Z: 63 45.909 2.264 0.733 0.488 0.919 0.516 CB 1.635 63 residues pruned to eliminate duplicates Z: 71 46.905 2.145 0.765 0.567 0.929 0.614 CB 1.495 71 residues pruned to eliminate duplicates Z: 60 52.949 2.242 0.887 0.571 0.966 0.661 CB 1.575 60 residues pruned to eliminate duplicates Z: 76 43.809 2.259 0.635 0.497 0.880 0.533 CB 1.561 76 residues pruned to eliminate duplicates Z: 71 46.725 2.217 0.790 0.518 0.886 0.571 CA 1.561 71 residues pruned to eliminate duplicates Z: 68 50.661 2.203 0.705 0.585 0.940 0.672 CA 1.615 68 residues pruned to eliminate duplicates Z: 53 52.814 2.317 0.926 0.535 0.962 0.615 CB 1.649 53 residues pruned to eliminate duplicates Z: 33 52.162 2.290 1.005 0.748 0.938 0.688 CA 1.717 33 residues pruned to eliminate duplicates Z: 53 37.558 2.236 0.722 0.477 0.865 0.577 CB 1.600 53 residues pruned to eliminate duplicates Z: 40 36.657 2.098 0.832 0.642 0.872 0.744 CB 1.534 40 residues pruned to eliminate duplicates Z: 57 46.113 2.312 0.774 0.539 0.875 0.679 CB 1.652 57 residues pruned to eliminate duplicates Z: 55 46.931 2.291 0.762 0.530 0.926 0.574 CB 1.659 55 residues pruned to eliminate duplicates Z: 36 48.548 2.211 0.801 0.753 1.000 0.771 CB 1.645 36 residues pruned to eliminate duplicates Z: 75 50.758 2.275 0.719 0.516 0.919 0.541 CB 1.615 75 residues pruned to eliminate duplicates Z: 113 74.285 2.248 0.900 0.627 0.929 0.625 CA 1.571 155 residues pruned to eliminate duplicates Z: 13 33.741 2.298 0.847 0.923 0.917 0.417 CA 1.759 13 residues pruned to eliminate duplicates Z: 60 47.273 2.224 0.817 0.528 0.915 0.492 CB 1.618 60 residues pruned to eliminate duplicates Z: 37 46.017 2.238 0.950 0.720 0.917 0.639 CB 1.572 37 residues pruned to eliminate duplicates Z: 69 56.560 2.212 0.863 0.580 0.956 0.662 CB 1.612 69 residues pruned to eliminate duplicates Z: 28 46.601 2.286 1.055 0.688 0.926 0.704 CA 1.735 28 residues pruned to eliminate duplicates Z: 26 42.561 2.379 0.915 0.734 0.920 0.640 CB 1.646 26 residues pruned to eliminate duplicates Z: 33 47.291 2.267 1.159 0.741 0.875 0.625 CB 1.573 33 residues pruned to eliminate duplicates Z: 83 55.915 2.269 0.801 0.553 0.890 0.549 CB 1.611 83 residues pruned to eliminate duplicates Z: 39 52.368 2.223 1.063 0.724 0.974 0.763 CB 1.554 39 residues pruned to eliminate duplicates Z: 54 41.030 2.024 0.818 0.642 0.906 0.604 CB 1.481 54 residues pruned to eliminate duplicates Z: 82 59.034 2.255 0.880 0.537 0.926 0.543 CB 1.612 82 residues pruned to eliminate duplicates Z: 86 58.872 2.196 0.895 0.546 0.929 0.529 CB 1.579 86 residues pruned to eliminate duplicates Z: 39 42.386 2.186 1.033 0.694 0.895 0.474 CB 1.449 39 residues pruned to eliminate duplicates Z: 41 50.749 2.143 1.137 0.707 0.925 0.600 CB 1.570 41 residues pruned to eliminate duplicates Z: 89 56.897 2.243 0.806 0.569 0.886 0.580 CB 1.579 89 residues pruned to eliminate duplicates Z: 35 41.847 2.223 1.051 0.727 0.912 0.588 CB 1.407 35 residues pruned to eliminate duplicates Z: 68 55.159 2.229 0.886 0.572 0.940 0.597 CB 1.591 68 residues pruned to eliminate duplicates Z: 40 44.555 2.092 1.038 0.719 0.974 0.590 CB 1.409 40 residues pruned to eliminate duplicates Z: 68 52.905 2.225 0.884 0.588 0.910 0.522 CB 1.556 68 residues pruned to eliminate duplicates Z: 101 60.660 2.176 0.844 0.584 0.910 0.630 CB 1.533 101 residues pruned to eliminate duplicates Z: 63 39.462 2.104 0.843 0.483 0.887 0.565 CB 1.482 63 residues pruned to eliminate duplicates Z: 52 41.901 2.118 0.933 0.604 0.922 0.529 CB 1.409 52 residues pruned to eliminate duplicates Z: 41 53.605 2.183 1.179 0.741 0.925 0.600 CB 1.551 41 residues pruned to eliminate duplicates Z: 100 54.513 2.146 0.778 0.564 0.909 0.535 CB 1.484 100 residues pruned to eliminate duplicates Z: 78 44.332 2.124 0.827 0.557 0.857 0.506 CB 1.437 78 residues pruned to eliminate duplicates Z: 86 62.892 2.165 0.946 0.701 0.906 0.588 CB 1.488 86 residues pruned to eliminate duplicates Z: 68 49.096 2.183 0.845 0.577 0.881 0.597 CB 1.571 68 residues pruned to eliminate duplicates Z: 77 64.492 2.164 0.891 0.735 0.947 0.724 CB 1.546 77 residues pruned to eliminate duplicates Z: 58 51.580 2.133 0.982 0.678 0.895 0.667 CB 1.533 58 residues pruned to eliminate duplicates Z: 56 37.937 2.078 0.920 0.528 0.855 0.473 CB 1.459 56 residues pruned to eliminate duplicates Z: 88 74.074 2.232 1.074 0.711 0.897 0.632 CB 1.580 88 residues pruned to eliminate duplicates Z: 10 10.625 2.036 0.701 0.361 0.889 0.444 CA 1.336 10 residues pruned to eliminate duplicates Z: 74 50.877 2.250 0.743 0.540 0.918 0.616 CB 1.590 74 residues pruned to eliminate duplicates Z: 30 23.702 2.155 0.808 0.357 0.897 0.379 CB 1.470 30 residues pruned to eliminate duplicates Z: 83 64.557 2.260 0.950 0.572 0.939 0.683 CB 1.608 83 residues pruned to eliminate duplicates Z: 66 58.127 2.269 0.927 0.596 0.985 0.662 CA 1.528 66 residues pruned to eliminate duplicates Z: 82 59.248 2.235 0.860 0.593 0.938 0.667 CB 1.543 82 residues pruned to eliminate duplicates Z: 83 64.757 2.225 0.975 0.578 0.963 0.671 CB 1.566 83 residues pruned to eliminate duplicates Z: 67 58.653 2.265 0.930 0.567 0.970 0.606 CA 1.596 67 residues pruned to eliminate duplicates Z: 50 50.443 2.267 0.852 0.692 0.959 0.571 CA 1.501 50 residues pruned to eliminate duplicates Z: 66 56.536 2.268 0.966 0.568 0.954 0.554 CA 1.544 66 residues pruned to eliminate duplicates Z: 43 60.186 2.305 1.048 0.774 0.976 0.690 CA 1.581 43 residues pruned to eliminate duplicates Z: 41 58.012 2.322 0.959 0.804 0.975 0.700 CA 1.586 41 residues pruned to eliminate duplicates Z: 38 65.947 2.334 1.155 0.782 1.000 0.676 CA 1.680 38 residues pruned to eliminate duplicates Z: 37 63.946 2.348 1.124 0.764 1.000 0.611 CB 1.691 37 residues pruned to eliminate duplicates Z: 45 65.640 2.309 1.149 0.753 0.977 0.568 CA 1.629 45 residues pruned to eliminate duplicates Z: 42 49.178 2.258 0.922 0.732 0.927 0.634 CA 1.549 42 residues pruned to eliminate duplicates Z: 44 55.933 2.330 0.929 0.749 0.953 0.558 CA 1.594 44 residues pruned to eliminate duplicates Z: 67 61.812 2.269 0.936 0.606 0.970 0.576 CA 1.615 67 residues pruned to eliminate duplicates Z: 45 67.126 2.289 1.131 0.778 0.977 0.727 CA 1.661 45 residues pruned to eliminate duplicates Z: 45 65.709 2.279 1.152 0.793 0.955 0.750 CA 1.636 45 residues pruned to eliminate duplicates Z: 46 65.976 2.232 1.309 0.751 0.956 0.667 CB 1.597 46 residues pruned to eliminate duplicates Z: 45 61.398 2.279 1.115 0.740 0.955 0.750 CA 1.623 45 residues pruned to eliminate duplicates Z: 43 58.554 2.303 1.043 0.760 0.952 0.762 CA 1.600 43 residues pruned to eliminate duplicates Z: 40 59.030 2.307 1.063 0.776 0.974 0.821 CB 1.597 40 residues pruned to eliminate duplicates Z: 42 52.200 2.301 0.921 0.754 0.927 0.659 CA 1.588 42 residues pruned to eliminate duplicates Z: 44 65.145 2.295 1.088 0.784 0.977 0.698 CA 1.653 44 residues pruned to eliminate duplicates Z: 41 59.716 2.322 0.964 0.747 0.975 0.650 CA 1.702 41 residues pruned to eliminate duplicates Z: 46 60.706 2.243 1.053 0.763 1.000 0.667 CA 1.556 46 residues pruned to eliminate duplicates Z: 40 56.654 2.310 1.009 0.740 1.000 0.667 CA 1.576 40 residues pruned to eliminate duplicates Z: 41 59.905 2.357 0.957 0.795 0.975 0.750 CA 1.627 41 residues pruned to eliminate duplicates Z: 71 63.121 2.243 0.909 0.615 0.986 0.571 CA 1.603 71 residues pruned to eliminate duplicates Z: 77 61.648 2.219 0.942 0.587 0.974 0.579 CA 1.550 77 residues pruned to eliminate duplicates Z: 25 41.296 2.220 0.966 0.825 0.917 0.792 CA 1.589 25 residues pruned to eliminate duplicates Z: 39 58.959 2.335 1.059 0.783 1.000 0.737 CB 1.551 39 residues pruned to eliminate duplicates Z: 47 64.723 2.352 1.065 0.742 0.957 0.565 CA 1.654 47 residues pruned to eliminate duplicates Z: 43 56.942 2.296 1.095 0.724 0.929 0.595 CA 1.607 43 residues pruned to eliminate duplicates Z: 45 66.037 2.226 1.149 0.803 0.977 0.545 CB 1.635 45 residues pruned to eliminate duplicates Z: 39 50.960 2.242 1.080 0.778 0.868 0.368 CB 1.598 39 residues pruned to eliminate duplicates Z: 83 61.666 2.234 0.954 0.593 0.976 0.524 CB 1.463 83 residues pruned to eliminate duplicates Z: 48 57.468 2.186 1.101 0.744 0.957 0.511 CB 1.532 48 residues pruned to eliminate duplicates Z: 44 55.077 2.227 1.051 0.789 0.977 0.442 CB 1.460 44 residues pruned to eliminate duplicates Z: 50 59.825 2.183 1.143 0.728 0.939 0.673 CB 1.584 50 residues pruned to eliminate duplicates Z: 48 53.347 2.195 1.113 0.737 0.894 0.489 CB 1.518 48 residues pruned to eliminate duplicates Z: 42 66.484 2.291 1.274 0.809 0.976 0.488 CB 1.560 42 residues pruned to eliminate duplicates Z: 77 54.390 2.199 0.935 0.549 0.921 0.526 CB 1.518 77 residues pruned to eliminate duplicates Z: 46 62.920 2.268 1.125 0.764 1.000 0.511 CB 1.540 46 residues pruned to eliminate duplicates Z: 30 25.897 1.930 0.521 0.771 0.897 0.690 CB 1.438 30 residues pruned to eliminate duplicates Z: 27 22.057 1.901 0.493 0.723 0.808 0.615 CB 1.543 27 residues pruned to eliminate duplicates Z: 27 21.818 1.926 0.612 0.686 0.846 0.346 CB 1.373 27 residues pruned to eliminate duplicates Z: 16 7.832 1.818 0.172 0.605 0.800 0.400 CB 1.073 16 residues pruned to eliminate duplicates Z: 7 7.359 2.093 -0.011 0.710 1.000 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 7 8.634 2.085 0.104 0.846 1.000 0.500 CB 1.137 7 residues pruned to eliminate duplicates Z: 63 48.551 2.082 0.976 0.697 0.935 0.468 CB 1.338 63 residues pruned to eliminate duplicates Z: 14 9.724 1.857 0.406 0.664 0.923 0.308 CB 0.962 14 residues pruned to eliminate duplicates Z: 14 7.801 1.868 0.176 0.566 0.769 0.538 CB 1.201 14 residues pruned to eliminate duplicates Z: 14 9.162 1.897 0.192 0.642 0.846 0.462 CB 1.163 14 residues pruned to eliminate duplicates Z: 12 14.742 1.878 0.524 0.757 1.000 0.636 CB 1.236 12 residues pruned to eliminate duplicates Z: 11 15.040 1.978 0.462 0.845 0.900 0.500 CB 1.358 11 residues pruned to eliminate duplicates Z: 7 2.397 1.298 0.515 0.083 0.833 0.333 CB 1.024 Z: 11 14.124 1.984 0.438 0.859 0.900 0.600 CB 1.280 18 residues pruned to eliminate duplicates Z: 19 16.188 1.820 0.577 0.757 0.944 0.611 CB 1.120 20 residues pruned to eliminate duplicates Z: 13 12.322 1.829 0.371 0.832 1.000 0.833 CB 1.065 13 residues pruned to eliminate duplicates Z: 88 50.953 2.052 0.911 0.656 0.897 0.529 CB 1.344 69 residues pruned to eliminate duplicates Z: 10 20.096 1.899 0.877 0.770 1.000 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 20 13.520 1.869 0.553 0.538 0.895 0.579 CB 1.151 20 residues pruned to eliminate duplicates Z: 16 15.663 1.995 0.605 0.575 0.867 0.667 CB 1.355 16 residues pruned to eliminate duplicates Z: 34 23.803 2.093 0.517 0.589 0.879 0.515 CB 1.364 31 residues pruned to eliminate duplicates Z: 13 23.176 1.846 0.967 0.895 0.917 0.833 CA 1.441 13 residues pruned to eliminate duplicates Z: 55 32.291 2.149 0.637 0.491 0.870 0.444 CB 1.448 34 residues pruned to eliminate duplicates Z: 13 23.056 1.858 0.752 0.884 1.000 0.500 CB 1.477 13 residues pruned to eliminate duplicates Z: 17 13.285 1.946 0.466 0.553 0.875 0.562 CB 1.263 17 residues pruned to eliminate duplicates Z: 15 17.260 2.052 0.750 0.630 0.857 0.643 CB 1.326 15 residues pruned to eliminate duplicates Z: 53 27.754 2.138 0.478 0.505 0.846 0.500 CB 1.433 53 residues pruned to eliminate duplicates Z: 36 21.512 2.028 0.525 0.589 0.914 0.457 CB 1.181 36 residues pruned to eliminate duplicates Z: 8 6.615 1.821 0.527 0.236 0.857 0.429 CB 1.426 8 residues pruned to eliminate duplicates Z: 51 32.036 2.180 0.595 0.515 0.900 0.520 CB 1.427 55 residues pruned to eliminate duplicates Z: 12 19.021 2.077 0.591 0.816 1.000 0.727 CB 1.319 12 residues pruned to eliminate duplicates Z: 20 16.785 2.111 0.392 0.647 0.947 0.684 CB 1.206 20 residues pruned to eliminate duplicates Z: 21 11.734 1.947 0.339 0.505 0.850 0.650 CB 1.179 21 residues pruned to eliminate duplicates Z: 48 29.625 2.176 0.507 0.460 0.936 0.553 CB 1.467 43 residues pruned to eliminate duplicates Z: 12 17.701 2.177 0.572 0.746 0.909 0.545 CB 1.376 12 residues pruned to eliminate duplicates Z: 20 17.399 2.120 0.421 0.598 0.947 0.632 CB 1.273 20 residues pruned to eliminate duplicates Z: 86 63.041 2.240 0.880 0.614 0.941 0.671 CA 1.549 86 residues pruned to eliminate duplicates Z: 83 53.910 2.248 0.746 0.570 0.915 0.683 CB 1.549 83 residues pruned to eliminate duplicates Z: 48 28.892 2.171 0.535 0.451 0.936 0.489 CB 1.421 48 residues pruned to eliminate duplicates Z: 55 27.507 2.031 0.602 0.401 0.926 0.519 CB 1.379 54 residues pruned to eliminate duplicates Z: 6 7.467 1.841 0.687 0.458 1.000 1.000 CB 1.123 6 residues pruned to eliminate duplicates Z: 10 10.430 1.780 0.536 0.508 0.889 0.556 CB 1.420 10 residues pruned to eliminate duplicates Z: 20 25.217 2.106 0.919 0.675 0.947 0.526 CB 1.286 20 residues pruned to eliminate duplicates Z: 17 22.980 2.268 0.742 0.658 0.938 0.500 CB 1.339 17 residues pruned to eliminate duplicates Z: 30 16.464 2.086 0.354 0.314 0.897 0.345 CB 1.485 30 residues pruned to eliminate duplicates Z: 44 25.082 2.234 0.481 0.432 0.884 0.512 CB 1.404 44 residues pruned to eliminate duplicates Z: 85 60.474 2.247 0.789 0.601 0.952 0.643 CB 1.566 49 residues pruned to eliminate duplicates Z: 7 9.032 1.980 0.358 0.496 1.000 0.333 CA 1.377 7 residues pruned to eliminate duplicates Z: 49 22.208 2.103 0.451 0.346 0.896 0.583 CB 1.386 49 residues pruned to eliminate duplicates Z: 85 63.075 2.274 0.831 0.620 0.917 0.643 CB 1.610 85 residues pruned to eliminate duplicates Z: 76 53.118 2.252 0.852 0.563 0.880 0.587 CB 1.571 76 residues pruned to eliminate duplicates Z: 46 28.772 2.177 0.644 0.415 0.889 0.556 CB 1.473 46 residues pruned to eliminate duplicates Z: 65 51.162 2.266 0.859 0.586 0.922 0.688 CA 1.516 65 residues pruned to eliminate duplicates Z: 65 58.411 2.287 0.876 0.592 0.969 0.656 CA 1.609 65 residues pruned to eliminate duplicates Z: 45 29.891 2.218 0.534 0.456 0.932 0.500 CB 1.487 45 residues pruned to eliminate duplicates Z: 46 23.184 2.062 0.601 0.350 0.867 0.533 CB 1.422 46 residues pruned to eliminate duplicates Z: 43 25.228 2.120 0.599 0.330 0.929 0.429 CB 1.490 43 residues pruned to eliminate duplicates Z: 43 21.714 2.049 0.511 0.332 0.857 0.524 CB 1.518 43 residues pruned to eliminate duplicates Z: 26 16.526 2.058 0.495 0.304 0.920 0.320 CB 1.453 26 residues pruned to eliminate duplicates Z: 37 22.022 2.176 0.469 0.322 0.917 0.611 CB 1.523 37 residues pruned to eliminate duplicates Z: 19 17.062 2.219 0.473 0.379 0.889 0.389 CA 1.574 19 residues pruned to eliminate duplicates Z: 40 34.328 2.256 0.790 0.427 0.897 0.462 CA 1.637 40 residues pruned to eliminate duplicates Z: 24 21.633 1.809 0.562 0.678 1.000 0.739 CB 1.356 16 residues pruned to eliminate duplicates Z: 14 24.438 1.896 0.692 0.882 1.000 0.846 N 1.529 14 residues pruned to eliminate duplicates Z: 14 15.799 1.923 0.481 0.742 0.846 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 25 17.464 1.782 0.498 0.605 0.917 0.625 CB 1.319 25 residues pruned to eliminate duplicates Z: 14 23.153 1.979 0.624 0.767 1.000 0.615 CA 1.577 14 residues pruned to eliminate duplicates Z: 14 21.938 1.948 0.695 0.771 0.923 0.692 CB 1.571 14 residues pruned to eliminate duplicates Z: 24 20.990 1.827 0.648 0.636 0.957 0.783 CB 1.338 24 residues pruned to eliminate duplicates Z: 16 27.521 1.937 0.687 0.821 1.000 0.533 N 1.645 16 residues pruned to eliminate duplicates Z: 12 26.336 1.988 0.876 0.838 1.000 1.000 N 1.592 12 residues pruned to eliminate duplicates Z: 12 20.324 2.000 0.893 0.749 0.818 0.636 CA 1.583 12 residues pruned to eliminate duplicates Z: 17 24.022 1.913 0.663 0.778 0.938 0.625 CB 1.577 17 residues pruned to eliminate duplicates Z: 24 22.997 1.833 0.725 0.673 0.957 0.783 CB 1.352 24 residues pruned to eliminate duplicates Z: 14 24.711 1.946 0.762 0.847 1.000 0.538 N 1.484 14 residues pruned to eliminate duplicates Z: 16 24.725 1.934 0.614 0.797 1.000 0.867 CB 1.577 16 residues pruned to eliminate duplicates Z: 11 3.715 1.695 0.382 0.388 0.900 0.700 CB 0.627 11 residues pruned to eliminate duplicates Z: 10 6.663 1.744 0.629 0.408 0.889 0.778 CB 0.969 10 residues pruned to eliminate duplicates Z: 13 5.628 1.641 0.669 0.317 0.833 0.667 CB 0.871 13 residues pruned to eliminate duplicates Z: 10 5.549 1.735 0.572 0.386 0.889 0.778 CB 0.861 10 residues pruned to eliminate duplicates Z: 9 4.067 1.745 0.402 0.371 0.875 0.625 CB 0.771 9 residues pruned to eliminate duplicates Z: 25 18.690 1.797 0.615 0.616 0.917 0.583 CB 1.285 25 residues pruned to eliminate duplicates Z: 7 5.070 1.740 0.705 0.442 1.000 0.667 CB 0.741 7 residues pruned to eliminate duplicates Z: 10 13.740 1.736 0.269 0.904 1.000 1.000 CA 1.481 9 residues pruned to eliminate duplicates Z: 17 14.576 1.684 0.133 0.916 1.000 0.875 O 1.349 17 residues pruned to eliminate duplicates Z: 13 10.817 1.637 0.310 0.684 1.000 0.583 CB 1.230 13 residues pruned to eliminate duplicates Z: 20 13.517 1.677 0.175 0.746 0.947 0.737 CB 1.333 20 residues pruned to eliminate duplicates Z: 12 9.760 1.635 0.324 0.684 0.909 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 11 8.062 1.666 0.055 0.792 0.800 0.700 N 1.403 11 residues pruned to eliminate duplicates Z: 21 14.553 1.716 0.183 0.793 1.000 0.800 CB 1.240 21 residues pruned to eliminate duplicates Z: 17 12.039 1.740 0.027 0.858 0.938 0.812 CB 1.323 17 residues pruned to eliminate duplicates Z: 20 15.964 1.729 0.337 0.829 0.895 0.632 CB 1.333 20 residues pruned to eliminate duplicates Z: 20 16.755 1.699 0.488 0.760 0.947 0.421 CB 1.273 20 residues pruned to eliminate duplicates Z: 18 8.822 1.616 0.207 0.673 0.882 0.471 CB 1.060 18 residues pruned to eliminate duplicates Z: 8 2.412 1.649 -0.051 0.693 0.857 0.857 CB 0.570 8 residues pruned to eliminate duplicates Z: 11 8.914 1.520 0.621 0.761 0.900 0.600 CB 1.008 11 residues pruned to eliminate duplicates Z: 10 7.363 1.751 0.154 0.763 0.889 0.778 CB 1.082 10 residues pruned to eliminate duplicates Z: 22 17.566 1.696 0.427 0.828 0.905 0.714 CB 1.318 22 residues pruned to eliminate duplicates Z: 10 8.163 1.786 0.558 0.741 0.889 0.667 CB 0.886 10 residues pruned to eliminate duplicates Z: 10 12.782 1.771 0.480 0.816 1.000 0.667 CB 1.235 10 residues pruned to eliminate duplicates Z: 21 17.003 1.674 0.491 0.912 1.000 0.800 CB 1.079 20 residues pruned to eliminate duplicates Z: 13 12.533 1.687 0.722 0.795 0.917 0.583 CB 1.049 13 residues pruned to eliminate duplicates Z: 14 12.069 1.710 0.512 0.854 0.923 0.462 CB 1.036 14 residues pruned to eliminate duplicates Z: 21 13.543 1.649 0.555 0.779 0.850 0.500 CB 1.087 21 residues pruned to eliminate duplicates Z: 11 14.579 2.140 0.527 0.503 0.900 0.600 CB 1.563 11 residues pruned to eliminate duplicates Z: 10 9.365 2.132 0.283 0.523 0.778 0.556 CB 1.433 10 residues pruned to eliminate duplicates Z: 13 20.703 1.921 0.613 0.761 1.000 0.750 CB 1.529 13 residues pruned to eliminate duplicates Z: 11 14.237 1.920 0.419 0.728 1.000 0.300 CB 1.346 11 residues pruned to eliminate duplicates Z: 18 13.145 1.770 0.569 0.470 0.882 0.471 CB 1.340 18 residues pruned to eliminate duplicates Z: 13 9.239 1.997 0.455 0.404 0.750 0.417 CB 1.354 11 residues pruned to eliminate duplicates Z: 10 19.652 1.919 0.827 0.843 0.889 0.444 CB 1.565 10 residues pruned to eliminate duplicates Z: 9 21.386 1.892 0.896 0.875 1.000 0.500 CB 1.533 9 residues pruned to eliminate duplicates Z: 10 18.544 1.911 0.791 0.875 0.889 0.667 CB 1.478 17 residues pruned to eliminate duplicates Z: 8 14.625 1.884 0.773 0.782 0.857 0.571 CB 1.506 8 residues pruned to eliminate duplicates Z: 12 22.022 2.092 0.825 0.744 0.909 0.545 CB 1.537 9 residues pruned to eliminate duplicates Z: 9 20.819 1.919 0.820 0.879 1.000 0.750 N 1.528 9 residues pruned to eliminate duplicates Z: 6 5.842 1.697 0.444 0.341 1.000 0.800 N 1.268 6 residues pruned to eliminate duplicates Z: 15 9.008 1.722 0.222 0.502 0.929 0.571 CB 1.230 15 residues pruned to eliminate duplicates Z: 15 9.680 1.736 0.330 0.526 0.929 0.500 CB 1.177 14 residues pruned to eliminate duplicates Z: 6 2.821 1.551 0.192 0.448 0.800 0.400 CB 0.900 6 residues pruned to eliminate duplicates Z: 16 14.228 1.725 0.552 0.631 0.933 0.667 CB 1.299 13 residues pruned to eliminate duplicates Z: 9 11.385 2.041 0.250 0.641 1.000 0.625 CA 1.382 9 residues pruned to eliminate duplicates Z: 31 21.475 2.019 0.773 0.454 0.800 0.433 CB 1.436 31 residues pruned to eliminate duplicates Z: 13 7.506 1.922 0.606 0.300 0.750 0.167 CA 1.169 13 residues pruned to eliminate duplicates Z: 41 25.650 2.018 0.852 0.438 0.825 0.475 CB 1.402 41 residues pruned to eliminate duplicates Z: 13 14.831 2.043 1.056 0.552 0.750 0.250 CA 1.292 13 residues pruned to eliminate duplicates Z: 12 15.300 2.066 0.578 0.611 0.818 0.364 CA 1.557 12 residues pruned to eliminate duplicates Z: 10 14.087 2.125 0.619 0.681 0.778 0.444 CA 1.486 10 residues pruned to eliminate duplicates Z: 28 20.669 2.043 0.662 0.512 0.852 0.481 CB 1.359 28 residues pruned to eliminate duplicates Z: 25 22.839 2.079 0.709 0.541 0.875 0.500 CB 1.441 25 residues pruned to eliminate duplicates Z: 33 22.470 2.025 0.681 0.476 0.844 0.531 CB 1.416 33 residues pruned to eliminate duplicates Z: 27 24.572 2.102 0.768 0.529 0.846 0.462 CB 1.489 27 residues pruned to eliminate duplicates Z: 35 23.369 1.992 0.670 0.481 0.941 0.559 CB 1.305 35 residues pruned to eliminate duplicates Z: 16 14.615 2.049 0.862 0.509 0.867 0.600 CB 1.131 16 residues pruned to eliminate duplicates Z: 42 21.555 2.066 0.683 0.420 0.780 0.390 CB 1.348 42 residues pruned to eliminate duplicates Z: 23 16.983 2.047 0.707 0.474 0.773 0.455 CB 1.376 23 residues pruned to eliminate duplicates Z: 25 16.378 2.020 0.468 0.512 0.875 0.458 CB 1.274 25 residues pruned to eliminate duplicates Z: 16 10.688 2.017 0.481 0.490 0.867 0.667 CB 1.076 16 residues pruned to eliminate duplicates Z: 19 13.463 1.951 0.596 0.443 0.889 0.611 CB 1.216 19 residues pruned to eliminate duplicates Z: 25 8.750 1.740 0.387 0.357 0.875 0.333 CB 0.987 25 residues pruned to eliminate duplicates Z: 52 22.487 1.984 0.564 0.422 0.902 0.451 CB 1.220 52 residues pruned to eliminate duplicates Z: 42 17.761 2.043 0.658 0.384 0.805 0.561 CB 1.151 41 residues pruned to eliminate duplicates Z: 11 15.809 1.978 0.573 0.675 0.800 0.300 N 1.709 11 residues pruned to eliminate duplicates Z: 44 26.837 2.144 0.650 0.441 0.860 0.442 CB 1.429 44 residues pruned to eliminate duplicates Z: 32 18.086 2.137 0.795 0.406 0.774 0.452 CB 1.208 32 residues pruned to eliminate duplicates Z: 42 28.527 2.144 0.719 0.480 0.902 0.512 CB 1.367 42 residues pruned to eliminate duplicates Z: 24 13.965 1.899 0.715 0.421 0.826 0.478 CB 1.176 24 residues pruned to eliminate duplicates Z: 35 21.273 2.108 0.694 0.459 0.765 0.500 CB 1.393 35 residues pruned to eliminate duplicates Z: 20 22.476 2.179 0.966 0.518 0.842 0.579 CB 1.404 20 residues pruned to eliminate duplicates Z: 21 18.281 2.081 0.986 0.455 0.900 0.300 CB 1.150 21 residues pruned to eliminate duplicates Z: 44 26.171 2.134 0.707 0.460 0.860 0.442 CB 1.326 44 residues pruned to eliminate duplicates Z: 20 22.268 2.161 1.042 0.560 0.895 0.526 CB 1.221 20 residues pruned to eliminate duplicates Z: 20 25.146 2.174 1.039 0.562 0.895 0.632 CB 1.370 20 residues pruned to eliminate duplicates Z: 22 17.219 2.069 0.853 0.522 0.857 0.476 CB 1.119 22 residues pruned to eliminate duplicates Z: 11 10.875 2.146 0.882 0.554 0.800 0.600 CB 1.010 11 residues pruned to eliminate duplicates Z: 47 24.980 2.121 0.741 0.443 0.848 0.435 CB 1.248 47 residues pruned to eliminate duplicates Z: 59 30.574 2.014 0.716 0.486 0.914 0.552 CB 1.289 59 residues pruned to eliminate duplicates Z: 22 25.666 2.004 0.805 0.741 0.905 0.524 CB 1.379 22 residues pruned to eliminate duplicates Z: 10 19.390 2.336 0.997 0.487 1.000 0.556 CB 1.404 10 residues pruned to eliminate duplicates Z: 20 19.358 2.135 0.903 0.526 0.947 0.789 CB 1.124 20 residues pruned to eliminate duplicates 7 1.331 1.729 0.177 0.279 0.667 0.333 CB 0.514 ? Z: 15 7.315 1.709 0.257 0.377 0.857 0.643 CB 1.210 15 residues pruned to eliminate duplicates Z: 16 10.020 1.786 0.407 0.361 0.800 0.667 CB 1.494 15 residues pruned to eliminate duplicates Z: 8 4.563 1.662 0.389 0.382 0.714 0.286 CB 1.186 8 residues pruned to eliminate duplicates Z: 10 6.609 1.766 0.434 0.296 0.889 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 10 5.748 1.759 0.429 0.269 0.778 0.556 CB 1.275 11 residues pruned to eliminate duplicates Z: 16 19.025 1.849 0.496 0.820 0.933 0.267 CB 1.441 16 residues pruned to eliminate duplicates Z: 25 24.460 2.030 0.606 0.568 1.000 0.542 CB 1.435 25 residues pruned to eliminate duplicates Z: 24 25.880 2.063 0.601 0.585 1.000 0.522 CB 1.506 24 residues pruned to eliminate duplicates Z: 25 26.600 2.067 0.603 0.608 1.000 0.542 CB 1.479 25 residues pruned to eliminate duplicates Z: 34 20.699 1.990 0.543 0.464 0.879 0.576 CB 1.386 34 residues pruned to eliminate duplicates Z: 38 19.505 1.842 0.569 0.441 0.865 0.514 CB 1.363 36 residues pruned to eliminate duplicates Z: 15 15.378 1.801 0.585 0.788 0.786 0.714 CB 1.422 15 residues pruned to eliminate duplicates Z: 36 20.456 1.926 0.559 0.470 0.857 0.486 CB 1.385 36 residues pruned to eliminate duplicates Z: 22 20.356 1.950 0.611 0.602 0.857 0.524 CB 1.497 22 residues pruned to eliminate duplicates Z: 35 21.254 1.980 0.537 0.485 0.853 0.529 CB 1.426 35 residues pruned to eliminate duplicates Z: 25 23.398 2.063 0.467 0.609 0.917 0.500 CB 1.553 25 residues pruned to eliminate duplicates Z: 36 21.966 1.945 0.595 0.480 0.886 0.486 CB 1.379 36 residues pruned to eliminate duplicates Z: 26 21.802 2.014 0.613 0.594 0.880 0.480 CB 1.394 26 residues pruned to eliminate duplicates Z: 18 21.831 2.116 0.805 0.605 0.941 0.647 CB 1.333 20 residues pruned to eliminate duplicates Z: 6 3.783 1.610 0.957 0.171 0.800 0.200 C 1.001 6 residues pruned to eliminate duplicates Z: 26 23.373 2.018 0.697 0.603 0.880 0.440 CB 1.406 26 residues pruned to eliminate duplicates Z: 26 21.611 2.048 0.568 0.618 0.880 0.600 CB 1.368 26 residues pruned to eliminate duplicates Z: 37 21.395 1.948 0.671 0.496 0.861 0.472 CB 1.277 37 residues pruned to eliminate duplicates Z: 25 27.421 2.017 0.364 0.846 1.000 0.833 CB 1.511 24 residues pruned to eliminate duplicates Z: 24 28.055 1.993 0.672 0.789 0.957 0.826 CB 1.423 24 residues pruned to eliminate duplicates Z: 15 18.981 1.956 0.717 0.704 0.929 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 56 29.845 1.955 0.537 0.619 0.873 0.600 CB 1.371 54 residues pruned to eliminate duplicates Z: 22 27.613 2.038 0.424 0.890 0.952 0.714 CB 1.569 22 residues pruned to eliminate duplicates Z: 15 18.819 2.080 0.614 0.691 0.857 0.500 CB 1.468 16 residues pruned to eliminate duplicates Z: 19 25.646 1.999 0.562 0.893 0.944 0.778 CB 1.471 19 residues pruned to eliminate duplicates Z: 20 14.936 1.944 0.684 0.653 0.737 0.316 CB 1.232 20 residues pruned to eliminate duplicates Z: 25 21.704 1.959 0.527 0.751 0.833 0.417 CB 1.421 25 residues pruned to eliminate duplicates Z: 34 24.066 1.963 0.578 0.739 0.848 0.485 CB 1.286 34 residues pruned to eliminate duplicates Z: 27 27.145 2.029 0.598 0.789 0.923 0.577 CB 1.381 27 residues pruned to eliminate duplicates Z: 21 23.496 1.925 0.727 0.751 0.850 0.450 CB 1.486 21 residues pruned to eliminate duplicates Z: 31 25.627 2.009 0.604 0.702 0.867 0.467 CB 1.393 31 residues pruned to eliminate duplicates Z: 25 33.485 2.080 0.859 0.803 0.917 0.542 CB 1.480 25 residues pruned to eliminate duplicates Z: 42 26.338 1.967 0.634 0.628 0.878 0.512 CB 1.292 42 residues pruned to eliminate duplicates Z: 19 25.433 2.017 0.742 0.903 0.889 0.556 CB 1.369 19 residues pruned to eliminate duplicates Z: 26 22.820 2.044 0.742 0.763 0.760 0.440 CB 1.335 26 residues pruned to eliminate duplicates Z: 22 35.071 2.113 0.879 0.881 0.952 0.619 CB 1.466 22 residues pruned to eliminate duplicates Z: 23 31.328 2.074 0.903 0.840 0.909 0.545 CB 1.389 23 residues pruned to eliminate duplicates Z: 37 37.245 2.004 0.874 0.744 0.972 0.333 CB 1.367 37 residues pruned to eliminate duplicates Z: 21 34.844 2.078 0.970 0.861 0.950 0.550 CB 1.472 21 residues pruned to eliminate duplicates Z: 32 28.575 2.002 0.675 0.691 0.935 0.355 CB 1.374 32 residues pruned to eliminate duplicates Z: 37 34.550 2.032 0.793 0.709 0.972 0.361 CB 1.345 36 residues pruned to eliminate duplicates Z: 6 2.245 1.381 0.225 0.281 0.800 0.800 CA 0.950 6 residues pruned to eliminate duplicates Z: 34 32.634 2.069 0.803 0.729 0.879 0.273 CB 1.409 34 residues pruned to eliminate duplicates Z: 29 22.991 1.938 0.742 0.667 0.857 0.357 CB 1.286 29 residues pruned to eliminate duplicates Z: 38 32.763 2.018 0.790 0.692 0.892 0.378 CB 1.403 38 residues pruned to eliminate duplicates Z: 32 27.260 2.014 0.794 0.749 0.806 0.387 CB 1.345 32 residues pruned to eliminate duplicates Z: 33 28.294 1.994 0.752 0.676 0.906 0.312 CB 1.343 33 residues pruned to eliminate duplicates Z: 13 7.252 1.927 0.258 0.513 0.750 0.333 CB 1.137 13 residues pruned to eliminate duplicates Z: 36 30.693 2.002 0.830 0.713 0.857 0.429 CB 1.362 36 residues pruned to eliminate duplicates Z: 51 33.102 2.074 0.613 0.719 0.820 0.420 CB 1.401 51 residues pruned to eliminate duplicates Z: 38 30.474 1.971 0.807 0.693 0.946 0.351 CB 1.246 38 residues pruned to eliminate duplicates Z: 19 13.033 1.992 0.508 0.587 0.722 0.556 CB 1.303 18 residues pruned to eliminate duplicates Z: 16 28.697 2.178 0.595 0.845 0.933 0.667 CB 1.699 17 residues pruned to eliminate duplicates Z: 16 29.878 2.188 0.494 0.838 1.000 0.867 CA 1.765 16 residues pruned to eliminate duplicates Z: 24 24.289 2.084 0.641 0.615 0.870 0.739 CB 1.529 18 residues pruned to eliminate duplicates Z: 15 27.474 2.210 0.529 0.899 0.929 0.357 CB 1.672 15 residues pruned to eliminate duplicates Z: 16 26.152 2.201 0.425 0.850 0.933 0.600 CB 1.708 16 residues pruned to eliminate duplicates Z: 19 23.291 2.135 0.438 0.735 0.944 0.722 CB 1.532 19 residues pruned to eliminate duplicates Z: 22 26.779 2.142 0.671 0.686 0.905 0.619 CB 1.521 22 residues pruned to eliminate duplicates Z: 12 31.097 2.347 0.576 0.927 1.000 0.545 CB 1.775 12 residues pruned to eliminate duplicates Z: 17 30.643 2.197 0.734 0.803 0.938 0.750 CA 1.646 17 residues pruned to eliminate duplicates Z: 20 22.508 2.089 0.635 0.693 0.842 0.579 CB 1.506 20 residues pruned to eliminate duplicates Z: 19 22.020 2.120 0.553 0.695 0.833 0.556 CA 1.584 19 residues pruned to eliminate duplicates Z: 61 37.525 2.074 0.706 0.660 0.883 0.467 CB 1.336 61 residues pruned to eliminate duplicates Z: 24 23.581 2.108 0.496 0.662 0.957 0.696 CB 1.403 24 residues pruned to eliminate duplicates Z: 21 20.448 1.995 0.610 0.573 0.950 0.650 CB 1.397 21 residues pruned to eliminate duplicates Z: 8 7.729 1.858 0.738 0.322 1.000 0.714 CB 1.101 8 residues pruned to eliminate duplicates Z: 7 5.956 1.733 0.839 0.420 1.000 0.667 CB 0.829 7 residues pruned to eliminate duplicates Z: 22 21.110 2.008 0.632 0.504 0.857 0.476 CB 1.633 22 residues pruned to eliminate duplicates Z: 10 9.020 1.731 0.673 0.412 0.889 0.556 CB 1.281 10 residues pruned to eliminate duplicates Z: 34 36.183 2.023 0.735 0.758 0.909 0.758 CB 1.569 34 residues pruned to eliminate duplicates Z: 31 28.621 1.991 0.568 0.657 0.933 0.567 CA 1.550 31 residues pruned to eliminate duplicates Z: 32 33.995 2.038 0.553 0.780 0.968 0.774 CB 1.557 32 residues pruned to eliminate duplicates Z: 37 30.949 1.933 0.628 0.692 0.944 0.694 CA 1.457 37 residues pruned to eliminate duplicates Z: 27 35.959 2.109 0.587 0.764 1.000 0.731 CB 1.668 27 residues pruned to eliminate duplicates Z: 34 32.975 2.013 0.613 0.718 0.939 0.667 CB 1.546 34 residues pruned to eliminate duplicates Z: 32 33.984 2.002 0.560 0.767 0.968 0.677 CB 1.594 32 residues pruned to eliminate duplicates Z: 32 31.861 2.057 0.539 0.788 0.903 0.774 CB 1.554 32 residues pruned to eliminate duplicates Z: 31 29.872 2.008 0.500 0.735 0.967 0.767 CA 1.517 31 residues pruned to eliminate duplicates Z: 36 33.463 1.964 0.701 0.678 0.943 0.514 CA 1.525 36 residues pruned to eliminate duplicates Z: 38 36.909 1.937 0.612 0.789 0.973 0.784 CB 1.550 40 residues pruned to eliminate duplicates Z: 24 38.367 2.077 0.762 0.883 0.957 0.565 CB 1.652 24 residues pruned to eliminate duplicates Z: 38 35.418 1.974 0.534 0.796 0.946 0.703 CB 1.568 38 residues pruned to eliminate duplicates Z: 30 34.750 2.072 0.703 0.698 1.000 0.586 CB 1.527 30 residues pruned to eliminate duplicates Z: 33 32.178 2.035 0.590 0.704 0.969 0.688 CB 1.507 33 residues pruned to eliminate duplicates Z: 30 36.738 2.012 0.508 0.910 0.966 0.621 CB 1.651 30 residues pruned to eliminate duplicates Z: 31 31.935 2.012 0.650 0.725 1.000 0.533 CB 1.434 31 residues pruned to eliminate duplicates Z: 39 36.889 1.959 0.649 0.787 0.947 0.632 CB 1.519 39 residues pruned to eliminate duplicates Z: 37 33.069 1.966 0.737 0.659 0.917 0.500 CB 1.520 37 residues pruned to eliminate duplicates Z: 33 43.113 2.050 0.883 0.772 1.000 0.750 CB 1.552 33 residues pruned to eliminate duplicates Z: 21 28.247 1.922 0.672 0.759 0.950 0.600 CB 1.644 21 residues pruned to eliminate duplicates Z: 20 30.199 1.898 0.685 0.795 1.000 0.684 CB 1.672 20 residues pruned to eliminate duplicates Z: 31 42.936 2.109 0.826 0.817 1.000 0.467 CB 1.546 31 residues pruned to eliminate duplicates Z: 30 43.042 2.041 0.771 0.928 0.966 0.552 CB 1.604 30 residues pruned to eliminate duplicates Z: 37 32.781 1.941 0.884 0.680 0.944 0.361 CB 1.341 37 residues pruned to eliminate duplicates Z: 37 39.465 1.994 0.848 0.781 0.944 0.472 CB 1.475 37 residues pruned to eliminate duplicates Z: 39 31.206 1.926 0.914 0.671 0.868 0.553 CB 1.350 39 residues pruned to eliminate duplicates Z: 20 31.152 1.925 0.873 0.836 0.947 0.474 CB 1.567 20 residues pruned to eliminate duplicates Z: 23 24.963 1.878 0.833 0.779 0.773 0.318 CB 1.565 23 residues pruned to eliminate duplicates Z: 38 34.709 1.916 0.890 0.826 0.919 0.459 CB 1.294 37 residues pruned to eliminate duplicates Z: 17 32.489 1.897 0.889 0.908 0.938 0.500 CB 1.718 17 residues pruned to eliminate duplicates Z: 24 31.303 1.902 0.874 0.906 0.826 0.304 CB 1.576 24 residues pruned to eliminate duplicates Z: 39 30.046 1.886 0.796 0.753 0.842 0.316 CB 1.364 39 residues pruned to eliminate duplicates Z: 8 5.065 1.401 0.232 0.554 0.857 0.429 O 1.228 8 residues pruned to eliminate duplicates Z: 30 24.740 2.079 0.662 0.497 0.966 0.621 CB 1.381 30 residues pruned to eliminate duplicates Z: 13 17.322 2.202 0.509 0.524 0.917 0.500 CB 1.604 13 residues pruned to eliminate duplicates Z: 22 17.558 2.033 0.622 0.452 0.857 0.619 CB 1.424 21 residues pruned to eliminate duplicates Z: 9 21.717 2.024 1.030 0.824 0.875 0.375 CB 1.614 9 residues pruned to eliminate duplicates Z: 23 21.957 2.211 0.730 0.462 0.955 0.727 CB 1.332 23 residues pruned to eliminate duplicates Z: 10 21.139 2.295 0.729 0.699 0.889 0.556 CB 1.667 10 residues pruned to eliminate duplicates Z: 25 24.288 2.252 0.728 0.585 0.917 0.625 CB 1.281 25 residues pruned to eliminate duplicates Z: 14 16.003 2.117 0.618 0.582 0.923 0.385 CB 1.298 14 residues pruned to eliminate duplicates Z: 27 24.667 2.211 0.725 0.570 0.923 0.538 CB 1.283 27 residues pruned to eliminate duplicates Z: 28 22.775 2.127 0.728 0.531 0.889 0.593 CB 1.300 28 residues pruned to eliminate duplicates Z: 23 24.930 2.230 0.845 0.522 0.955 0.727 CB 1.324 23 residues pruned to eliminate duplicates Z: 29 24.246 2.173 0.762 0.447 0.893 0.571 CB 1.416 29 residues pruned to eliminate duplicates Z: 28 19.677 2.091 0.399 0.538 0.963 0.630 CB 1.295 28 residues pruned to eliminate duplicates Z: 19 14.318 2.084 0.637 0.454 0.778 0.667 CB 1.334 19 residues pruned to eliminate duplicates Z: 23 19.316 2.197 0.691 0.465 0.909 0.500 CB 1.264 23 residues pruned to eliminate duplicates Z: 19 12.581 2.064 0.667 0.463 0.833 0.722 CB 1.074 19 residues pruned to eliminate duplicates Z: 22 25.277 2.220 0.866 0.506 0.905 0.619 CB 1.462 22 residues pruned to eliminate duplicates Z: 24 15.043 2.010 0.394 0.466 0.870 0.609 CB 1.333 33 residues pruned to eliminate duplicates Z: 35 22.623 2.131 0.619 0.462 0.882 0.647 CB 1.325 35 residues pruned to eliminate duplicates Z: 8 5.874 1.836 0.047 0.745 1.000 0.714 CB 0.928 Z: 9 4.088 1.591 -0.050 0.797 1.000 0.750 CB 0.737 9 residues pruned to eliminate duplicates Z: 50 29.284 2.148 0.616 0.527 0.857 0.531 CB 1.369 56 residues pruned to eliminate duplicates Z: 18 17.828 1.867 0.615 0.678 0.882 0.412 CB 1.379 18 residues pruned to eliminate duplicates Z: 34 32.947 2.205 0.837 0.554 0.879 0.606 CB 1.529 34 residues pruned to eliminate duplicates Z: 45 26.794 2.069 0.486 0.471 0.864 0.477 CB 1.567 46 residues pruned to eliminate duplicates Z: 9 19.740 2.101 0.537 0.817 1.000 0.875 CB 1.641 9 residues pruned to eliminate duplicates Z: 51 32.919 2.147 0.609 0.539 0.960 0.560 CB 1.351 59 residues pruned to eliminate duplicates Z: 9 21.293 2.066 0.608 0.828 1.000 0.750 N 1.706 9 residues pruned to eliminate duplicates Z: 50 29.725 2.167 0.609 0.541 0.918 0.531 CB 1.275 50 residues pruned to eliminate duplicates Z: 44 24.448 2.089 0.656 0.516 0.860 0.628 CB 1.232 44 residues pruned to eliminate duplicates Z: 37 26.045 2.182 0.724 0.543 0.806 0.611 CB 1.373 37 residues pruned to eliminate duplicates Z: 22 16.610 2.082 0.559 0.551 0.810 0.619 CB 1.313 22 residues pruned to eliminate duplicates Z: 20 19.830 2.065 0.563 0.614 0.842 0.474 CB 1.502 20 residues pruned to eliminate duplicates Z: 23 19.125 2.042 0.545 0.576 0.864 0.591 CB 1.390 23 residues pruned to eliminate duplicates Z: 38 18.419 2.010 0.549 0.464 0.757 0.514 CB 1.333 38 residues pruned to eliminate duplicates Z: 13 6.552 1.864 0.172 0.396 0.917 0.500 CB 1.055 13 residues pruned to eliminate duplicates Z: 11 5.387 1.890 0.270 0.404 0.900 0.500 CB 0.872 11 residues pruned to eliminate duplicates Z: 27 12.768 2.019 0.161 0.522 0.808 0.538 CB 1.294 27 residues pruned to eliminate duplicates Z: 52 27.700 2.103 0.540 0.505 0.902 0.510 CB 1.321 52 residues pruned to eliminate duplicates Z: 50 25.247 2.084 0.572 0.519 0.878 0.510 CB 1.231 50 residues pruned to eliminate duplicates Z: 9 8.127 2.064 0.119 0.527 1.000 0.750 CB 1.212 9 residues pruned to eliminate duplicates Z: 18 9.530 2.001 0.195 0.477 0.882 0.529 CB 1.121 18 residues pruned to eliminate duplicates Z: 11 7.581 1.995 0.123 0.436 0.900 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 7 6.346 2.113 0.125 0.659 0.833 0.667 CB 1.128 7 residues pruned to eliminate duplicates Z: 30 14.047 2.040 0.329 0.525 0.724 0.552 CB 1.296 30 residues pruned to eliminate duplicates Z: 10 9.259 2.091 0.141 0.512 1.000 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 7 8.654 2.042 0.094 0.673 1.000 0.833 CB 1.348 7 residues pruned to eliminate duplicates Z: 52 26.863 2.039 0.474 0.549 0.922 0.647 CB 1.294 52 residues pruned to eliminate duplicates Z: 7 9.359 1.963 0.670 0.483 0.833 0.667 CB 1.423 9 residues pruned to eliminate duplicates Z: 8 7.922 1.754 0.648 0.534 1.000 0.714 CB 1.002 6 residues pruned to eliminate duplicates Z: 6 6.441 2.069 0.039 0.632 0.800 0.800 CB 1.480 6 residues pruned to eliminate duplicates Z: 50 31.472 2.081 0.592 0.541 0.939 0.714 CB 1.389 52 residues pruned to eliminate duplicates Z: 7 8.729 1.615 0.588 0.499 1.000 0.667 CA 1.391 7 residues pruned to eliminate duplicates Z: 17 9.470 1.813 0.457 0.404 0.875 0.500 CB 1.133 17 residues pruned to eliminate duplicates Z: 69 32.903 1.983 0.479 0.565 0.926 0.691 CB 1.379 67 residues pruned to eliminate duplicates Z: 7 13.176 2.001 0.736 0.643 0.833 0.833 CB 1.626 7 residues pruned to eliminate duplicates Z: 37 28.402 2.092 0.607 0.592 0.917 0.611 CB 1.408 37 residues pruned to eliminate duplicates Z: 49 28.261 2.070 0.541 0.493 0.896 0.646 CB 1.437 49 residues pruned to eliminate duplicates Z: 66 28.685 1.976 0.497 0.543 0.908 0.585 CB 1.270 67 residues pruned to eliminate duplicates Z: 6 5.673 2.085 0.211 0.352 1.000 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 59 26.017 2.028 0.356 0.476 0.931 0.569 CB 1.367 59 residues pruned to eliminate duplicates Z: 60 31.820 2.035 0.543 0.518 0.949 0.610 CB 1.366 60 residues pruned to eliminate duplicates Z: 56 27.066 2.007 0.402 0.539 0.927 0.691 CB 1.346 56 residues pruned to eliminate duplicates Z: 40 31.719 2.035 0.619 0.633 0.974 0.744 CB 1.396 40 residues pruned to eliminate duplicates Z: 42 26.882 1.994 0.478 0.557 0.927 0.707 CB 1.453 42 residues pruned to eliminate duplicates Z: 39 27.872 2.020 0.479 0.581 0.974 0.658 CB 1.438 39 residues pruned to eliminate duplicates Z: 68 31.613 1.987 0.505 0.585 0.896 0.657 CB 1.329 68 residues pruned to eliminate duplicates Z: 67 31.712 1.973 0.510 0.560 0.939 0.652 CB 1.315 67 residues pruned to eliminate duplicates Z: 29 30.413 2.081 0.781 0.584 0.964 0.571 CB 1.483 29 residues pruned to eliminate duplicates Z: 28 26.702 2.094 0.581 0.633 1.000 0.704 CB 1.370 28 residues pruned to eliminate duplicates Z: 38 27.023 1.982 0.638 0.571 0.973 0.649 CB 1.312 38 residues pruned to eliminate duplicates Z: 40 24.853 1.955 0.536 0.480 0.949 0.590 CB 1.426 40 residues pruned to eliminate duplicates Z: 48 26.764 2.028 0.512 0.505 0.957 0.553 CB 1.323 48 residues pruned to eliminate duplicates Z: 38 29.425 1.999 0.659 0.531 0.946 0.649 CB 1.496 38 residues pruned to eliminate duplicates Z: 33 17.902 1.891 0.334 0.591 0.875 0.656 CB 1.314 33 residues pruned to eliminate duplicates Z: 35 19.911 1.874 0.497 0.565 0.912 0.588 CB 1.253 35 residues pruned to eliminate duplicates Z: 16 16.683 2.072 0.587 0.496 0.933 0.600 CB 1.409 16 residues pruned to eliminate duplicates Z: 17 15.546 2.100 0.416 0.418 1.000 0.562 CB 1.423 17 residues pruned to eliminate duplicates Z: 55 25.599 1.990 0.497 0.484 0.889 0.537 CB 1.337 55 residues pruned to eliminate duplicates Z: 46 26.888 1.974 0.465 0.642 0.933 0.578 CB 1.301 46 residues pruned to eliminate duplicates Z: 25 16.862 2.032 0.353 0.458 0.958 0.542 CB 1.363 25 residues pruned to eliminate duplicates Z: 17 15.297 2.090 0.392 0.424 1.000 0.625 CB 1.422 17 residues pruned to eliminate duplicates Z: 16 14.245 2.108 0.543 0.352 0.933 0.333 CB 1.422 16 residues pruned to eliminate duplicates Z: 36 18.569 1.907 0.399 0.587 0.914 0.686 CB 1.184 36 residues pruned to eliminate duplicates Z: 46 32.881 1.976 0.612 0.665 0.978 0.644 CB 1.351 46 residues pruned to eliminate duplicates Z: 49 22.718 1.876 0.418 0.533 0.896 0.562 CB 1.332 49 residues pruned to eliminate duplicates Z: 60 27.613 1.992 0.469 0.556 0.932 0.695 CB 1.249 60 residues pruned to eliminate duplicates Z: 28 18.654 1.982 0.416 0.563 0.926 0.704 CB 1.300 28 residues pruned to eliminate duplicates Z: 68 29.679 1.980 0.461 0.579 0.910 0.716 CB 1.276 68 residues pruned to eliminate duplicates Z: 34 19.242 1.908 0.365 0.550 0.939 0.606 CB 1.304 34 residues pruned to eliminate duplicates Z: 11 11.952 1.845 0.122 0.924 1.000 1.000 CB 1.282 11 residues pruned to eliminate duplicates Z: 22 16.986 1.755 0.441 0.820 0.952 0.667 CB 1.167 22 residues pruned to eliminate duplicates Z: 19 20.871 1.791 0.800 0.829 0.944 0.778 CB 1.216 19 residues pruned to eliminate duplicates Z: 22 19.973 1.733 0.697 0.874 1.000 0.714 CB 1.078 22 residues pruned to eliminate duplicates Z: 69 30.579 1.958 0.540 0.531 0.926 0.559 CB 1.287 68 residues pruned to eliminate duplicates Z: 22 21.451 1.719 0.789 0.890 1.000 0.571 CB 1.095 24 residues pruned to eliminate duplicates Z: 18 19.207 1.805 0.815 0.864 0.941 0.588 CB 1.108 18 residues pruned to eliminate duplicates Z: 18 19.048 1.725 0.796 0.848 0.941 0.353 CB 1.176 18 residues pruned to eliminate duplicates Z: 15 12.828 1.766 0.566 0.722 0.929 0.643 CB 1.092 15 residues pruned to eliminate duplicates Z: 24 17.485 1.699 0.850 0.784 0.913 0.391 CB 0.990 24 residues pruned to eliminate duplicates Z: 34 20.393 1.911 0.563 0.564 0.939 0.515 CB 1.190 34 residues pruned to eliminate duplicates Z: 63 30.016 1.962 0.626 0.544 0.935 0.581 CB 1.224 63 residues pruned to eliminate duplicates Z: 67 30.402 1.979 0.576 0.569 0.894 0.561 CB 1.256 67 residues pruned to eliminate duplicates Z: 29 21.339 1.985 0.267 0.693 0.964 0.821 CB 1.393 29 residues pruned to eliminate duplicates Z: 28 21.978 2.008 0.412 0.670 0.889 0.556 CB 1.434 28 residues pruned to eliminate duplicates Z: 28 21.230 2.007 0.363 0.685 0.963 0.741 CB 1.308 28 residues pruned to eliminate duplicates Z: 28 20.851 2.026 0.346 0.678 0.926 0.667 CB 1.349 28 residues pruned to eliminate duplicates Z: 27 23.023 2.033 0.387 0.673 0.962 0.692 CB 1.420 28 residues pruned to eliminate duplicates Z: 16 27.183 2.144 0.628 0.847 0.933 0.800 CA 1.599 16 residues pruned to eliminate duplicates Z: 31 20.288 1.918 0.436 0.632 0.933 0.767 CB 1.273 31 residues pruned to eliminate duplicates Z: 22 26.706 2.004 0.688 0.627 0.952 0.619 CB 1.605 20 residues pruned to eliminate duplicates Z: 17 31.516 2.121 0.735 0.838 1.000 0.625 CA 1.600 21 residues pruned to eliminate duplicates Z: 17 26.381 2.113 0.583 0.850 0.938 0.750 CA 1.557 17 residues pruned to eliminate duplicates Z: 17 28.720 2.092 0.873 0.856 0.875 0.500 CA 1.544 17 residues pruned to eliminate duplicates Z: 28 24.313 1.994 0.647 0.677 0.926 0.519 CB 1.308 25 residues pruned to eliminate duplicates Z: 16 34.521 2.088 0.964 0.891 1.000 0.533 CA 1.563 16 residues pruned to eliminate duplicates Z: 29 24.095 1.943 0.693 0.646 0.929 0.679 CB 1.301 28 residues pruned to eliminate duplicates Z: 17 28.606 2.073 0.991 0.804 0.875 0.562 CA 1.519 17 residues pruned to eliminate duplicates Z: 26 21.820 1.945 0.760 0.703 0.880 0.560 CB 1.204 26 residues pruned to eliminate duplicates Z: 27 25.038 1.955 0.621 0.726 0.923 0.615 CB 1.369 27 residues pruned to eliminate duplicates Z: 18 26.314 2.055 0.833 0.801 0.882 0.588 CB 1.476 18 residues pruned to eliminate duplicates Z: 23 21.866 1.959 0.670 0.685 0.864 0.364 CB 1.393 23 residues pruned to eliminate duplicates Z: 26 20.490 1.983 0.509 0.678 0.880 0.520 CB 1.322 26 residues pruned to eliminate duplicates Z: 12 2.504 1.660 0.297 0.438 0.727 0.364 CB 0.514 12 residues pruned to eliminate duplicates Z: 59 30.848 2.115 0.549 0.548 0.862 0.569 CB 1.368 73 residues pruned to eliminate duplicates Z: 6 4.544 1.673 0.457 0.404 0.800 0.200 CB 1.152 6 residues pruned to eliminate duplicates Z: 33 18.320 2.160 0.472 0.457 0.781 0.531 CB 1.362 33 residues pruned to eliminate duplicates Z: 16 18.947 2.119 0.724 0.614 0.867 0.600 CB 1.388 16 residues pruned to eliminate duplicates Z: 34 28.450 2.201 0.752 0.482 0.939 0.576 CB 1.393 34 residues pruned to eliminate duplicates Z: 44 32.160 2.137 0.714 0.531 0.953 0.512 CB 1.361 44 residues pruned to eliminate duplicates Z: 37 25.008 2.181 0.662 0.478 0.833 0.472 CB 1.410 37 residues pruned to eliminate duplicates Z: 75 45.956 2.276 0.514 0.667 0.851 0.757 CB 1.560 75 residues pruned to eliminate duplicates Z: 27 22.350 2.027 0.632 0.682 0.846 0.577 CB 1.324 27 residues pruned to eliminate duplicates Z: 58 29.587 2.113 0.493 0.541 0.807 0.614 CB 1.478 58 residues pruned to eliminate duplicates Z: 92 52.217 2.241 0.631 0.643 0.890 0.648 CB 1.472 93 residues pruned to eliminate duplicates Z: 11 19.138 2.162 0.673 0.853 0.900 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 41 22.879 2.124 0.651 0.466 0.875 0.625 CB 1.220 41 residues pruned to eliminate duplicates Z: 38 24.250 2.164 0.650 0.460 0.892 0.595 CB 1.303 38 residues pruned to eliminate duplicates Z: 37 28.167 2.169 0.903 0.499 0.833 0.472 CB 1.365 37 residues pruned to eliminate duplicates Z: 47 22.439 1.996 0.621 0.529 0.804 0.478 CB 1.235 47 residues pruned to eliminate duplicates Z: 31 21.123 2.140 0.715 0.456 0.867 0.533 CB 1.268 31 residues pruned to eliminate duplicates Z: 43 27.950 2.160 0.758 0.548 0.786 0.524 CB 1.379 43 residues pruned to eliminate duplicates Z: 37 29.342 2.166 0.776 0.520 0.917 0.583 CB 1.360 37 residues pruned to eliminate duplicates Z: 101 55.121 2.185 0.590 0.654 0.940 0.650 CB 1.463 101 residues pruned to eliminate duplicates Z: 47 29.841 2.069 0.801 0.513 0.891 0.543 CB 1.307 47 residues pruned to eliminate duplicates Z: 51 23.278 2.135 0.562 0.434 0.800 0.580 CB 1.322 51 residues pruned to eliminate duplicates Z: 34 29.703 2.249 0.823 0.537 0.879 0.606 CB 1.384 34 residues pruned to eliminate duplicates Z: 62 43.762 2.294 0.580 0.619 0.918 0.689 CB 1.505 62 residues pruned to eliminate duplicates Z: 33 22.679 2.144 0.449 0.484 0.906 0.594 CB 1.447 33 residues pruned to eliminate duplicates Z: 43 27.456 2.111 0.762 0.503 0.881 0.571 CB 1.289 43 residues pruned to eliminate duplicates Z: 37 20.667 2.119 0.541 0.426 0.833 0.639 CB 1.366 37 residues pruned to eliminate duplicates Z: 42 26.170 2.155 0.663 0.492 0.854 0.634 CB 1.346 42 residues pruned to eliminate duplicates Z: 45 25.681 2.118 0.594 0.484 0.818 0.568 CB 1.425 45 residues pruned to eliminate duplicates Z: 17 12.520 2.107 0.402 0.393 0.875 0.562 CB 1.356 17 residues pruned to eliminate duplicates Z: 67 50.280 2.252 0.597 0.695 0.879 0.667 CB 1.640 67 residues pruned to eliminate duplicates Z: 83 44.459 2.178 0.574 0.606 0.890 0.671 CB 1.454 83 residues pruned to eliminate duplicates Z: 60 43.960 2.279 0.730 0.590 0.881 0.627 CB 1.511 60 residues pruned to eliminate duplicates Z: 99 59.957 2.184 0.727 0.661 0.929 0.704 CB 1.490 99 residues pruned to eliminate duplicates Z: 50 42.189 2.318 0.594 0.635 0.939 0.673 CB 1.531 50 residues pruned to eliminate duplicates Z: 76 59.338 2.268 0.782 0.645 0.933 0.693 CB 1.586 76 residues pruned to eliminate duplicates Z: 56 57.950 2.280 0.790 0.764 0.927 0.800 CB 1.634 56 residues pruned to eliminate duplicates Z: 88 58.345 2.284 0.699 0.685 0.885 0.713 CB 1.536 88 residues pruned to eliminate duplicates Z: 85 60.026 2.254 0.797 0.676 0.881 0.607 CB 1.560 85 residues pruned to eliminate duplicates Z: 89 60.717 2.233 0.766 0.651 0.909 0.693 CB 1.569 89 residues pruned to eliminate duplicates Z: 89 50.931 2.238 0.564 0.680 0.864 0.670 CB 1.522 89 residues pruned to eliminate duplicates Z: 76 48.422 2.226 0.646 0.646 0.893 0.627 CB 1.491 76 residues pruned to eliminate duplicates Z: 69 59.283 2.250 0.858 0.669 0.926 0.706 CB 1.588 66 residues pruned to eliminate duplicates Z: 31 38.479 2.223 0.487 0.869 0.967 0.900 CA 1.605 31 residues pruned to eliminate duplicates Z: 56 60.349 2.284 0.831 0.769 0.982 0.673 CB 1.562 59 residues pruned to eliminate duplicates Z: 31 39.720 2.210 0.455 0.945 0.967 0.933 CB 1.615 31 residues pruned to eliminate duplicates Z: 88 57.654 2.215 0.777 0.657 0.931 0.667 CB 1.457 87 residues pruned to eliminate duplicates Z: 29 47.072 2.335 0.584 0.917 1.000 0.750 CA 1.698 29 residues pruned to eliminate duplicates Z: 65 60.215 2.305 0.829 0.710 0.938 0.672 CB 1.574 65 residues pruned to eliminate duplicates Z: 47 44.605 2.268 0.650 0.708 0.935 0.739 CB 1.556 47 residues pruned to eliminate duplicates Z: 86 61.506 2.239 0.728 0.681 0.965 0.671 CB 1.514 86 residues pruned to eliminate duplicates Z: 88 64.046 2.278 0.776 0.692 0.908 0.713 CB 1.568 88 residues pruned to eliminate duplicates Z: 44 52.619 2.297 0.892 0.745 0.953 0.698 CB 1.555 44 residues pruned to eliminate duplicates Z: 89 65.136 2.270 0.851 0.672 0.920 0.659 CB 1.532 89 residues pruned to eliminate duplicates Z: 46 46.658 2.254 0.775 0.741 0.911 0.733 CB 1.538 46 residues pruned to eliminate duplicates Z: 66 53.251 2.272 0.732 0.691 0.923 0.631 CB 1.526 66 residues pruned to eliminate duplicates Z: 70 60.882 2.293 0.866 0.664 0.957 0.739 CB 1.538 70 residues pruned to eliminate duplicates Z: 90 61.976 2.258 0.929 0.671 0.865 0.607 CB 1.488 90 residues pruned to eliminate duplicates Z: 96 56.729 2.189 0.828 0.622 0.884 0.547 CB 1.466 96 residues pruned to eliminate duplicates Z: 95 56.838 2.160 0.863 0.614 0.904 0.574 CB 1.446 95 residues pruned to eliminate duplicates Z: 81 53.489 2.236 0.814 0.617 0.875 0.538 CB 1.510 81 residues pruned to eliminate duplicates Z: 111 58.102 2.182 0.821 0.630 0.864 0.473 CB 1.429 111 residues pruned to eliminate duplicates Z: 39 56.484 2.245 0.992 0.839 0.974 0.526 CB 1.572 40 residues pruned to eliminate duplicates Z: 31 54.735 2.277 1.024 0.928 0.933 0.433 CB 1.627 31 residues pruned to eliminate duplicates Z: 72 42.586 2.164 0.804 0.542 0.831 0.535 CB 1.494 72 residues pruned to eliminate duplicates Z: 87 55.899 2.242 0.845 0.631 0.907 0.523 CB 1.420 87 residues pruned to eliminate duplicates Z: 57 58.626 2.229 0.957 0.772 0.929 0.554 CB 1.520 57 residues pruned to eliminate duplicates Z: 35 47.145 2.164 0.911 0.781 0.912 0.559 CB 1.674 35 residues pruned to eliminate duplicates Z: 89 64.098 2.276 0.879 0.673 0.909 0.511 CB 1.497 89 residues pruned to eliminate duplicates Z: 99 63.777 2.224 0.851 0.676 0.908 0.582 CB 1.466 99 residues pruned to eliminate duplicates Z: 83 54.156 2.214 0.832 0.601 0.890 0.463 CB 1.504 83 residues pruned to eliminate duplicates Z: 49 50.732 2.201 0.849 0.761 0.917 0.562 CB 1.557 49 residues pruned to eliminate duplicates Z: 91 60.763 2.235 0.854 0.678 0.900 0.589 CB 1.458 91 residues pruned to eliminate duplicates Z: 86 59.353 2.266 0.782 0.659 0.906 0.541 CB 1.519 86 residues pruned to eliminate duplicates Z: 14 26.705 2.174 0.922 0.752 0.923 0.538 CB 1.534 14 residues pruned to eliminate duplicates Z: 47 52.889 2.212 0.877 0.820 0.935 0.478 CB 1.522 47 residues pruned to eliminate duplicates Z: 18 22.200 2.045 0.896 0.649 0.882 0.412 CB 1.370 18 residues pruned to eliminate duplicates Z: 17 24.443 1.953 0.923 0.782 0.875 0.688 CB 1.451 17 residues pruned to eliminate duplicates Z: 18 23.989 2.049 1.008 0.652 0.882 0.412 CB 1.392 18 residues pruned to eliminate duplicates Z: 17 19.276 2.064 0.806 0.624 0.812 0.562 CB 1.416 17 residues pruned to eliminate duplicates Z: 91 58.065 2.242 0.818 0.667 0.900 0.578 CB 1.429 91 residues pruned to eliminate duplicates Z: 56 61.916 2.293 0.968 0.774 0.945 0.491 CB 1.536 56 residues pruned to eliminate duplicates Z: 17 23.013 1.859 0.891 0.824 0.938 0.562 CB 1.318 17 residues pruned to eliminate duplicates Z: 18 24.567 2.025 0.809 0.677 0.941 0.471 CB 1.468 18 residues pruned to eliminate duplicates Z: 14 25.850 2.062 0.871 0.869 0.923 0.538 CB 1.471 13 residues pruned to eliminate duplicates Z: 17 24.067 1.873 0.942 0.858 1.000 0.625 CB 1.218 17 residues pruned to eliminate duplicates 1022 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 10 D: 7 E: 13 F: 36 G: 19 H: 15 I: 22 J: 9 K: 12 L: 46 M: 30 N: 57 O: 20 P: 219 Q: 23 R: 23 S: 13 T: 14 U: 58 V: 35 W: 43 X: 16 Y: 38 Z: 51 Z: 67 Z: 111 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.59 % ------------------------------------------------------------------------------ Global autotracing cycle 10 = 0.300, Contrast = 0.506, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.671, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.679, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.679, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.680, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.785 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7608 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1657 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 28.879 2.157 0.739 0.912 1.000 1.000 CA 1.513 B: 30 43.284 2.325 0.470 0.928 0.966 0.862 CA 1.705 C: 13 29.487 2.224 0.772 0.910 0.917 0.917 CA 1.671 D: 13 32.730 2.316 0.774 0.909 1.000 0.750 CA 1.632 13 residues pruned to eliminate duplicates E: 13 35.006 2.287 0.855 0.919 1.000 0.833 CA 1.678 13 residues pruned to eliminate duplicates F: 11 32.617 2.316 0.981 0.899 1.000 0.600 CB 1.607 G: 14 30.408 2.175 0.845 0.905 1.000 0.923 CA 1.496 14 residues pruned to eliminate duplicates H: 13 29.246 2.263 0.783 0.866 0.917 0.667 CA 1.671 13 residues pruned to eliminate duplicates I: 17 19.405 1.756 0.692 0.772 0.938 0.688 CB 1.370 J: 13 28.432 2.325 0.588 0.883 1.000 0.833 CB 1.607 13 residues pruned to eliminate duplicates K: 13 25.088 2.087 0.465 0.867 1.000 0.500 CB 1.733 L: 20 23.183 1.983 0.368 0.837 0.947 0.684 CA 1.547 M: 13 37.509 2.282 0.930 0.940 1.000 0.583 CA 1.707 13 residues pruned to eliminate duplicates N: 12 34.794 2.362 0.740 0.908 1.000 0.818 CA 1.813 12 residues pruned to eliminate duplicates O: 11 28.019 2.330 0.771 0.907 0.900 0.800 CB 1.696 11 residues pruned to eliminate duplicates P: 12 22.024 2.048 0.695 0.899 0.909 0.727 CB 1.504 Q: 12 24.552 2.145 0.675 0.872 1.000 0.818 CA 1.502 11 residues pruned to eliminate duplicates R: 15 23.820 1.950 0.739 0.881 0.929 0.571 CB 1.464 13 residues pruned to eliminate duplicates S: 16 27.466 2.045 0.699 0.905 0.933 0.733 CB 1.556 T: 12 31.169 2.183 0.871 0.905 1.000 0.909 CA 1.638 12 residues pruned to eliminate duplicates U: 29 32.929 1.962 0.592 0.920 0.964 0.893 CB 1.455 V: 12 20.467 2.094 0.567 0.828 0.909 0.727 CB 1.557 12 residues pruned to eliminate duplicates W: 11 27.084 2.309 0.901 0.838 0.900 0.500 CB 1.621 11 residues pruned to eliminate duplicates X: 15 27.546 1.931 0.787 0.876 1.000 0.714 CB 1.550 15 residues pruned to eliminate duplicates Y: 6 12.163 1.956 0.852 0.751 1.000 0.600 CA 1.200 Z: 20 25.860 2.036 0.536 0.818 0.947 0.684 CB 1.519 19 residues pruned to eliminate duplicates Z: 14 24.833 2.125 0.645 0.894 0.846 0.615 CB 1.670 15 residues pruned to eliminate duplicates Z: 33 39.296 2.023 0.666 0.961 1.000 0.969 CA 1.411 Z: 44 53.240 2.156 0.905 0.874 0.953 0.651 CB 1.508 30 residues pruned to eliminate duplicates Z: 12 25.146 2.277 0.496 0.883 1.000 0.545 CA 1.609 12 residues pruned to eliminate duplicates Z: 16 26.214 2.069 0.650 0.875 0.933 0.733 CA 1.544 15 residues pruned to eliminate duplicates Z: 31 43.729 2.256 0.494 0.931 1.000 0.900 CA 1.656 31 residues pruned to eliminate duplicates Z: 29 43.865 2.203 0.675 0.953 1.000 0.964 CA 1.546 33 residues pruned to eliminate duplicates Z: 18 36.364 2.354 0.617 0.927 1.000 0.824 CB 1.623 18 residues pruned to eliminate duplicates Z: 31 40.203 2.095 0.636 0.923 1.000 0.900 CA 1.505 31 residues pruned to eliminate duplicates Z: 9 23.839 2.165 0.774 0.877 1.000 0.750 CA 1.593 Z: 12 37.143 2.389 0.820 0.887 1.000 0.455 CA 1.858 12 residues pruned to eliminate duplicates Z: 11 27.376 2.384 0.643 0.878 1.000 1.000 CA 1.603 11 residues pruned to eliminate duplicates Z: 10 18.088 1.816 0.653 0.812 1.000 0.889 CA 1.530 10 residues pruned to eliminate duplicates Z: 13 26.462 2.209 0.735 0.898 0.917 0.917 CA 1.555 13 residues pruned to eliminate duplicates Z: 15 22.815 2.092 0.440 0.886 0.929 0.857 CA 1.572 15 residues pruned to eliminate duplicates Z: 9 23.258 2.157 0.778 0.880 1.000 0.750 CB 1.554 9 residues pruned to eliminate duplicates Z: 15 32.887 2.226 0.641 0.928 1.000 0.786 CB 1.685 16 residues pruned to eliminate duplicates Z: 15 20.154 1.962 0.512 0.812 0.929 0.571 CB 1.489 15 residues pruned to eliminate duplicates Z: 16 32.791 2.192 0.881 0.911 0.867 0.600 CA 1.679 16 residues pruned to eliminate duplicates Z: 11 21.757 2.281 0.436 0.833 1.000 0.800 CB 1.576 Z: 14 27.920 2.177 0.691 0.915 1.000 0.769 CB 1.487 14 residues pruned to eliminate duplicates Z: 8 13.711 1.958 0.745 0.613 0.857 0.857 N 1.591 Z: 22 50.701 2.304 1.064 0.927 1.000 1.000 CB 1.630 29 residues pruned to eliminate duplicates Z: 14 26.270 2.197 0.508 0.861 0.923 0.615 CB 1.751 14 residues pruned to eliminate duplicates Z: 12 22.859 1.987 0.720 0.899 0.909 0.727 CB 1.585 11 residues pruned to eliminate duplicates Z: 34 28.538 2.250 0.665 0.528 0.879 0.667 CB 1.468 Z: 9 17.835 2.157 0.547 0.803 0.875 0.625 CB 1.657 9 residues pruned to eliminate duplicates Z: 11 23.616 2.213 0.451 0.860 1.000 0.700 CB 1.710 11 residues pruned to eliminate duplicates Z: 12 32.219 2.338 0.637 0.905 1.000 0.727 CA 1.807 12 residues pruned to eliminate duplicates Z: 28 54.800 2.320 1.022 0.946 1.000 0.519 CB 1.555 28 residues pruned to eliminate duplicates Z: 10 19.762 2.424 0.328 0.853 0.889 0.889 CB 1.703 10 residues pruned to eliminate duplicates Z: 9 29.223 2.132 0.992 0.869 1.000 0.875 CB 1.777 9 residues pruned to eliminate duplicates Z: 25 32.069 2.046 0.603 0.909 0.958 0.792 CA 1.478 25 residues pruned to eliminate duplicates Z: 16 22.195 2.070 0.731 0.780 0.867 0.600 CB 1.442 16 residues pruned to eliminate duplicates Z: 11 20.029 2.171 0.461 0.914 0.900 0.700 CB 1.570 11 residues pruned to eliminate duplicates Z: 31 49.775 2.238 0.708 0.944 1.000 0.800 CB 1.647 31 residues pruned to eliminate duplicates Z: 12 13.558 1.974 0.468 0.806 0.818 0.727 CA 1.320 12 residues pruned to eliminate duplicates Z: 12 30.512 2.142 1.341 0.921 0.909 0.455 CB 1.421 12 residues pruned to eliminate duplicates Z: 18 23.860 1.993 0.531 0.825 1.000 0.765 CA 1.431 Z: 16 30.728 2.046 0.940 0.893 0.933 0.600 CB 1.538 16 residues pruned to eliminate duplicates Z: 26 38.349 2.233 0.562 0.951 0.960 0.920 CA 1.579 26 residues pruned to eliminate duplicates Z: 15 17.931 1.956 0.421 0.819 0.857 0.500 N 1.524 15 residues pruned to eliminate duplicates Z: 13 20.281 2.065 0.409 0.822 1.000 0.750 CA 1.522 13 residues pruned to eliminate duplicates Z: 29 50.870 2.321 0.794 0.931 0.964 0.786 CB 1.674 29 residues pruned to eliminate duplicates Z: 37 18.741 1.905 0.526 0.482 0.861 0.472 CB 1.270 Z: 43 22.043 2.102 0.479 0.436 0.881 0.619 CB 1.327 43 residues pruned to eliminate duplicates Z: 17 23.678 1.884 0.578 0.867 1.000 0.750 CA 1.456 Z: 16 13.557 1.881 0.509 0.695 0.733 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 12 17.323 2.133 0.392 0.851 1.000 0.818 CB 1.302 12 residues pruned to eliminate duplicates Z: 22 36.938 2.174 0.935 0.888 0.905 0.619 CB 1.526 22 residues pruned to eliminate duplicates Z: 16 19.459 1.960 0.333 0.863 0.933 0.667 CA 1.511 16 residues pruned to eliminate duplicates Z: 39 33.213 2.005 0.815 0.735 0.974 0.447 CB 1.232 Z: 14 33.664 2.235 0.986 0.924 0.923 0.385 CB 1.600 15 residues pruned to eliminate duplicates Z: 17 27.034 2.051 0.601 0.872 1.000 0.812 CA 1.501 18 residues pruned to eliminate duplicates Z: 27 43.171 2.271 0.908 0.937 0.846 0.346 CB 1.607 27 residues pruned to eliminate duplicates Z: 48 25.584 2.060 0.561 0.436 0.851 0.511 CB 1.457 19 residues pruned to eliminate duplicates Z: 31 38.704 2.254 0.428 0.926 1.000 0.900 CA 1.540 31 residues pruned to eliminate duplicates Z: 7 12.610 1.788 0.946 0.759 1.000 0.833 CA 1.175 7 residues pruned to eliminate duplicates Z: 12 25.495 2.258 0.602 0.897 0.909 0.364 CB 1.673 12 residues pruned to eliminate duplicates Z: 15 24.074 1.905 0.614 0.894 1.000 0.857 CB 1.501 15 residues pruned to eliminate duplicates Z: 18 13.397 1.776 0.515 0.430 0.882 0.588 CB 1.472 Z: 24 38.903 2.088 0.832 0.915 1.000 0.696 CB 1.499 28 residues pruned to eliminate duplicates Z: 39 17.276 1.832 0.239 0.553 0.895 0.684 CB 1.311 30 residues pruned to eliminate duplicates Z: 31 41.910 2.235 0.602 0.891 1.000 0.767 CA 1.537 30 residues pruned to eliminate duplicates Z: 8 16.497 2.018 0.364 0.858 1.000 1.000 CB 1.668 Z: 11 25.742 2.330 0.617 0.870 1.000 0.900 CB 1.578 11 residues pruned to eliminate duplicates Z: 30 51.240 2.284 0.911 0.914 0.931 0.552 CB 1.656 30 residues pruned to eliminate duplicates Z: 30 44.074 2.287 0.507 0.933 0.966 0.931 CA 1.717 30 residues pruned to eliminate duplicates Z: 53 34.016 2.226 0.776 0.412 0.827 0.538 CB 1.581 18 residues pruned to eliminate duplicates Z: 15 23.086 1.943 0.580 0.843 0.929 0.500 N 1.612 15 residues pruned to eliminate duplicates Z: 9 14.613 2.016 0.471 0.862 0.875 0.750 CB 1.462 Z: 11 15.338 1.726 0.518 0.787 1.000 0.600 O 1.439 11 residues pruned to eliminate duplicates Z: 12 31.213 2.143 0.885 0.921 1.000 0.818 CA 1.639 12 residues pruned to eliminate duplicates Z: 12 22.107 2.048 0.627 0.854 0.909 0.727 CA 1.625 Z: 15 29.541 2.181 0.593 0.911 0.929 0.786 CB 1.734 15 residues pruned to eliminate duplicates Z: 6 14.459 2.075 0.790 0.873 1.000 0.800 CB 1.268 6 residues pruned to eliminate duplicates Z: 27 20.187 2.114 0.623 0.447 0.846 0.577 CB 1.440 Z: 8 19.375 2.103 0.718 0.898 1.000 0.857 CA 1.450 8 residues pruned to eliminate duplicates Z: 9 24.971 2.152 0.789 0.887 1.000 0.875 CB 1.653 9 residues pruned to eliminate duplicates Z: 18 23.261 2.056 0.509 0.786 0.941 0.647 CA 1.502 18 residues pruned to eliminate duplicates Z: 11 9.037 1.927 0.211 0.438 0.900 0.600 CB 1.451 Z: 13 15.790 1.848 0.442 0.805 0.917 0.750 CB 1.430 13 residues pruned to eliminate duplicates Z: 12 13.531 2.104 0.180 0.861 1.000 0.818 CB 1.207 12 residues pruned to eliminate duplicates Z: 21 21.323 1.790 0.679 0.892 0.900 0.800 CB 1.266 21 residues pruned to eliminate duplicates Z: 28 40.080 2.195 0.645 0.928 1.000 0.963 CA 1.496 22 residues pruned to eliminate duplicates Z: 31 50.370 2.229 0.829 0.924 1.000 0.633 CB 1.585 31 residues pruned to eliminate duplicates Z: 18 30.099 1.982 0.975 0.895 0.882 0.529 CA 1.515 16 residues pruned to eliminate duplicates Z: 20 14.693 2.115 0.575 0.416 0.842 0.579 CB 1.312 20 residues pruned to eliminate duplicates Z: 12 17.849 2.018 0.482 0.823 1.000 0.727 CB 1.360 12 residues pruned to eliminate duplicates Z: 18 30.529 2.009 0.753 0.853 1.000 0.647 CB 1.554 18 residues pruned to eliminate duplicates Z: 29 39.168 2.215 0.487 0.919 1.000 0.893 CA 1.584 29 residues pruned to eliminate duplicates Z: 23 49.486 2.260 1.096 0.939 1.000 0.818 CA 1.549 23 residues pruned to eliminate duplicates Z: 15 34.119 2.160 0.852 0.877 0.929 0.571 CA 1.782 15 residues pruned to eliminate duplicates Z: 7 9.714 1.917 0.304 0.580 1.000 0.833 CB 1.469 7 residues pruned to eliminate duplicates Z: 16 28.802 2.053 0.690 0.899 1.000 0.667 CB 1.533 14 residues pruned to eliminate duplicates Z: 14 29.249 2.232 0.669 0.926 0.923 0.385 CB 1.654 14 residues pruned to eliminate duplicates Z: 10 13.085 1.943 0.300 0.838 0.889 0.667 CB 1.452 9 residues pruned to eliminate duplicates Z: 32 39.213 2.194 0.441 0.916 1.000 0.839 CA 1.573 32 residues pruned to eliminate duplicates Z: 6 8.991 2.273 0.531 0.493 0.800 0.400 CB 1.454 6 residues pruned to eliminate duplicates Z: 48 28.280 2.025 0.623 0.527 0.936 0.553 CB 1.305 25 residues pruned to eliminate duplicates Z: 15 33.742 2.177 0.944 0.914 0.929 0.643 CB 1.624 15 residues pruned to eliminate duplicates Z: 18 25.652 2.072 0.469 0.822 1.000 0.706 CA 1.547 18 residues pruned to eliminate duplicates Z: 29 28.913 1.916 0.610 0.866 0.929 0.464 CB 1.396 Z: 9 10.361 1.721 0.551 0.728 0.875 0.625 CA 1.277 Z: 9 18.816 1.986 0.632 0.811 1.000 0.875 N 1.565 8 residues pruned to eliminate duplicates Z: 21 23.620 1.917 0.738 0.742 0.900 0.600 N 1.418 21 residues pruned to eliminate duplicates Z: 31 49.490 2.239 0.826 0.914 0.967 0.767 CB 1.617 31 residues pruned to eliminate duplicates Z: 23 32.202 2.075 0.563 0.909 0.955 0.909 CA 1.574 23 residues pruned to eliminate duplicates Z: 17 26.714 2.152 0.618 0.854 0.875 0.812 CA 1.620 16 residues pruned to eliminate duplicates Z: 25 31.707 1.965 0.655 0.905 0.875 0.708 CB 1.619 23 residues pruned to eliminate duplicates Z: 12 20.799 2.011 0.644 0.895 0.909 0.455 CB 1.495 12 residues pruned to eliminate duplicates Z: 15 21.066 1.994 0.505 0.858 0.857 0.571 CB 1.611 15 residues pruned to eliminate duplicates Z: 10 19.819 1.982 1.082 0.858 0.889 0.444 CA 1.327 10 residues pruned to eliminate duplicates Z: 40 29.210 1.985 0.824 0.719 0.846 0.385 CB 1.253 40 residues pruned to eliminate duplicates Z: 31 58.541 2.145 1.096 0.919 1.000 0.733 CA 1.675 31 residues pruned to eliminate duplicates Z: 16 24.139 2.049 0.703 0.918 0.933 0.667 CA 1.349 16 residues pruned to eliminate duplicates Z: 28 50.493 2.209 0.926 0.936 1.000 0.778 CA 1.591 28 residues pruned to eliminate duplicates Z: 36 22.924 2.207 0.661 0.514 0.714 0.543 CB 1.459 35 residues pruned to eliminate duplicates Z: 8 12.611 1.818 0.677 0.781 1.000 0.714 CA 1.220 8 residues pruned to eliminate duplicates Z: 30 44.380 2.297 0.789 0.929 0.897 0.586 CB 1.565 30 residues pruned to eliminate duplicates Z: 28 29.882 1.919 0.616 0.919 1.000 0.852 CA 1.307 27 residues pruned to eliminate duplicates Z: 9 12.640 1.949 0.466 0.686 0.875 0.625 N 1.507 9 residues pruned to eliminate duplicates Z: 14 21.867 1.980 0.611 0.838 0.923 0.846 CB 1.539 14 residues pruned to eliminate duplicates Z: 8 15.109 1.914 0.398 0.866 1.000 0.714 CA 1.563 9 residues pruned to eliminate duplicates Z: 12 29.058 2.071 0.828 0.880 1.000 0.727 CA 1.676 12 residues pruned to eliminate duplicates Z: 10 14.467 1.898 0.247 0.884 0.889 0.889 O 1.655 10 residues pruned to eliminate duplicates Z: 10 14.353 1.790 0.467 0.741 1.000 0.667 O 1.468 10 residues pruned to eliminate duplicates Z: 17 30.186 2.068 0.803 0.870 0.938 0.750 CA 1.576 18 residues pruned to eliminate duplicates Z: 8 6.636 1.903 0.712 0.189 0.857 0.429 CB 1.304 Z: 33 37.217 2.013 0.722 0.850 0.906 0.500 CB 1.551 33 residues pruned to eliminate duplicates Z: 6 6.661 2.104 0.724 0.678 1.000 0.600 CB 0.697 Z: 12 17.974 2.123 0.386 0.844 0.909 0.909 CB 1.508 12 residues pruned to eliminate duplicates Z: 31 39.521 2.117 0.612 0.926 0.967 0.900 CA 1.533 31 residues pruned to eliminate duplicates Z: 7 3.494 1.772 0.808 0.762 1.000 0.833 CB 0.353 7 residues pruned to eliminate duplicates Z: 30 35.917 1.964 0.565 0.910 1.000 0.586 CB 1.539 31 residues pruned to eliminate duplicates Z: 31 35.035 2.262 0.231 0.922 1.000 0.867 CA 1.616 31 residues pruned to eliminate duplicates Z: 17 22.115 2.040 0.345 0.840 1.000 0.938 CA 1.504 17 residues pruned to eliminate duplicates Z: 28 43.011 2.230 0.727 0.951 1.000 0.963 CA 1.481 28 residues pruned to eliminate duplicates Z: 22 35.149 2.054 0.865 0.907 1.000 0.714 CB 1.423 22 residues pruned to eliminate duplicates Z: 8 21.398 2.137 0.650 0.868 1.000 0.714 CB 1.677 8 residues pruned to eliminate duplicates Z: 9 5.238 1.851 0.311 0.418 0.750 0.625 CB 1.108 Z: 9 15.705 1.973 0.374 0.844 1.000 0.875 N 1.524 9 residues pruned to eliminate duplicates Z: 26 27.349 1.906 0.646 0.876 0.840 0.600 CB 1.508 26 residues pruned to eliminate duplicates Z: 18 15.879 1.830 0.557 0.868 0.941 0.706 CB 1.050 Z: 14 8.936 1.745 0.174 0.769 0.923 0.769 CB 1.033 Z: 29 33.965 1.994 0.401 0.931 1.000 0.857 CA 1.605 29 residues pruned to eliminate duplicates Z: 34 28.171 2.265 0.668 0.510 0.909 0.545 CB 1.414 35 residues pruned to eliminate duplicates Z: 7 7.765 1.751 0.221 0.718 0.833 0.667 CA 1.461 Z: 7 13.909 2.049 0.759 0.808 0.833 0.667 CA 1.444 Z: 16 20.016 2.016 0.670 0.762 0.867 0.600 CB 1.404 16 residues pruned to eliminate duplicates Z: 21 29.761 1.974 0.850 0.907 0.900 0.700 CB 1.439 21 residues pruned to eliminate duplicates Z: 30 50.197 2.162 1.091 0.913 0.966 0.345 CB 1.511 30 residues pruned to eliminate duplicates Z: 26 36.310 1.999 0.801 0.925 1.000 0.840 CA 1.415 26 residues pruned to eliminate duplicates Z: 6 9.781 2.296 0.120 0.567 1.000 0.400 CB 1.594 6 residues pruned to eliminate duplicates Z: 7 4.517 1.651 0.436 0.546 0.667 0.500 CB 1.115 Z: 29 38.755 1.962 0.874 0.932 0.964 0.821 CB 1.443 26 residues pruned to eliminate duplicates Z: 31 47.052 2.108 0.877 0.924 0.967 0.600 CB 1.577 31 residues pruned to eliminate duplicates Z: 21 26.825 1.994 0.806 0.927 0.900 0.450 CB 1.296 21 residues pruned to eliminate duplicates Z: 11 20.678 2.225 0.305 0.851 1.000 0.900 CB 1.668 11 residues pruned to eliminate duplicates Z: 30 38.001 1.966 0.578 0.924 1.000 0.828 CB 1.598 30 residues pruned to eliminate duplicates Z: 23 24.877 1.801 0.894 0.808 0.909 0.591 CB 1.307 23 residues pruned to eliminate duplicates Z: 18 29.527 2.072 0.702 0.936 0.941 0.706 CB 1.502 18 residues pruned to eliminate duplicates Z: 9 25.105 2.109 0.944 0.911 1.000 1.000 CA 1.534 9 residues pruned to eliminate duplicates Z: 14 21.422 1.874 0.667 0.865 0.923 0.769 N 1.509 Z: 12 30.461 2.344 0.698 0.902 0.909 0.909 CA 1.810 12 residues pruned to eliminate duplicates Z: 15 10.647 1.931 0.340 0.678 0.643 0.357 CB 1.453 18 residues pruned to eliminate duplicates Z: 15 20.365 1.948 0.381 0.879 1.000 0.643 CA 1.466 Z: 7 5.109 2.068 0.537 0.682 0.833 0.667 CB 0.666 6 residues pruned to eliminate duplicates Z: 24 25.245 1.990 0.362 0.845 0.913 0.783 CB 1.582 24 residues pruned to eliminate duplicates Z: 25 29.837 1.903 0.497 0.865 1.000 0.583 CB 1.566 Z: 24 28.654 2.007 0.634 0.913 0.870 0.696 CB 1.482 24 residues pruned to eliminate duplicates Z: 17 19.393 2.039 0.146 0.850 1.000 0.812 CA 1.536 17 residues pruned to eliminate duplicates Z: 16 21.290 1.989 0.638 0.847 1.000 0.733 CB 1.253 16 residues pruned to eliminate duplicates Z: 27 29.408 1.938 0.677 0.886 0.923 0.731 CA 1.387 27 residues pruned to eliminate duplicates Z: 29 50.898 2.311 0.862 0.936 0.964 0.750 CB 1.615 29 residues pruned to eliminate duplicates Z: 18 19.841 1.882 0.475 0.876 0.941 0.824 CB 1.339 Z: 41 40.119 2.065 0.678 0.855 0.925 0.775 CB 1.461 41 residues pruned to eliminate duplicates Z: 11 22.133 2.122 0.492 0.853 1.000 0.900 CB 1.632 11 residues pruned to eliminate duplicates Z: 13 22.578 1.917 0.502 0.917 1.000 0.917 N 1.597 13 residues pruned to eliminate duplicates Z: 15 16.244 1.788 0.555 0.886 1.000 0.500 CB 1.127 15 residues pruned to eliminate duplicates Z: 16 20.140 1.951 0.611 0.842 1.000 0.800 CB 1.233 16 residues pruned to eliminate duplicates Z: 11 12.484 1.749 0.597 0.891 0.900 0.700 CB 1.129 11 residues pruned to eliminate duplicates Z: 29 53.558 2.198 0.919 0.926 1.000 0.893 CA 1.682 29 residues pruned to eliminate duplicates Z: 40 28.505 2.134 0.745 0.449 0.846 0.487 CB 1.526 38 residues pruned to eliminate duplicates Z: 24 20.242 2.090 0.619 0.495 0.913 0.391 CB 1.373 9 residues pruned to eliminate duplicates Z: 14 31.465 2.277 0.459 0.931 1.000 0.846 CB 1.836 15 residues pruned to eliminate duplicates Z: 11 16.085 1.798 0.646 0.826 1.000 0.900 CA 1.296 Z: 30 39.137 2.297 0.336 0.936 1.000 0.862 CA 1.650 30 residues pruned to eliminate duplicates Z: 30 29.367 1.925 0.473 0.881 0.931 0.759 CA 1.496 30 residues pruned to eliminate duplicates Z: 7 19.339 2.060 0.818 0.873 1.000 0.667 CA 1.535 7 residues pruned to eliminate duplicates Z: 7 2.913 2.047 -0.360 0.625 0.833 0.833 CB 0.968 Z: 91 45.309 2.164 0.592 0.519 0.900 0.544 CB 1.512 84 residues pruned to eliminate duplicates Z: 13 21.813 1.830 0.880 0.857 1.000 0.667 CA 1.348 13 residues pruned to eliminate duplicates Z: 14 24.363 1.915 0.605 0.929 1.000 0.846 CA 1.538 14 residues pruned to eliminate duplicates Z: 15 6.344 1.643 0.066 0.523 0.929 0.714 CB 1.019 7 residues pruned to eliminate duplicates Z: 17 22.876 1.931 0.453 0.886 1.000 0.812 CA 1.470 17 residues pruned to eliminate duplicates Z: 11 25.906 1.988 0.778 0.895 1.000 0.800 CB 1.661 11 residues pruned to eliminate duplicates Z: 15 27.752 2.212 0.336 0.939 1.000 1.000 CB 1.744 15 residues pruned to eliminate duplicates Z: 19 22.677 1.970 0.718 0.784 0.889 0.778 CA 1.384 19 residues pruned to eliminate duplicates Z: 12 21.091 2.199 0.383 0.921 0.909 0.909 CB 1.619 12 residues pruned to eliminate duplicates Z: 16 24.975 2.089 0.585 0.830 0.933 0.667 CA 1.568 16 residues pruned to eliminate duplicates Z: 30 32.944 1.968 0.656 0.897 0.897 0.448 CB 1.498 30 residues pruned to eliminate duplicates Z: 23 27.703 2.005 0.365 0.920 1.000 1.000 CB 1.520 23 residues pruned to eliminate duplicates Z: 24 30.480 1.961 0.595 0.893 0.957 0.870 CB 1.525 24 residues pruned to eliminate duplicates Z: 14 26.695 2.048 0.740 0.851 0.923 0.462 N 1.666 14 residues pruned to eliminate duplicates Z: 16 20.243 1.952 0.377 0.874 0.933 0.733 CA 1.516 16 residues pruned to eliminate duplicates Z: 12 20.443 1.917 0.361 0.924 1.000 1.000 CB 1.659 12 residues pruned to eliminate duplicates Z: 21 36.753 2.090 0.946 0.907 0.950 0.700 CB 1.512 21 residues pruned to eliminate duplicates Z: 11 16.495 2.164 0.119 0.833 1.000 0.700 CB 1.617 11 residues pruned to eliminate duplicates Z: 15 21.983 1.835 0.898 0.773 1.000 0.643 CA 1.325 15 residues pruned to eliminate duplicates Z: 16 23.045 1.949 0.521 0.877 1.000 0.733 CB 1.457 16 residues pruned to eliminate duplicates Z: 15 14.995 1.810 0.484 0.738 0.857 0.643 CB 1.405 15 residues pruned to eliminate duplicates Z: 17 25.513 2.055 0.524 0.840 1.000 0.625 CA 1.521 17 residues pruned to eliminate duplicates Z: 13 12.867 1.967 0.216 0.858 0.833 0.667 CB 1.372 13 residues pruned to eliminate duplicates Z: 10 9.706 1.939 0.230 0.657 0.778 0.667 CB 1.508 10 residues pruned to eliminate duplicates Z: 29 50.023 2.167 0.893 0.938 1.000 0.893 CA 1.602 29 residues pruned to eliminate duplicates Z: 76 44.648 2.234 0.581 0.509 0.933 0.520 CB 1.550 76 residues pruned to eliminate duplicates Z: 23 27.228 1.971 0.410 0.888 0.955 0.864 CA 1.576 23 residues pruned to eliminate duplicates Z: 14 18.445 1.892 0.418 0.912 1.000 0.692 CB 1.351 15 residues pruned to eliminate duplicates Z: 10 12.771 1.770 0.505 0.793 0.778 0.444 O 1.588 10 residues pruned to eliminate duplicates Z: 7 8.398 1.983 0.292 0.518 1.000 0.833 CB 1.314 9 residues pruned to eliminate duplicates Z: 17 13.113 1.945 0.406 0.504 0.938 0.812 CB 1.274 17 residues pruned to eliminate duplicates Z: 18 24.053 2.030 0.457 0.794 0.941 0.765 CA 1.619 18 residues pruned to eliminate duplicates Z: 6 5.906 1.776 -0.095 0.664 1.000 0.800 CB 1.412 Z: 16 25.442 2.019 0.501 0.914 1.000 0.733 CB 1.533 17 residues pruned to eliminate duplicates Z: 21 25.585 1.945 0.775 0.879 0.900 0.600 CB 1.335 21 residues pruned to eliminate duplicates Z: 24 29.232 1.945 0.693 0.865 0.957 0.522 CB 1.418 24 residues pruned to eliminate duplicates Z: 15 28.460 2.128 0.641 0.916 0.929 0.929 CB 1.656 15 residues pruned to eliminate duplicates Z: 8 20.500 2.236 0.706 0.838 0.857 0.714 CB 1.771 8 residues pruned to eliminate duplicates Z: 6 4.819 1.991 -0.325 0.651 1.000 0.600 CB 1.392 Z: 9 14.013 1.967 0.349 0.908 1.000 0.750 CA 1.326 9 residues pruned to eliminate duplicates Z: 14 21.501 1.836 0.770 0.938 1.000 0.615 CB 1.276 14 residues pruned to eliminate duplicates Z: 10 5.864 1.659 0.394 0.510 0.889 0.556 CB 0.941 Z: 11 10.710 1.959 0.218 0.721 1.000 0.700 CB 1.163 11 residues pruned to eliminate duplicates Z: 9 20.243 1.944 1.203 0.892 0.875 0.750 CB 1.372 9 residues pruned to eliminate duplicates Z: 18 17.902 1.896 0.446 0.743 0.941 0.706 CB 1.354 18 residues pruned to eliminate duplicates Z: 15 16.445 1.811 0.207 0.868 1.000 0.714 O 1.469 15 residues pruned to eliminate duplicates Z: 15 17.939 1.861 0.601 0.844 0.929 0.500 CB 1.290 15 residues pruned to eliminate duplicates Z: 9 16.150 1.963 0.439 0.856 1.000 0.750 CA 1.490 9 residues pruned to eliminate duplicates Z: 13 36.255 2.226 1.140 0.894 1.000 0.667 CB 1.576 13 residues pruned to eliminate duplicates Z: 31 44.815 2.219 0.632 0.925 1.000 0.767 CB 1.585 31 residues pruned to eliminate duplicates Z: 8 9.868 1.845 0.546 0.819 0.857 0.714 CB 1.157 8 residues pruned to eliminate duplicates Z: 8 12.696 2.006 0.792 0.848 1.000 0.857 CA 0.990 Z: 10 18.036 1.860 0.504 0.842 1.000 0.889 CA 1.602 10 residues pruned to eliminate duplicates Z: 70 51.508 2.253 0.952 0.524 0.899 0.594 CB 1.532 70 residues pruned to eliminate duplicates Z: 9 14.808 1.803 0.494 0.713 1.000 0.500 N 1.601 8 residues pruned to eliminate duplicates Z: 61 26.647 1.975 0.469 0.525 0.900 0.700 CB 1.285 76 residues pruned to eliminate duplicates Z: 8 5.773 1.800 0.476 0.513 0.714 0.714 CB 1.134 7 residues pruned to eliminate duplicates Z: 9 16.069 2.014 0.500 0.861 0.875 0.750 CB 1.579 10 residues pruned to eliminate duplicates Z: 14 35.753 2.193 1.227 0.887 1.000 0.846 CB 1.463 14 residues pruned to eliminate duplicates Z: 14 26.651 1.917 0.723 0.909 1.000 0.615 N 1.588 13 residues pruned to eliminate duplicates Z: 13 39.596 2.241 1.200 0.917 0.917 0.583 CA 1.784 13 residues pruned to eliminate duplicates Z: 10 21.095 2.018 0.700 0.878 1.000 0.778 CA 1.487 10 residues pruned to eliminate duplicates Z: 31 39.784 2.223 0.470 0.913 1.000 0.800 CB 1.573 31 residues pruned to eliminate duplicates Z: 14 23.677 2.095 0.519 0.931 0.923 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 18 16.929 1.699 0.529 0.856 0.941 0.706 CA 1.238 18 residues pruned to eliminate duplicates Z: 28 32.256 1.957 0.604 0.913 0.963 0.815 CB 1.453 28 residues pruned to eliminate duplicates Z: 48 32.917 2.281 0.740 0.520 0.830 0.638 CB 1.430 49 residues pruned to eliminate duplicates Z: 9 20.718 2.154 0.803 0.869 0.875 0.750 CB 1.574 9 residues pruned to eliminate duplicates Z: 49 25.333 1.982 0.511 0.495 0.917 0.583 CB 1.338 49 residues pruned to eliminate duplicates Z: 12 19.358 1.968 0.572 0.744 0.909 0.545 CA 1.669 12 residues pruned to eliminate duplicates Z: 10 20.108 2.063 0.591 0.870 1.000 0.778 CB 1.490 11 residues pruned to eliminate duplicates Z: 15 21.388 1.882 0.709 0.925 1.000 0.929 CB 1.247 15 residues pruned to eliminate duplicates Z: 24 36.225 2.047 0.615 0.920 1.000 0.739 CB 1.609 24 residues pruned to eliminate duplicates Z: 17 25.443 1.972 0.475 0.947 1.000 0.938 CB 1.511 17 residues pruned to eliminate duplicates Z: 16 16.488 1.848 0.605 0.856 0.933 0.733 CB 1.134 17 residues pruned to eliminate duplicates Z: 30 42.718 2.257 0.782 0.894 0.931 0.414 CB 1.520 30 residues pruned to eliminate duplicates Z: 9 17.633 2.009 0.820 0.853 0.875 0.625 CB 1.441 9 residues pruned to eliminate duplicates Z: 30 24.699 2.168 0.770 0.517 0.828 0.517 CB 1.420 19 residues pruned to eliminate duplicates Z: 10 22.692 2.341 0.394 0.857 1.000 0.889 CB 1.709 10 residues pruned to eliminate duplicates Z: 30 37.283 2.022 0.445 0.922 1.000 0.793 CA 1.665 30 residues pruned to eliminate duplicates Z: 15 26.932 2.072 0.594 0.939 1.000 0.929 CB 1.514 15 residues pruned to eliminate duplicates Z: 20 34.016 2.068 0.822 0.939 0.947 0.684 CB 1.519 20 residues pruned to eliminate duplicates Z: 14 32.545 2.111 0.916 0.867 1.000 0.692 CA 1.633 14 residues pruned to eliminate duplicates Z: 14 23.662 1.905 0.578 0.911 1.000 0.692 N 1.547 14 residues pruned to eliminate duplicates Z: 16 21.279 1.975 0.520 0.881 0.867 0.600 CB 1.530 16 residues pruned to eliminate duplicates Z: 12 32.714 2.184 1.039 0.937 1.000 1.000 CB 1.541 12 residues pruned to eliminate duplicates Z: 22 36.438 2.057 0.836 0.909 1.000 0.714 CB 1.494 25 residues pruned to eliminate duplicates Z: 36 21.133 1.974 0.450 0.517 0.886 0.600 CB 1.384 22 residues pruned to eliminate duplicates Z: 16 19.697 1.882 0.507 0.793 1.000 0.600 CB 1.387 16 residues pruned to eliminate duplicates Z: 24 32.932 1.957 0.715 0.882 1.000 0.565 CB 1.481 25 residues pruned to eliminate duplicates Z: 15 23.478 2.166 0.427 0.903 0.929 0.714 CA 1.557 15 residues pruned to eliminate duplicates Z: 17 25.292 1.859 0.654 0.867 1.000 0.562 CB 1.504 17 residues pruned to eliminate duplicates Z: 21 14.774 1.712 0.609 0.882 0.950 0.600 CB 0.913 21 residues pruned to eliminate duplicates Z: 17 20.819 1.930 0.330 0.916 0.938 0.812 CA 1.528 17 residues pruned to eliminate duplicates Z: 30 37.909 2.020 0.840 0.916 0.828 0.483 CB 1.617 30 residues pruned to eliminate duplicates Z: 96 49.281 2.156 0.635 0.516 0.884 0.600 CB 1.597 104 residues pruned to eliminate duplicates Z: 62 34.627 1.999 0.534 0.607 0.984 0.672 CB 1.328 62 residues pruned to eliminate duplicates Z: 9 14.029 2.075 0.429 0.823 0.875 0.750 CB 1.444 Z: 15 26.437 2.194 0.349 0.922 1.000 0.857 CB 1.679 15 residues pruned to eliminate duplicates Z: 25 18.219 2.096 0.348 0.464 0.958 0.750 CB 1.425 26 residues pruned to eliminate duplicates Z: 43 23.707 2.068 0.791 0.465 0.810 0.524 CB 1.264 44 residues pruned to eliminate duplicates Z: 16 26.786 2.015 0.628 0.892 0.933 0.733 CB 1.623 15 residues pruned to eliminate duplicates Z: 15 26.395 2.197 0.437 0.884 0.929 0.643 CB 1.739 15 residues pruned to eliminate duplicates Z: 10 11.550 1.931 0.362 0.796 0.889 0.556 CB 1.271 10 residues pruned to eliminate duplicates Z: 46 30.956 1.956 0.619 0.657 0.978 0.644 CB 1.288 47 residues pruned to eliminate duplicates Z: 27 28.740 1.894 0.436 0.902 1.000 0.808 CA 1.479 26 residues pruned to eliminate duplicates Z: 9 18.261 1.917 0.459 0.868 1.000 0.875 CA 1.688 8 residues pruned to eliminate duplicates Z: 9 15.244 2.038 0.457 0.852 0.875 0.750 CA 1.534 9 residues pruned to eliminate duplicates Z: 25 23.391 1.967 0.498 0.697 0.875 0.667 CA 1.547 17 residues pruned to eliminate duplicates Z: 28 37.603 1.990 0.776 0.911 1.000 0.889 CA 1.451 28 residues pruned to eliminate duplicates Z: 30 41.016 2.002 0.680 0.925 1.000 0.552 CB 1.589 31 residues pruned to eliminate duplicates Z: 9 14.652 1.565 0.946 0.847 1.000 1.000 N 1.263 8 residues pruned to eliminate duplicates Z: 8 13.370 1.868 0.290 0.868 1.000 0.714 CB 1.532 8 residues pruned to eliminate duplicates Z: 27 41.252 2.160 0.910 0.909 0.962 0.808 CB 1.448 27 residues pruned to eliminate duplicates Z: 12 22.959 1.971 0.647 0.917 1.000 1.000 CB 1.504 12 residues pruned to eliminate duplicates Z: 16 16.290 1.874 0.614 0.896 0.933 0.800 CB 1.067 16 residues pruned to eliminate duplicates Z: 15 26.302 1.971 0.704 0.939 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 13 22.583 2.086 0.594 0.869 0.917 0.583 CB 1.563 13 residues pruned to eliminate duplicates Z: 8 3.453 1.591 0.178 0.338 0.714 0.429 O 1.163 8 residues pruned to eliminate duplicates Z: 8 9.913 2.081 0.564 0.421 0.857 0.714 CB 1.458 8 residues pruned to eliminate duplicates Z: 16 8.330 1.618 0.234 0.428 0.933 0.467 CB 1.244 14 residues pruned to eliminate duplicates Z: 7 8.215 1.856 0.807 0.863 1.000 0.833 CB 0.733 6 residues pruned to eliminate duplicates Z: 13 43.684 2.366 1.292 0.908 1.000 0.750 CA 1.652 13 residues pruned to eliminate duplicates Z: 8 12.772 1.834 0.571 0.822 0.857 0.714 CB 1.478 12 residues pruned to eliminate duplicates Z: 22 16.790 2.187 0.292 0.462 0.952 0.667 CB 1.415 22 residues pruned to eliminate duplicates Z: 12 5.599 1.763 0.272 0.408 0.818 0.727 CB 1.013 14 residues pruned to eliminate duplicates Z: 9 9.741 2.006 0.209 0.789 0.625 0.500 CB 1.763 9 residues pruned to eliminate duplicates Z: 12 19.153 1.985 0.617 0.901 1.000 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 18 19.349 1.863 0.451 0.857 0.941 0.588 CB 1.359 17 residues pruned to eliminate duplicates Z: 6 9.346 1.874 0.364 0.746 1.000 0.400 CA 1.313 6 residues pruned to eliminate duplicates Z: 9 14.380 1.931 0.360 0.862 1.000 0.375 CB 1.422 9 residues pruned to eliminate duplicates Z: 6 3.987 1.774 -0.135 0.799 1.000 0.600 CB 0.895 6 residues pruned to eliminate duplicates Z: 15 26.377 2.092 0.516 0.901 1.000 0.857 CB 1.586 15 residues pruned to eliminate duplicates Z: 14 18.118 1.955 0.174 0.904 1.000 0.769 CB 1.559 14 residues pruned to eliminate duplicates Z: 14 24.825 2.029 0.704 0.889 1.000 0.846 CA 1.433 14 residues pruned to eliminate duplicates Z: 6 5.289 2.026 0.149 0.328 1.000 0.600 CB 1.227 6 residues pruned to eliminate duplicates Z: 11 27.402 2.465 0.299 0.932 1.000 1.000 CA 1.891 11 residues pruned to eliminate duplicates Z: 18 25.269 2.049 0.644 0.781 0.941 0.647 CA 1.509 18 residues pruned to eliminate duplicates Z: 10 13.670 1.754 0.556 0.823 1.000 0.778 CB 1.262 Z: 15 14.835 1.684 0.448 0.868 0.929 0.714 CB 1.279 Z: 15 13.530 1.694 0.178 0.807 1.000 0.857 O 1.386 15 residues pruned to eliminate duplicates Z: 43 26.151 2.106 0.592 0.374 0.929 0.452 CB 1.483 43 residues pruned to eliminate duplicates Z: 30 16.306 1.990 0.428 0.437 0.793 0.517 CB 1.434 29 residues pruned to eliminate duplicates Z: 15 21.338 1.973 0.502 0.883 1.000 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 10 12.731 1.821 0.467 0.809 1.000 0.778 CA 1.213 10 residues pruned to eliminate duplicates Z: 13 22.637 1.847 1.009 0.902 0.917 0.417 CB 1.371 12 residues pruned to eliminate duplicates Z: 30 31.850 1.989 0.576 0.919 0.897 0.655 CB 1.484 30 residues pruned to eliminate duplicates Z: 16 21.092 1.905 0.341 0.845 1.000 0.733 CA 1.585 16 residues pruned to eliminate duplicates Z: 6 12.993 1.818 0.866 0.819 1.000 1.000 CB 1.298 6 residues pruned to eliminate duplicates Z: 10 10.368 1.978 0.281 0.729 0.778 0.556 CB 1.427 10 residues pruned to eliminate duplicates Z: 49 29.288 2.040 0.596 0.534 0.938 0.521 CB 1.339 50 residues pruned to eliminate duplicates Z: 15 35.629 2.219 0.786 0.910 1.000 0.857 CB 1.704 15 residues pruned to eliminate duplicates Z: 12 16.335 1.934 0.616 0.896 0.909 0.818 CB 1.242 12 residues pruned to eliminate duplicates Z: 24 25.300 1.906 0.636 0.858 0.870 0.522 CB 1.433 24 residues pruned to eliminate duplicates Z: 9 7.963 1.981 0.011 0.556 1.000 0.875 CB 1.331 7 residues pruned to eliminate duplicates Z: 13 23.902 1.998 0.701 0.858 1.000 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 30 36.100 1.991 0.468 0.890 1.000 0.759 CA 1.651 30 residues pruned to eliminate duplicates Z: 14 26.713 1.932 0.720 0.917 1.000 0.538 CB 1.574 14 residues pruned to eliminate duplicates Z: 68 32.546 2.004 0.475 0.590 0.925 0.701 CB 1.334 68 residues pruned to eliminate duplicates Z: 9 19.582 2.085 0.773 0.829 1.000 0.750 CA 1.409 9 residues pruned to eliminate duplicates Z: 39 32.832 2.030 0.746 0.840 0.789 0.421 CB 1.420 43 residues pruned to eliminate duplicates Z: 6 5.892 1.703 0.181 0.693 0.800 0.600 O 1.374 Z: 6 10.501 2.061 0.025 0.834 1.000 1.000 CA 1.666 6 residues pruned to eliminate duplicates Z: 6 4.031 1.446 0.705 0.474 0.800 0.400 CB 0.938 Z: 9 9.443 1.849 0.579 0.433 0.875 0.625 CB 1.401 9 residues pruned to eliminate duplicates Z: 16 12.958 2.084 0.741 0.299 0.800 0.333 CA 1.443 16 residues pruned to eliminate duplicates Z: 20 27.769 2.045 0.579 0.904 0.947 0.789 CA 1.483 20 residues pruned to eliminate duplicates Z: 12 24.469 2.009 0.865 0.913 1.000 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 31 50.685 2.094 1.058 0.952 0.967 0.533 CB 1.530 31 residues pruned to eliminate duplicates Z: 17 23.193 1.919 0.462 0.927 0.938 0.750 CB 1.545 17 residues pruned to eliminate duplicates Z: 9 3.072 1.869 0.308 0.273 0.500 0.250 CB 1.150 9 residues pruned to eliminate duplicates Z: 47 22.284 2.129 0.494 0.488 0.826 0.543 CB 1.267 45 residues pruned to eliminate duplicates Z: 12 32.002 2.192 0.987 0.908 1.000 0.909 CB 1.573 12 residues pruned to eliminate duplicates Z: 12 17.110 1.824 0.629 0.904 1.000 0.545 CB 1.237 6 1.539 1.710 0.119 0.404 0.800 0.600 CB 0.497 ? Z: 8 12.464 2.098 0.557 0.596 1.000 0.714 CB 1.316 8 residues pruned to eliminate duplicates Z: 13 23.725 2.150 0.370 0.899 1.000 1.000 CB 1.662 13 residues pruned to eliminate duplicates Z: 35 25.597 2.185 0.670 0.532 0.824 0.588 CB 1.415 35 residues pruned to eliminate duplicates Z: 14 13.023 2.071 0.749 0.367 0.769 0.385 CB 1.495 14 residues pruned to eliminate duplicates Z: 23 29.182 1.916 0.800 0.919 0.909 0.500 CB 1.398 23 residues pruned to eliminate duplicates 6 1.118 1.284 0.081 0.282 0.800 0.400 CB 0.576 ? Z: 14 17.099 1.986 0.368 0.900 0.923 0.769 CA 1.350 14 residues pruned to eliminate duplicates Z: 25 18.315 1.915 0.462 0.618 0.833 0.792 CB 1.433 25 residues pruned to eliminate duplicates Z: 23 26.532 1.955 0.524 0.878 0.955 0.727 CB 1.444 23 residues pruned to eliminate duplicates Z: 30 41.281 2.014 0.649 0.927 1.000 0.655 CB 1.618 30 residues pruned to eliminate duplicates Z: 12 27.316 2.177 0.704 0.938 1.000 0.818 CA 1.544 12 residues pruned to eliminate duplicates Z: 12 14.168 1.738 0.436 0.914 1.000 0.818 CB 1.210 Z: 13 9.895 1.999 0.244 0.368 0.833 0.417 CA 1.588 Z: 8 10.983 1.831 0.178 0.852 1.000 1.000 CB 1.423 8 residues pruned to eliminate duplicates Z: 14 22.300 2.009 0.517 0.840 0.923 0.769 CB 1.641 14 residues pruned to eliminate duplicates Z: 10 13.069 1.999 0.300 0.839 1.000 0.778 CA 1.252 10 residues pruned to eliminate duplicates Z: 6 13.641 2.129 0.466 0.767 1.000 0.800 CB 1.543 13 residues pruned to eliminate duplicates Z: 12 20.781 1.917 0.743 0.898 0.909 0.818 CB 1.476 12 residues pruned to eliminate duplicates Z: 8 12.545 2.056 0.091 0.884 1.000 1.000 CA 1.528 8 residues pruned to eliminate duplicates Z: 18 16.043 2.138 0.556 0.451 0.824 0.588 CB 1.494 18 residues pruned to eliminate duplicates Z: 23 29.597 1.935 0.627 0.886 0.955 0.727 CB 1.516 23 residues pruned to eliminate duplicates Z: 8 4.152 1.622 0.174 0.869 1.000 0.714 CB 0.602 6 residues pruned to eliminate duplicates Z: 39 31.731 1.999 0.856 0.733 0.921 0.474 CB 1.222 39 residues pruned to eliminate duplicates Z: 14 21.292 1.844 0.723 0.879 0.923 0.615 N 1.461 14 residues pruned to eliminate duplicates Z: 11 15.333 2.131 0.389 0.737 0.900 0.800 CB 1.472 20 residues pruned to eliminate duplicates Z: 15 16.256 1.913 0.145 0.909 1.000 1.000 CB 1.408 15 residues pruned to eliminate duplicates Z: 10 10.454 1.914 0.395 0.760 0.667 0.667 CA 1.554 10 residues pruned to eliminate duplicates Z: 13 19.799 1.921 0.320 0.895 1.000 0.833 CB 1.617 13 residues pruned to eliminate duplicates Z: 11 10.253 1.851 0.428 0.842 1.000 0.800 CB 0.914 11 residues pruned to eliminate duplicates Z: 15 29.498 2.186 1.147 0.893 0.786 0.571 CB 1.534 15 residues pruned to eliminate duplicates Z: 9 14.667 1.861 0.283 0.910 1.000 1.000 CB 1.540 9 residues pruned to eliminate duplicates Z: 11 6.503 1.570 0.411 0.423 0.900 0.600 CA 1.117 Z: 13 14.726 1.724 0.410 0.903 1.000 0.583 CB 1.246 13 residues pruned to eliminate duplicates Z: 12 17.766 2.015 0.599 0.766 0.818 0.545 CB 1.604 12 residues pruned to eliminate duplicates Z: 17 28.338 2.048 0.637 0.846 1.000 0.875 CA 1.570 17 residues pruned to eliminate duplicates Z: 14 14.863 1.821 0.326 0.891 1.000 0.846 CA 1.228 14 residues pruned to eliminate duplicates Z: 8 11.219 2.051 0.299 0.905 1.000 0.857 CA 1.133 8 residues pruned to eliminate duplicates Z: 23 26.077 1.927 0.568 0.904 0.909 0.636 CB 1.442 23 residues pruned to eliminate duplicates Z: 16 25.245 1.975 0.722 0.850 1.000 0.867 CA 1.420 16 residues pruned to eliminate duplicates Z: 16 17.295 1.892 0.246 0.904 1.000 0.933 CB 1.349 16 residues pruned to eliminate duplicates Z: 22 17.456 1.727 0.383 0.911 1.000 0.952 CB 1.130 22 residues pruned to eliminate duplicates Z: 10 17.564 1.888 0.698 0.830 1.000 0.556 CB 1.373 14 residues pruned to eliminate duplicates Z: 12 11.835 1.668 0.455 0.819 0.909 0.545 CB 1.227 12 residues pruned to eliminate duplicates Z: 6 13.171 2.159 0.273 0.748 1.000 1.000 CB 1.716 6 residues pruned to eliminate duplicates Z: 24 13.555 2.011 0.599 0.488 0.783 0.478 CB 1.137 24 residues pruned to eliminate duplicates Z: 24 19.966 1.845 0.258 0.801 0.913 0.696 O 1.509 24 residues pruned to eliminate duplicates Z: 17 21.524 1.951 0.380 0.913 0.938 0.750 CA 1.508 17 residues pruned to eliminate duplicates Z: 15 17.122 1.947 0.504 0.843 0.857 0.857 CB 1.358 15 residues pruned to eliminate duplicates Z: 17 37.300 2.030 1.150 0.921 0.938 0.438 CA 1.604 17 residues pruned to eliminate duplicates Z: 17 26.478 1.953 0.648 0.888 0.938 0.750 CA 1.581 17 residues pruned to eliminate duplicates Z: 7 11.706 1.911 0.534 0.761 1.000 0.667 CB 1.292 7 residues pruned to eliminate duplicates Z: 14 21.465 1.888 0.736 0.850 0.923 0.692 CB 1.458 14 residues pruned to eliminate duplicates Z: 24 23.976 1.908 0.441 0.833 0.913 0.609 CB 1.493 24 residues pruned to eliminate duplicates Z: 9 9.468 1.893 0.443 0.658 0.750 0.625 N 1.411 9 residues pruned to eliminate duplicates Z: 23 28.882 1.998 0.578 0.892 0.955 0.727 CB 1.470 23 residues pruned to eliminate duplicates Z: 12 15.503 1.926 0.213 0.806 1.000 0.818 CA 1.533 12 residues pruned to eliminate duplicates Z: 18 23.726 2.047 0.469 0.808 0.941 0.824 CA 1.555 18 residues pruned to eliminate duplicates Z: 11 10.362 1.759 0.169 0.829 1.000 0.600 CA 1.199 11 residues pruned to eliminate duplicates Z: 16 18.397 1.871 0.641 0.892 0.933 0.733 CB 1.191 16 residues pruned to eliminate duplicates Z: 7 4.915 1.559 0.346 0.681 0.833 0.833 CA 0.972 7 residues pruned to eliminate duplicates Z: 7 3.409 1.386 0.116 0.545 0.833 0.500 N 1.033 Z: 14 16.570 1.852 0.294 0.878 1.000 0.923 CB 1.391 14 residues pruned to eliminate duplicates Z: 23 26.125 1.973 0.469 0.903 0.909 0.727 CB 1.507 23 residues pruned to eliminate duplicates Z: 13 22.712 2.091 0.645 0.846 1.000 0.833 CA 1.416 13 residues pruned to eliminate duplicates Z: 15 23.475 2.055 0.637 0.842 1.000 0.857 CB 1.390 16 residues pruned to eliminate duplicates Z: 27 37.062 2.025 0.892 0.921 0.962 0.538 CB 1.388 29 residues pruned to eliminate duplicates Z: 10 17.994 2.141 0.511 0.813 1.000 0.667 CA 1.413 10 residues pruned to eliminate duplicates Z: 10 3.235 1.616 0.540 0.201 0.556 0.444 CB 1.113 Z: 20 10.780 1.904 0.415 0.420 0.789 0.579 CB 1.264 20 residues pruned to eliminate duplicates Z: 13 13.840 1.951 0.225 0.852 0.917 0.583 CB 1.349 13 residues pruned to eliminate duplicates Z: 6 9.305 2.058 0.265 0.820 0.800 0.800 CA 1.514 6 residues pruned to eliminate duplicates Z: 12 21.725 2.069 0.500 0.880 1.000 0.818 CB 1.530 12 residues pruned to eliminate duplicates Z: 44 26.651 2.153 0.596 0.499 0.884 0.535 CB 1.339 70 residues pruned to eliminate duplicates Z: 9 9.282 1.981 0.158 0.800 0.750 0.625 CB 1.467 9 residues pruned to eliminate duplicates Z: 13 33.991 2.303 1.049 0.894 1.000 0.750 CA 1.491 13 residues pruned to eliminate duplicates Z: 22 14.528 2.050 0.501 0.363 0.857 0.571 CB 1.393 22 residues pruned to eliminate duplicates Z: 14 13.008 1.791 0.385 0.845 0.769 0.615 CB 1.406 Z: 22 28.489 2.021 0.386 0.928 1.000 0.952 CB 1.554 22 residues pruned to eliminate duplicates Z: 25 43.493 2.106 1.003 0.902 1.000 0.875 CB 1.501 25 residues pruned to eliminate duplicates Z: 16 20.215 1.900 0.596 0.867 0.933 0.867 CA 1.349 16 residues pruned to eliminate duplicates Z: 15 17.324 1.837 0.347 0.908 1.000 1.000 CB 1.328 15 residues pruned to eliminate duplicates Z: 14 8.382 1.940 0.353 0.532 0.615 0.538 CA 1.395 14 residues pruned to eliminate duplicates Z: 22 20.183 2.083 0.581 0.633 0.857 0.619 CB 1.377 22 residues pruned to eliminate duplicates Z: 17 27.975 1.955 0.619 0.903 1.000 0.750 CA 1.576 18 residues pruned to eliminate duplicates Z: 11 10.255 1.818 0.243 0.845 0.900 0.500 CB 1.185 11 residues pruned to eliminate duplicates Z: 12 20.959 2.113 0.639 0.929 0.909 0.455 CB 1.405 14 residues pruned to eliminate duplicates Z: 31 39.387 2.140 0.622 0.932 1.000 0.900 CA 1.446 31 residues pruned to eliminate duplicates Z: 30 34.635 1.970 0.464 0.917 0.966 0.793 CB 1.631 30 residues pruned to eliminate duplicates Z: 26 20.604 2.048 0.478 0.561 0.880 0.480 CB 1.458 12 residues pruned to eliminate duplicates Z: 28 51.620 2.289 1.070 0.919 0.926 0.519 CB 1.596 28 residues pruned to eliminate duplicates Z: 20 30.292 2.047 0.771 0.884 0.895 0.842 CB 1.547 22 residues pruned to eliminate duplicates Z: 12 10.534 1.834 0.368 0.773 0.909 0.636 CB 1.094 12 residues pruned to eliminate duplicates Z: 15 23.435 1.849 0.890 0.892 0.929 0.714 CB 1.387 15 residues pruned to eliminate duplicates Z: 18 21.061 1.758 0.552 0.880 1.000 0.824 CB 1.356 18 residues pruned to eliminate duplicates Z: 28 37.027 1.946 0.930 0.884 0.926 0.741 CB 1.480 28 residues pruned to eliminate duplicates Z: 8 7.084 1.639 0.268 0.468 1.000 0.571 CB 1.330 Z: 35 37.340 2.341 0.471 0.770 0.941 0.794 CB 1.555 36 residues pruned to eliminate duplicates Z: 24 29.180 1.924 0.866 0.864 0.913 0.565 CB 1.361 24 residues pruned to eliminate duplicates Z: 32 44.223 2.040 1.074 0.917 0.968 0.419 CB 1.369 32 residues pruned to eliminate duplicates Z: 11 22.184 2.122 0.505 0.907 1.000 0.800 CB 1.561 11 residues pruned to eliminate duplicates Z: 9 12.057 1.743 0.464 0.847 0.875 0.625 CB 1.417 Z: 9 18.613 2.065 0.377 0.887 1.000 0.625 CB 1.669 9 residues pruned to eliminate duplicates Z: 12 18.315 2.030 0.495 0.807 0.909 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 25 37.522 2.027 0.831 0.911 1.000 0.875 CB 1.462 25 residues pruned to eliminate duplicates Z: 32 24.964 2.155 0.898 0.520 0.774 0.548 CB 1.389 32 residues pruned to eliminate duplicates Z: 16 25.361 1.930 0.868 0.818 0.933 0.600 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 18.760 1.879 0.311 0.870 1.000 0.786 CA 1.486 15 residues pruned to eliminate duplicates Z: 15 14.446 1.647 0.250 0.900 1.000 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 15 14.659 1.679 0.218 0.871 1.000 0.857 CA 1.397 15 residues pruned to eliminate duplicates Z: 12 15.089 1.928 0.309 0.879 1.000 0.909 CB 1.307 12 residues pruned to eliminate duplicates Z: 26 36.241 2.023 0.851 0.890 0.960 0.640 CA 1.450 26 residues pruned to eliminate duplicates Z: 12 12.825 1.896 0.242 0.869 1.000 1.000 CB 1.199 12 residues pruned to eliminate duplicates Z: 29 26.715 2.051 0.600 0.602 0.964 0.607 CB 1.449 24 residues pruned to eliminate duplicates Z: 6 10.371 1.977 0.400 0.824 1.000 0.800 CA 1.265 Z: 7 4.751 1.926 0.355 0.308 0.667 0.333 N 1.379 Z: 11 17.783 1.969 0.511 0.889 1.000 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 17 28.316 1.908 0.739 0.906 1.000 0.750 CA 1.517 17 residues pruned to eliminate duplicates Z: 13 15.835 1.954 0.449 0.892 0.833 0.667 CB 1.392 13 residues pruned to eliminate duplicates Z: 26 23.154 2.091 0.562 0.591 0.880 0.520 CB 1.476 26 residues pruned to eliminate duplicates Z: 12 16.059 2.046 0.578 0.813 0.818 0.727 CB 1.395 12 residues pruned to eliminate duplicates Z: 30 35.515 1.916 0.746 0.914 1.000 0.793 CB 1.395 30 residues pruned to eliminate duplicates Z: 11 19.721 1.955 0.741 0.909 1.000 0.600 CB 1.300 12 residues pruned to eliminate duplicates Z: 9 17.626 1.881 0.746 0.875 1.000 0.875 CB 1.381 9 residues pruned to eliminate duplicates Z: 15 22.137 1.918 0.622 0.852 0.929 0.714 CB 1.515 15 residues pruned to eliminate duplicates Z: 8 5.246 1.691 0.032 0.599 1.000 0.571 CB 1.034 Z: 17 31.228 2.064 0.821 0.879 0.938 0.750 CA 1.606 17 residues pruned to eliminate duplicates Z: 15 24.359 1.818 0.899 0.868 0.929 0.500 CA 1.485 15 residues pruned to eliminate duplicates Z: 37 19.195 1.978 0.326 0.559 0.806 0.472 CB 1.429 22 residues pruned to eliminate duplicates Z: 26 34.385 2.030 0.877 0.885 0.880 0.680 CA 1.481 26 residues pruned to eliminate duplicates Z: 28 25.485 2.084 0.617 0.583 0.926 0.593 CB 1.452 28 residues pruned to eliminate duplicates Z: 12 12.260 1.770 0.256 0.882 1.000 0.818 CB 1.204 12 residues pruned to eliminate duplicates Z: 12 9.840 2.098 0.321 0.448 0.909 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 19 18.445 2.076 0.599 0.438 0.944 0.556 CB 1.479 19 residues pruned to eliminate duplicates Z: 10 13.960 1.937 0.306 0.872 1.000 0.667 CA 1.341 9 residues pruned to eliminate duplicates Z: 23 27.986 2.056 0.337 0.919 0.955 0.818 CA 1.603 23 residues pruned to eliminate duplicates Z: 15 18.557 1.921 0.306 0.874 1.000 0.571 CA 1.438 15 residues pruned to eliminate duplicates Z: 12 10.917 1.776 0.608 0.595 1.000 0.727 CB 1.052 12 residues pruned to eliminate duplicates Z: 16 26.572 2.003 0.507 0.922 1.000 0.867 CA 1.598 17 residues pruned to eliminate duplicates Z: 13 33.768 2.229 1.049 0.931 1.000 0.917 CA 1.491 13 residues pruned to eliminate duplicates Z: 12 8.671 1.643 0.077 0.830 1.000 0.909 CB 1.111 12 residues pruned to eliminate duplicates Z: 10 17.585 1.919 0.323 0.884 1.000 1.000 O 1.668 10 residues pruned to eliminate duplicates Z: 10 8.891 1.648 0.512 0.761 1.000 0.778 CB 0.943 10 residues pruned to eliminate duplicates Z: 9 15.856 1.929 0.710 0.847 1.000 0.625 CB 1.262 9 residues pruned to eliminate duplicates Z: 14 17.900 1.832 0.599 0.881 0.846 0.846 CA 1.450 14 residues pruned to eliminate duplicates Z: 9 16.942 1.949 0.392 0.851 1.000 0.750 CB 1.635 9 residues pruned to eliminate duplicates Z: 15 26.320 1.982 0.735 0.923 0.929 0.643 CB 1.548 15 residues pruned to eliminate duplicates Z: 14 26.345 2.050 0.561 0.895 1.000 0.846 CB 1.638 14 residues pruned to eliminate duplicates Z: 9 11.997 1.978 0.396 0.772 1.000 0.625 CB 1.207 9 residues pruned to eliminate duplicates Z: 59 38.676 2.270 0.590 0.441 0.914 0.534 CB 1.636 59 residues pruned to eliminate duplicates Z: 24 32.822 2.041 0.446 0.913 1.000 0.870 CA 1.642 24 residues pruned to eliminate duplicates Z: 26 22.538 2.025 0.444 0.621 0.960 0.720 CB 1.432 26 residues pruned to eliminate duplicates Z: 20 15.827 1.723 0.503 0.870 1.000 0.789 CB 1.023 20 residues pruned to eliminate duplicates Z: 19 16.067 1.692 0.132 0.919 1.000 0.889 CB 1.394 Z: 31 38.474 2.221 0.346 0.919 1.000 0.867 CA 1.656 31 residues pruned to eliminate duplicates Z: 24 18.170 1.984 0.724 0.522 0.870 0.478 CB 1.247 24 residues pruned to eliminate duplicates Z: 12 36.127 2.280 1.183 0.884 1.000 0.545 CA 1.582 12 residues pruned to eliminate duplicates Z: 22 38.414 2.003 1.040 0.926 1.000 0.571 CB 1.439 22 residues pruned to eliminate duplicates Z: 11 13.520 1.838 0.422 0.852 1.000 0.800 CB 1.210 11 residues pruned to eliminate duplicates Z: 13 5.672 1.905 0.379 0.419 0.833 0.583 CB 0.813 2 residues pruned to eliminate duplicates Z: 14 23.548 1.977 0.585 0.800 1.000 0.615 CA 1.603 14 residues pruned to eliminate duplicates Z: 17 14.675 1.708 0.516 0.834 0.875 0.750 CB 1.214 17 residues pruned to eliminate duplicates Z: 26 9.099 1.903 0.242 0.361 0.760 0.640 CB 1.176 28 residues pruned to eliminate duplicates Z: 15 25.339 1.919 0.558 0.891 1.000 0.857 N 1.628 15 residues pruned to eliminate duplicates Z: 29 24.605 1.922 0.204 0.918 0.964 0.893 CA 1.470 29 residues pruned to eliminate duplicates Z: 26 12.391 1.960 0.424 0.337 0.880 0.560 CA 1.206 26 residues pruned to eliminate duplicates Z: 7 4.543 1.929 0.749 0.248 0.667 0.333 CB 1.102 Z: 24 28.294 1.947 0.535 0.879 0.957 0.696 CB 1.497 24 residues pruned to eliminate duplicates Z: 29 35.098 1.943 0.812 0.898 0.964 0.679 CB 1.398 29 residues pruned to eliminate duplicates Z: 18 19.196 1.876 0.371 0.864 0.941 0.765 CB 1.410 18 residues pruned to eliminate duplicates Z: 10 12.351 1.876 0.398 0.858 1.000 0.667 CB 1.156 10 residues pruned to eliminate duplicates Z: 57 21.775 1.930 0.473 0.417 0.839 0.536 CB 1.330 57 residues pruned to eliminate duplicates Z: 6 4.954 1.684 -0.035 0.392 1.000 0.600 CB 1.528 Z: 26 41.395 2.031 0.994 0.929 1.000 0.520 CB 1.431 26 residues pruned to eliminate duplicates Z: 23 27.795 1.974 0.534 0.865 0.955 0.636 CB 1.502 23 residues pruned to eliminate duplicates Z: 15 21.238 1.753 0.776 0.893 0.929 0.857 CA 1.409 15 residues pruned to eliminate duplicates Z: 27 34.460 1.993 0.587 0.908 0.962 0.885 CA 1.579 27 residues pruned to eliminate duplicates Z: 30 43.445 1.997 0.730 0.944 1.000 0.793 CA 1.617 30 residues pruned to eliminate duplicates Z: 9 20.247 2.018 0.666 0.845 1.000 0.625 CA 1.584 9 residues pruned to eliminate duplicates Z: 12 14.351 1.658 0.612 0.874 1.000 0.818 CB 1.178 Z: 12 40.345 2.333 1.237 0.933 1.000 0.364 CB 1.626 12 residues pruned to eliminate duplicates Z: 11 12.828 1.712 0.341 0.884 1.000 0.900 CB 1.276 11 residues pruned to eliminate duplicates Z: 13 16.462 1.782 0.468 0.918 1.000 0.917 CB 1.281 13 residues pruned to eliminate duplicates Z: 16 22.701 1.963 0.477 0.837 1.000 0.733 CA 1.513 16 residues pruned to eliminate duplicates Z: 25 28.393 2.158 0.571 0.637 0.958 0.708 CB 1.570 25 residues pruned to eliminate duplicates Z: 9 12.957 1.953 0.177 0.844 1.000 0.750 CB 1.482 9 residues pruned to eliminate duplicates Z: 7 16.640 2.162 0.256 0.896 1.000 0.667 CB 1.791 7 residues pruned to eliminate duplicates Z: 8 13.868 2.041 0.634 0.836 0.857 0.714 CA 1.372 8 residues pruned to eliminate duplicates Z: 10 13.657 1.807 0.432 0.812 1.000 0.889 CB 1.341 10 residues pruned to eliminate duplicates Z: 7 3.969 1.617 0.552 0.248 0.833 0.500 CB 1.036 7 residues pruned to eliminate duplicates Z: 7 7.958 1.842 0.359 0.481 0.833 0.667 CB 1.587 Z: 6 3.992 1.817 0.345 0.825 0.600 0.600 CA 0.919 6 residues pruned to eliminate duplicates Z: 6 14.834 1.948 1.085 0.681 1.000 0.400 CA 1.383 6 residues pruned to eliminate duplicates Z: 15 23.899 2.049 0.637 0.880 1.000 0.500 CB 1.380 15 residues pruned to eliminate duplicates Z: 31 44.136 2.088 0.950 0.892 0.967 0.467 CB 1.470 31 residues pruned to eliminate duplicates Z: 37 34.033 1.967 0.871 0.746 0.917 0.500 CB 1.349 36 residues pruned to eliminate duplicates Z: 14 24.815 2.026 0.534 0.867 1.000 0.846 CA 1.621 14 residues pruned to eliminate duplicates Z: 10 23.314 2.085 0.895 0.902 1.000 0.333 CB 1.403 10 residues pruned to eliminate duplicates Z: 16 15.488 1.642 0.695 0.852 0.933 0.733 CA 1.138 16 residues pruned to eliminate duplicates Z: 17 28.447 2.064 0.784 0.846 0.938 0.812 CA 1.531 17 residues pruned to eliminate duplicates Z: 43 40.039 2.207 0.928 0.558 0.929 0.500 CB 1.478 69 residues pruned to eliminate duplicates Z: 16 25.504 1.983 0.886 0.870 0.933 0.667 CB 1.377 15 residues pruned to eliminate duplicates Z: 6 7.052 1.655 0.553 0.409 1.000 0.800 N 1.350 6 residues pruned to eliminate duplicates Z: 12 16.090 1.859 0.575 0.916 1.000 0.727 CB 1.170 12 residues pruned to eliminate duplicates Z: 16 17.138 1.906 0.659 0.613 0.867 0.667 CB 1.450 10 residues pruned to eliminate duplicates Z: 11 12.234 1.848 0.199 0.840 1.000 0.700 CB 1.303 12 residues pruned to eliminate duplicates Z: 18 23.120 1.999 0.461 0.866 0.941 0.706 CA 1.494 18 residues pruned to eliminate duplicates Z: 37 31.785 1.932 0.657 0.743 0.917 0.528 CB 1.452 37 residues pruned to eliminate duplicates Z: 28 46.179 2.233 0.776 0.930 1.000 0.704 CB 1.566 28 residues pruned to eliminate duplicates Z: 58 24.010 1.991 0.382 0.462 0.877 0.579 CB 1.370 58 residues pruned to eliminate duplicates Z: 13 19.051 1.981 0.609 0.796 0.917 0.583 CB 1.452 13 residues pruned to eliminate duplicates Z: 11 26.771 2.247 0.590 0.908 1.000 1.000 CA 1.684 11 residues pruned to eliminate duplicates Z: 19 10.078 1.805 0.604 0.385 0.889 0.778 CB 1.043 19 residues pruned to eliminate duplicates Z: 10 20.576 1.798 1.003 0.894 1.000 0.667 CA 1.366 10 residues pruned to eliminate duplicates Z: 16 13.515 1.732 0.362 0.935 1.000 1.000 CB 1.031 16 residues pruned to eliminate duplicates Z: 8 25.153 2.096 0.790 0.900 1.000 1.000 N 1.810 9 residues pruned to eliminate duplicates 9 1.564 1.351 0.403 0.062 0.750 0.500 CA 0.691 ? Z: 12 7.500 1.649 0.256 0.435 1.000 0.455 CB 1.168 10 residues pruned to eliminate duplicates Z: 8 9.260 1.849 0.100 0.857 1.000 0.857 CA 1.268 8 residues pruned to eliminate duplicates Z: 11 8.853 1.878 0.311 0.646 0.800 0.500 CB 1.240 11 residues pruned to eliminate duplicates Z: 7 4.716 1.623 -0.086 0.560 1.000 0.833 CB 1.225 7 residues pruned to eliminate duplicates Z: 17 9.690 1.873 0.650 0.445 0.938 0.625 CB 0.885 19 residues pruned to eliminate duplicates Z: 29 18.882 1.944 0.552 0.526 0.821 0.429 CB 1.404 20 residues pruned to eliminate duplicates Z: 17 17.918 1.711 0.825 0.838 0.875 0.625 CB 1.225 16 residues pruned to eliminate duplicates Z: 13 13.378 1.797 0.281 0.916 1.000 1.000 CA 1.185 13 residues pruned to eliminate duplicates Z: 30 43.926 2.134 0.861 0.927 1.000 0.793 CA 1.439 30 residues pruned to eliminate duplicates Z: 9 16.281 2.006 0.367 0.857 1.000 0.500 CA 1.547 9 residues pruned to eliminate duplicates Z: 8 5.446 1.741 1.036 0.313 0.571 0.429 N 1.250 Z: 11 10.947 1.633 0.617 0.846 0.900 0.800 CB 1.082 11 residues pruned to eliminate duplicates Z: 12 16.480 1.828 0.543 0.924 1.000 1.000 CB 1.237 12 residues pruned to eliminate duplicates Z: 20 16.908 1.696 0.329 0.886 0.947 0.842 CB 1.310 20 residues pruned to eliminate duplicates Z: 7 7.468 1.684 0.451 0.654 1.000 0.667 CB 1.082 Z: 18 20.780 1.759 0.614 0.886 0.941 0.706 CB 1.361 16 residues pruned to eliminate duplicates Z: 12 25.459 2.049 0.698 0.928 1.000 1.000 CB 1.544 12 residues pruned to eliminate duplicates Z: 15 26.233 1.974 0.610 0.879 1.000 0.643 CB 1.600 15 residues pruned to eliminate duplicates Z: 24 23.970 1.894 0.410 0.866 0.913 0.652 CB 1.500 24 residues pruned to eliminate duplicates Z: 20 17.247 1.881 0.268 0.811 0.947 0.737 CB 1.335 20 residues pruned to eliminate duplicates Z: 28 36.762 1.977 0.940 0.927 0.963 0.778 CB 1.342 28 residues pruned to eliminate duplicates Z: 62 30.692 1.998 0.518 0.563 0.934 0.574 CB 1.304 62 residues pruned to eliminate duplicates Z: 17 13.864 1.698 0.296 0.906 0.938 0.812 CB 1.195 17 residues pruned to eliminate duplicates Z: 33 21.174 2.098 0.482 0.500 0.875 0.594 CB 1.376 33 residues pruned to eliminate duplicates Z: 7 7.196 1.547 0.476 0.533 1.000 0.667 CB 1.246 7 residues pruned to eliminate duplicates Z: 16 14.196 1.826 0.404 0.872 0.867 0.667 CB 1.203 16 residues pruned to eliminate duplicates Z: 6 5.704 1.644 0.070 0.802 1.000 0.600 CB 1.114 6 residues pruned to eliminate duplicates 7 1.463 1.688 0.036 0.415 0.667 0.333 CB 0.560 ? Z: 11 12.965 1.918 0.492 0.457 1.000 0.800 CB 1.498 11 residues pruned to eliminate duplicates Z: 12 8.861 1.705 0.450 0.839 0.818 0.455 CB 0.987 12 residues pruned to eliminate duplicates Z: 18 13.591 2.210 0.579 0.334 0.765 0.353 CA 1.481 18 residues pruned to eliminate duplicates Z: 10 9.195 1.910 0.185 0.801 0.889 0.778 CB 1.170 10 residues pruned to eliminate duplicates Z: 15 16.998 1.909 0.554 0.843 0.786 0.500 CB 1.451 15 residues pruned to eliminate duplicates Z: 42 21.801 1.977 0.516 0.452 0.878 0.512 CB 1.359 56 residues pruned to eliminate duplicates Z: 16 19.532 1.983 0.190 0.900 1.000 0.800 CA 1.526 16 residues pruned to eliminate duplicates Z: 17 19.278 1.949 0.335 0.848 0.938 0.750 CA 1.465 17 residues pruned to eliminate duplicates Z: 8 2.991 1.568 0.210 0.398 0.714 0.286 N 0.929 Z: 6 3.065 1.359 0.512 0.302 0.800 0.400 O 1.039 Z: 9 4.161 1.953 -0.331 0.600 1.000 0.375 CB 1.023 9 residues pruned to eliminate duplicates Z: 10 6.558 1.491 0.700 0.759 1.000 0.778 CB 0.685 8 residues pruned to eliminate duplicates Z: 14 10.707 1.587 0.669 0.772 0.923 0.538 CB 0.955 14 residues pruned to eliminate duplicates Z: 23 27.199 1.934 0.723 0.931 0.955 0.364 CB 1.274 23 residues pruned to eliminate duplicates Z: 26 37.057 1.995 0.963 0.928 1.000 0.480 CB 1.325 26 residues pruned to eliminate duplicates Z: 21 13.962 1.903 0.538 0.454 0.850 0.600 CB 1.315 21 residues pruned to eliminate duplicates Z: 11 16.002 1.902 0.489 0.882 0.900 0.800 CA 1.437 11 residues pruned to eliminate duplicates Z: 23 19.402 2.136 0.633 0.567 0.818 0.636 CB 1.358 23 residues pruned to eliminate duplicates Z: 9 11.352 1.871 0.117 0.911 1.000 0.875 O 1.361 9 residues pruned to eliminate duplicates Z: 14 22.076 1.916 0.370 0.908 1.000 1.000 CB 1.656 14 residues pruned to eliminate duplicates Z: 11 14.212 1.975 0.436 0.888 1.000 0.800 CB 1.142 11 residues pruned to eliminate duplicates Z: 9 7.968 2.058 0.367 0.684 1.000 0.875 CB 0.846 9 residues pruned to eliminate duplicates Z: 22 31.761 1.998 0.794 0.905 0.952 0.571 CB 1.445 22 residues pruned to eliminate duplicates Z: 23 20.153 2.169 0.708 0.353 0.909 0.455 CA 1.497 23 residues pruned to eliminate duplicates Z: 14 10.325 1.735 0.126 0.799 0.923 0.692 CB 1.222 14 residues pruned to eliminate duplicates Z: 63 41.475 2.068 0.667 0.619 0.935 0.581 CB 1.460 63 residues pruned to eliminate duplicates Z: 17 15.383 1.809 0.338 0.877 0.938 0.812 CB 1.231 17 residues pruned to eliminate duplicates Z: 26 23.233 2.046 0.568 0.591 0.960 0.560 CB 1.383 25 residues pruned to eliminate duplicates Z: 6 2.734 1.716 -0.019 0.309 0.800 0.400 CB 1.122 6 residues pruned to eliminate duplicates Z: 16 20.207 1.822 0.883 0.864 0.933 0.400 CB 1.195 16 residues pruned to eliminate duplicates Z: 9 19.489 1.913 0.528 0.880 1.000 0.875 CB 1.708 9 residues pruned to eliminate duplicates Z: 77 47.289 2.270 0.549 0.617 0.895 0.658 CB 1.544 77 residues pruned to eliminate duplicates Z: 12 22.808 1.885 0.730 0.885 1.000 0.818 CA 1.523 12 residues pruned to eliminate duplicates Z: 9 6.114 1.625 0.348 0.423 0.875 0.500 CB 1.222 Z: 23 18.171 2.023 0.371 0.611 0.909 0.591 CB 1.382 23 residues pruned to eliminate duplicates Z: 17 24.855 2.026 0.587 0.834 0.938 0.750 CA 1.546 17 residues pruned to eliminate duplicates Z: 9 14.691 1.835 0.847 0.770 0.875 0.750 CB 1.380 8 residues pruned to eliminate duplicates Z: 45 28.375 2.080 0.625 0.465 0.886 0.455 CB 1.480 53 residues pruned to eliminate duplicates Z: 10 10.600 1.823 0.561 0.638 1.000 0.778 CB 1.092 Z: 7 4.014 1.354 0.761 0.529 0.833 0.500 CB 0.801 Z: 13 18.057 1.832 0.471 0.908 1.000 0.917 CA 1.375 13 residues pruned to eliminate duplicates Z: 31 40.340 2.221 0.424 0.954 1.000 0.967 CA 1.602 31 residues pruned to eliminate duplicates Z: 7 3.887 1.312 0.472 0.412 1.000 0.500 CB 0.901 Z: 11 22.864 1.981 0.823 0.928 1.000 0.900 CB 1.402 11 residues pruned to eliminate duplicates Z: 7 2.765 1.517 0.320 0.388 0.667 0.500 O 0.952 7 residues pruned to eliminate duplicates Z: 17 13.193 1.789 0.567 0.520 0.938 0.750 CB 1.230 7 residues pruned to eliminate duplicates Z: 13 10.471 1.638 0.348 0.808 0.917 0.500 CB 1.141 13 residues pruned to eliminate duplicates Z: 6 4.641 1.826 0.653 0.351 0.800 0.600 CB 1.010 6 residues pruned to eliminate duplicates Z: 66 51.761 2.225 0.806 0.556 0.938 0.677 CB 1.612 66 residues pruned to eliminate duplicates Z: 6 3.859 1.480 0.237 0.433 0.800 0.400 CB 1.262 Z: 14 11.645 1.674 0.055 0.908 1.000 0.846 CB 1.298 14 residues pruned to eliminate duplicates Z: 13 17.476 1.903 0.733 0.830 0.917 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 21 19.900 1.998 0.510 0.563 0.900 0.600 CB 1.540 9 residues pruned to eliminate duplicates Z: 15 20.891 2.144 0.280 0.874 0.929 0.929 CA 1.594 15 residues pruned to eliminate duplicates Z: 10 4.305 1.807 0.716 0.276 0.556 0.222 CB 1.074 10 residues pruned to eliminate duplicates Z: 59 38.482 1.955 0.670 0.686 0.931 0.586 CB 1.401 28 residues pruned to eliminate duplicates Z: 13 9.631 1.985 0.238 0.585 1.000 0.583 CB 1.043 13 residues pruned to eliminate duplicates Z: 16 23.430 1.958 0.643 0.816 1.000 0.667 CB 1.429 16 residues pruned to eliminate duplicates Z: 12 11.240 1.853 0.793 0.816 0.909 0.727 CB 0.853 12 residues pruned to eliminate duplicates Z: 39 19.945 1.936 0.623 0.526 0.842 0.605 CB 1.192 39 residues pruned to eliminate duplicates Z: 26 14.202 2.109 0.586 0.400 0.720 0.520 CB 1.311 26 residues pruned to eliminate duplicates Z: 7 8.408 1.836 0.389 0.485 0.833 0.500 CA 1.641 7 residues pruned to eliminate duplicates Z: 6 4.367 1.539 0.432 0.770 1.000 0.600 N 0.698 Z: 9 12.712 1.873 0.226 0.894 1.000 0.750 CB 1.403 9 residues pruned to eliminate duplicates Z: 20 18.739 1.702 0.632 0.908 0.947 0.737 CB 1.160 17 residues pruned to eliminate duplicates Z: 11 4.346 1.519 0.335 0.479 0.900 0.600 CB 0.769 6 residues pruned to eliminate duplicates Z: 7 7.961 1.886 0.311 0.698 1.000 0.833 CB 1.097 7 residues pruned to eliminate duplicates Z: 8 9.007 1.539 0.543 0.863 0.857 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 8 5.162 1.458 0.351 0.467 0.857 0.571 O 1.195 8 residues pruned to eliminate duplicates Z: 24 19.318 2.066 0.849 0.446 0.913 0.565 CB 1.221 31 residues pruned to eliminate duplicates Z: 7 6.572 1.635 0.162 0.734 0.833 0.500 CB 1.374 7 residues pruned to eliminate duplicates Z: 8 7.151 1.936 0.777 0.583 1.000 0.571 CB 0.726 8 residues pruned to eliminate duplicates Z: 30 41.442 2.236 0.491 0.924 1.000 0.897 CB 1.622 30 residues pruned to eliminate duplicates Z: 7 10.466 1.872 0.915 0.757 1.000 0.833 CB 0.948 7 residues pruned to eliminate duplicates Z: 105 50.187 2.123 0.586 0.566 0.913 0.663 CB 1.501 105 residues pruned to eliminate duplicates Z: 7 2.387 1.322 0.228 0.209 0.833 0.333 CB 1.016 Z: 21 24.130 1.904 0.688 0.800 0.900 0.650 CB 1.435 21 residues pruned to eliminate duplicates Z: 10 8.005 1.921 0.475 0.411 0.889 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 13 25.397 1.921 0.897 0.924 1.000 0.833 N 1.413 13 residues pruned to eliminate duplicates Z: 12 9.123 1.892 0.509 0.477 0.818 0.636 CB 1.206 12 residues pruned to eliminate duplicates Z: 11 3.774 1.450 0.334 0.454 0.700 0.600 CB 0.924 11 residues pruned to eliminate duplicates Z: 9 7.753 1.944 0.372 0.632 1.000 0.625 CB 0.908 9 residues pruned to eliminate duplicates Z: 26 23.475 1.931 0.586 0.594 0.960 0.800 CB 1.459 26 residues pruned to eliminate duplicates Z: 28 24.636 1.998 0.646 0.568 0.926 0.593 CB 1.458 26 residues pruned to eliminate duplicates Z: 13 10.648 1.722 0.099 0.856 1.000 0.833 CB 1.198 13 residues pruned to eliminate duplicates Z: 6 2.030 1.446 0.128 0.442 0.800 0.600 CB 0.739 Z: 20 25.254 1.954 0.826 0.886 0.947 0.316 CB 1.237 20 residues pruned to eliminate duplicates Z: 19 12.910 1.662 0.120 0.929 0.944 0.778 O 1.211 19 residues pruned to eliminate duplicates Z: 21 32.014 2.086 0.901 0.953 0.850 0.500 CB 1.462 21 residues pruned to eliminate duplicates Z: 9 12.481 1.703 0.853 0.790 0.875 0.625 CB 1.239 9 residues pruned to eliminate duplicates Z: 7 8.184 1.839 0.294 0.755 1.000 1.000 CB 1.118 7 residues pruned to eliminate duplicates Z: 16 19.046 1.821 0.427 0.879 0.933 0.800 CA 1.470 16 residues pruned to eliminate duplicates Z: 37 27.006 1.986 0.673 0.716 0.889 0.278 CB 1.253 37 residues pruned to eliminate duplicates Z: 17 24.144 1.912 0.605 0.933 0.938 0.625 CB 1.464 17 residues pruned to eliminate duplicates Z: 27 34.830 2.048 0.765 0.875 0.923 0.462 CB 1.489 27 residues pruned to eliminate duplicates Z: 9 9.649 1.680 0.496 0.780 0.875 0.625 CB 1.211 9 residues pruned to eliminate duplicates Z: 25 20.364 1.891 0.342 0.846 0.917 0.792 CB 1.328 25 residues pruned to eliminate duplicates Z: 15 8.582 1.950 0.398 0.379 0.714 0.571 CB 1.340 15 residues pruned to eliminate duplicates Z: 8 12.550 1.737 0.587 0.757 1.000 0.714 CB 1.369 8 residues pruned to eliminate duplicates Z: 39 31.316 1.899 0.700 0.749 0.921 0.500 CB 1.368 39 residues pruned to eliminate duplicates Z: 22 17.224 1.702 0.374 0.887 0.905 0.667 CB 1.281 22 residues pruned to eliminate duplicates Z: 11 18.977 2.090 0.613 0.832 0.900 0.700 CB 1.486 11 residues pruned to eliminate duplicates Z: 6 8.965 1.968 0.898 0.867 1.000 1.000 CB 0.785 6 residues pruned to eliminate duplicates Z: 9 2.896 1.574 0.067 0.395 0.875 0.625 CB 0.779 Z: 12 7.137 1.600 0.289 0.331 0.909 0.364 O 1.381 11 residues pruned to eliminate duplicates Z: 11 11.157 1.973 0.018 0.917 1.000 0.900 CB 1.239 11 residues pruned to eliminate duplicates Z: 28 31.549 1.884 0.808 0.794 0.926 0.444 CB 1.488 28 residues pruned to eliminate duplicates Z: 6 5.143 2.120 0.512 0.671 0.800 0.600 CB 0.766 7 residues pruned to eliminate duplicates Z: 9 2.829 1.379 0.508 0.178 0.625 0.500 O 1.136 Z: 37 27.416 2.241 0.659 0.393 0.889 0.556 CB 1.549 37 residues pruned to eliminate duplicates Z: 15 21.622 1.955 0.707 0.911 0.929 0.429 CB 1.321 15 residues pruned to eliminate duplicates Z: 12 8.802 1.841 0.345 0.480 0.909 0.455 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 18.125 1.792 0.786 0.845 0.900 0.700 CA 1.480 11 residues pruned to eliminate duplicates Z: 26 36.629 2.202 1.076 0.649 0.920 0.600 CB 1.516 26 residues pruned to eliminate duplicates Z: 11 16.096 2.078 0.459 0.800 0.900 0.600 CB 1.435 11 residues pruned to eliminate duplicates Z: 34 26.375 2.001 0.614 0.623 0.909 0.727 CB 1.392 34 residues pruned to eliminate duplicates Z: 19 11.755 1.964 0.376 0.425 1.000 0.444 CB 1.109 19 residues pruned to eliminate duplicates Z: 10 19.510 1.915 0.659 0.886 1.000 0.667 CB 1.478 10 residues pruned to eliminate duplicates Z: 11 2.826 1.759 -0.023 0.155 0.800 0.500 CB 0.992 Z: 15 6.363 1.692 0.318 0.407 0.857 0.500 CB 0.981 Z: 21 20.210 1.894 0.820 0.687 0.750 0.300 CB 1.473 21 residues pruned to eliminate duplicates Z: 27 34.371 1.991 0.606 0.928 1.000 0.885 CA 1.476 27 residues pruned to eliminate duplicates Z: 13 11.274 1.970 0.578 0.824 0.917 0.250 CB 0.863 13 residues pruned to eliminate duplicates Z: 22 18.310 1.719 0.454 0.900 0.952 0.905 CB 1.198 22 residues pruned to eliminate duplicates Z: 20 25.524 2.006 0.584 0.895 0.947 0.895 CA 1.394 20 residues pruned to eliminate duplicates Z: 11 16.021 1.975 0.586 0.911 1.000 0.700 CB 1.146 11 residues pruned to eliminate duplicates Z: 28 21.490 2.073 0.395 0.586 0.889 0.630 CB 1.481 28 residues pruned to eliminate duplicates Z: 10 11.338 1.595 0.585 0.898 0.778 0.778 CB 1.375 10 residues pruned to eliminate duplicates Z: 11 13.308 1.911 0.625 0.870 0.900 0.500 CB 1.099 11 residues pruned to eliminate duplicates Z: 10 15.845 1.771 0.872 0.890 1.000 0.889 CB 1.146 10 residues pruned to eliminate duplicates Z: 16 19.565 1.837 0.369 0.873 1.000 0.867 CA 1.462 16 residues pruned to eliminate duplicates Z: 10 6.807 1.680 0.454 0.565 0.889 0.444 CB 0.981 10 residues pruned to eliminate duplicates Z: 7 12.070 1.847 0.864 0.802 1.000 0.833 CA 1.100 7 residues pruned to eliminate duplicates Z: 8 4.410 1.789 0.332 0.388 0.857 0.571 CB 0.919 8 residues pruned to eliminate duplicates Z: 6 3.076 1.820 0.201 0.391 0.800 0.600 CB 0.884 Z: 13 18.968 2.115 0.692 0.731 0.917 0.417 CB 1.356 13 residues pruned to eliminate duplicates Z: 9 6.140 1.524 0.376 0.398 0.875 0.375 O 1.317 8 residues pruned to eliminate duplicates Z: 6 4.386 1.669 0.181 0.556 0.800 0.600 CB 1.178 6 residues pruned to eliminate duplicates Z: 23 29.289 1.905 0.734 0.922 0.955 0.773 CB 1.392 23 residues pruned to eliminate duplicates Z: 17 14.840 1.684 0.600 0.834 0.938 0.625 CB 1.101 17 residues pruned to eliminate duplicates Z: 8 17.486 2.067 0.530 0.870 1.000 1.000 N 1.525 8 residues pruned to eliminate duplicates Z: 6 4.193 1.493 0.481 0.487 1.000 0.600 CB 0.859 7 residues pruned to eliminate duplicates Z: 20 17.065 1.677 0.682 0.915 1.000 0.684 CB 0.980 20 residues pruned to eliminate duplicates Z: 16 7.614 1.696 0.430 0.308 0.867 0.533 CB 1.157 16 residues pruned to eliminate duplicates Z: 18 18.620 1.926 0.581 0.895 0.941 0.882 CA 1.130 18 residues pruned to eliminate duplicates Z: 16 17.094 1.854 0.430 0.865 0.933 0.867 CB 1.308 16 residues pruned to eliminate duplicates Z: 9 8.700 1.643 0.478 0.729 0.875 0.375 CB 1.178 9 residues pruned to eliminate duplicates Z: 14 25.725 1.935 0.589 0.911 1.000 0.615 CA 1.644 14 residues pruned to eliminate duplicates Z: 26 16.601 1.995 0.529 0.540 0.760 0.400 CB 1.378 26 residues pruned to eliminate duplicates Z: 42 28.896 1.899 0.672 0.640 0.927 0.512 CB 1.345 42 residues pruned to eliminate duplicates Z: 10 2.550 1.351 0.150 0.322 0.778 0.444 CB 0.857 Z: 14 7.761 1.709 0.806 0.369 0.846 0.615 CB 0.949 7 residues pruned to eliminate duplicates Z: 18 14.613 1.786 0.632 0.838 0.941 0.412 CB 0.965 18 residues pruned to eliminate duplicates Z: 18 25.263 1.870 0.604 0.829 0.941 0.765 CB 1.633 18 residues pruned to eliminate duplicates Z: 15 16.127 2.179 0.591 0.469 0.857 0.571 CB 1.497 15 residues pruned to eliminate duplicates Z: 6 5.446 1.910 -0.157 0.822 1.000 0.800 CB 1.144 7 residues pruned to eliminate duplicates Z: 11 15.168 1.782 0.667 0.845 1.000 0.600 CB 1.200 10 residues pruned to eliminate duplicates Z: 7 10.797 2.082 0.039 0.864 1.000 1.000 CA 1.494 7 residues pruned to eliminate duplicates Z: 20 14.242 2.200 0.599 0.422 0.789 0.474 CB 1.276 20 residues pruned to eliminate duplicates Z: 6 5.771 1.412 0.883 0.524 1.000 0.600 N 0.948 Z: 7 3.834 1.764 0.413 0.212 0.833 0.500 CB 1.059 Z: 16 13.738 1.686 0.425 0.911 1.000 0.867 CB 1.046 16 residues pruned to eliminate duplicates Z: 8 10.747 1.893 0.306 0.792 1.000 0.714 CA 1.272 8 residues pruned to eliminate duplicates Z: 29 17.812 2.148 0.464 0.389 0.893 0.571 CB 1.348 29 residues pruned to eliminate duplicates 6 1.041 1.172 0.668 0.334 0.600 0.400 O 0.476 ? Z: 60 36.944 1.985 0.745 0.678 0.864 0.542 CB 1.364 58 residues pruned to eliminate duplicates Z: 63 34.369 2.079 0.555 0.498 0.919 0.581 CB 1.473 112 residues pruned to eliminate duplicates Z: 13 20.381 1.851 0.476 0.924 1.000 0.833 CB 1.512 13 residues pruned to eliminate duplicates Z: 6 4.280 1.713 0.434 0.546 1.000 0.600 CB 0.745 Z: 13 20.506 2.028 0.264 0.848 1.000 0.583 CB 1.713 13 residues pruned to eliminate duplicates Z: 6 3.842 1.588 0.457 0.456 0.800 0.600 CB 0.971 Z: 42 33.662 2.052 0.630 0.748 0.951 0.780 CA 1.323 42 residues pruned to eliminate duplicates Z: 12 18.970 1.925 0.534 0.914 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 16 17.204 1.908 0.289 0.873 1.000 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 26 34.309 1.954 0.762 0.915 0.960 0.880 CA 1.468 26 residues pruned to eliminate duplicates Z: 14 18.507 1.837 0.529 0.888 1.000 0.846 CA 1.316 14 residues pruned to eliminate duplicates Z: 24 19.254 2.176 0.676 0.341 0.870 0.435 CA 1.507 24 residues pruned to eliminate duplicates Z: 9 11.237 1.717 0.551 0.858 1.000 0.625 CB 1.099 9 residues pruned to eliminate duplicates Z: 8 15.061 1.914 0.797 0.795 0.857 0.714 CB 1.491 8 residues pruned to eliminate duplicates Z: 19 17.795 2.039 0.737 0.499 0.889 0.500 CB 1.334 Z: 22 22.750 1.721 0.454 0.937 1.000 0.762 CB 1.380 22 residues pruned to eliminate duplicates Z: 14 14.984 1.892 0.534 0.899 0.923 0.846 CB 1.109 14 residues pruned to eliminate duplicates Z: 26 17.859 2.033 0.680 0.376 0.880 0.440 CB 1.357 26 residues pruned to eliminate duplicates Z: 7 6.976 1.512 0.531 0.712 1.000 1.000 CB 1.016 5 residues pruned to eliminate duplicates Z: 32 38.502 1.905 0.833 0.924 0.968 0.387 CB 1.437 32 residues pruned to eliminate duplicates Z: 19 15.314 1.691 0.628 0.880 0.944 0.722 CB 1.006 19 residues pruned to eliminate duplicates Z: 11 11.596 1.918 0.393 0.583 1.000 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 26 31.510 1.939 0.519 0.909 0.960 0.680 CA 1.583 26 residues pruned to eliminate duplicates Z: 7 6.207 1.716 0.339 0.659 0.833 0.667 N 1.141 7 residues pruned to eliminate duplicates Z: 7 11.751 1.751 0.505 0.874 1.000 0.667 CB 1.325 7 residues pruned to eliminate duplicates Z: 7 7.883 1.741 0.636 0.752 1.000 0.833 CB 0.902 Z: 9 17.493 2.042 0.490 0.881 1.000 0.750 CA 1.472 9 residues pruned to eliminate duplicates Z: 36 17.790 1.991 0.389 0.485 0.857 0.657 CB 1.288 27 residues pruned to eliminate duplicates Z: 8 9.382 1.796 0.647 0.821 0.857 0.286 CB 1.058 8 residues pruned to eliminate duplicates Z: 30 23.868 2.013 0.663 0.661 0.828 0.517 CB 1.377 30 residues pruned to eliminate duplicates Z: 17 12.913 1.671 0.254 0.810 0.938 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 6 2.875 1.378 0.457 0.381 0.800 0.400 N 0.909 Z: 13 22.166 2.103 0.699 0.907 0.917 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 24 42.653 2.250 1.124 0.934 0.870 0.348 CB 1.492 24 residues pruned to eliminate duplicates Z: 16 12.388 1.672 0.573 0.869 0.867 0.600 CB 1.025 16 residues pruned to eliminate duplicates Z: 19 24.820 1.887 0.863 0.914 0.778 0.333 CB 1.514 19 residues pruned to eliminate duplicates Z: 18 31.240 1.888 1.201 0.907 0.941 0.588 CB 1.376 18 residues pruned to eliminate duplicates Z: 7 2.787 1.454 1.080 0.247 0.667 0.500 CB 0.755 Z: 6 4.283 1.342 0.306 0.437 1.000 0.400 CB 1.167 Z: 25 24.111 1.960 0.417 0.807 0.958 0.792 CA 1.415 25 residues pruned to eliminate duplicates Z: 23 30.814 1.929 0.853 0.929 1.000 0.455 CB 1.286 23 residues pruned to eliminate duplicates Z: 14 16.589 1.751 0.378 0.914 1.000 0.692 CB 1.348 13 residues pruned to eliminate duplicates Z: 46 35.434 2.194 0.750 0.625 0.822 0.556 CB 1.487 46 residues pruned to eliminate duplicates Z: 15 16.347 1.908 0.467 0.879 0.857 0.357 CB 1.321 15 residues pruned to eliminate duplicates Z: 13 20.205 1.907 0.403 0.916 1.000 1.000 CB 1.540 13 residues pruned to eliminate duplicates Z: 7 8.202 2.099 0.196 0.699 0.833 0.667 CA 1.334 7 residues pruned to eliminate duplicates Z: 8 15.188 1.850 0.977 0.903 0.857 0.714 CB 1.305 8 residues pruned to eliminate duplicates Z: 82 44.904 2.201 0.602 0.524 0.889 0.617 CB 1.555 82 residues pruned to eliminate duplicates Z: 7 4.508 1.513 0.631 0.758 1.000 0.833 CB 0.593 Z: 7 6.367 1.979 0.434 0.577 0.667 0.500 CB 1.275 7 residues pruned to eliminate duplicates Z: 10 20.598 1.914 0.733 0.886 1.000 0.778 CB 1.493 16 residues pruned to eliminate duplicates Z: 6 13.421 2.148 1.051 0.859 1.000 0.800 CA 1.002 6 residues pruned to eliminate duplicates Z: 12 4.772 1.620 0.040 0.265 0.818 0.273 N 1.365 12 residues pruned to eliminate duplicates Z: 17 15.134 1.764 0.118 0.921 1.000 0.875 CB 1.350 17 residues pruned to eliminate duplicates Z: 12 7.088 1.650 0.566 0.475 0.727 0.545 CB 1.167 Z: 12 7.543 1.798 0.183 0.414 0.818 0.636 CB 1.429 18 residues pruned to eliminate duplicates Z: 25 22.670 1.790 0.621 0.691 0.958 0.417 CB 1.397 25 residues pruned to eliminate duplicates Z: 23 16.865 1.671 0.460 0.900 0.955 0.591 CB 1.103 23 residues pruned to eliminate duplicates Z: 7 3.320 1.733 0.031 0.330 0.833 0.333 CA 1.097 5 residues pruned to eliminate duplicates Z: 11 4.895 1.625 0.438 0.373 0.700 0.400 CA 1.085 11 residues pruned to eliminate duplicates Z: 21 18.516 1.684 0.520 0.840 0.950 0.600 CB 1.271 21 residues pruned to eliminate duplicates Z: 8 12.807 1.823 0.484 0.779 0.857 0.714 C 1.632 Z: 16 12.162 1.737 0.067 0.857 0.933 0.933 CB 1.338 16 residues pruned to eliminate duplicates Z: 55 22.374 1.933 0.460 0.523 0.889 0.685 CB 1.187 55 residues pruned to eliminate duplicates Z: 38 19.556 2.062 0.526 0.384 0.838 0.432 CB 1.379 38 residues pruned to eliminate duplicates Z: 29 42.601 2.152 0.895 0.923 0.964 0.821 CA 1.439 29 residues pruned to eliminate duplicates Z: 7 6.180 1.950 0.087 0.686 0.667 0.500 CB 1.506 12 residues pruned to eliminate duplicates Z: 9 17.156 1.899 0.634 0.864 1.000 0.750 CA 1.433 11 residues pruned to eliminate duplicates Z: 12 11.148 1.789 0.211 0.886 0.909 0.545 CB 1.231 12 residues pruned to eliminate duplicates Z: 13 16.076 1.749 0.408 0.916 1.000 0.750 CA 1.330 13 residues pruned to eliminate duplicates Z: 20 18.757 1.765 0.932 0.877 0.895 0.579 CB 1.024 20 residues pruned to eliminate duplicates Z: 20 14.337 1.973 0.628 0.444 0.842 0.526 CB 1.289 20 residues pruned to eliminate duplicates Z: 43 26.403 2.092 0.613 0.486 0.857 0.548 CB 1.428 43 residues pruned to eliminate duplicates Z: 12 9.959 1.577 0.478 0.880 1.000 0.636 CB 0.934 12 residues pruned to eliminate duplicates Z: 10 9.253 1.773 0.489 0.513 1.000 0.667 CB 1.153 10 residues pruned to eliminate duplicates Z: 15 10.596 1.838 0.539 0.417 0.786 0.643 CB 1.389 15 residues pruned to eliminate duplicates Z: 6 3.747 1.453 -0.108 0.836 1.000 1.000 CB 0.968 7 residues pruned to eliminate duplicates Z: 11 15.543 1.816 1.120 0.863 0.700 0.300 CA 1.339 11 residues pruned to eliminate duplicates Z: 13 16.325 1.897 0.297 0.918 1.000 1.000 CB 1.351 13 residues pruned to eliminate duplicates Z: 16 14.710 1.988 0.540 0.549 0.933 0.467 CB 1.267 16 residues pruned to eliminate duplicates Z: 9 11.627 1.805 0.428 0.713 0.875 0.625 C 1.503 9 residues pruned to eliminate duplicates Z: 14 19.063 2.106 0.733 0.545 0.923 0.462 CB 1.501 15 residues pruned to eliminate duplicates Z: 17 5.838 1.763 0.057 0.403 0.625 0.438 CA 1.388 17 residues pruned to eliminate duplicates Z: 15 13.906 1.797 0.430 0.841 0.857 0.786 CA 1.258 15 residues pruned to eliminate duplicates Z: 13 6.865 1.755 0.276 0.438 0.833 0.667 CB 1.132 13 residues pruned to eliminate duplicates Z: 11 15.083 2.025 0.721 0.480 0.900 0.700 CB 1.552 8 residues pruned to eliminate duplicates Z: 8 9.979 1.774 0.445 0.772 1.000 0.429 CB 1.156 8 residues pruned to eliminate duplicates Z: 14 11.750 1.606 0.388 0.693 0.923 0.615 CB 1.327 14 residues pruned to eliminate duplicates Z: 28 9.997 1.798 0.283 0.439 0.815 0.481 CB 1.090 28 residues pruned to eliminate duplicates Z: 20 17.061 1.766 0.411 0.854 1.000 0.737 CB 1.160 20 residues pruned to eliminate duplicates Z: 54 28.048 1.945 0.468 0.602 0.943 0.698 CB 1.298 54 residues pruned to eliminate duplicates Z: 11 5.794 1.463 0.428 0.409 1.000 0.600 CB 0.964 9 residues pruned to eliminate duplicates Z: 22 16.530 1.766 0.376 0.879 1.000 0.905 CB 1.076 22 residues pruned to eliminate duplicates Z: 6 9.187 1.799 0.691 0.788 1.000 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 26 14.841 1.925 0.509 0.574 0.800 0.520 CB 1.190 26 residues pruned to eliminate duplicates Z: 41 33.847 2.052 0.703 0.846 0.825 0.400 CB 1.379 41 residues pruned to eliminate duplicates Z: 15 9.583 1.796 0.408 0.423 0.857 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 17 12.892 1.870 0.671 0.477 0.875 0.688 CB 1.207 17 residues pruned to eliminate duplicates Z: 38 30.051 1.940 0.734 0.702 0.919 0.459 CB 1.329 38 residues pruned to eliminate duplicates Z: 8 4.509 1.332 0.910 0.420 0.714 0.286 N 1.019 Z: 6 2.976 1.512 0.444 0.600 1.000 1.000 CB 0.554 Z: 14 11.831 1.675 0.546 0.799 0.923 0.615 CB 1.057 14 residues pruned to eliminate duplicates Z: 9 12.074 1.705 0.516 0.824 0.875 0.875 CA 1.425 9 residues pruned to eliminate duplicates Z: 9 21.566 2.022 1.053 0.868 0.875 0.500 CA 1.535 Z: 14 22.839 1.948 0.558 0.860 1.000 0.923 CB 1.535 14 residues pruned to eliminate duplicates Z: 7 10.649 1.791 0.558 0.709 0.833 0.500 O 1.547 7 residues pruned to eliminate duplicates Z: 14 11.533 1.943 0.624 0.459 0.769 0.615 CB 1.374 14 residues pruned to eliminate duplicates Z: 16 28.604 2.148 0.558 0.908 0.933 0.800 CA 1.680 16 residues pruned to eliminate duplicates Z: 28 24.764 1.941 0.455 0.822 0.815 0.444 CA 1.567 28 residues pruned to eliminate duplicates Z: 57 51.319 2.222 0.520 0.806 0.964 0.857 CB 1.612 57 residues pruned to eliminate duplicates Z: 14 9.188 1.668 0.484 0.881 0.846 0.769 CB 0.881 14 residues pruned to eliminate duplicates Z: 21 9.750 1.725 0.316 0.581 0.750 0.450 CB 1.185 21 residues pruned to eliminate duplicates Z: 6 6.473 1.774 0.082 0.795 1.000 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 6 3.796 1.446 0.339 0.297 1.000 0.600 N 1.101 Z: 17 9.763 1.708 0.543 0.537 0.875 0.500 CB 1.021 17 residues pruned to eliminate duplicates Z: 9 5.140 1.644 0.245 0.303 0.875 0.625 O 1.263 Z: 19 12.115 2.089 0.448 0.411 0.833 0.500 CB 1.243 22 residues pruned to eliminate duplicates Z: 17 15.125 1.778 0.974 0.924 0.938 0.312 CB 0.807 17 residues pruned to eliminate duplicates Z: 19 18.764 1.828 0.357 0.897 0.944 0.944 CB 1.352 19 residues pruned to eliminate duplicates Z: 15 18.835 2.065 0.401 0.843 1.000 0.929 CB 1.295 15 residues pruned to eliminate duplicates Z: 6 4.672 1.340 0.406 0.769 1.000 0.600 CB 0.874 6 residues pruned to eliminate duplicates Z: 17 13.541 1.685 0.199 0.936 0.938 0.812 CB 1.245 17 residues pruned to eliminate duplicates Z: 15 17.125 2.045 0.568 0.827 0.929 0.714 CB 1.158 15 residues pruned to eliminate duplicates Z: 9 12.802 1.820 0.444 0.847 0.875 0.625 CB 1.460 9 residues pruned to eliminate duplicates Z: 20 21.387 1.823 0.917 0.817 0.842 0.526 CB 1.265 20 residues pruned to eliminate duplicates Z: 6 6.816 1.713 0.177 0.793 1.000 0.800 CB 1.169 6 residues pruned to eliminate duplicates Z: 12 10.954 1.712 0.269 0.812 0.909 0.727 CA 1.275 11 residues pruned to eliminate duplicates Z: 12 7.709 1.739 0.948 0.294 0.818 0.364 CB 1.056 6 residues pruned to eliminate duplicates Z: 7 3.106 1.637 0.182 0.529 1.000 0.667 CB 0.637 Z: 6 7.947 1.898 0.299 0.808 1.000 1.000 CB 1.102 6 residues pruned to eliminate duplicates Z: 14 19.892 1.826 0.704 0.888 1.000 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 15 12.494 1.882 -0.048 0.803 0.929 0.929 CA 1.540 15 residues pruned to eliminate duplicates Z: 6 6.146 1.838 0.567 0.714 0.600 0.400 CB 1.311 6 residues pruned to eliminate duplicates Z: 57 39.194 2.176 0.658 0.505 0.911 0.661 CB 1.587 57 residues pruned to eliminate duplicates Z: 11 4.263 1.754 0.165 0.428 0.800 0.600 CB 0.889 11 residues pruned to eliminate duplicates Z: 13 30.116 2.127 1.152 0.910 0.917 0.417 CA 1.470 13 residues pruned to eliminate duplicates Z: 10 3.617 1.521 0.529 0.323 0.556 0.444 CB 1.133 10 residues pruned to eliminate duplicates Z: 35 22.227 2.031 0.633 0.430 0.853 0.500 CB 1.449 24 residues pruned to eliminate duplicates 6 1.189 1.433 0.584 0.348 0.400 0.400 C 0.691 ? Z: 20 8.966 1.652 0.558 0.359 0.842 0.474 CB 1.105 20 residues pruned to eliminate duplicates Z: 39 49.265 2.223 0.859 0.704 0.947 0.763 CA 1.696 39 residues pruned to eliminate duplicates Z: 9 8.256 1.543 0.146 0.880 1.000 0.750 CB 1.197 9 residues pruned to eliminate duplicates Z: 6 6.124 1.616 0.850 0.613 0.800 0.800 N 1.029 Z: 34 17.318 1.968 0.306 0.524 0.879 0.667 CB 1.304 35 residues pruned to eliminate duplicates Z: 13 25.845 1.964 0.688 0.925 1.000 0.750 CA 1.579 13 residues pruned to eliminate duplicates Z: 9 10.516 1.838 0.564 0.735 0.750 0.375 CB 1.396 9 residues pruned to eliminate duplicates Z: 7 11.149 1.906 0.494 0.778 1.000 0.833 CB 1.250 7 residues pruned to eliminate duplicates Z: 15 18.442 1.809 0.442 0.915 1.000 1.000 CA 1.335 15 residues pruned to eliminate duplicates Z: 29 25.943 1.971 0.541 0.660 0.964 0.536 CB 1.444 29 residues pruned to eliminate duplicates Z: 13 26.613 1.980 0.944 0.885 1.000 0.833 CA 1.441 13 residues pruned to eliminate duplicates Z: 14 33.229 2.139 0.935 0.870 1.000 0.462 CB 1.626 14 residues pruned to eliminate duplicates Z: 6 7.921 2.031 0.153 0.787 1.000 1.000 CB 1.175 5 residues pruned to eliminate duplicates Z: 11 13.696 1.975 0.596 0.814 0.900 0.300 CB 1.162 11 residues pruned to eliminate duplicates Z: 9 20.730 1.933 0.649 0.875 1.000 0.750 O 1.672 9 residues pruned to eliminate duplicates Z: 16 12.256 1.719 0.608 0.845 0.867 0.800 CB 0.982 16 residues pruned to eliminate duplicates Z: 8 10.893 1.644 0.580 0.701 1.000 0.571 CB 1.319 8 residues pruned to eliminate duplicates Z: 6 2.174 1.032 0.542 0.293 1.000 0.400 CB 0.770 Z: 14 17.278 1.845 0.893 0.703 0.923 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 6 8.435 1.684 0.511 0.830 1.000 0.600 CA 1.115 6 residues pruned to eliminate duplicates Z: 21 10.576 1.826 0.350 0.522 0.750 0.650 CB 1.252 21 residues pruned to eliminate duplicates Z: 8 4.104 1.532 0.238 0.796 0.714 0.571 CB 0.884 8 residues pruned to eliminate duplicates Z: 15 23.906 1.975 0.522 0.851 1.000 0.643 CB 1.573 15 residues pruned to eliminate duplicates 6 1.388 1.501 -0.308 0.441 0.800 0.800 CB 0.794 ? Z: 11 2.814 1.416 -0.034 0.363 0.800 0.500 O 0.942 6 residues pruned to eliminate duplicates Z: 7 4.085 1.503 0.237 0.757 0.667 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 6 6.386 1.507 0.509 0.764 0.800 0.600 CB 1.241 6 residues pruned to eliminate duplicates Z: 10 8.821 1.772 0.124 0.871 0.889 0.889 CB 1.211 10 residues pruned to eliminate duplicates Z: 16 18.087 1.852 0.599 0.656 1.000 0.667 CB 1.365 16 residues pruned to eliminate duplicates Z: 20 23.762 2.070 0.736 0.714 0.895 0.684 CB 1.396 21 residues pruned to eliminate duplicates Z: 28 22.992 1.965 0.415 0.686 0.926 0.704 CB 1.449 28 residues pruned to eliminate duplicates Z: 11 5.099 1.666 0.482 0.385 0.900 0.600 CB 0.820 7 1.608 1.609 0.107 0.598 0.833 0.833 CB 0.403 ? Z: 34 37.746 2.182 0.892 0.750 0.879 0.697 CA 1.449 34 residues pruned to eliminate duplicates Z: 35 19.211 1.890 0.540 0.508 0.882 0.588 CB 1.273 35 residues pruned to eliminate duplicates Z: 41 26.941 2.217 0.498 0.478 0.875 0.425 CB 1.499 41 residues pruned to eliminate duplicates Z: 17 16.272 1.724 0.598 0.711 0.938 0.312 CB 1.300 17 residues pruned to eliminate duplicates Z: 21 17.785 1.712 0.797 0.856 0.950 0.600 CB 1.004 20 residues pruned to eliminate duplicates Z: 6 5.929 1.966 0.602 0.658 0.600 0.200 CB 1.212 6 residues pruned to eliminate duplicates Z: 16 15.660 1.625 0.337 0.858 1.000 0.800 CA 1.371 16 residues pruned to eliminate duplicates 6 1.703 1.172 0.359 0.444 0.800 0.400 CB 0.633 ? Z: 8 3.397 1.486 0.187 0.369 1.000 0.714 CB 0.838 8 residues pruned to eliminate duplicates Z: 32 17.781 1.972 0.400 0.461 0.935 0.645 CB 1.286 32 residues pruned to eliminate duplicates Z: 21 24.871 1.947 0.407 0.869 0.950 0.750 CB 1.561 21 residues pruned to eliminate duplicates Z: 13 16.370 1.695 0.817 0.805 0.833 0.583 CA 1.411 13 residues pruned to eliminate duplicates Z: 11 19.615 1.961 0.685 0.713 0.900 0.800 CA 1.719 12 residues pruned to eliminate duplicates Z: 12 10.649 1.658 0.234 0.861 1.000 0.727 CB 1.153 12 residues pruned to eliminate duplicates Z: 23 38.685 2.076 0.889 0.896 1.000 0.455 CB 1.507 23 residues pruned to eliminate duplicates Z: 8 5.623 1.691 0.565 0.495 0.714 0.571 CA 1.129 8 residues pruned to eliminate duplicates Z: 19 21.648 1.977 0.590 0.724 0.944 0.278 CB 1.404 19 residues pruned to eliminate duplicates Z: 20 29.539 1.982 0.807 0.935 0.947 0.789 CB 1.392 20 residues pruned to eliminate duplicates Z: 11 8.702 1.795 0.470 0.571 0.800 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 22 13.522 1.573 0.474 0.819 0.905 0.524 CB 1.066 22 residues pruned to eliminate duplicates Z: 51 35.249 1.996 0.538 0.739 0.900 0.640 CB 1.456 51 residues pruned to eliminate duplicates Z: 8 3.608 1.381 0.546 0.346 0.714 0.286 C 1.057 Z: 12 10.024 1.864 0.368 0.840 0.909 0.727 CB 0.973 12 residues pruned to eliminate duplicates Z: 17 8.257 1.696 0.315 0.387 0.812 0.562 CB 1.285 17 residues pruned to eliminate duplicates Z: 6 2.280 1.358 0.137 0.294 0.800 0.600 CB 1.040 Z: 37 20.293 1.870 0.718 0.559 0.806 0.389 CB 1.234 37 residues pruned to eliminate duplicates Z: 14 22.047 2.018 0.643 0.664 1.000 0.615 CB 1.586 11 residues pruned to eliminate duplicates Z: 26 17.154 1.981 0.588 0.448 0.840 0.640 CB 1.369 26 residues pruned to eliminate duplicates Z: 14 27.677 2.022 0.593 0.910 1.000 0.692 CB 1.691 14 residues pruned to eliminate duplicates Z: 14 12.325 1.883 0.472 0.553 0.846 0.615 CA 1.383 14 residues pruned to eliminate duplicates Z: 15 24.554 2.112 0.650 0.909 0.929 0.500 CB 1.440 15 residues pruned to eliminate duplicates Z: 10 11.296 1.865 0.676 0.901 0.778 0.556 CB 1.105 10 residues pruned to eliminate duplicates Z: 11 5.031 1.732 0.432 0.392 0.800 0.600 CB 0.899 Z: 16 20.699 1.883 0.581 0.884 1.000 0.800 CB 1.296 16 residues pruned to eliminate duplicates Z: 6 15.598 2.127 0.683 0.842 1.000 1.000 CA 1.453 6 residues pruned to eliminate duplicates Z: 24 33.526 2.154 0.882 0.785 0.913 0.913 CB 1.470 24 residues pruned to eliminate duplicates Z: 16 8.146 1.774 0.543 0.420 0.800 0.533 CB 1.043 14 residues pruned to eliminate duplicates Z: 25 29.590 1.885 0.912 0.813 0.917 0.292 CB 1.393 25 residues pruned to eliminate duplicates Z: 16 8.169 1.632 0.334 0.484 0.867 0.600 CB 1.136 16 residues pruned to eliminate duplicates 6 1.424 1.562 0.325 0.100 0.400 0.200 O 1.282 ? Z: 16 28.102 2.202 0.738 0.849 1.000 0.600 CB 1.406 16 residues pruned to eliminate duplicates Z: 7 7.504 1.665 0.418 0.747 1.000 0.333 CB 1.040 Z: 16 11.006 1.846 0.697 0.482 0.667 0.467 CB 1.386 16 residues pruned to eliminate duplicates Z: 41 24.435 2.119 0.557 0.494 0.875 0.525 CB 1.346 51 residues pruned to eliminate duplicates Z: 21 13.185 1.953 0.364 0.557 0.750 0.500 CB 1.397 21 residues pruned to eliminate duplicates Z: 15 12.713 1.752 0.406 0.828 0.929 0.714 CB 1.119 15 residues pruned to eliminate duplicates Z: 11 7.396 1.683 0.469 0.453 0.900 0.700 CB 1.102 11 residues pruned to eliminate duplicates Z: 15 10.571 1.849 0.602 0.418 0.929 0.571 CB 1.118 15 residues pruned to eliminate duplicates Z: 13 8.228 1.586 0.322 0.699 0.917 0.583 CB 1.031 13 residues pruned to eliminate duplicates Z: 8 3.754 1.389 0.398 0.343 0.714 0.571 O 1.213 8 residues pruned to eliminate duplicates Z: 12 6.314 1.667 0.391 0.459 0.818 0.455 CB 1.046 12 residues pruned to eliminate duplicates Z: 43 25.781 2.115 0.695 0.492 0.881 0.643 CB 1.270 43 residues pruned to eliminate duplicates Z: 25 21.906 1.928 0.450 0.687 0.917 0.667 CB 1.470 25 residues pruned to eliminate duplicates Z: 12 6.747 1.712 0.378 0.479 0.818 0.273 CB 1.077 12 residues pruned to eliminate duplicates Z: 63 41.323 2.046 0.671 0.672 0.919 0.661 CB 1.424 83 residues pruned to eliminate duplicates Z: 12 12.349 1.776 0.557 0.869 0.818 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 16 11.742 1.678 0.304 0.896 1.000 0.733 CB 0.992 16 residues pruned to eliminate duplicates Z: 14 14.284 1.897 0.172 0.862 0.923 0.846 CA 1.418 14 residues pruned to eliminate duplicates Z: 9 8.803 1.720 0.532 0.462 1.000 0.625 CB 1.228 9 residues pruned to eliminate duplicates Z: 11 7.229 1.793 0.469 0.262 0.800 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 15 16.800 1.706 0.318 0.871 1.000 0.714 CA 1.457 16 residues pruned to eliminate duplicates 6 1.495 1.465 -0.258 0.197 0.800 0.400 CB 1.103 ? 8 1.153 1.551 0.140 0.342 0.714 0.714 CB 0.409 ? Z: 8 11.966 2.021 0.301 0.868 1.000 0.857 CA 1.257 8 residues pruned to eliminate duplicates Z: 23 36.618 2.056 1.292 0.879 0.864 0.500 CB 1.391 23 residues pruned to eliminate duplicates Z: 12 25.990 2.303 0.769 0.867 0.909 0.545 CA 1.547 12 residues pruned to eliminate duplicates Z: 17 15.965 1.635 0.401 0.853 1.000 0.688 CB 1.289 17 residues pruned to eliminate duplicates Z: 22 23.248 2.246 0.783 0.509 0.762 0.571 CB 1.648 22 residues pruned to eliminate duplicates Z: 8 4.230 1.400 0.547 0.332 0.857 0.571 CB 1.035 8 residues pruned to eliminate duplicates Z: 13 15.048 1.809 0.564 0.698 0.833 0.667 N 1.538 13 residues pruned to eliminate duplicates Z: 10 6.022 1.731 0.074 0.780 0.889 0.444 CB 0.948 10 residues pruned to eliminate duplicates Z: 21 18.083 1.903 0.491 0.669 0.900 0.500 CB 1.355 21 residues pruned to eliminate duplicates Z: 17 7.336 1.723 0.404 0.398 0.812 0.438 CB 1.039 17 residues pruned to eliminate duplicates Z: 15 23.941 2.099 0.318 0.931 1.000 0.929 CA 1.616 15 residues pruned to eliminate duplicates Z: 10 3.908 1.354 0.658 0.230 0.889 0.333 C 0.894 Z: 10 3.436 1.519 0.427 0.395 0.667 0.333 CB 0.885 Z: 9 4.203 1.530 0.239 0.351 0.750 0.500 CB 1.229 Z: 17 13.311 1.806 0.481 0.888 1.000 0.562 CB 0.896 17 residues pruned to eliminate duplicates Z: 16 22.255 1.896 0.780 0.890 0.933 0.600 CB 1.312 16 residues pruned to eliminate duplicates Z: 10 4.786 1.869 0.085 0.496 1.000 0.667 CB 0.790 10 residues pruned to eliminate duplicates Z: 15 18.602 1.712 0.447 0.917 1.000 0.643 CB 1.416 15 residues pruned to eliminate duplicates Z: 19 6.453 1.748 0.483 0.359 0.722 0.389 CB 0.946 19 residues pruned to eliminate duplicates Z: 7 11.473 1.955 0.392 0.730 1.000 0.667 CB 1.399 7 residues pruned to eliminate duplicates Z: 8 3.157 1.520 0.557 0.359 0.714 0.286 N 0.822 Z: 25 24.175 1.955 0.582 0.731 0.917 0.583 CB 1.414 25 residues pruned to eliminate duplicates Z: 6 4.734 1.271 0.759 0.747 0.800 0.600 CB 0.949 Z: 11 14.609 1.822 0.394 0.893 1.000 0.600 CA 1.306 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 5.220 1.571 -0.004 0.372 0.909 0.455 CB 1.268 12 residues pruned to eliminate duplicates Z: 9 5.116 1.640 0.151 0.351 0.875 0.250 CB 1.287 9 residues pruned to eliminate duplicates Z: 9 5.139 1.654 0.078 0.353 0.875 0.625 CB 1.367 10 residues pruned to eliminate duplicates Z: 7 3.892 1.348 0.427 0.565 0.833 0.667 CA 0.931 7 residues pruned to eliminate duplicates Z: 10 8.174 1.794 0.383 0.422 1.000 0.444 CB 1.192 12 residues pruned to eliminate duplicates Z: 13 8.854 1.653 0.357 0.782 0.917 0.417 CB 0.969 13 residues pruned to eliminate duplicates Z: 6 6.928 1.720 0.715 0.790 0.800 0.200 CB 1.018 6 residues pruned to eliminate duplicates Z: 7 5.255 1.594 0.334 0.609 0.833 0.667 CB 1.092 7 residues pruned to eliminate duplicates Z: 14 11.231 1.694 0.409 0.674 0.923 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 12 12.897 1.763 0.362 0.783 1.000 0.727 CB 1.263 12 residues pruned to eliminate duplicates Z: 13 9.856 1.688 0.442 0.569 0.917 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 14 10.625 1.683 0.334 0.676 0.923 0.692 CB 1.209 14 residues pruned to eliminate duplicates Z: 12 13.281 1.786 0.301 0.860 1.000 0.636 CB 1.267 12 residues pruned to eliminate duplicates Z: 13 8.460 1.683 0.591 0.538 0.750 0.667 CB 1.172 13 residues pruned to eliminate duplicates Z: 13 10.145 1.689 0.343 0.633 0.917 0.750 CB 1.244 13 residues pruned to eliminate duplicates Z: 15 10.768 1.699 0.414 0.698 0.857 0.643 CB 1.167 15 residues pruned to eliminate duplicates Z: 36 24.106 1.927 0.414 0.617 0.914 0.600 CA 1.464 34 residues pruned to eliminate duplicates Z: 12 16.205 1.780 0.535 0.817 0.909 0.727 CB 1.494 12 residues pruned to eliminate duplicates Z: 34 23.582 1.933 0.410 0.596 0.939 0.576 CA 1.463 34 residues pruned to eliminate duplicates Z: 24 17.287 1.930 0.286 0.613 0.870 0.652 CB 1.501 24 residues pruned to eliminate duplicates Z: 14 17.924 1.969 0.332 0.771 1.000 0.692 CB 1.491 14 residues pruned to eliminate duplicates Z: 22 16.284 1.895 0.311 0.588 0.905 0.571 CB 1.454 22 residues pruned to eliminate duplicates Z: 23 17.091 1.911 0.512 0.603 0.864 0.636 CB 1.323 23 residues pruned to eliminate duplicates Z: 20 18.854 1.916 0.408 0.655 0.947 0.684 CB 1.466 20 residues pruned to eliminate duplicates Z: 20 21.232 1.941 0.402 0.680 1.000 0.684 CB 1.517 20 residues pruned to eliminate duplicates Z: 25 21.072 1.992 0.352 0.647 0.917 0.625 CB 1.520 25 residues pruned to eliminate duplicates Z: 24 18.387 1.957 0.358 0.589 0.870 0.609 CB 1.523 24 residues pruned to eliminate duplicates Z: 22 17.809 1.909 0.275 0.624 1.000 0.476 CB 1.420 22 residues pruned to eliminate duplicates Z: 38 28.288 1.954 0.496 0.626 0.973 0.622 CB 1.452 40 residues pruned to eliminate duplicates Z: 7 6.245 1.608 0.395 0.560 0.833 0.667 CB 1.287 7 residues pruned to eliminate duplicates Z: 24 22.998 1.926 0.651 0.665 0.870 0.565 CA 1.489 24 residues pruned to eliminate duplicates Z: 36 23.654 1.916 0.466 0.575 0.857 0.543 CA 1.545 36 residues pruned to eliminate duplicates Z: 6 4.110 1.743 0.607 0.262 0.800 0.600 CA 1.077 6 residues pruned to eliminate duplicates Z: 36 23.953 1.960 0.369 0.633 0.886 0.629 CA 1.503 36 residues pruned to eliminate duplicates Z: 27 21.773 1.916 0.441 0.651 0.885 0.731 CA 1.520 27 residues pruned to eliminate duplicates Z: 24 20.193 2.003 0.402 0.708 0.870 0.696 CB 1.427 24 residues pruned to eliminate duplicates Z: 26 18.664 1.949 0.284 0.610 0.880 0.560 CA 1.527 26 residues pruned to eliminate duplicates Z: 37 20.251 1.901 0.384 0.547 0.833 0.528 CB 1.471 37 residues pruned to eliminate duplicates Z: 16 11.026 1.837 0.528 0.410 0.800 0.533 CB 1.392 16 residues pruned to eliminate duplicates Z: 34 23.396 1.952 0.376 0.605 0.909 0.576 CA 1.509 34 residues pruned to eliminate duplicates Z: 12 12.102 1.887 0.171 0.649 0.909 0.636 CA 1.581 12 residues pruned to eliminate duplicates Z: 8 9.119 1.966 0.372 0.628 0.857 0.714 CA 1.321 8 residues pruned to eliminate duplicates Z: 13 7.118 1.705 0.325 0.479 0.750 0.417 CB 1.240 13 residues pruned to eliminate duplicates Z: 8 10.076 2.066 0.357 0.616 0.857 0.714 CA 1.419 8 residues pruned to eliminate duplicates Z: 17 14.314 1.859 0.571 0.588 0.812 0.500 CA 1.385 17 residues pruned to eliminate duplicates Z: 12 15.955 1.928 0.941 0.699 0.818 0.545 CB 1.310 12 residues pruned to eliminate duplicates Z: 11 15.675 1.938 0.813 0.640 0.900 0.600 CB 1.375 11 residues pruned to eliminate duplicates Z: 16 16.321 1.776 0.767 0.687 0.867 0.467 CB 1.305 16 residues pruned to eliminate duplicates Z: 12 4.771 1.819 0.474 0.220 0.727 0.273 CB 1.025 12 residues pruned to eliminate duplicates Z: 13 6.642 1.915 0.552 0.451 0.833 0.583 CB 0.815 12 residues pruned to eliminate duplicates Z: 6 5.585 1.445 0.863 0.341 1.000 1.000 O 1.102 6 residues pruned to eliminate duplicates Z: 9 7.199 1.974 0.457 0.455 1.000 0.500 CB 0.926 9 residues pruned to eliminate duplicates Z: 12 7.560 1.924 0.614 0.395 0.909 0.455 CB 0.903 12 residues pruned to eliminate duplicates Z: 8 6.344 1.956 0.368 0.472 1.000 0.571 CB 0.921 8 residues pruned to eliminate duplicates Z: 14 9.674 1.970 0.752 0.428 0.846 0.615 CB 0.990 14 residues pruned to eliminate duplicates Z: 8 4.275 1.677 0.519 0.319 0.714 0.429 CB 1.084 8 residues pruned to eliminate duplicates Z: 21 15.486 1.805 0.592 0.466 0.900 0.450 CB 1.386 21 residues pruned to eliminate duplicates Z: 17 9.318 1.790 0.584 0.467 1.000 0.625 CB 0.850 16 residues pruned to eliminate duplicates Z: 14 17.566 1.730 0.603 0.927 1.000 0.769 CB 1.231 14 residues pruned to eliminate duplicates Z: 13 16.093 1.743 0.428 0.877 1.000 0.833 CA 1.356 13 residues pruned to eliminate duplicates Z: 15 8.420 1.653 0.369 0.477 0.857 0.500 CA 1.187 15 residues pruned to eliminate duplicates Z: 17 13.522 1.698 0.281 0.708 1.000 0.750 CB 1.287 17 residues pruned to eliminate duplicates Z: 11 7.881 1.836 0.084 0.489 0.900 0.600 CB 1.406 11 residues pruned to eliminate duplicates Z: 16 15.705 1.772 0.382 0.779 0.933 0.733 CB 1.387 16 residues pruned to eliminate duplicates Z: 15 15.017 1.634 0.487 0.822 1.000 0.500 CB 1.250 15 residues pruned to eliminate duplicates Z: 17 12.074 1.709 0.168 0.734 0.938 0.625 CB 1.307 17 residues pruned to eliminate duplicates Z: 16 13.271 1.760 0.200 0.788 1.000 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 15 15.246 1.741 0.283 0.897 0.929 0.714 CB 1.406 14 residues pruned to eliminate duplicates Z: 14 15.129 1.691 0.351 0.910 1.000 0.846 CB 1.303 14 residues pruned to eliminate duplicates Z: 15 13.683 1.709 0.204 0.912 1.000 0.857 CB 1.259 15 residues pruned to eliminate duplicates Z: 17 13.496 1.705 0.346 0.730 0.938 0.625 CB 1.275 17 residues pruned to eliminate duplicates Z: 15 23.323 2.012 0.617 0.765 0.929 0.571 CB 1.630 20 residues pruned to eliminate duplicates Z: 17 23.256 1.996 0.557 0.789 0.938 0.625 CB 1.547 17 residues pruned to eliminate duplicates Z: 22 22.426 1.889 0.481 0.671 1.000 0.524 CB 1.493 17 residues pruned to eliminate duplicates Z: 17 20.851 1.921 0.569 0.887 0.875 0.812 CB 1.426 17 residues pruned to eliminate duplicates Z: 24 19.115 1.836 0.497 0.677 0.870 0.522 CB 1.417 24 residues pruned to eliminate duplicates Z: 18 23.516 1.990 0.470 0.794 0.941 0.706 CB 1.602 18 residues pruned to eliminate duplicates Z: 22 22.681 1.963 0.401 0.692 0.952 0.571 CA 1.585 23 residues pruned to eliminate duplicates Z: 17 27.913 1.945 0.605 0.916 1.000 0.812 CA 1.579 17 residues pruned to eliminate duplicates Z: 21 22.361 1.948 0.607 0.718 0.900 0.400 CB 1.457 21 residues pruned to eliminate duplicates Z: 21 23.211 1.971 0.492 0.720 0.950 0.650 CB 1.523 21 residues pruned to eliminate duplicates Z: 25 18.259 1.882 0.532 0.615 0.875 0.542 CB 1.326 25 residues pruned to eliminate duplicates Z: 23 19.268 1.910 0.370 0.682 0.909 0.545 CB 1.461 23 residues pruned to eliminate duplicates Z: 21 23.089 1.919 0.514 0.714 0.900 0.500 CB 1.627 21 residues pruned to eliminate duplicates Z: 17 30.883 1.964 0.744 0.905 1.000 0.625 CB 1.605 21 residues pruned to eliminate duplicates Z: 16 27.053 1.983 0.520 0.900 1.000 0.667 CA 1.655 16 residues pruned to eliminate duplicates Z: 23 21.830 1.939 0.348 0.702 1.000 0.591 CB 1.482 23 residues pruned to eliminate duplicates Z: 21 19.509 1.987 0.307 0.702 0.950 0.750 CB 1.471 21 residues pruned to eliminate duplicates Z: 22 19.718 1.950 0.372 0.686 0.905 0.667 CB 1.500 22 residues pruned to eliminate duplicates Z: 21 20.207 1.987 0.397 0.693 0.850 0.600 CB 1.605 21 residues pruned to eliminate duplicates Z: 22 20.252 1.959 0.384 0.660 0.905 0.619 CB 1.554 22 residues pruned to eliminate duplicates Z: 14 8.061 1.566 0.469 0.576 0.846 0.385 CB 1.068 14 residues pruned to eliminate duplicates Z: 9 11.773 1.746 0.558 0.756 0.875 0.625 CB 1.392 9 residues pruned to eliminate duplicates Z: 10 10.032 1.628 0.661 0.614 0.889 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 9 9.904 1.616 0.618 0.721 0.875 0.750 N 1.253 9 residues pruned to eliminate duplicates Z: 9 9.357 1.662 0.554 0.763 0.875 0.750 N 1.159 9 residues pruned to eliminate duplicates Z: 14 7.422 1.581 0.608 0.468 0.769 0.538 CB 1.088 14 residues pruned to eliminate duplicates Z: 10 7.623 1.620 0.488 0.659 0.778 0.667 CB 1.169 10 residues pruned to eliminate duplicates Z: 15 16.187 1.854 0.617 0.657 0.929 0.571 CB 1.343 15 residues pruned to eliminate duplicates Z: 15 23.748 1.897 0.876 0.744 1.000 0.571 CB 1.434 14 residues pruned to eliminate duplicates Z: 11 23.481 2.174 0.666 0.905 0.900 0.800 CB 1.621 13 residues pruned to eliminate duplicates Z: 11 21.595 2.167 0.554 0.898 0.900 0.800 CB 1.612 11 residues pruned to eliminate duplicates Z: 15 16.587 1.952 0.503 0.713 0.929 0.643 CB 1.341 14 residues pruned to eliminate duplicates Z: 10 24.237 2.169 0.612 0.920 1.000 0.778 CB 1.628 10 residues pruned to eliminate duplicates Z: 18 15.428 1.753 0.789 0.599 0.882 0.471 CB 1.231 18 residues pruned to eliminate duplicates Z: 14 17.403 1.948 0.634 0.750 0.846 0.462 CB 1.434 14 residues pruned to eliminate duplicates Z: 15 18.454 1.952 0.693 0.687 0.929 0.500 CB 1.354 15 residues pruned to eliminate duplicates Z: 13 19.457 1.992 0.792 0.826 0.833 0.500 CB 1.423 13 residues pruned to eliminate duplicates Z: 30 27.813 2.170 0.736 0.504 0.862 0.517 CB 1.584 30 residues pruned to eliminate duplicates Z: 32 27.477 2.143 0.607 0.514 0.903 0.581 CB 1.565 33 residues pruned to eliminate duplicates Z: 12 19.051 2.088 0.883 0.639 0.818 0.636 CB 1.568 12 residues pruned to eliminate duplicates Z: 31 26.934 2.198 0.649 0.501 0.900 0.633 CB 1.506 31 residues pruned to eliminate duplicates Z: 29 28.642 2.158 0.764 0.490 0.929 0.571 CB 1.547 29 residues pruned to eliminate duplicates Z: 27 28.435 2.159 0.806 0.581 0.885 0.654 CB 1.496 27 residues pruned to eliminate duplicates Z: 47 28.225 2.103 0.686 0.510 0.826 0.565 CB 1.407 54 residues pruned to eliminate duplicates Z: 9 29.213 2.134 1.117 0.886 1.000 0.875 CA 1.650 9 residues pruned to eliminate duplicates Z: 31 29.839 2.159 0.794 0.528 0.900 0.533 CB 1.520 31 residues pruned to eliminate duplicates Z: 9 24.934 2.114 0.877 0.862 1.000 0.750 CB 1.632 9 residues pruned to eliminate duplicates Z: 24 20.854 2.219 0.572 0.445 0.826 0.609 CB 1.596 24 residues pruned to eliminate duplicates Z: 27 17.360 2.114 0.522 0.367 0.846 0.538 CB 1.443 27 residues pruned to eliminate duplicates Z: 28 27.338 2.175 0.732 0.559 0.889 0.444 CB 1.484 28 residues pruned to eliminate duplicates Z: 20 21.416 2.279 0.513 0.500 0.895 0.526 CB 1.593 20 residues pruned to eliminate duplicates Z: 35 32.092 2.203 0.660 0.484 0.912 0.471 CB 1.677 35 residues pruned to eliminate duplicates Z: 20 13.910 1.845 0.587 0.363 0.895 0.632 CB 1.412 20 residues pruned to eliminate duplicates Z: 28 25.444 2.169 0.542 0.463 0.963 0.481 CB 1.580 28 residues pruned to eliminate duplicates Z: 39 22.543 1.997 0.573 0.475 0.895 0.474 CB 1.335 39 residues pruned to eliminate duplicates Z: 19 11.272 1.954 0.394 0.382 0.889 0.611 CB 1.244 19 residues pruned to eliminate duplicates Z: 21 12.278 1.936 0.340 0.376 0.850 0.500 CB 1.421 21 residues pruned to eliminate duplicates Z: 17 14.441 2.080 0.415 0.464 0.875 0.250 CB 1.454 17 residues pruned to eliminate duplicates Z: 27 16.906 1.941 0.563 0.463 0.769 0.423 CB 1.474 27 residues pruned to eliminate duplicates Z: 43 28.165 2.101 0.646 0.528 0.905 0.452 CB 1.351 44 residues pruned to eliminate duplicates Z: 17 15.759 1.890 0.416 0.688 0.875 0.375 CB 1.417 17 residues pruned to eliminate duplicates Z: 37 16.879 2.003 0.394 0.430 0.806 0.389 CB 1.346 37 residues pruned to eliminate duplicates Z: 36 30.143 2.169 0.599 0.559 0.886 0.514 CB 1.567 36 residues pruned to eliminate duplicates Z: 45 26.147 2.051 0.499 0.504 0.909 0.364 CB 1.405 45 residues pruned to eliminate duplicates Z: 33 20.104 2.056 0.544 0.469 0.781 0.562 CB 1.479 32 residues pruned to eliminate duplicates Z: 11 12.825 1.905 0.403 0.748 0.900 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 35 19.051 2.003 0.556 0.401 0.735 0.559 CB 1.583 35 residues pruned to eliminate duplicates Z: 41 26.641 2.072 0.564 0.530 0.875 0.500 CB 1.443 41 residues pruned to eliminate duplicates Z: 22 13.329 1.929 0.601 0.436 0.762 0.429 CB 1.320 20 residues pruned to eliminate duplicates Z: 10 14.198 1.993 0.388 0.673 0.889 0.444 O 1.640 10 residues pruned to eliminate duplicates Z: 34 23.830 2.050 0.677 0.426 0.909 0.515 CB 1.433 35 residues pruned to eliminate duplicates Z: 9 9.334 1.692 0.733 0.617 1.000 0.750 CB 1.008 9 residues pruned to eliminate duplicates Z: 22 14.139 1.951 0.570 0.477 0.810 0.571 CB 1.273 22 residues pruned to eliminate duplicates Z: 9 6.150 1.996 0.481 0.398 0.875 0.625 CB 0.936 9 residues pruned to eliminate duplicates Z: 16 9.203 1.946 0.646 0.415 0.867 0.667 CB 0.935 11 residues pruned to eliminate duplicates Z: 6 12.001 2.130 0.652 0.733 1.000 0.600 CA 1.237 6 residues pruned to eliminate duplicates Z: 33 22.041 2.051 0.651 0.487 0.844 0.625 CB 1.382 33 residues pruned to eliminate duplicates Z: 9 14.576 2.001 1.073 0.490 1.000 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 10 12.898 2.017 0.938 0.477 1.000 0.444 CB 1.126 10 residues pruned to eliminate duplicates Z: 29 25.720 2.015 0.502 0.595 0.964 0.714 CB 1.521 29 residues pruned to eliminate duplicates Z: 30 29.812 2.091 0.593 0.618 1.000 0.655 CB 1.487 29 residues pruned to eliminate duplicates 6 1.376 1.022 0.642 0.455 1.000 0.800 CA 0.384 ? Z: 17 18.802 1.913 0.386 0.755 1.000 0.875 CA 1.414 17 residues pruned to eliminate duplicates Z: 29 25.349 2.069 0.598 0.579 0.964 0.750 CB 1.393 29 residues pruned to eliminate duplicates Z: 29 25.131 2.094 0.512 0.597 0.893 0.643 CB 1.532 29 residues pruned to eliminate duplicates Z: 28 29.219 2.110 0.685 0.576 1.000 0.556 CB 1.470 28 residues pruned to eliminate duplicates Z: 29 25.956 2.079 0.558 0.635 0.929 0.643 CB 1.437 29 residues pruned to eliminate duplicates Z: 29 26.475 2.088 0.580 0.633 0.893 0.679 CB 1.499 29 residues pruned to eliminate duplicates Z: 29 23.755 2.104 0.475 0.591 0.929 0.679 CB 1.428 29 residues pruned to eliminate duplicates Z: 28 25.348 2.097 0.474 0.614 0.926 0.556 CB 1.530 28 residues pruned to eliminate duplicates Z: 28 25.653 2.097 0.584 0.606 0.926 0.667 CB 1.452 28 residues pruned to eliminate duplicates Z: 22 20.542 2.097 0.614 0.595 0.857 0.667 CB 1.412 22 residues pruned to eliminate duplicates Z: 29 29.091 2.077 0.705 0.576 1.000 0.571 CB 1.442 29 residues pruned to eliminate duplicates Z: 25 29.554 2.127 0.665 0.660 0.958 0.667 CB 1.532 25 residues pruned to eliminate duplicates Z: 28 29.151 2.094 0.699 0.586 0.963 0.593 CB 1.507 28 residues pruned to eliminate duplicates Z: 29 30.544 2.099 0.640 0.658 0.964 0.607 CB 1.503 30 residues pruned to eliminate duplicates Z: 7 3.685 1.478 0.696 0.443 0.833 0.667 CA 0.764 7 residues pruned to eliminate duplicates Z: 32 22.020 1.978 0.622 0.545 0.903 0.548 CB 1.306 32 residues pruned to eliminate duplicates Z: 27 27.387 2.111 0.616 0.633 0.962 0.538 CB 1.446 27 residues pruned to eliminate duplicates Z: 27 27.962 2.142 0.582 0.610 0.962 0.577 CB 1.516 27 residues pruned to eliminate duplicates Z: 29 24.946 2.074 0.504 0.586 0.929 0.500 CB 1.499 29 residues pruned to eliminate duplicates Z: 29 25.916 2.067 0.600 0.638 0.929 0.679 CB 1.401 29 residues pruned to eliminate duplicates Z: 28 25.904 2.069 0.593 0.617 0.926 0.593 CB 1.462 28 residues pruned to eliminate duplicates Z: 29 29.655 2.055 0.631 0.628 0.964 0.607 CB 1.537 29 residues pruned to eliminate duplicates Z: 28 27.306 2.077 0.647 0.635 0.963 0.741 CB 1.405 28 residues pruned to eliminate duplicates Z: 31 24.734 1.971 0.537 0.624 0.933 0.567 CB 1.421 31 residues pruned to eliminate duplicates Z: 38 26.508 1.872 0.660 0.606 0.892 0.514 CB 1.422 38 residues pruned to eliminate duplicates Z: 17 23.192 1.758 0.856 0.772 0.938 0.562 CB 1.490 17 residues pruned to eliminate duplicates Z: 25 24.393 1.891 0.504 0.813 0.958 0.708 CB 1.392 25 residues pruned to eliminate duplicates Z: 25 19.510 1.798 0.643 0.671 0.875 0.667 CB 1.316 25 residues pruned to eliminate duplicates Z: 23 27.816 1.935 0.576 0.886 0.955 0.636 CB 1.470 23 residues pruned to eliminate duplicates Z: 37 34.546 1.939 0.672 0.753 0.944 0.500 CB 1.501 37 residues pruned to eliminate duplicates Z: 25 24.854 1.914 0.591 0.784 0.875 0.458 CB 1.483 25 residues pruned to eliminate duplicates Z: 28 23.462 1.849 0.557 0.697 0.889 0.519 CB 1.474 28 residues pruned to eliminate duplicates Z: 23 29.162 1.978 0.788 0.810 0.909 0.455 CB 1.476 23 residues pruned to eliminate duplicates Z: 24 29.299 1.942 0.573 0.842 0.957 0.739 CB 1.558 24 residues pruned to eliminate duplicates Z: 37 37.386 1.993 0.716 0.760 0.972 0.528 CB 1.487 37 residues pruned to eliminate duplicates Z: 55 37.736 1.985 0.523 0.738 0.944 0.537 CB 1.453 55 residues pruned to eliminate duplicates Z: 36 33.864 1.970 0.743 0.726 0.943 0.600 CB 1.443 36 residues pruned to eliminate duplicates Z: 39 36.058 1.925 0.829 0.728 0.921 0.500 CB 1.469 39 residues pruned to eliminate duplicates Z: 29 28.541 1.896 0.727 0.783 0.929 0.250 CB 1.383 29 residues pruned to eliminate duplicates Z: 38 31.121 1.991 0.708 0.720 0.919 0.595 CB 1.342 38 residues pruned to eliminate duplicates Z: 33 29.503 2.000 0.704 0.736 0.875 0.469 CB 1.414 33 residues pruned to eliminate duplicates Z: 57 35.134 1.961 0.574 0.714 0.893 0.464 CB 1.403 57 residues pruned to eliminate duplicates Z: 36 21.316 1.867 0.514 0.565 0.914 0.371 CB 1.309 36 residues pruned to eliminate duplicates Z: 37 35.303 1.981 0.788 0.744 0.917 0.444 CB 1.457 37 residues pruned to eliminate duplicates Z: 36 36.867 1.997 0.787 0.748 0.971 0.486 CB 1.440 36 residues pruned to eliminate duplicates Z: 29 23.374 1.901 0.681 0.594 0.929 0.357 CB 1.361 29 residues pruned to eliminate duplicates Z: 36 38.837 2.004 0.740 0.761 1.000 0.600 CB 1.493 36 residues pruned to eliminate duplicates Z: 36 33.049 2.015 0.733 0.748 0.914 0.543 CB 1.403 36 residues pruned to eliminate duplicates Z: 30 27.755 1.948 0.724 0.644 0.931 0.621 CB 1.440 30 residues pruned to eliminate duplicates Z: 38 32.260 1.944 0.715 0.707 0.946 0.568 CB 1.394 38 residues pruned to eliminate duplicates Z: 36 35.688 1.981 0.772 0.757 0.943 0.600 CB 1.450 36 residues pruned to eliminate duplicates Z: 38 27.676 1.968 0.683 0.705 0.838 0.378 CB 1.360 38 residues pruned to eliminate duplicates Z: 16 14.289 1.979 0.486 0.459 0.867 0.467 CB 1.510 16 residues pruned to eliminate duplicates Z: 33 31.958 2.000 0.743 0.682 0.938 0.469 CB 1.463 33 residues pruned to eliminate duplicates Z: 34 32.501 1.985 0.651 0.761 0.909 0.394 CB 1.506 34 residues pruned to eliminate duplicates Z: 37 24.374 1.903 0.554 0.723 0.833 0.472 CB 1.348 37 residues pruned to eliminate duplicates Z: 37 34.356 1.968 0.818 0.753 0.861 0.528 CB 1.484 37 residues pruned to eliminate duplicates Z: 36 28.384 1.961 0.663 0.715 0.857 0.400 CB 1.412 36 residues pruned to eliminate duplicates Z: 57 35.194 1.933 0.526 0.702 0.929 0.607 CB 1.429 57 residues pruned to eliminate duplicates Z: 54 36.383 2.013 0.523 0.734 0.925 0.679 CB 1.429 54 residues pruned to eliminate duplicates Z: 54 36.101 2.006 0.546 0.742 0.906 0.604 CB 1.421 54 residues pruned to eliminate duplicates Z: 16 18.155 1.956 0.362 0.678 0.933 0.667 CB 1.600 16 residues pruned to eliminate duplicates Z: 18 19.092 2.036 0.334 0.764 0.882 0.647 CB 1.528 18 residues pruned to eliminate duplicates Z: 35 21.993 2.002 0.527 0.589 0.824 0.618 CB 1.376 35 residues pruned to eliminate duplicates Z: 55 33.412 1.989 0.546 0.717 0.852 0.537 CB 1.427 55 residues pruned to eliminate duplicates Z: 55 41.550 1.993 0.621 0.734 0.944 0.537 CB 1.502 55 residues pruned to eliminate duplicates Z: 16 19.081 1.953 0.221 0.921 1.000 0.867 CB 1.453 16 residues pruned to eliminate duplicates Z: 55 32.196 1.973 0.529 0.689 0.926 0.537 CB 1.319 55 residues pruned to eliminate duplicates Z: 16 25.234 2.140 0.530 0.843 0.933 0.800 CB 1.588 18 residues pruned to eliminate duplicates Z: 14 25.438 2.005 0.529 0.943 1.000 0.923 CB 1.594 14 residues pruned to eliminate duplicates Z: 19 21.067 2.047 0.356 0.799 0.889 0.667 CB 1.549 19 residues pruned to eliminate duplicates Z: 20 16.619 1.984 0.358 0.696 0.842 0.579 CB 1.405 20 residues pruned to eliminate duplicates Z: 35 23.055 2.019 0.488 0.591 0.824 0.647 CB 1.464 35 residues pruned to eliminate duplicates Z: 54 34.506 1.970 0.484 0.720 0.943 0.679 CB 1.408 54 residues pruned to eliminate duplicates Z: 17 23.116 2.062 0.545 0.782 0.938 0.812 CB 1.509 17 residues pruned to eliminate duplicates Z: 18 21.338 2.061 0.426 0.797 0.882 0.706 CB 1.538 18 residues pruned to eliminate duplicates Z: 19 19.321 1.959 0.449 0.738 0.889 0.722 CB 1.457 19 residues pruned to eliminate duplicates Z: 19 25.449 1.972 0.666 0.832 0.944 0.444 CB 1.451 16 residues pruned to eliminate duplicates Z: 16 29.559 2.049 0.803 0.932 0.933 0.800 CB 1.546 17 residues pruned to eliminate duplicates Z: 18 20.555 1.985 0.488 0.762 0.882 0.647 CB 1.516 18 residues pruned to eliminate duplicates Z: 15 18.576 1.995 0.385 0.803 0.929 0.643 CA 1.485 15 residues pruned to eliminate duplicates Z: 15 13.105 2.002 0.366 0.617 0.786 0.643 CB 1.460 15 residues pruned to eliminate duplicates Z: 21 19.554 1.892 0.744 0.637 0.950 0.650 CB 1.226 21 residues pruned to eliminate duplicates Z: 20 17.209 1.921 0.477 0.687 0.842 0.579 CB 1.392 20 residues pruned to eliminate duplicates Z: 16 16.341 1.958 0.487 0.612 0.933 0.733 CA 1.396 16 residues pruned to eliminate duplicates Z: 19 22.101 1.943 0.632 0.703 0.944 0.556 CB 1.446 19 residues pruned to eliminate duplicates Z: 22 18.708 1.888 0.545 0.639 0.857 0.714 CB 1.433 22 residues pruned to eliminate duplicates Z: 20 18.947 1.884 0.610 0.654 0.895 0.632 CB 1.388 19 residues pruned to eliminate duplicates Z: 12 22.925 2.037 0.726 0.847 1.000 0.545 CA 1.459 19 residues pruned to eliminate duplicates Z: 14 24.638 2.034 0.640 0.873 1.000 0.462 CA 1.493 12 residues pruned to eliminate duplicates Z: 15 23.589 1.969 0.506 0.875 1.000 0.714 CA 1.546 14 residues pruned to eliminate duplicates Z: 14 19.607 2.011 0.538 0.875 0.846 0.462 CB 1.511 14 residues pruned to eliminate duplicates Z: 20 21.383 1.953 0.631 0.717 0.947 0.474 CB 1.335 17 residues pruned to eliminate duplicates Z: 16 24.473 1.916 0.713 0.880 0.933 0.533 CB 1.494 16 residues pruned to eliminate duplicates Z: 21 19.543 1.914 0.739 0.669 0.850 0.550 CB 1.321 21 residues pruned to eliminate duplicates Z: 32 22.552 2.111 0.493 0.615 0.903 0.484 CB 1.275 44 residues pruned to eliminate duplicates Z: 10 11.682 2.061 0.563 0.866 0.889 0.667 CB 0.995 Z: 13 16.671 1.807 0.646 0.873 1.000 0.750 CB 1.179 10 residues pruned to eliminate duplicates Z: 12 14.734 1.856 0.583 0.842 0.909 0.545 CB 1.240 12 residues pruned to eliminate duplicates Z: 12 17.231 1.900 0.616 0.849 1.000 0.636 CB 1.254 13 residues pruned to eliminate duplicates Z: 11 15.647 2.010 0.720 0.849 0.900 0.600 CB 1.178 12 residues pruned to eliminate duplicates Z: 12 16.359 1.904 0.796 0.887 1.000 0.636 CB 1.039 12 residues pruned to eliminate duplicates Z: 12 15.788 1.901 1.016 0.826 0.909 0.364 CB 1.031 12 residues pruned to eliminate duplicates Z: 19 13.895 1.824 0.390 0.607 0.944 0.611 CB 1.235 30 residues pruned to eliminate duplicates Z: 13 12.586 1.866 0.651 0.743 1.000 0.500 CB 0.948 Z: 11 13.094 1.818 0.683 0.779 0.900 0.400 CB 1.176 11 residues pruned to eliminate duplicates Z: 65 33.319 2.113 0.631 0.418 0.922 0.469 CB 1.427 78 residues pruned to eliminate duplicates Z: 103 54.648 2.158 0.657 0.567 0.941 0.598 CB 1.507 103 residues pruned to eliminate duplicates Z: 94 44.584 2.128 0.560 0.508 0.914 0.495 CB 1.511 94 residues pruned to eliminate duplicates Z: 62 40.971 2.268 0.652 0.474 0.918 0.590 CB 1.564 62 residues pruned to eliminate duplicates Z: 90 51.558 2.192 0.640 0.553 0.921 0.607 CB 1.568 90 residues pruned to eliminate duplicates Z: 74 48.170 2.256 0.684 0.518 0.918 0.603 CB 1.589 74 residues pruned to eliminate duplicates Z: 90 55.119 2.184 0.704 0.587 0.921 0.640 CB 1.567 90 residues pruned to eliminate duplicates Z: 87 49.382 2.202 0.713 0.506 0.884 0.616 CB 1.588 87 residues pruned to eliminate duplicates Z: 77 43.738 2.228 0.620 0.509 0.895 0.605 CB 1.539 77 residues pruned to eliminate duplicates Z: 76 46.271 2.252 0.649 0.522 0.880 0.640 CB 1.600 76 residues pruned to eliminate duplicates Z: 76 45.239 2.252 0.563 0.515 0.907 0.560 CB 1.612 76 residues pruned to eliminate duplicates Z: 90 47.825 2.190 0.667 0.518 0.921 0.539 CB 1.481 90 residues pruned to eliminate duplicates Z: 81 45.209 2.216 0.684 0.476 0.887 0.600 CB 1.563 81 residues pruned to eliminate duplicates Z: 77 42.747 2.215 0.587 0.462 0.908 0.500 CB 1.598 77 residues pruned to eliminate duplicates Z: 74 42.251 2.236 0.613 0.485 0.904 0.534 CB 1.540 74 residues pruned to eliminate duplicates Z: 88 52.919 2.215 0.629 0.556 0.943 0.609 CB 1.580 88 residues pruned to eliminate duplicates Z: 38 23.777 2.203 0.508 0.438 0.865 0.459 CB 1.452 38 residues pruned to eliminate duplicates Z: 81 50.107 2.237 0.686 0.541 0.913 0.650 CB 1.564 81 residues pruned to eliminate duplicates Z: 78 44.676 2.224 0.590 0.504 0.935 0.571 CB 1.534 78 residues pruned to eliminate duplicates Z: 51 26.334 2.189 0.536 0.401 0.840 0.440 CB 1.463 51 residues pruned to eliminate duplicates Z: 107 51.900 2.164 0.638 0.537 0.906 0.604 CB 1.515 158 residues pruned to eliminate duplicates Z: 7 10.042 1.966 0.771 0.526 0.833 0.333 CA 1.377 7 residues pruned to eliminate duplicates Z: 83 52.412 2.226 0.697 0.550 0.927 0.646 CB 1.574 83 residues pruned to eliminate duplicates Z: 55 42.866 2.245 0.728 0.519 0.889 0.611 CA 1.659 55 residues pruned to eliminate duplicates Z: 90 51.984 2.161 0.670 0.556 0.910 0.629 CB 1.589 90 residues pruned to eliminate duplicates Z: 52 44.220 2.307 0.706 0.516 0.922 0.647 CB 1.681 52 residues pruned to eliminate duplicates Z: 75 46.721 2.255 0.667 0.491 0.905 0.527 CB 1.610 75 residues pruned to eliminate duplicates Z: 91 47.429 2.162 0.702 0.502 0.900 0.644 CB 1.507 91 residues pruned to eliminate duplicates Z: 62 36.408 2.236 0.608 0.474 0.852 0.475 CB 1.562 62 residues pruned to eliminate duplicates Z: 61 34.021 2.210 0.506 0.489 0.850 0.533 CA 1.570 61 residues pruned to eliminate duplicates Z: 57 45.153 2.237 0.833 0.530 0.875 0.607 CB 1.633 57 residues pruned to eliminate duplicates Z: 54 42.168 2.288 0.624 0.524 0.925 0.660 CB 1.647 54 residues pruned to eliminate duplicates Z: 95 54.666 2.161 0.712 0.540 0.915 0.564 CB 1.601 95 residues pruned to eliminate duplicates Z: 66 53.252 2.244 0.780 0.613 0.892 0.677 CB 1.666 66 residues pruned to eliminate duplicates Z: 78 48.023 2.247 0.637 0.496 0.909 0.532 CB 1.643 78 residues pruned to eliminate duplicates Z: 75 44.924 2.252 0.677 0.500 0.878 0.486 CB 1.575 75 residues pruned to eliminate duplicates Z: 59 39.161 2.190 0.556 0.506 0.966 0.603 CB 1.554 59 residues pruned to eliminate duplicates Z: 82 48.303 2.196 0.690 0.517 0.901 0.630 CB 1.577 82 residues pruned to eliminate duplicates Z: 69 44.722 2.185 0.723 0.546 0.882 0.632 CB 1.561 69 residues pruned to eliminate duplicates Z: 62 42.121 2.222 0.765 0.488 0.885 0.557 CB 1.573 62 residues pruned to eliminate duplicates Z: 56 42.411 2.284 0.707 0.529 0.891 0.600 CB 1.601 56 residues pruned to eliminate duplicates Z: 56 45.705 2.246 0.743 0.505 0.945 0.600 CB 1.656 56 residues pruned to eliminate duplicates Z: 81 56.004 2.252 0.699 0.555 0.950 0.625 CB 1.632 81 residues pruned to eliminate duplicates Z: 33 38.733 2.259 0.804 0.644 0.875 0.656 CA 1.678 33 residues pruned to eliminate duplicates Z: 53 45.357 2.325 0.772 0.526 0.904 0.692 CB 1.645 53 residues pruned to eliminate duplicates Z: 80 50.704 2.246 0.608 0.559 0.937 0.633 CB 1.592 80 residues pruned to eliminate duplicates Z: 115 69.137 2.206 0.750 0.636 0.947 0.711 CB 1.559 115 residues pruned to eliminate duplicates Z: 55 47.275 2.260 0.793 0.545 0.926 0.611 CB 1.640 55 residues pruned to eliminate duplicates Z: 73 48.496 2.278 0.702 0.522 0.889 0.556 CB 1.622 73 residues pruned to eliminate duplicates Z: 29 35.785 2.224 0.608 0.690 0.929 0.571 CB 1.711 29 residues pruned to eliminate duplicates Z: 82 58.881 2.253 0.809 0.558 0.926 0.593 CB 1.640 82 residues pruned to eliminate duplicates Z: 54 44.473 2.294 0.759 0.524 0.906 0.566 CB 1.633 54 residues pruned to eliminate duplicates Z: 36 42.112 2.188 0.832 0.742 0.886 0.743 CB 1.615 36 residues pruned to eliminate duplicates Z: 31 40.393 2.254 0.884 0.671 0.867 0.667 CB 1.712 31 residues pruned to eliminate duplicates Z: 74 48.441 2.181 0.775 0.488 0.932 0.616 CB 1.592 74 residues pruned to eliminate duplicates Z: 28 46.040 2.298 1.013 0.703 0.926 0.704 CB 1.719 28 residues pruned to eliminate duplicates Z: 27 44.018 2.334 0.943 0.747 0.885 0.654 CB 1.726 27 residues pruned to eliminate duplicates Z: 55 48.859 2.251 0.858 0.499 0.963 0.593 CB 1.653 55 residues pruned to eliminate duplicates Z: 27 42.025 2.311 0.774 0.742 0.923 0.615 CB 1.754 27 residues pruned to eliminate duplicates Z: 64 48.945 2.194 0.837 0.548 0.937 0.714 CB 1.558 64 residues pruned to eliminate duplicates Z: 60 46.208 2.231 0.820 0.520 0.932 0.525 CB 1.559 60 residues pruned to eliminate duplicates Z: 72 40.422 2.189 0.591 0.490 0.859 0.437 CB 1.619 72 residues pruned to eliminate duplicates Z: 29 39.163 2.240 0.935 0.683 0.857 0.536 CB 1.684 29 residues pruned to eliminate duplicates Z: 28 45.899 2.282 0.930 0.695 0.963 0.741 CB 1.742 28 residues pruned to eliminate duplicates Z: 75 52.251 2.247 0.850 0.526 0.905 0.527 CB 1.573 75 residues pruned to eliminate duplicates Z: 32 40.567 2.216 0.878 0.659 0.903 0.613 CB 1.673 32 residues pruned to eliminate duplicates Z: 60 41.981 2.204 0.770 0.555 0.881 0.559 CB 1.506 60 residues pruned to eliminate duplicates Z: 42 44.471 2.164 0.767 0.748 0.927 0.732 CB 1.571 42 residues pruned to eliminate duplicates Z: 28 38.985 2.277 0.966 0.686 0.889 0.630 CB 1.590 28 residues pruned to eliminate duplicates Z: 100 54.603 2.151 0.751 0.580 0.909 0.495 CB 1.484 100 residues pruned to eliminate duplicates Z: 42 53.611 2.185 0.881 0.752 1.000 0.634 CB 1.627 42 residues pruned to eliminate duplicates Z: 78 46.342 2.107 0.846 0.577 0.857 0.494 CB 1.470 90 residues pruned to eliminate duplicates Z: 47 39.533 2.174 0.882 0.611 0.870 0.435 CB 1.475 47 residues pruned to eliminate duplicates Z: 84 54.675 2.198 0.846 0.534 0.928 0.506 CB 1.543 84 residues pruned to eliminate duplicates Z: 66 49.369 2.206 0.847 0.561 0.923 0.569 CB 1.535 66 residues pruned to eliminate duplicates Z: 68 51.190 2.218 0.821 0.565 0.925 0.627 CB 1.571 68 residues pruned to eliminate duplicates Z: 68 49.901 2.201 0.878 0.575 0.910 0.507 CB 1.507 68 residues pruned to eliminate duplicates Z: 67 52.266 2.232 0.825 0.587 0.924 0.576 CB 1.572 67 residues pruned to eliminate duplicates Z: 78 67.165 2.165 1.045 0.686 0.935 0.623 CB 1.559 78 residues pruned to eliminate duplicates Z: 44 41.462 2.132 0.910 0.716 0.884 0.605 CB 1.444 44 residues pruned to eliminate duplicates Z: 27 40.014 2.088 0.911 0.800 1.000 0.731 CB 1.512 27 residues pruned to eliminate duplicates Z: 29 32.251 2.020 0.924 0.752 0.893 0.643 CB 1.403 29 residues pruned to eliminate duplicates Z: 41 49.669 2.194 0.945 0.725 0.950 0.625 CB 1.582 41 residues pruned to eliminate duplicates Z: 58 47.849 2.081 0.946 0.604 0.930 0.491 CB 1.524 58 residues pruned to eliminate duplicates Z: 65 57.954 2.184 0.909 0.740 0.906 0.766 CA 1.546 65 residues pruned to eliminate duplicates Z: 90 57.831 2.197 0.953 0.564 0.865 0.461 CB 1.552 90 residues pruned to eliminate duplicates Z: 88 67.874 2.213 0.941 0.702 0.908 0.552 CB 1.553 88 residues pruned to eliminate duplicates Z: 10 9.621 1.989 0.881 0.393 0.778 0.222 CB 1.235 10 residues pruned to eliminate duplicates Z: 8 14.787 2.083 1.276 0.489 1.000 0.286 CA 1.192 8 residues pruned to eliminate duplicates Z: 61 35.407 2.152 0.656 0.472 0.883 0.583 CB 1.494 61 residues pruned to eliminate duplicates Z: 46 32.536 2.193 0.730 0.429 0.933 0.556 CB 1.475 46 residues pruned to eliminate duplicates Z: 50 29.541 2.094 0.688 0.400 0.918 0.510 CB 1.444 50 residues pruned to eliminate duplicates Z: 31 21.352 2.095 0.815 0.329 0.867 0.467 CB 1.427 31 residues pruned to eliminate duplicates Z: 91 56.919 2.209 0.820 0.555 0.900 0.611 CB 1.571 91 residues pruned to eliminate duplicates Z: 67 52.424 2.263 0.849 0.599 0.924 0.561 CA 1.518 67 residues pruned to eliminate duplicates Z: 32 22.379 2.155 0.617 0.336 0.871 0.516 CA 1.584 32 residues pruned to eliminate duplicates Z: 74 54.323 2.261 0.886 0.542 0.918 0.575 CB 1.559 74 residues pruned to eliminate duplicates Z: 41 64.088 2.309 1.149 0.741 1.000 0.700 CB 1.644 41 residues pruned to eliminate duplicates Z: 40 61.777 2.303 1.146 0.795 0.949 0.769 CA 1.629 40 residues pruned to eliminate duplicates Z: 41 67.498 2.330 1.196 0.794 0.975 0.775 CB 1.654 41 residues pruned to eliminate duplicates Z: 40 59.236 2.297 1.182 0.752 0.974 0.615 CA 1.552 40 residues pruned to eliminate duplicates Z: 47 58.111 2.256 0.939 0.735 1.000 0.739 CA 1.586 47 residues pruned to eliminate duplicates Z: 78 54.175 2.236 0.841 0.555 0.909 0.610 CB 1.564 78 residues pruned to eliminate duplicates Z: 40 68.331 2.367 1.141 0.804 0.974 0.718 CB 1.700 40 residues pruned to eliminate duplicates Z: 42 60.380 2.321 1.142 0.769 0.878 0.732 CA 1.703 42 residues pruned to eliminate duplicates Z: 42 61.785 2.282 1.156 0.724 1.000 0.805 CA 1.602 42 residues pruned to eliminate duplicates Z: 51 56.217 2.236 1.087 0.721 0.960 0.700 CA 1.454 51 residues pruned to eliminate duplicates Z: 40 60.380 2.355 1.035 0.778 0.949 0.667 CA 1.665 40 residues pruned to eliminate duplicates Z: 43 65.010 2.331 1.045 0.774 0.952 0.667 CB 1.734 43 residues pruned to eliminate duplicates Z: 40 69.973 2.355 1.197 0.794 0.974 0.692 CB 1.717 40 residues pruned to eliminate duplicates Z: 37 61.705 2.320 1.112 0.784 1.000 0.722 CA 1.635 37 residues pruned to eliminate duplicates Z: 41 66.315 2.366 1.132 0.790 0.950 0.750 CA 1.696 41 residues pruned to eliminate duplicates Z: 42 55.180 2.315 0.931 0.771 0.902 0.683 CA 1.681 42 residues pruned to eliminate duplicates Z: 47 62.635 2.265 1.053 0.788 0.935 0.674 CA 1.650 47 residues pruned to eliminate duplicates Z: 68 61.515 2.278 0.971 0.595 0.970 0.612 CA 1.576 68 residues pruned to eliminate duplicates Z: 41 65.140 2.301 1.219 0.782 0.975 0.675 CB 1.615 41 residues pruned to eliminate duplicates Z: 45 56.978 2.259 1.137 0.735 0.932 0.636 CB 1.546 45 residues pruned to eliminate duplicates Z: 56 53.691 2.195 0.981 0.712 0.909 0.709 CB 1.511 56 residues pruned to eliminate duplicates Z: 42 70.333 2.343 1.215 0.775 0.976 0.707 CB 1.701 42 residues pruned to eliminate duplicates Z: 40 62.582 2.290 1.182 0.774 0.923 0.590 CB 1.706 40 residues pruned to eliminate duplicates Z: 50 53.365 2.232 1.050 0.705 0.878 0.633 CA 1.576 50 residues pruned to eliminate duplicates Z: 89 59.672 2.164 0.854 0.578 0.943 0.523 CB 1.560 89 residues pruned to eliminate duplicates Z: 43 62.496 2.290 1.230 0.761 0.905 0.452 CB 1.655 43 residues pruned to eliminate duplicates Z: 41 69.500 2.369 1.212 0.771 1.000 0.500 CB 1.650 41 residues pruned to eliminate duplicates Z: 24 40.454 2.094 0.977 0.836 0.957 0.565 CB 1.594 24 residues pruned to eliminate duplicates Z: 46 60.361 2.258 1.081 0.776 0.956 0.511 CB 1.570 46 residues pruned to eliminate duplicates Z: 17 21.360 1.881 0.721 0.791 0.875 0.562 CA 1.459 17 residues pruned to eliminate duplicates Z: 20 35.138 2.153 1.167 0.789 0.789 0.421 CB 1.697 20 residues pruned to eliminate duplicates Z: 99 59.787 2.178 0.855 0.601 0.939 0.418 CB 1.447 96 residues pruned to eliminate duplicates Z: 21 32.228 2.010 0.940 0.904 0.900 0.650 CB 1.462 21 residues pruned to eliminate duplicates Z: 34 31.592 2.104 0.812 0.796 0.788 0.333 CB 1.413 34 residues pruned to eliminate duplicates Z: 44 65.409 2.278 1.248 0.800 0.953 0.442 CB 1.571 58 residues pruned to eliminate duplicates Z: 29 38.465 2.140 0.861 0.901 0.929 0.357 CB 1.403 29 residues pruned to eliminate duplicates Z: 54 58.888 2.183 1.070 0.776 0.943 0.453 CB 1.487 44 residues pruned to eliminate duplicates Z: 28 41.283 2.145 1.061 0.908 0.889 0.296 CB 1.436 28 residues pruned to eliminate duplicates Z: 18 11.826 1.737 0.810 0.499 0.647 0.412 CB 1.411 18 residues pruned to eliminate duplicates Z: 59 60.508 2.112 1.148 0.760 1.000 0.328 CB 1.390 54 residues pruned to eliminate duplicates Z: 29 29.022 1.904 0.763 0.786 0.929 0.679 CB 1.369 30 residues pruned to eliminate duplicates Z: 14 13.410 1.816 0.311 0.812 1.000 0.846 CB 1.191 14 residues pruned to eliminate duplicates Z: 14 12.029 1.695 0.325 0.811 1.000 0.769 CB 1.134 14 residues pruned to eliminate duplicates Z: 33 30.752 1.963 0.726 0.767 0.906 0.375 CB 1.398 33 residues pruned to eliminate duplicates Z: 14 13.475 1.864 0.219 0.779 1.000 0.462 CB 1.286 14 residues pruned to eliminate duplicates Z: 54 23.903 1.897 0.530 0.531 0.887 0.509 CB 1.237 18 residues pruned to eliminate duplicates Z: 39 47.781 2.105 0.906 0.855 0.974 0.500 CB 1.465 39 residues pruned to eliminate duplicates Z: 82 53.631 2.132 0.930 0.641 0.889 0.407 CB 1.428 82 residues pruned to eliminate duplicates Z: 25 20.715 1.923 0.737 0.644 0.917 0.583 CB 1.207 25 residues pruned to eliminate duplicates Z: 15 14.639 1.896 0.511 0.670 1.000 0.429 CB 1.167 15 residues pruned to eliminate duplicates Z: 60 52.592 2.154 0.959 0.755 0.932 0.373 CB 1.387 60 residues pruned to eliminate duplicates Z: 59 51.166 2.138 0.963 0.779 0.931 0.362 CB 1.344 59 residues pruned to eliminate duplicates Z: 48 25.889 1.994 0.481 0.593 0.915 0.596 CB 1.279 50 residues pruned to eliminate duplicates Z: 41 39.092 2.062 0.807 0.833 0.900 0.575 CB 1.384 41 residues pruned to eliminate duplicates Z: 68 31.104 2.045 0.631 0.443 0.881 0.522 CB 1.371 38 residues pruned to eliminate duplicates Z: 9 16.768 1.965 0.408 0.871 1.000 0.875 CB 1.563 9 residues pruned to eliminate duplicates Z: 31 22.073 2.015 0.582 0.582 0.833 0.633 CB 1.402 31 residues pruned to eliminate duplicates Z: 13 18.780 2.128 0.553 0.721 0.917 0.583 CB 1.466 13 residues pruned to eliminate duplicates Z: 13 19.776 2.122 0.615 0.747 0.917 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 16 15.547 2.064 0.511 0.592 0.800 0.667 CB 1.473 16 residues pruned to eliminate duplicates Z: 15 15.521 2.081 0.440 0.560 0.857 0.571 CB 1.523 15 residues pruned to eliminate duplicates Z: 32 21.917 1.992 0.596 0.652 0.839 0.516 CB 1.281 32 residues pruned to eliminate duplicates Z: 33 25.108 2.100 0.558 0.588 0.906 0.625 CB 1.376 33 residues pruned to eliminate duplicates Z: 16 18.039 2.076 0.651 0.589 0.800 0.667 CB 1.559 16 residues pruned to eliminate duplicates Z: 60 29.188 2.139 0.584 0.455 0.831 0.576 CB 1.414 60 residues pruned to eliminate duplicates Z: 18 16.467 2.017 0.612 0.537 0.824 0.471 CB 1.438 18 residues pruned to eliminate duplicates Z: 25 13.525 2.037 0.307 0.496 0.792 0.542 CB 1.316 25 residues pruned to eliminate duplicates Z: 63 31.527 2.141 0.568 0.461 0.887 0.468 CB 1.398 63 residues pruned to eliminate duplicates Z: 24 19.718 2.123 0.560 0.494 0.913 0.565 CB 1.368 24 residues pruned to eliminate duplicates Z: 99 57.969 2.209 0.776 0.570 0.898 0.571 CB 1.553 61 residues pruned to eliminate duplicates Z: 12 15.347 1.993 0.448 0.825 0.909 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 57 38.602 2.249 0.670 0.475 0.893 0.607 CA 1.578 57 residues pruned to eliminate duplicates Z: 25 19.161 2.072 0.500 0.545 0.875 0.625 CB 1.376 25 residues pruned to eliminate duplicates Z: 24 18.940 2.134 0.431 0.572 0.913 0.652 CB 1.321 24 residues pruned to eliminate duplicates Z: 46 26.934 2.177 0.540 0.451 0.889 0.511 CB 1.417 46 residues pruned to eliminate duplicates Z: 33 19.250 2.008 0.508 0.584 0.812 0.594 CB 1.275 33 residues pruned to eliminate duplicates Z: 23 16.820 1.948 0.423 0.499 0.864 0.545 CB 1.500 23 residues pruned to eliminate duplicates Z: 17 18.865 2.253 0.445 0.604 0.938 0.562 CB 1.400 17 residues pruned to eliminate duplicates Z: 32 24.227 2.204 0.606 0.512 0.871 0.645 CB 1.394 32 residues pruned to eliminate duplicates Z: 17 21.265 2.265 0.624 0.667 0.938 0.688 CB 1.321 17 residues pruned to eliminate duplicates Z: 51 27.275 2.123 0.646 0.418 0.880 0.540 CB 1.366 51 residues pruned to eliminate duplicates Z: 33 23.574 2.096 0.476 0.612 0.875 0.625 CB 1.385 33 residues pruned to eliminate duplicates Z: 25 18.359 2.052 0.629 0.586 0.833 0.625 CB 1.238 25 residues pruned to eliminate duplicates Z: 17 20.420 2.272 0.553 0.636 0.938 0.750 CB 1.358 17 residues pruned to eliminate duplicates Z: 9 9.917 2.027 0.690 0.453 0.875 0.750 CB 1.228 9 residues pruned to eliminate duplicates Z: 60 29.867 2.115 0.500 0.454 0.898 0.559 CB 1.429 60 residues pruned to eliminate duplicates Z: 29 21.580 2.150 0.535 0.460 0.929 0.643 CB 1.387 29 residues pruned to eliminate duplicates Z: 29 21.734 2.209 0.562 0.373 0.857 0.607 CB 1.590 29 residues pruned to eliminate duplicates Z: 34 18.653 2.091 0.578 0.355 0.818 0.515 CB 1.407 34 residues pruned to eliminate duplicates Z: 36 26.043 2.195 0.560 0.461 0.914 0.429 CB 1.463 36 residues pruned to eliminate duplicates Z: 81 52.831 2.261 0.697 0.595 0.925 0.600 CB 1.520 81 residues pruned to eliminate duplicates Z: 37 25.344 2.190 0.543 0.422 0.917 0.361 CB 1.479 37 residues pruned to eliminate duplicates Z: 29 21.342 2.155 0.612 0.319 0.964 0.500 CB 1.469 29 residues pruned to eliminate duplicates Z: 19 18.331 2.186 0.580 0.349 0.944 0.444 CA 1.559 19 residues pruned to eliminate duplicates Z: 31 18.101 2.108 0.592 0.309 0.833 0.367 CB 1.460 31 residues pruned to eliminate duplicates Z: 67 50.081 2.255 0.857 0.559 0.879 0.561 CA 1.581 67 residues pruned to eliminate duplicates Z: 20 19.605 2.199 0.614 0.312 0.947 0.316 CA 1.648 20 residues pruned to eliminate duplicates Z: 42 21.840 2.165 0.506 0.407 0.805 0.439 CB 1.434 42 residues pruned to eliminate duplicates Z: 100 54.212 2.163 0.704 0.564 0.909 0.566 CB 1.529 97 residues pruned to eliminate duplicates Z: 10 12.921 2.209 0.697 0.403 0.889 0.111 CA 1.432 10 residues pruned to eliminate duplicates Z: 70 60.416 2.238 0.927 0.609 0.942 0.594 CA 1.613 71 residues pruned to eliminate duplicates Z: 6 4.226 1.723 0.764 0.411 1.000 0.800 CB 0.683 6 residues pruned to eliminate duplicates Z: 14 20.593 1.903 0.649 0.792 0.923 0.846 CA 1.527 14 residues pruned to eliminate duplicates Z: 13 16.350 1.824 0.474 0.857 0.917 0.833 CA 1.411 13 residues pruned to eliminate duplicates Z: 13 19.774 1.964 0.551 0.777 0.917 0.917 CB 1.601 13 residues pruned to eliminate duplicates Z: 22 17.366 1.892 0.460 0.649 1.000 0.810 CB 1.194 22 residues pruned to eliminate duplicates Z: 14 20.164 1.849 0.940 0.677 0.923 0.538 N 1.436 14 residues pruned to eliminate duplicates Z: 24 22.467 1.884 0.565 0.665 1.000 0.652 CB 1.364 16 residues pruned to eliminate duplicates Z: 14 30.176 1.978 0.822 0.915 1.000 0.846 CA 1.641 14 residues pruned to eliminate duplicates Z: 14 25.549 1.899 0.907 0.881 0.923 0.923 CB 1.535 14 residues pruned to eliminate duplicates Z: 18 24.692 1.907 0.584 0.764 1.000 0.765 CB 1.568 18 residues pruned to eliminate duplicates Z: 23 21.215 1.765 0.662 0.661 0.955 0.500 CA 1.391 23 residues pruned to eliminate duplicates Z: 23 19.988 1.873 0.684 0.645 0.909 0.682 CB 1.298 23 residues pruned to eliminate duplicates Z: 24 24.848 1.877 0.736 0.686 1.000 0.739 CB 1.341 24 residues pruned to eliminate duplicates Z: 16 23.309 1.882 0.685 0.778 1.000 0.733 CA 1.486 16 residues pruned to eliminate duplicates Z: 23 23.133 1.883 0.747 0.693 0.955 0.591 CB 1.317 23 residues pruned to eliminate duplicates Z: 22 22.255 1.908 0.629 0.696 1.000 0.571 CB 1.307 22 residues pruned to eliminate duplicates Z: 22 24.608 1.915 0.768 0.726 1.000 0.762 CB 1.293 22 residues pruned to eliminate duplicates Z: 19 10.687 1.732 0.633 0.479 0.833 0.778 CB 1.091 19 residues pruned to eliminate duplicates Z: 19 14.928 1.665 0.201 0.870 0.944 0.833 CB 1.360 19 residues pruned to eliminate duplicates Z: 17 14.147 1.657 0.203 0.902 1.000 0.875 CB 1.265 17 residues pruned to eliminate duplicates Z: 9 8.537 1.675 0.195 0.759 1.000 0.875 CA 1.197 9 residues pruned to eliminate duplicates Z: 16 17.254 1.749 0.566 0.849 0.933 0.667 CB 1.292 16 residues pruned to eliminate duplicates Z: 12 10.735 1.617 0.426 0.720 0.909 0.455 CA 1.266 12 residues pruned to eliminate duplicates Z: 16 12.221 1.730 0.357 0.821 0.933 0.733 CB 1.091 17 residues pruned to eliminate duplicates Z: 18 17.873 1.732 0.358 0.926 1.000 0.706 CB 1.292 18 residues pruned to eliminate duplicates Z: 15 15.508 1.788 0.435 0.854 0.929 0.714 CB 1.284 15 residues pruned to eliminate duplicates Z: 12 13.932 1.734 0.532 0.803 1.000 0.545 CB 1.213 12 residues pruned to eliminate duplicates Z: 17 12.836 1.624 0.425 0.798 0.938 0.875 CB 1.139 17 residues pruned to eliminate duplicates Z: 17 10.886 1.653 0.385 0.669 0.938 0.500 CB 1.085 17 residues pruned to eliminate duplicates Z: 18 13.566 1.671 0.423 0.832 0.941 0.588 CB 1.103 18 residues pruned to eliminate duplicates Z: 15 10.570 1.728 0.460 0.808 0.857 0.571 CB 0.999 15 residues pruned to eliminate duplicates Z: 11 9.768 1.682 0.710 0.843 0.900 0.600 CB 0.888 11 residues pruned to eliminate duplicates Z: 11 7.899 1.748 0.668 0.707 0.700 0.400 CB 1.014 11 residues pruned to eliminate duplicates Z: 12 10.593 1.729 0.654 0.644 0.909 0.364 CB 1.074 12 residues pruned to eliminate duplicates Z: 16 15.812 1.747 0.740 0.876 0.867 0.667 CB 1.127 16 residues pruned to eliminate duplicates Z: 21 23.528 1.761 0.541 0.911 1.000 0.700 CB 1.374 22 residues pruned to eliminate duplicates Z: 21 19.596 1.641 0.760 0.884 0.950 0.650 CB 1.154 19 residues pruned to eliminate duplicates Z: 12 14.481 1.758 0.484 0.876 1.000 0.909 CB 1.216 12 residues pruned to eliminate duplicates Z: 18 17.832 1.718 0.639 0.934 0.941 0.824 CB 1.138 18 residues pruned to eliminate duplicates Z: 12 10.703 2.026 0.488 0.373 0.727 0.273 CB 1.685 12 residues pruned to eliminate duplicates Z: 15 14.770 1.897 0.471 0.631 0.857 0.429 CB 1.460 15 residues pruned to eliminate duplicates Z: 20 14.075 1.945 0.490 0.522 0.895 0.632 CB 1.219 15 residues pruned to eliminate duplicates Z: 9 21.135 1.902 0.973 0.843 1.000 0.625 CB 1.483 9 residues pruned to eliminate duplicates Z: 9 16.507 2.148 0.791 0.548 0.875 0.625 CB 1.654 9 residues pruned to eliminate duplicates Z: 17 14.601 1.949 0.615 0.502 0.812 0.500 CB 1.425 17 residues pruned to eliminate duplicates Z: 15 16.012 1.967 0.659 0.503 0.857 0.571 CB 1.525 15 residues pruned to eliminate duplicates Z: 15 17.948 1.943 0.637 0.676 0.929 0.714 CB 1.381 18 residues pruned to eliminate duplicates Z: 9 21.027 1.850 1.004 0.897 1.000 1.000 N 1.436 9 residues pruned to eliminate duplicates Z: 9 17.509 1.883 0.621 0.860 1.000 0.750 CB 1.492 9 residues pruned to eliminate duplicates Z: 15 18.073 1.965 0.665 0.692 0.857 0.500 CB 1.445 15 residues pruned to eliminate duplicates Z: 7 5.287 1.624 0.549 0.337 1.000 0.833 N 1.024 7 residues pruned to eliminate duplicates Z: 14 10.632 1.765 0.294 0.545 0.923 0.769 CB 1.339 14 residues pruned to eliminate duplicates Z: 14 10.043 1.717 0.509 0.493 0.846 0.462 CB 1.279 13 residues pruned to eliminate duplicates Z: 8 3.744 1.429 0.362 0.544 0.857 0.286 CB 0.812 8 residues pruned to eliminate duplicates Z: 17 13.472 1.772 0.451 0.550 1.000 0.625 CB 1.247 17 residues pruned to eliminate duplicates Z: 14 8.924 1.705 0.363 0.484 0.846 0.538 CB 1.279 12 residues pruned to eliminate duplicates 6 1.564 1.620 0.217 0.223 0.600 0.400 CB 0.817 ? Z: 6 4.254 1.417 0.563 0.543 1.000 0.400 CA 0.824 4 residues pruned to eliminate duplicates Z: 10 7.328 1.858 0.330 0.620 0.667 0.556 CA 1.324 10 residues pruned to eliminate duplicates Z: 29 21.030 2.014 0.663 0.486 0.893 0.536 CB 1.348 30 residues pruned to eliminate duplicates Z: 9 17.311 2.022 0.859 0.831 0.875 0.625 CA 1.399 9 residues pruned to eliminate duplicates Z: 26 19.515 2.079 0.637 0.505 0.920 0.520 CB 1.240 26 residues pruned to eliminate duplicates Z: 29 20.443 1.990 0.549 0.540 0.857 0.321 CB 1.407 29 residues pruned to eliminate duplicates Z: 27 17.042 2.044 0.472 0.534 0.808 0.231 CB 1.331 27 residues pruned to eliminate duplicates Z: 14 11.186 1.896 0.530 0.551 0.769 0.308 CB 1.322 14 residues pruned to eliminate duplicates Z: 25 22.405 2.116 0.778 0.503 0.833 0.458 CB 1.455 25 residues pruned to eliminate duplicates Z: 26 22.168 2.093 0.650 0.596 0.840 0.360 CB 1.396 26 residues pruned to eliminate duplicates Z: 25 17.316 1.983 0.540 0.435 0.875 0.417 CB 1.414 25 residues pruned to eliminate duplicates Z: 26 24.853 2.133 0.605 0.534 0.960 0.480 CB 1.462 27 residues pruned to eliminate duplicates Z: 7 4.678 1.377 0.969 0.340 0.833 0.500 C 1.006 7 residues pruned to eliminate duplicates Z: 28 21.877 1.992 0.485 0.525 0.963 0.593 CB 1.443 28 residues pruned to eliminate duplicates Z: 28 19.989 2.086 0.499 0.531 0.852 0.593 CB 1.400 28 residues pruned to eliminate duplicates Z: 27 21.999 2.093 0.630 0.589 0.846 0.538 CB 1.374 27 residues pruned to eliminate duplicates Z: 16 15.372 2.109 0.644 0.542 0.867 0.667 CB 1.267 16 residues pruned to eliminate duplicates Z: 16 18.301 2.020 0.805 0.500 0.867 0.467 CB 1.496 16 residues pruned to eliminate duplicates Z: 41 24.630 2.098 0.703 0.472 0.825 0.550 CB 1.360 37 residues pruned to eliminate duplicates Z: 7 6.864 1.756 0.725 0.480 0.833 0.333 O 1.133 7 residues pruned to eliminate duplicates Z: 44 25.157 2.109 0.683 0.459 0.837 0.419 CB 1.346 44 residues pruned to eliminate duplicates Z: 33 16.456 2.012 0.406 0.406 0.812 0.406 CB 1.397 33 residues pruned to eliminate duplicates Z: 20 29.509 2.148 1.045 0.562 0.947 0.368 CB 1.531 20 residues pruned to eliminate duplicates Z: 45 27.220 2.101 0.794 0.480 0.818 0.477 CB 1.358 45 residues pruned to eliminate duplicates Z: 31 23.556 2.083 0.837 0.412 0.867 0.533 CB 1.422 29 residues pruned to eliminate duplicates Z: 10 23.663 1.856 0.891 0.855 1.000 0.556 O 1.659 10 residues pruned to eliminate duplicates Z: 39 24.263 2.095 0.646 0.437 0.895 0.526 CB 1.362 39 residues pruned to eliminate duplicates Z: 49 28.596 2.132 0.698 0.518 0.854 0.583 CB 1.310 49 residues pruned to eliminate duplicates Z: 51 30.968 2.117 0.648 0.471 0.900 0.580 CB 1.436 51 residues pruned to eliminate duplicates Z: 29 21.952 2.067 0.706 0.499 0.893 0.500 CB 1.319 29 residues pruned to eliminate duplicates Z: 44 29.056 2.133 0.785 0.484 0.837 0.465 CB 1.412 44 residues pruned to eliminate duplicates Z: 50 28.091 2.122 0.739 0.459 0.837 0.469 CB 1.356 52 residues pruned to eliminate duplicates Z: 22 20.825 1.913 0.599 0.801 0.905 0.524 CB 1.263 22 residues pruned to eliminate duplicates Z: 18 16.678 2.090 0.836 0.454 1.000 0.647 CB 1.105 18 residues pruned to eliminate duplicates Z: 23 21.456 1.833 0.527 0.790 0.955 0.545 CB 1.327 23 residues pruned to eliminate duplicates Z: 49 28.096 2.166 0.684 0.474 0.854 0.521 CB 1.336 49 residues pruned to eliminate duplicates Z: 50 29.536 2.127 0.590 0.495 0.918 0.531 CB 1.365 51 residues pruned to eliminate duplicates Z: 9 7.690 1.812 0.673 0.413 0.875 0.625 CB 1.123 9 residues pruned to eliminate duplicates Z: 27 16.222 2.007 0.536 0.441 0.808 0.385 CB 1.358 27 residues pruned to eliminate duplicates Z: 49 25.699 2.139 0.597 0.504 0.833 0.500 CB 1.298 48 residues pruned to eliminate duplicates Z: 7 2.852 1.618 0.719 0.308 0.500 0.333 CB 1.037 7 residues pruned to eliminate duplicates Z: 12 13.070 2.019 0.598 0.371 0.909 0.545 CB 1.543 13 residues pruned to eliminate duplicates Z: 9 4.208 1.314 0.519 0.354 0.875 0.625 CA 0.997 8 residues pruned to eliminate duplicates Z: 7 3.274 1.352 0.285 0.377 1.000 0.500 N 0.877 7 residues pruned to eliminate duplicates Z: 16 8.948 1.669 0.337 0.417 0.867 0.533 CB 1.303 16 residues pruned to eliminate duplicates Z: 16 7.886 1.663 0.512 0.382 0.800 0.400 CB 1.148 16 residues pruned to eliminate duplicates Z: 16 8.006 1.712 0.556 0.359 0.733 0.400 CB 1.233 16 residues pruned to eliminate duplicates Z: 11 5.648 1.629 0.672 0.168 0.700 0.400 N 1.403 11 residues pruned to eliminate duplicates Z: 10 4.542 1.720 0.423 0.255 0.667 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 36 21.111 1.979 0.556 0.439 0.857 0.571 CB 1.439 37 residues pruned to eliminate duplicates Z: 16 21.241 1.936 0.455 0.729 1.000 0.400 CB 1.584 16 residues pruned to eliminate duplicates Z: 38 20.980 1.914 0.545 0.500 0.865 0.514 CB 1.349 38 residues pruned to eliminate duplicates Z: 13 20.176 2.016 0.627 0.854 0.917 0.500 CB 1.431 13 residues pruned to eliminate duplicates Z: 25 25.739 2.051 0.705 0.615 0.958 0.417 CB 1.405 25 residues pruned to eliminate duplicates Z: 31 16.972 1.933 0.638 0.457 0.800 0.467 CB 1.278 31 residues pruned to eliminate duplicates Z: 16 22.193 2.049 0.523 0.798 1.000 0.467 CB 1.414 16 residues pruned to eliminate duplicates Z: 44 28.966 2.015 0.637 0.601 0.860 0.488 CB 1.414 41 residues pruned to eliminate duplicates Z: 14 19.091 1.871 0.934 0.847 0.846 0.385 CB 1.284 14 residues pruned to eliminate duplicates Z: 24 27.030 2.102 0.623 0.591 1.000 0.652 CB 1.514 24 residues pruned to eliminate duplicates Z: 36 23.937 1.970 0.661 0.472 0.914 0.514 CB 1.391 36 residues pruned to eliminate duplicates Z: 27 24.676 2.013 0.771 0.601 0.885 0.577 CB 1.394 27 residues pruned to eliminate duplicates Z: 24 24.539 2.096 0.649 0.609 0.913 0.435 CB 1.462 24 residues pruned to eliminate duplicates Z: 25 25.913 2.088 0.692 0.639 0.958 0.542 CB 1.371 25 residues pruned to eliminate duplicates Z: 36 21.720 1.949 0.568 0.464 0.943 0.457 CB 1.321 36 residues pruned to eliminate duplicates Z: 28 22.950 2.016 0.649 0.568 0.926 0.444 CB 1.344 28 residues pruned to eliminate duplicates Z: 26 26.566 2.075 0.548 0.634 1.000 0.640 CB 1.458 26 residues pruned to eliminate duplicates Z: 35 24.923 2.023 0.593 0.502 0.912 0.441 CB 1.452 35 residues pruned to eliminate duplicates Z: 36 22.981 1.980 0.629 0.491 0.857 0.543 CB 1.417 36 residues pruned to eliminate duplicates 6 1.402 1.652 -0.022 0.261 0.600 0.200 CA 0.850 ? Z: 26 29.047 1.983 0.555 0.840 1.000 0.760 CB 1.407 26 residues pruned to eliminate duplicates Z: 15 25.049 2.077 0.798 0.755 0.929 0.571 CB 1.538 15 residues pruned to eliminate duplicates Z: 37 33.001 2.041 0.497 0.705 0.972 0.667 CB 1.537 37 residues pruned to eliminate duplicates Z: 27 28.797 2.020 0.621 0.750 0.923 0.808 CB 1.495 27 residues pruned to eliminate duplicates Z: 24 19.631 1.983 0.495 0.720 0.870 0.565 CB 1.302 24 residues pruned to eliminate duplicates Z: 54 32.912 1.986 0.535 0.654 0.943 0.642 CB 1.362 54 residues pruned to eliminate duplicates Z: 27 28.426 2.031 0.682 0.776 0.962 0.615 CB 1.331 27 residues pruned to eliminate duplicates Z: 56 35.743 2.055 0.584 0.669 0.891 0.636 CB 1.421 56 residues pruned to eliminate duplicates Z: 19 20.511 1.924 0.988 0.703 0.833 0.278 CB 1.261 19 residues pruned to eliminate duplicates Z: 25 28.033 2.072 0.801 0.810 0.833 0.500 CB 1.405 25 residues pruned to eliminate duplicates Z: 39 32.943 2.018 0.712 0.709 0.921 0.553 CB 1.389 39 residues pruned to eliminate duplicates Z: 25 28.994 2.023 0.873 0.816 0.875 0.458 CB 1.356 25 residues pruned to eliminate duplicates Z: 15 26.201 2.093 0.833 0.924 0.929 0.714 CB 1.381 15 residues pruned to eliminate duplicates Z: 36 30.093 1.941 0.712 0.716 0.943 0.600 CB 1.335 36 residues pruned to eliminate duplicates Z: 39 29.434 1.959 0.739 0.678 0.895 0.579 CB 1.330 39 residues pruned to eliminate duplicates Z: 18 22.779 2.020 0.794 0.814 0.882 0.412 CB 1.314 18 residues pruned to eliminate duplicates Z: 25 27.833 2.035 0.910 0.809 0.875 0.458 CB 1.276 25 residues pruned to eliminate duplicates Z: 33 22.708 1.947 0.566 0.691 0.844 0.375 CB 1.310 33 residues pruned to eliminate duplicates Z: 25 26.653 2.032 0.968 0.825 0.750 0.333 CB 1.370 25 residues pruned to eliminate duplicates Z: 39 29.570 2.010 0.723 0.661 0.868 0.368 CB 1.374 39 residues pruned to eliminate duplicates Z: 42 28.812 1.963 0.776 0.669 0.878 0.439 CB 1.258 42 residues pruned to eliminate duplicates Z: 32 30.682 1.996 0.756 0.718 0.935 0.419 CB 1.379 32 residues pruned to eliminate duplicates Z: 38 29.431 2.039 0.787 0.692 0.838 0.459 CB 1.329 38 residues pruned to eliminate duplicates Z: 17 12.666 1.900 0.469 0.477 0.875 0.438 CB 1.328 17 residues pruned to eliminate duplicates Z: 39 34.660 1.992 0.762 0.725 0.974 0.316 CB 1.343 39 residues pruned to eliminate duplicates Z: 65 38.694 2.007 0.615 0.635 0.938 0.484 CB 1.402 65 residues pruned to eliminate duplicates Z: 38 34.090 2.048 0.804 0.701 0.946 0.378 CB 1.335 38 residues pruned to eliminate duplicates Z: 42 31.624 2.000 0.754 0.670 0.902 0.488 CB 1.334 42 residues pruned to eliminate duplicates Z: 62 34.514 1.976 0.564 0.618 0.918 0.492 CB 1.394 62 residues pruned to eliminate duplicates Z: 16 9.796 1.874 0.381 0.461 0.867 0.467 CB 1.173 16 residues pruned to eliminate duplicates Z: 32 26.693 1.998 0.814 0.734 0.903 0.355 CB 1.187 32 residues pruned to eliminate duplicates Z: 37 23.742 1.942 0.851 0.607 0.778 0.389 CB 1.278 37 residues pruned to eliminate duplicates Z: 39 31.316 2.055 0.748 0.694 0.868 0.500 CB 1.364 39 residues pruned to eliminate duplicates Z: 35 30.408 2.077 0.681 0.613 0.912 0.647 CB 1.472 28 residues pruned to eliminate duplicates Z: 15 22.405 2.211 0.306 0.785 0.929 0.643 CB 1.739 15 residues pruned to eliminate duplicates Z: 8 2.115 1.782 0.301 0.197 0.571 0.429 CA 0.865 8 residues pruned to eliminate duplicates Z: 17 23.431 2.136 0.487 0.760 0.875 0.688 CA 1.673 17 residues pruned to eliminate duplicates Z: 62 39.816 2.038 0.759 0.656 0.934 0.574 CB 1.317 62 residues pruned to eliminate duplicates Z: 19 21.948 2.107 0.570 0.728 0.889 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 19 26.162 2.115 0.633 0.750 0.944 0.778 CB 1.513 19 residues pruned to eliminate duplicates Z: 91 46.246 2.057 0.711 0.629 0.900 0.511 CB 1.363 91 residues pruned to eliminate duplicates Z: 18 24.074 2.080 0.639 0.751 0.882 0.588 CB 1.552 18 residues pruned to eliminate duplicates Z: 18 24.293 2.128 0.626 0.745 0.882 0.706 CB 1.551 18 residues pruned to eliminate duplicates Z: 24 23.896 2.067 0.494 0.672 0.957 0.652 CB 1.439 24 residues pruned to eliminate duplicates Z: 57 42.374 2.064 0.720 0.721 0.946 0.411 CB 1.380 57 residues pruned to eliminate duplicates Z: 25 25.658 2.092 0.649 0.630 0.875 0.750 CA 1.535 25 residues pruned to eliminate duplicates Z: 24 28.502 2.118 0.740 0.673 0.913 0.565 CB 1.504 24 residues pruned to eliminate duplicates Z: 6 6.457 1.899 0.747 0.402 1.000 0.600 CA 0.965 6 residues pruned to eliminate duplicates Z: 21 25.277 2.056 0.759 0.597 0.900 0.350 CB 1.582 21 residues pruned to eliminate duplicates Z: 32 33.414 2.024 0.515 0.820 0.968 0.806 CB 1.532 32 residues pruned to eliminate duplicates Z: 10 11.066 1.769 0.367 0.863 1.000 0.667 CB 1.119 10 residues pruned to eliminate duplicates Z: 12 12.835 1.818 0.538 0.716 0.909 0.727 CB 1.252 12 residues pruned to eliminate duplicates Z: 39 24.385 1.918 0.343 0.704 0.868 0.605 CB 1.469 39 residues pruned to eliminate duplicates Z: 32 38.529 2.076 0.617 0.798 1.000 0.710 CB 1.588 34 residues pruned to eliminate duplicates Z: 9 12.231 1.803 0.864 0.719 0.875 0.375 CB 1.207 9 residues pruned to eliminate duplicates Z: 33 34.369 2.083 0.477 0.824 0.969 0.750 CB 1.539 33 residues pruned to eliminate duplicates Z: 35 40.897 2.057 0.682 0.827 0.971 0.706 CB 1.574 35 residues pruned to eliminate duplicates Z: 32 38.207 2.081 0.677 0.809 0.935 0.710 CB 1.605 32 residues pruned to eliminate duplicates Z: 39 39.486 1.985 0.684 0.803 0.947 0.632 CB 1.553 39 residues pruned to eliminate duplicates Z: 34 38.657 2.041 0.676 0.805 1.000 0.576 CB 1.508 34 residues pruned to eliminate duplicates Z: 31 34.847 2.085 0.696 0.740 1.000 0.567 CB 1.451 31 residues pruned to eliminate duplicates Z: 35 39.952 2.037 0.702 0.815 0.971 0.618 CB 1.549 35 residues pruned to eliminate duplicates Z: 33 37.154 2.021 0.658 0.821 0.969 0.719 CB 1.531 33 residues pruned to eliminate duplicates Z: 34 39.787 2.073 0.760 0.799 0.939 0.606 CB 1.555 34 residues pruned to eliminate duplicates Z: 38 34.962 2.026 0.533 0.809 0.919 0.649 CB 1.539 38 residues pruned to eliminate duplicates Z: 30 36.190 2.104 0.877 0.733 0.966 0.690 CB 1.429 30 residues pruned to eliminate duplicates Z: 37 36.646 2.003 0.635 0.810 0.944 0.750 CB 1.507 37 residues pruned to eliminate duplicates Z: 41 25.467 1.884 0.656 0.607 0.900 0.550 CB 1.296 41 residues pruned to eliminate duplicates Z: 32 39.646 2.066 0.696 0.798 1.000 0.613 CB 1.566 32 residues pruned to eliminate duplicates Z: 25 34.056 2.048 0.671 0.911 0.958 0.500 CB 1.503 25 residues pruned to eliminate duplicates Z: 33 33.547 2.052 0.688 0.772 0.875 0.625 CB 1.538 33 residues pruned to eliminate duplicates Z: 19 21.177 1.805 0.673 0.730 0.889 0.333 CB 1.512 19 residues pruned to eliminate duplicates Z: 47 34.939 1.894 0.755 0.765 0.935 0.500 CB 1.311 47 residues pruned to eliminate duplicates Z: 29 32.561 1.950 0.750 0.867 0.929 0.393 CB 1.420 29 residues pruned to eliminate duplicates Z: 18 24.213 1.981 0.900 0.729 0.824 0.294 CB 1.542 18 residues pruned to eliminate duplicates Z: 32 37.170 2.029 0.888 0.802 0.968 0.419 CB 1.383 32 residues pruned to eliminate duplicates Z: 40 32.680 1.925 0.756 0.805 0.897 0.385 CB 1.322 40 residues pruned to eliminate duplicates Z: 37 39.042 2.005 0.872 0.838 0.944 0.556 CB 1.372 37 residues pruned to eliminate duplicates Z: 38 41.247 1.994 0.957 0.817 0.919 0.514 CB 1.436 38 residues pruned to eliminate duplicates Z: 40 39.022 1.978 0.823 0.815 0.897 0.462 CB 1.469 40 residues pruned to eliminate duplicates Z: 18 17.877 1.767 0.852 0.792 0.706 0.353 O 1.452 18 residues pruned to eliminate duplicates Z: 21 30.802 1.943 0.849 0.813 0.900 0.550 CB 1.622 21 residues pruned to eliminate duplicates Z: 38 35.695 1.980 0.904 0.812 0.865 0.405 CB 1.372 38 residues pruned to eliminate duplicates Z: 39 38.806 1.979 0.889 0.816 0.895 0.421 CB 1.430 39 residues pruned to eliminate duplicates Z: 37 28.053 1.887 0.727 0.669 0.861 0.306 CB 1.426 37 residues pruned to eliminate duplicates Z: 25 20.838 2.113 0.565 0.470 0.875 0.542 CB 1.516 24 residues pruned to eliminate duplicates Z: 6 5.579 1.932 0.697 0.208 1.000 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 12 16.695 2.089 0.789 0.660 0.909 0.364 CB 1.278 12 residues pruned to eliminate duplicates Z: 33 21.753 2.100 0.634 0.456 0.875 0.469 CB 1.341 31 residues pruned to eliminate duplicates Z: 8 23.353 2.133 0.990 0.896 1.000 0.571 CB 1.490 8 residues pruned to eliminate duplicates Z: 25 28.507 2.255 0.721 0.580 0.958 0.500 CB 1.448 25 residues pruned to eliminate duplicates Z: 34 28.082 2.148 0.626 0.518 0.879 0.606 CB 1.564 34 residues pruned to eliminate duplicates Z: 24 23.816 2.147 0.849 0.477 0.913 0.522 CB 1.402 24 residues pruned to eliminate duplicates Z: 29 24.360 2.169 0.921 0.484 0.893 0.536 CB 1.257 29 residues pruned to eliminate duplicates Z: 25 29.833 2.244 0.939 0.576 0.958 0.542 CB 1.358 25 residues pruned to eliminate duplicates Z: 20 28.762 2.279 0.950 0.535 0.947 0.474 CB 1.515 20 residues pruned to eliminate duplicates Z: 23 24.119 2.226 0.818 0.493 0.955 0.409 CB 1.341 23 residues pruned to eliminate duplicates Z: 26 21.417 2.104 0.600 0.453 0.920 0.600 CB 1.451 26 residues pruned to eliminate duplicates Z: 30 23.004 2.070 0.699 0.514 0.897 0.483 CB 1.336 30 residues pruned to eliminate duplicates Z: 21 23.183 2.275 0.652 0.501 0.950 0.750 CB 1.451 21 residues pruned to eliminate duplicates Z: 16 9.372 1.882 0.606 0.317 0.733 0.467 CB 1.337 16 residues pruned to eliminate duplicates Z: 26 20.849 2.063 0.729 0.482 0.880 0.480 CB 1.354 26 residues pruned to eliminate duplicates Z: 29 27.091 2.084 0.856 0.540 0.964 0.500 CB 1.320 29 residues pruned to eliminate duplicates Z: 18 11.870 2.016 0.707 0.429 0.824 0.588 CB 1.093 18 residues pruned to eliminate duplicates Z: 15 16.693 2.059 0.631 0.515 0.929 0.786 CB 1.411 15 residues pruned to eliminate duplicates Z: 30 21.179 2.073 0.797 0.503 0.828 0.586 CB 1.273 30 residues pruned to eliminate duplicates Z: 24 14.155 1.988 0.631 0.512 0.739 0.478 CB 1.217 24 residues pruned to eliminate duplicates Z: 14 15.342 2.020 0.497 0.608 0.769 0.538 N 1.651 14 residues pruned to eliminate duplicates Z: 42 26.931 2.144 0.532 0.550 0.878 0.585 CB 1.389 52 residues pruned to eliminate duplicates Z: 17 21.870 1.932 0.602 0.722 1.000 0.688 CB 1.445 17 residues pruned to eliminate duplicates Z: 16 11.323 1.964 0.383 0.539 0.733 0.400 N 1.412 16 residues pruned to eliminate duplicates Z: 41 19.872 2.052 0.445 0.497 0.850 0.550 CB 1.251 41 residues pruned to eliminate duplicates Z: 50 32.290 2.174 0.587 0.554 0.898 0.612 CB 1.413 51 residues pruned to eliminate duplicates Z: 8 19.895 2.037 0.720 0.859 1.000 0.714 N 1.579 8 residues pruned to eliminate duplicates Z: 34 26.465 2.176 0.750 0.560 0.818 0.545 CB 1.396 34 residues pruned to eliminate duplicates Z: 11 16.676 2.102 0.659 0.548 0.900 0.500 N 1.605 11 residues pruned to eliminate duplicates Z: 34 24.755 2.070 0.764 0.518 0.848 0.606 CB 1.366 34 residues pruned to eliminate duplicates Z: 26 22.591 2.008 0.748 0.484 0.800 0.480 CB 1.635 26 residues pruned to eliminate duplicates Z: 40 31.747 2.175 0.674 0.548 0.897 0.538 CB 1.484 40 residues pruned to eliminate duplicates Z: 35 26.413 2.044 0.910 0.469 0.853 0.559 CB 1.404 35 residues pruned to eliminate duplicates Z: 40 19.781 2.107 0.645 0.483 0.795 0.538 CB 1.170 40 residues pruned to eliminate duplicates Z: 14 9.904 1.783 0.576 0.453 0.923 0.538 CB 1.111 14 residues pruned to eliminate duplicates Z: 51 31.266 2.139 0.677 0.552 0.880 0.620 CB 1.331 51 residues pruned to eliminate duplicates Z: 6 8.736 2.241 0.135 0.784 1.000 0.600 CB 1.196 6 residues pruned to eliminate duplicates Z: 10 6.602 2.035 0.304 0.450 0.889 0.556 CB 0.983 10 residues pruned to eliminate duplicates Z: 40 24.186 2.103 0.638 0.509 0.846 0.513 CB 1.317 40 residues pruned to eliminate duplicates Z: 46 24.373 2.065 0.526 0.460 0.889 0.511 CB 1.351 46 residues pruned to eliminate duplicates Z: 50 26.903 2.132 0.704 0.536 0.837 0.449 CB 1.220 50 residues pruned to eliminate duplicates Z: 17 8.843 2.076 0.110 0.486 1.000 0.500 CB 0.973 17 residues pruned to eliminate duplicates Z: 8 8.135 2.085 0.097 0.556 1.000 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 7 3.345 1.307 0.290 0.425 0.833 0.333 CB 1.050 7 residues pruned to eliminate duplicates Z: 18 11.293 1.966 0.359 0.494 0.882 0.706 CB 1.168 18 residues pruned to eliminate duplicates Z: 17 9.313 2.033 0.081 0.530 1.000 0.688 CB 1.029 17 residues pruned to eliminate duplicates Z: 50 23.141 2.078 0.526 0.475 0.837 0.469 CB 1.278 50 residues pruned to eliminate duplicates Z: 26 12.998 1.942 0.429 0.415 0.840 0.640 CB 1.219 31 residues pruned to eliminate duplicates Z: 7 7.051 1.831 0.289 0.854 1.000 1.000 CB 0.901 7 residues pruned to eliminate duplicates Z: 24 10.319 1.988 0.208 0.429 0.783 0.609 CB 1.232 24 residues pruned to eliminate duplicates Z: 23 13.913 2.019 0.269 0.453 0.909 0.591 CB 1.337 23 residues pruned to eliminate duplicates Z: 14 9.103 1.949 0.227 0.521 0.769 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 68 31.600 1.986 0.386 0.584 0.955 0.672 CB 1.354 70 residues pruned to eliminate duplicates Z: 7 4.864 1.622 0.593 0.359 0.667 0.667 CA 1.343 7 residues pruned to eliminate duplicates Z: 29 19.277 2.052 0.474 0.478 0.929 0.643 CB 1.327 29 residues pruned to eliminate duplicates Z: 6 2.110 1.690 0.747 0.288 0.600 0.200 CB 0.676 6 residues pruned to eliminate duplicates Z: 23 13.464 1.919 0.597 0.433 0.818 0.682 CB 1.227 23 residues pruned to eliminate duplicates Z: 58 30.146 1.997 0.626 0.504 0.930 0.579 CB 1.317 58 residues pruned to eliminate duplicates Z: 50 24.850 2.012 0.481 0.508 0.898 0.571 CB 1.316 50 residues pruned to eliminate duplicates Z: 23 14.709 1.995 0.633 0.408 0.864 0.636 CB 1.228 23 residues pruned to eliminate duplicates Z: 22 11.902 1.988 0.441 0.371 0.810 0.667 CB 1.286 22 residues pruned to eliminate duplicates Z: 11 11.143 1.903 0.750 0.305 1.000 0.400 CB 1.314 11 residues pruned to eliminate duplicates Z: 69 30.295 1.980 0.486 0.544 0.926 0.588 CB 1.291 69 residues pruned to eliminate duplicates Z: 61 26.067 1.985 0.476 0.486 0.900 0.567 CB 1.295 61 residues pruned to eliminate duplicates Z: 69 34.873 1.990 0.542 0.606 0.926 0.691 CB 1.346 68 residues pruned to eliminate duplicates Z: 8 5.859 2.005 0.180 0.331 0.857 0.286 CA 1.314 8 residues pruned to eliminate duplicates Z: 40 25.531 2.062 0.536 0.516 0.897 0.564 CB 1.415 40 residues pruned to eliminate duplicates Z: 41 25.468 1.983 0.479 0.581 0.925 0.675 CB 1.373 41 residues pruned to eliminate duplicates Z: 61 28.982 2.000 0.510 0.529 0.900 0.767 CB 1.337 61 residues pruned to eliminate duplicates Z: 69 27.556 1.965 0.390 0.537 0.897 0.691 CB 1.315 69 residues pruned to eliminate duplicates Z: 46 32.638 1.967 0.614 0.660 0.978 0.756 CB 1.351 46 residues pruned to eliminate duplicates Z: 57 30.700 2.049 0.562 0.507 0.929 0.643 CB 1.371 57 residues pruned to eliminate duplicates Z: 51 30.755 2.037 0.669 0.524 0.960 0.600 CB 1.300 51 residues pruned to eliminate duplicates Z: 30 22.872 2.020 0.537 0.549 0.897 0.621 CB 1.454 30 residues pruned to eliminate duplicates Z: 60 24.695 1.975 0.555 0.502 0.847 0.542 CB 1.232 60 residues pruned to eliminate duplicates Z: 48 24.401 2.012 0.377 0.575 0.915 0.574 CB 1.306 48 residues pruned to eliminate duplicates Z: 48 31.692 1.952 0.558 0.628 1.000 0.617 CB 1.346 48 residues pruned to eliminate duplicates Z: 40 28.893 2.038 0.691 0.571 0.897 0.692 CB 1.397 40 residues pruned to eliminate duplicates Z: 30 28.527 2.013 0.758 0.586 1.000 0.655 CB 1.377 30 residues pruned to eliminate duplicates Z: 47 31.795 1.993 0.556 0.628 0.978 0.674 CB 1.370 47 residues pruned to eliminate duplicates Z: 24 16.322 1.968 0.468 0.449 0.870 0.609 CB 1.428 24 residues pruned to eliminate duplicates Z: 61 28.725 2.015 0.473 0.537 0.917 0.583 CB 1.315 61 residues pruned to eliminate duplicates Z: 69 32.131 1.986 0.481 0.569 0.941 0.706 CB 1.317 69 residues pruned to eliminate duplicates Z: 52 31.362 2.052 0.607 0.547 0.961 0.686 CB 1.325 52 residues pruned to eliminate duplicates Z: 28 16.524 1.889 0.368 0.479 0.963 0.593 CB 1.306 28 residues pruned to eliminate duplicates Z: 15 17.390 2.030 0.690 0.481 0.929 0.571 CB 1.487 15 residues pruned to eliminate duplicates Z: 44 28.434 2.041 0.473 0.626 0.953 0.698 CB 1.344 44 residues pruned to eliminate duplicates Z: 67 32.051 1.991 0.583 0.586 0.909 0.652 CB 1.268 67 residues pruned to eliminate duplicates Z: 27 18.108 1.958 0.571 0.505 0.885 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 26 19.307 1.993 0.500 0.482 1.000 0.560 CB 1.315 26 residues pruned to eliminate duplicates Z: 49 30.222 1.978 0.522 0.633 0.958 0.688 CB 1.335 49 residues pruned to eliminate duplicates Z: 26 16.316 1.922 0.538 0.445 0.920 0.640 CB 1.270 26 residues pruned to eliminate duplicates Z: 24 17.330 1.969 0.633 0.400 0.913 0.478 CB 1.368 24 residues pruned to eliminate duplicates Z: 27 11.445 1.867 0.412 0.388 0.846 0.538 CB 1.133 27 residues pruned to eliminate duplicates Z: 46 29.361 1.956 0.563 0.679 0.978 0.644 CB 1.242 46 residues pruned to eliminate duplicates Z: 28 18.024 1.938 0.453 0.522 0.926 0.667 CB 1.302 28 residues pruned to eliminate duplicates Z: 34 16.721 1.898 0.291 0.581 0.909 0.697 CB 1.208 34 residues pruned to eliminate duplicates Z: 41 24.086 1.967 0.544 0.603 0.900 0.675 CB 1.263 41 residues pruned to eliminate duplicates Z: 65 21.816 1.898 0.486 0.435 0.859 0.594 CB 1.204 65 residues pruned to eliminate duplicates Z: 17 14.017 1.833 0.274 0.777 0.938 0.812 CB 1.254 17 residues pruned to eliminate duplicates Z: 33 21.802 1.932 0.468 0.595 0.938 0.750 CB 1.323 33 residues pruned to eliminate duplicates Z: 65 27.974 1.976 0.550 0.526 0.875 0.562 CB 1.272 65 residues pruned to eliminate duplicates Z: 13 14.026 1.880 0.568 0.798 1.000 0.750 CB 1.059 13 residues pruned to eliminate duplicates Z: 48 26.999 1.931 0.605 0.616 0.915 0.553 CB 1.245 48 residues pruned to eliminate duplicates Z: 19 15.746 1.801 0.552 0.801 0.944 0.722 CB 1.081 19 residues pruned to eliminate duplicates Z: 19 19.332 1.801 1.039 0.881 0.944 0.500 CB 0.952 19 residues pruned to eliminate duplicates Z: 19 15.681 1.736 0.772 0.713 0.944 0.389 CB 1.049 19 residues pruned to eliminate duplicates Z: 20 14.946 1.770 0.666 0.669 0.947 0.316 CB 1.050 20 residues pruned to eliminate duplicates Z: 14 17.283 1.821 0.769 0.829 1.000 0.846 CB 1.120 15 residues pruned to eliminate duplicates Z: 18 21.889 2.012 0.335 0.861 1.000 0.765 CA 1.452 17 residues pruned to eliminate duplicates Z: 17 24.449 2.133 0.453 0.814 0.938 0.875 CA 1.601 18 residues pruned to eliminate duplicates Z: 18 25.963 2.053 0.704 0.792 0.882 0.529 CA 1.579 17 residues pruned to eliminate duplicates Z: 17 25.156 2.033 0.629 0.836 1.000 0.750 CA 1.421 17 residues pruned to eliminate duplicates Z: 16 29.168 2.170 0.557 0.866 1.000 0.733 CA 1.632 17 residues pruned to eliminate duplicates Z: 17 24.828 2.062 0.434 0.851 1.000 0.750 CA 1.553 17 residues pruned to eliminate duplicates Z: 27 22.604 1.958 0.429 0.688 0.962 0.769 CB 1.386 27 residues pruned to eliminate duplicates Z: 26 23.916 1.988 0.347 0.726 1.000 0.880 CB 1.457 26 residues pruned to eliminate duplicates Z: 16 28.264 2.203 0.589 0.841 0.933 0.800 CA 1.665 16 residues pruned to eliminate duplicates Z: 20 25.535 2.073 0.612 0.730 0.895 0.579 CB 1.592 20 residues pruned to eliminate duplicates Z: 27 24.590 2.004 0.533 0.710 0.923 0.769 CB 1.405 18 residues pruned to eliminate duplicates Z: 17 27.708 2.047 0.636 0.846 1.000 0.750 CA 1.537 17 residues pruned to eliminate duplicates Z: 19 25.811 2.112 0.652 0.712 0.889 0.611 CA 1.619 19 residues pruned to eliminate duplicates Z: 29 23.846 1.892 0.585 0.672 0.964 0.679 CB 1.329 28 residues pruned to eliminate duplicates Z: 19 22.706 1.993 0.600 0.738 0.889 0.667 CA 1.524 19 residues pruned to eliminate duplicates Z: 27 25.831 1.992 0.723 0.692 0.923 0.654 CB 1.342 27 residues pruned to eliminate duplicates Z: 26 23.252 1.992 0.616 0.697 0.880 0.640 CB 1.372 26 residues pruned to eliminate duplicates Z: 24 16.887 1.839 0.387 0.511 0.913 0.565 CB 1.496 24 residues pruned to eliminate duplicates Z: 23 13.791 1.888 0.498 0.485 0.773 0.409 CB 1.366 23 residues pruned to eliminate duplicates Z: 27 17.501 2.116 0.563 0.519 0.808 0.615 CB 1.260 27 residues pruned to eliminate duplicates Z: 37 22.417 2.237 0.455 0.461 0.861 0.528 CB 1.387 37 residues pruned to eliminate duplicates Z: 41 19.550 2.140 0.522 0.417 0.800 0.425 CB 1.293 41 residues pruned to eliminate duplicates Z: 86 48.176 2.231 0.528 0.647 0.894 0.647 CB 1.495 86 residues pruned to eliminate duplicates Z: 48 25.378 2.035 0.629 0.487 0.851 0.447 CB 1.329 48 residues pruned to eliminate duplicates Z: 14 21.520 2.105 0.652 0.705 0.923 0.538 CB 1.543 14 residues pruned to eliminate duplicates Z: 17 21.555 2.245 0.490 0.662 0.875 0.750 CB 1.585 17 residues pruned to eliminate duplicates Z: 98 54.597 2.192 0.613 0.644 0.918 0.608 CB 1.494 113 residues pruned to eliminate duplicates Z: 11 19.655 2.205 0.311 0.863 1.000 0.900 CB 1.576 11 residues pruned to eliminate duplicates Z: 25 20.777 2.185 0.618 0.524 0.875 0.458 CB 1.339 25 residues pruned to eliminate duplicates Z: 33 26.970 2.104 0.728 0.565 0.875 0.562 CB 1.407 33 residues pruned to eliminate duplicates Z: 36 27.595 2.220 0.629 0.492 0.914 0.486 CB 1.423 36 residues pruned to eliminate duplicates Z: 17 20.669 2.140 0.823 0.648 0.750 0.562 CB 1.538 17 residues pruned to eliminate duplicates Z: 76 43.051 2.254 0.473 0.559 0.920 0.613 CB 1.536 76 residues pruned to eliminate duplicates Z: 40 22.180 2.121 0.663 0.467 0.821 0.462 CB 1.269 40 residues pruned to eliminate duplicates Z: 37 26.271 2.211 0.758 0.487 0.778 0.444 CB 1.468 37 residues pruned to eliminate duplicates Z: 38 22.088 2.172 0.565 0.459 0.838 0.514 CB 1.331 38 residues pruned to eliminate duplicates Z: 36 25.939 2.203 0.768 0.474 0.857 0.543 CB 1.348 36 residues pruned to eliminate duplicates Z: 40 21.831 2.182 0.450 0.491 0.821 0.513 CB 1.358 40 residues pruned to eliminate duplicates Z: 46 31.716 2.051 0.785 0.484 0.978 0.467 CB 1.343 46 residues pruned to eliminate duplicates Z: 74 52.937 2.318 0.569 0.674 0.918 0.753 CB 1.581 74 residues pruned to eliminate duplicates Z: 38 25.383 2.152 0.680 0.438 0.865 0.595 CB 1.422 38 residues pruned to eliminate duplicates Z: 44 30.118 2.109 0.726 0.524 0.884 0.465 CB 1.394 44 residues pruned to eliminate duplicates Z: 35 30.631 2.262 0.667 0.522 0.941 0.676 CB 1.448 35 residues pruned to eliminate duplicates Z: 86 55.923 2.272 0.596 0.677 0.929 0.694 CB 1.530 86 residues pruned to eliminate duplicates Z: 102 58.026 2.181 0.708 0.664 0.901 0.594 CB 1.478 102 residues pruned to eliminate duplicates Z: 7 8.504 1.783 0.623 0.547 1.000 1.000 CB 1.146 7 residues pruned to eliminate duplicates Z: 42 25.805 2.157 0.771 0.453 0.854 0.634 CB 1.298 42 residues pruned to eliminate duplicates Z: 75 51.730 2.241 0.632 0.674 0.892 0.649 CB 1.569 75 residues pruned to eliminate duplicates Z: 37 23.671 2.222 0.486 0.512 0.861 0.639 CB 1.370 37 residues pruned to eliminate duplicates Z: 20 20.046 2.233 0.553 0.454 0.947 0.421 CB 1.468 20 residues pruned to eliminate duplicates Z: 45 26.311 2.012 0.693 0.476 0.886 0.568 CB 1.347 45 residues pruned to eliminate duplicates Z: 92 64.067 2.233 0.792 0.669 0.923 0.703 CB 1.556 92 residues pruned to eliminate duplicates Z: 89 57.821 2.268 0.650 0.669 0.909 0.648 CB 1.549 89 residues pruned to eliminate duplicates Z: 67 49.637 2.276 0.498 0.734 0.924 0.758 CB 1.572 67 residues pruned to eliminate duplicates Z: 89 59.114 2.286 0.675 0.685 0.898 0.705 CB 1.547 89 residues pruned to eliminate duplicates Z: 75 48.573 2.280 0.621 0.652 0.865 0.703 CB 1.533 75 residues pruned to eliminate duplicates Z: 90 55.373 2.274 0.599 0.677 0.910 0.719 CB 1.508 90 residues pruned to eliminate duplicates Z: 66 48.867 2.232 0.635 0.675 0.908 0.692 CB 1.558 66 residues pruned to eliminate duplicates Z: 72 49.344 2.245 0.740 0.624 0.901 0.620 CB 1.479 72 residues pruned to eliminate duplicates Z: 66 52.096 2.281 0.676 0.696 0.908 0.723 CB 1.557 66 residues pruned to eliminate duplicates Z: 76 50.528 2.237 0.668 0.651 0.920 0.667 CB 1.477 76 residues pruned to eliminate duplicates Z: 86 53.950 2.239 0.625 0.672 0.918 0.718 CB 1.496 86 residues pruned to eliminate duplicates Z: 15 22.722 2.074 1.120 0.694 0.929 0.571 CB 1.246 15 residues pruned to eliminate duplicates Z: 86 52.479 2.227 0.651 0.641 0.882 0.635 CB 1.538 86 residues pruned to eliminate duplicates Z: 57 58.603 2.270 0.782 0.770 0.946 0.768 CB 1.610 55 residues pruned to eliminate duplicates Z: 30 39.576 2.266 0.353 0.924 1.000 0.862 CA 1.683 30 residues pruned to eliminate duplicates Z: 58 54.559 2.194 0.661 0.794 0.965 0.667 CB 1.588 58 residues pruned to eliminate duplicates Z: 87 57.169 2.283 0.701 0.646 0.895 0.721 CB 1.547 87 residues pruned to eliminate duplicates Z: 87 50.616 2.233 0.564 0.663 0.884 0.686 CB 1.521 87 residues pruned to eliminate duplicates Z: 55 48.834 2.321 0.594 0.686 0.907 0.741 CB 1.669 55 residues pruned to eliminate duplicates Z: 65 41.023 2.299 0.596 0.597 0.875 0.656 CB 1.455 65 residues pruned to eliminate duplicates Z: 67 52.855 2.281 0.737 0.696 0.909 0.742 CB 1.510 67 residues pruned to eliminate duplicates Z: 101 62.028 2.219 0.763 0.659 0.930 0.670 CB 1.472 102 residues pruned to eliminate duplicates Z: 30 47.807 2.264 0.619 0.934 1.000 0.759 CB 1.689 30 residues pruned to eliminate duplicates Z: 99 62.580 2.212 0.742 0.676 0.939 0.653 CB 1.486 99 residues pruned to eliminate duplicates Z: 90 59.629 2.261 0.739 0.675 0.899 0.663 CB 1.522 90 residues pruned to eliminate duplicates Z: 46 51.058 2.255 0.717 0.740 0.978 0.844 CB 1.621 46 residues pruned to eliminate duplicates Z: 97 54.177 2.155 0.659 0.643 0.917 0.646 CB 1.477 97 residues pruned to eliminate duplicates Z: 98 59.622 2.169 0.795 0.655 0.928 0.639 CB 1.450 98 residues pruned to eliminate duplicates Z: 54 44.598 2.263 0.753 0.682 0.868 0.660 CB 1.504 54 residues pruned to eliminate duplicates Z: 96 63.603 2.231 0.830 0.647 0.916 0.589 CB 1.522 98 residues pruned to eliminate duplicates Z: 31 44.267 2.204 0.722 0.885 0.967 0.567 CB 1.591 31 residues pruned to eliminate duplicates Z: 91 66.573 2.238 0.898 0.671 0.933 0.622 CB 1.511 91 residues pruned to eliminate duplicates Z: 89 62.740 2.253 0.873 0.662 0.920 0.636 CB 1.482 89 residues pruned to eliminate duplicates Z: 91 59.280 2.239 0.836 0.680 0.889 0.544 CB 1.449 91 residues pruned to eliminate duplicates Z: 59 52.088 2.223 0.973 0.727 0.914 0.414 CB 1.390 59 residues pruned to eliminate duplicates Z: 90 65.192 2.247 0.915 0.682 0.944 0.517 CB 1.439 89 residues pruned to eliminate duplicates Z: 30 59.305 2.306 1.020 0.936 1.000 0.552 CB 1.647 30 residues pruned to eliminate duplicates Z: 85 56.257 2.188 0.869 0.624 0.917 0.512 CB 1.456 85 residues pruned to eliminate duplicates Z: 36 46.081 2.206 0.915 0.782 0.914 0.486 CB 1.572 36 residues pruned to eliminate duplicates Z: 67 60.896 2.279 0.866 0.722 0.955 0.530 CB 1.511 67 residues pruned to eliminate duplicates Z: 73 58.754 2.278 0.842 0.677 0.944 0.611 CB 1.484 73 residues pruned to eliminate duplicates Z: 87 62.214 2.226 0.854 0.661 0.930 0.605 CB 1.505 87 residues pruned to eliminate duplicates Z: 68 55.867 2.274 0.866 0.715 0.881 0.552 CB 1.504 68 residues pruned to eliminate duplicates Z: 20 17.743 1.899 0.704 0.713 0.789 0.632 CB 1.313 20 residues pruned to eliminate duplicates Z: 88 60.745 2.289 0.804 0.681 0.897 0.529 CB 1.489 88 residues pruned to eliminate duplicates Z: 32 40.055 2.089 0.808 0.781 0.935 0.581 CB 1.590 32 residues pruned to eliminate duplicates Z: 36 48.513 2.169 1.005 0.795 0.914 0.486 CB 1.593 37 residues pruned to eliminate duplicates Z: 16 24.209 1.980 0.730 0.901 0.933 0.667 CB 1.396 16 residues pruned to eliminate duplicates Z: 16 22.642 1.932 0.955 0.783 0.867 0.667 CA 1.392 16 residues pruned to eliminate duplicates Z: 16 25.793 2.029 0.825 0.781 1.000 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 18 20.083 1.899 0.817 0.665 0.882 0.529 CB 1.373 18 residues pruned to eliminate duplicates Z: 90 66.081 2.260 0.910 0.679 0.921 0.573 CB 1.494 90 residues pruned to eliminate duplicates Z: 96 63.144 2.210 0.868 0.646 0.926 0.547 CB 1.478 96 residues pruned to eliminate duplicates Z: 56 61.432 2.262 0.958 0.792 0.945 0.436 CB 1.531 56 residues pruned to eliminate duplicates Z: 85 59.625 2.276 0.878 0.661 0.893 0.560 CB 1.468 85 residues pruned to eliminate duplicates Z: 13 31.443 2.164 1.019 0.849 1.000 0.667 CB 1.540 13 residues pruned to eliminate duplicates Z: 15 23.226 2.059 0.806 0.890 0.929 0.786 CB 1.294 14 residues pruned to eliminate duplicates 1036 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 9 D: 11 E: 6 F: 7 G: 7 H: 37 I: 18 J: 16 K: 18 L: 13 M: 51 N: 88 O: 227 P: 23 Q: 23 R: 15 S: 13 T: 50 U: 83 V: 17 W: 47 X: 50 Y: 68 Z: 26 Z: 99 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.83 % ------------------------------------------------------------------------------ Global autotracing cycle 11 Phases from autotracing cycle 10 used as input for final density modification = 0.300, Contrast = 0.507, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.671, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.674, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.679, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.685, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.686, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.686, Connect. = 0.786 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.56 - 3.62 - 3.16 - 2.87 - 2.66 - 2.50 - 2.38 - 2.27 - 2.19 - 2.11 0.721 0.729 0.677 0.649 0.646 0.638 0.640 0.584 0.592 0.543 0.852 0.872 0.841 0.828 0.833 0.833 0.856 0.840 0.854 0.783 N 10070 9996 10032 10061 10242 10280 9641 10740 9128 9958 Estimated mean FOM = 0.642 Pseudo-free CC = 66.98 % Best trace (cycle 10 with CC 31.83%) was saved as ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.6 - Setup, data input and phasing 51.6 - FFTs and peak-searches 109.4 - Sphere of influence 2.3 - Rest of density modification 0.0 - Alpha-helix search 7361.3 - Tripeptide search 38865.6 - Chain tracing 0.0 - NCS analysis 217.3 - B-value refinement for trace 1.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 11:42:53 Total time: 46610.62 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 785.62 Used memory is bytes: 60036144