null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:37:51 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: ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.ins Phases from ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.phi Native data from ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.hkl Listing output to ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.lst Phases output to ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.phs Poly-Ala trace output to ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 48134 Reflections read from file ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.phi 48134 Reflections read from file ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.hkl 48134 Unique data, highest resolution = 1.900 Angstroms Anisotropic scaling: intensities multiplied by 0.000528h^2 +0.000198k^2 -0.000156l^2 +0.000000kl +0.000000hl +0.000000hk 175 Reflections with d > 2.100 and 0 in range 2.100 > d > 1.900 added Density sharpening factor set to 0.90 Fourier grid = 128 x 128 x 50 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.718 = 0.300, Contrast = 0.263, Connect. = 0.669 for dens.mod. cycle 1 = 0.300, Contrast = 0.353, Connect. = 0.673 for dens.mod. cycle 2 = 0.300, Contrast = 0.490, Connect. = 0.723 for dens.mod. cycle 3 = 0.300, Contrast = 0.550, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.587, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.610, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.626, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.637, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.646, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.652, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2657 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 610 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 39.505 2.345 1.078 0.937 1.000 0.917 CB 1.629 B: 13 35.273 2.371 0.840 0.922 1.000 0.833 CB 1.641 13 residues pruned to eliminate duplicates C: 10 18.764 2.032 1.294 0.613 0.778 0.667 CB 1.550 D: 14 23.149 2.184 0.566 0.896 0.923 0.846 CA 1.457 14 residues pruned to eliminate duplicates E: 11 9.351 1.938 0.908 0.324 0.800 0.500 CB 1.214 F: 20 19.792 2.104 0.962 0.520 0.895 0.474 CB 1.205 9 residues pruned to eliminate duplicates G: 17 17.247 2.046 0.856 0.496 0.875 0.625 CB 1.303 10 residues pruned to eliminate duplicates H: 14 29.499 2.233 0.849 0.916 0.923 0.846 CB 1.516 14 residues pruned to eliminate duplicates I: 12 17.378 2.167 1.093 0.509 0.818 0.636 CB 1.399 6 residues pruned to eliminate duplicates J: 25 34.021 2.039 1.273 0.912 0.833 0.667 CB 1.273 K: 10 15.965 2.101 0.817 0.525 0.778 0.667 C 1.749 10 residues pruned to eliminate duplicates L: 14 20.115 2.155 0.428 0.861 0.923 0.769 CA 1.443 14 residues pruned to eliminate duplicates M: 14 10.999 1.879 0.598 0.468 0.846 0.462 CB 1.240 N: 25 35.373 1.976 1.039 0.913 0.958 0.917 CB 1.324 27 residues pruned to eliminate duplicates O: 21 25.611 2.140 1.210 0.610 0.800 0.550 CB 1.363 16 residues pruned to eliminate duplicates P: 17 17.651 2.077 0.959 0.474 0.750 0.500 CB 1.484 17 residues pruned to eliminate duplicates Q: 23 35.394 2.338 0.999 0.682 0.909 0.636 CB 1.502 13 residues pruned to eliminate duplicates R: 24 17.521 1.932 0.937 0.536 0.783 0.348 CB 1.204 S: 14 25.744 2.169 1.197 0.553 1.000 0.385 CB 1.422 15 residues pruned to eliminate duplicates T: 17 17.429 2.043 0.887 0.411 0.875 0.562 CB 1.418 17 residues pruned to eliminate duplicates U: 25 41.573 2.097 1.187 0.885 0.917 0.750 CA 1.458 V: 7 9.898 1.988 1.120 0.540 0.667 0.667 CB 1.383 W: 25 40.124 2.100 1.078 0.914 1.000 0.875 CB 1.327 25 residues pruned to eliminate duplicates X: 25 36.102 2.035 1.012 0.874 0.958 0.667 CA 1.367 25 residues pruned to eliminate duplicates Y: 25 29.273 2.262 0.650 0.664 0.917 0.667 CB 1.501 25 residues pruned to eliminate duplicates Z: 20 14.168 1.963 0.818 0.373 0.895 0.632 CB 1.167 7 residues pruned to eliminate duplicates Z: 11 6.656 1.787 0.287 0.421 0.700 0.600 C 1.420 Z: 14 34.192 2.243 0.890 0.921 1.000 0.692 CB 1.574 14 residues pruned to eliminate duplicates Z: 13 16.935 2.054 1.105 0.500 0.917 0.500 CB 1.234 13 residues pruned to eliminate duplicates Z: 34 34.692 2.035 1.085 0.655 0.879 0.485 CB 1.402 Z: 21 17.868 2.008 0.760 0.474 0.800 0.650 CB 1.451 Z: 14 23.238 2.185 0.479 0.926 1.000 0.769 CB 1.399 14 residues pruned to eliminate duplicates Z: 22 31.212 2.332 0.924 0.679 0.857 0.619 CB 1.502 24 residues pruned to eliminate duplicates Z: 17 13.479 1.729 0.602 0.708 0.875 0.625 CB 1.151 Z: 34 23.987 1.980 0.737 0.503 0.848 0.515 CB 1.427 14 residues pruned to eliminate duplicates Z: 11 17.169 2.015 0.795 0.642 1.000 0.700 CB 1.314 11 residues pruned to eliminate duplicates Z: 9 18.744 2.084 0.737 0.658 1.000 0.625 CB 1.581 9 residues pruned to eliminate duplicates Z: 25 56.689 2.334 1.314 0.841 1.000 0.875 CB 1.597 18 residues pruned to eliminate duplicates Z: 15 16.128 2.005 1.116 0.405 0.786 0.643 CB 1.429 16 residues pruned to eliminate duplicates Z: 18 14.733 2.052 0.815 0.507 0.706 0.647 CB 1.350 18 residues pruned to eliminate duplicates Z: 28 17.206 1.918 0.518 0.600 0.889 0.407 CB 1.164 11 residues pruned to eliminate duplicates Z: 11 8.841 1.918 0.819 0.490 0.900 0.500 CB 0.899 11 residues pruned to eliminate duplicates Z: 14 18.887 2.099 0.946 0.539 0.846 0.615 CB 1.459 14 residues pruned to eliminate duplicates Z: 19 21.863 2.046 0.971 0.521 0.833 0.611 CB 1.502 19 residues pruned to eliminate duplicates Z: 36 26.455 2.011 0.613 0.578 0.857 0.457 CB 1.492 31 residues pruned to eliminate duplicates Z: 20 13.649 1.760 0.739 0.458 0.789 0.474 CB 1.353 Z: 27 31.281 1.926 0.690 0.911 0.962 0.808 CA 1.389 Z: 27 41.622 1.958 1.146 0.944 1.000 0.692 CB 1.346 32 residues pruned to eliminate duplicates Z: 12 19.153 1.915 0.485 0.862 1.000 0.727 O 1.491 12 residues pruned to eliminate duplicates Z: 24 32.037 2.012 0.963 0.871 0.957 0.739 CB 1.290 24 residues pruned to eliminate duplicates Z: 25 46.422 2.065 1.230 0.947 0.958 0.792 CB 1.484 27 residues pruned to eliminate duplicates Z: 6 8.036 1.743 1.009 0.485 0.800 0.800 CB 1.302 Z: 15 18.257 2.007 0.867 0.620 0.857 0.714 CB 1.357 15 residues pruned to eliminate duplicates Z: 13 22.274 2.228 0.910 0.613 0.917 0.500 CB 1.481 13 residues pruned to eliminate duplicates Z: 47 45.308 2.103 1.176 0.660 0.870 0.478 CB 1.448 25 residues pruned to eliminate duplicates Z: 24 36.546 2.117 0.903 0.892 0.957 0.870 CB 1.420 24 residues pruned to eliminate duplicates Z: 13 15.138 2.067 0.973 0.417 0.750 0.583 CB 1.559 13 residues pruned to eliminate duplicates Z: 49 43.846 2.079 1.221 0.641 0.896 0.542 CB 1.341 49 residues pruned to eliminate duplicates Z: 24 43.911 2.089 1.227 0.912 0.957 0.739 CB 1.458 24 residues pruned to eliminate duplicates Z: 12 14.340 2.018 0.758 0.577 0.818 0.545 CB 1.384 12 residues pruned to eliminate duplicates Z: 25 43.698 2.004 1.024 0.924 1.000 0.625 CA 1.545 24 residues pruned to eliminate duplicates Z: 11 34.711 2.421 0.924 0.912 1.000 0.800 CB 1.669 11 residues pruned to eliminate duplicates Z: 27 39.298 1.979 0.993 0.884 1.000 0.731 CA 1.412 26 residues pruned to eliminate duplicates Z: 13 18.626 1.912 1.167 0.551 0.833 0.500 CA 1.481 13 residues pruned to eliminate duplicates Z: 13 18.394 1.835 0.446 0.858 1.000 0.750 CB 1.474 13 residues pruned to eliminate duplicates Z: 14 14.656 2.122 0.994 0.436 0.769 0.462 CB 1.334 14 residues pruned to eliminate duplicates Z: 37 31.712 2.001 0.837 0.597 0.944 0.639 CB 1.387 37 residues pruned to eliminate duplicates Z: 22 36.932 2.152 1.060 0.910 0.952 0.857 CB 1.354 22 residues pruned to eliminate duplicates Z: 13 16.116 2.038 1.043 0.509 0.750 0.583 CB 1.476 13 residues pruned to eliminate duplicates Z: 24 46.300 2.166 1.233 0.919 0.957 0.783 CB 1.471 24 residues pruned to eliminate duplicates Z: 25 38.238 2.017 0.762 0.961 1.000 0.917 CA 1.503 25 residues pruned to eliminate duplicates Z: 15 11.601 1.811 0.785 0.521 0.714 0.571 CB 1.315 15 residues pruned to eliminate duplicates Z: 25 19.274 1.979 0.928 0.469 0.833 0.583 CB 1.278 24 residues pruned to eliminate duplicates Z: 7 10.496 2.224 0.556 0.672 0.667 0.667 CA 1.585 7 residues pruned to eliminate duplicates Z: 13 38.675 2.336 1.155 0.922 1.000 0.833 CB 1.559 13 residues pruned to eliminate duplicates Z: 27 40.217 1.954 1.131 0.911 0.962 0.731 CB 1.396 27 residues pruned to eliminate duplicates Z: 13 18.404 2.045 1.323 0.537 0.917 0.500 CB 1.176 13 residues pruned to eliminate duplicates Z: 7 10.899 1.946 1.110 0.541 0.833 0.833 CB 1.249 7 residues pruned to eliminate duplicates Z: 27 35.021 2.033 0.800 0.898 1.000 0.692 CA 1.343 27 residues pruned to eliminate duplicates Z: 12 15.354 1.866 0.729 0.893 0.818 0.727 CB 1.259 Z: 19 33.992 2.094 1.128 0.931 1.000 0.889 CB 1.257 19 residues pruned to eliminate duplicates Z: 14 19.228 2.043 1.011 0.562 0.846 0.692 CB 1.445 14 residues pruned to eliminate duplicates Z: 31 42.354 2.225 1.246 0.711 0.933 0.867 CB 1.369 34 residues pruned to eliminate duplicates Z: 13 20.053 1.948 0.669 0.787 0.917 0.583 CB 1.509 13 residues pruned to eliminate duplicates Z: 21 16.253 1.975 1.048 0.359 0.750 0.500 CB 1.394 19 residues pruned to eliminate duplicates Z: 12 13.087 1.943 0.940 0.414 0.727 0.636 CB 1.575 12 residues pruned to eliminate duplicates Z: 22 16.007 1.828 0.910 0.453 0.810 0.333 CB 1.298 46 residues pruned to eliminate duplicates Z: 26 40.124 2.001 1.041 0.915 1.000 0.640 CA 1.389 26 residues pruned to eliminate duplicates Z: 26 34.437 1.991 1.174 0.903 0.920 0.760 CB 1.232 26 residues pruned to eliminate duplicates Z: 26 41.578 2.026 0.963 0.925 0.960 0.760 CB 1.529 26 residues pruned to eliminate duplicates Z: 22 35.093 1.956 0.877 0.942 1.000 0.952 CA 1.446 22 residues pruned to eliminate duplicates Z: 24 12.426 1.804 0.624 0.393 0.783 0.522 CB 1.266 21 residues pruned to eliminate duplicates Z: 24 31.287 2.301 0.689 0.715 0.913 0.739 CB 1.513 24 residues pruned to eliminate duplicates Z: 28 33.885 1.872 0.799 0.920 1.000 0.852 CA 1.363 28 residues pruned to eliminate duplicates Z: 13 12.158 2.051 0.922 0.363 0.833 0.417 CB 1.238 11 residues pruned to eliminate duplicates Z: 30 45.927 2.233 1.382 0.733 0.931 0.724 CB 1.398 30 residues pruned to eliminate duplicates Z: 26 35.467 2.011 0.975 0.863 0.920 0.680 CA 1.424 26 residues pruned to eliminate duplicates Z: 10 16.941 1.958 0.434 0.844 1.000 0.667 CB 1.496 10 residues pruned to eliminate duplicates Z: 12 13.293 1.976 1.098 0.551 0.727 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 54 46.958 2.157 1.194 0.577 0.868 0.585 CB 1.457 56 residues pruned to eliminate duplicates Z: 8 6.931 1.819 0.295 0.408 0.857 0.571 CA 1.429 Z: 27 38.520 1.940 0.816 0.914 1.000 0.962 CA 1.516 27 residues pruned to eliminate duplicates Z: 11 14.032 2.007 0.528 0.489 0.900 0.700 CB 1.626 19 residues pruned to eliminate duplicates Z: 20 11.705 1.793 0.753 0.342 0.842 0.263 CB 1.206 20 residues pruned to eliminate duplicates Z: 11 12.049 2.081 0.437 0.549 0.800 0.400 CA 1.518 11 residues pruned to eliminate duplicates Z: 14 32.319 2.246 1.019 0.925 0.923 0.692 CB 1.502 14 residues pruned to eliminate duplicates Z: 15 14.102 1.692 0.424 0.856 0.929 0.714 CA 1.242 15 residues pruned to eliminate duplicates Z: 27 43.823 1.941 1.042 0.941 1.000 0.923 CA 1.504 26 residues pruned to eliminate duplicates Z: 7 11.403 1.895 1.089 0.539 0.833 0.833 CA 1.358 7 residues pruned to eliminate duplicates Z: 12 12.197 1.930 0.737 0.571 0.727 0.727 CB 1.409 Z: 47 30.585 2.008 0.592 0.564 0.891 0.565 CB 1.487 47 residues pruned to eliminate duplicates Z: 25 47.509 2.116 1.395 0.900 0.958 0.583 CB 1.427 25 residues pruned to eliminate duplicates Z: 29 17.556 1.854 0.445 0.609 0.857 0.500 CA 1.303 21 residues pruned to eliminate duplicates Z: 20 17.537 1.891 0.982 0.375 0.842 0.579 CA 1.457 20 residues pruned to eliminate duplicates Z: 8 9.864 1.890 0.790 0.636 0.714 0.571 CA 1.358 8 residues pruned to eliminate duplicates Z: 17 16.724 2.051 0.629 0.462 0.875 0.625 CB 1.488 17 residues pruned to eliminate duplicates Z: 11 11.837 1.842 0.529 0.503 0.800 0.600 C 1.657 11 residues pruned to eliminate duplicates Z: 27 26.755 1.957 0.684 0.826 0.923 0.577 CA 1.301 27 residues pruned to eliminate duplicates Z: 11 17.323 1.872 0.536 0.914 1.000 0.800 CA 1.348 10 residues pruned to eliminate duplicates Z: 8 22.881 1.890 1.837 0.697 1.000 0.857 CB 1.348 Z: 13 9.877 1.707 0.442 0.469 0.917 0.583 CB 1.305 Z: 16 12.237 1.923 0.466 0.642 0.733 0.600 CB 1.339 16 residues pruned to eliminate duplicates Z: 27 48.610 2.261 1.300 0.766 0.962 0.654 CA 1.506 27 residues pruned to eliminate duplicates Z: 27 38.972 2.049 0.853 0.887 1.000 0.885 CB 1.452 27 residues pruned to eliminate duplicates Z: 21 42.259 2.215 1.165 0.911 0.950 0.800 CB 1.470 21 residues pruned to eliminate duplicates Z: 17 18.833 1.995 0.610 0.545 0.812 0.562 N 1.728 17 residues pruned to eliminate duplicates Z: 26 41.923 2.100 1.204 0.945 0.960 0.880 CB 1.306 26 residues pruned to eliminate duplicates Z: 13 12.275 1.863 0.968 0.491 0.833 0.500 CB 1.171 13 residues pruned to eliminate duplicates Z: 12 35.238 2.330 1.142 0.919 1.000 0.727 CB 1.501 11 residues pruned to eliminate duplicates Z: 10 20.152 1.934 0.762 0.905 1.000 0.667 CA 1.404 11 residues pruned to eliminate duplicates Z: 13 32.106 2.291 0.958 0.907 0.917 0.833 CB 1.603 13 residues pruned to eliminate duplicates Z: 28 49.905 2.270 1.527 0.757 0.963 0.519 CB 1.383 28 residues pruned to eliminate duplicates Z: 9 12.961 1.882 1.002 0.612 0.875 0.750 CB 1.250 9 residues pruned to eliminate duplicates Z: 25 24.297 2.014 0.583 0.638 0.958 0.667 CB 1.425 25 residues pruned to eliminate duplicates Z: 7 4.639 1.325 0.636 0.631 0.833 0.500 CA 0.927 Z: 14 11.200 1.763 0.541 0.557 0.769 0.538 O 1.407 14 residues pruned to eliminate duplicates Z: 11 9.379 1.872 0.816 0.468 0.800 0.500 CB 1.127 11 residues pruned to eliminate duplicates Z: 52 46.148 2.081 1.107 0.647 0.902 0.549 CB 1.425 50 residues pruned to eliminate duplicates Z: 27 38.221 1.960 1.009 0.912 0.962 0.808 CB 1.402 27 residues pruned to eliminate duplicates Z: 10 12.173 1.908 1.479 0.627 0.667 0.667 CB 1.141 10 residues pruned to eliminate duplicates Z: 15 19.987 1.794 0.600 0.891 1.000 0.714 CA 1.338 12 residues pruned to eliminate duplicates Z: 26 37.095 1.934 0.847 0.929 1.000 0.920 CA 1.453 26 residues pruned to eliminate duplicates Z: 12 23.484 2.092 1.151 0.622 0.818 0.727 CB 1.714 12 residues pruned to eliminate duplicates Z: 11 9.445 1.910 0.580 0.445 0.900 0.400 CB 1.164 Z: 25 40.703 2.029 1.049 0.943 0.958 0.792 CB 1.445 25 residues pruned to eliminate duplicates Z: 25 36.036 1.998 1.164 0.907 0.958 0.833 CB 1.261 25 residues pruned to eliminate duplicates Z: 21 42.897 2.196 1.289 0.901 0.950 0.800 CB 1.433 21 residues pruned to eliminate duplicates Z: 9 15.463 1.836 1.123 0.640 0.875 0.750 CA 1.407 9 residues pruned to eliminate duplicates Z: 10 15.254 2.093 1.088 0.662 0.778 0.667 CB 1.288 9 residues pruned to eliminate duplicates Z: 50 50.923 2.096 1.110 0.679 0.959 0.776 CB 1.455 44 residues pruned to eliminate duplicates Z: 27 34.963 1.998 0.889 0.885 0.962 0.769 CA 1.364 27 residues pruned to eliminate duplicates Z: 26 43.516 1.966 1.027 0.933 1.000 0.880 CB 1.525 26 residues pruned to eliminate duplicates Z: 25 40.288 2.066 1.030 0.901 1.000 0.667 CA 1.399 25 residues pruned to eliminate duplicates Z: 40 39.697 2.064 1.042 0.756 0.923 0.692 CB 1.300 40 residues pruned to eliminate duplicates Z: 26 40.447 2.002 1.086 0.890 0.960 0.800 CB 1.452 26 residues pruned to eliminate duplicates Z: 26 36.626 2.002 0.848 0.900 1.000 0.800 CA 1.415 26 residues pruned to eliminate duplicates Z: 24 39.655 2.025 1.285 0.935 0.957 0.522 CB 1.302 24 residues pruned to eliminate duplicates Z: 10 17.315 1.831 0.703 0.814 1.000 0.889 CB 1.409 9 residues pruned to eliminate duplicates Z: 14 22.446 2.079 0.552 0.904 1.000 1.000 CB 1.374 14 residues pruned to eliminate duplicates Z: 28 36.762 1.922 1.027 0.886 1.000 0.667 CA 1.311 28 residues pruned to eliminate duplicates Z: 14 13.778 1.739 0.523 0.743 0.923 0.692 CA 1.257 14 residues pruned to eliminate duplicates Z: 10 10.209 1.975 0.634 0.410 0.889 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 27 35.857 1.946 0.847 0.905 0.962 0.692 CA 1.449 27 residues pruned to eliminate duplicates Z: 56 44.629 2.058 1.074 0.612 0.927 0.527 CB 1.367 51 residues pruned to eliminate duplicates Z: 11 13.056 2.047 0.471 0.500 0.900 0.600 CB 1.524 Z: 27 39.891 2.013 1.102 0.887 0.962 0.808 CB 1.386 27 residues pruned to eliminate duplicates Z: 26 41.973 1.962 1.034 0.941 1.000 0.760 CB 1.460 26 residues pruned to eliminate duplicates Z: 10 4.755 1.936 0.028 0.387 0.556 0.333 CB 1.616 10 residues pruned to eliminate duplicates Z: 26 36.247 1.963 0.964 0.875 0.960 0.720 CB 1.424 26 residues pruned to eliminate duplicates Z: 28 35.184 1.925 0.963 0.883 0.963 0.704 CB 1.346 28 residues pruned to eliminate duplicates Z: 21 41.116 2.180 1.068 0.921 0.950 0.950 CB 1.511 21 residues pruned to eliminate duplicates Z: 12 16.647 1.969 0.543 0.841 0.818 0.545 CA 1.506 12 residues pruned to eliminate duplicates Z: 14 17.296 1.792 0.558 0.893 0.923 0.846 CA 1.336 14 residues pruned to eliminate duplicates Z: 14 17.123 1.838 0.400 0.881 1.000 0.615 CA 1.337 14 residues pruned to eliminate duplicates Z: 21 44.498 2.168 1.433 0.920 0.950 0.850 CB 1.399 21 residues pruned to eliminate duplicates Z: 11 4.327 1.721 -0.027 0.443 0.700 0.400 CB 1.239 Z: 26 35.591 1.998 0.853 0.864 1.000 0.680 CA 1.409 26 residues pruned to eliminate duplicates Z: 33 34.028 2.049 0.887 0.696 0.906 0.531 CB 1.435 33 residues pruned to eliminate duplicates Z: 28 37.928 1.913 0.957 0.909 0.963 0.778 CA 1.437 28 residues pruned to eliminate duplicates Z: 12 13.007 1.815 0.240 0.890 1.000 0.909 CB 1.254 12 residues pruned to eliminate duplicates Z: 8 3.320 1.752 -0.313 0.566 0.857 0.857 CB 1.141 Z: 7 7.608 1.892 0.463 0.353 1.000 0.667 CB 1.317 7 residues pruned to eliminate duplicates Z: 50 48.159 2.128 1.256 0.627 0.939 0.592 CB 1.355 54 residues pruned to eliminate duplicates Z: 9 24.500 2.153 1.129 0.801 0.875 0.750 CB 1.659 9 residues pruned to eliminate duplicates Z: 10 9.891 1.792 0.889 0.425 0.778 0.444 CB 1.353 10 residues pruned to eliminate duplicates Z: 10 12.773 2.120 0.937 0.611 0.778 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 14 19.756 1.773 0.733 0.907 1.000 0.846 CA 1.267 14 residues pruned to eliminate duplicates Z: 12 22.051 2.174 0.879 0.599 0.909 0.545 CB 1.628 12 residues pruned to eliminate duplicates Z: 24 23.076 2.032 0.679 0.690 0.870 0.522 CB 1.363 18 residues pruned to eliminate duplicates Z: 8 6.768 1.637 0.895 0.633 1.000 0.857 CB 0.728 Z: 25 14.379 1.872 0.568 0.414 0.792 0.500 CB 1.382 25 residues pruned to eliminate duplicates Z: 11 11.816 1.635 1.165 0.495 0.900 0.700 CB 1.178 11 residues pruned to eliminate duplicates Z: 26 40.002 2.023 0.899 0.927 1.000 0.640 CB 1.460 26 residues pruned to eliminate duplicates Z: 26 44.660 1.962 1.100 0.937 1.000 0.680 CB 1.509 26 residues pruned to eliminate duplicates Z: 26 14.407 1.868 0.409 0.502 0.760 0.600 CA 1.438 26 residues pruned to eliminate duplicates Z: 17 38.821 2.248 1.501 0.893 0.938 0.562 CB 1.322 17 residues pruned to eliminate duplicates Z: 24 20.051 1.991 0.611 0.626 0.870 0.609 CB 1.331 24 residues pruned to eliminate duplicates Z: 48 21.655 1.878 0.752 0.479 0.851 0.426 CB 1.152 41 residues pruned to eliminate duplicates Z: 26 37.584 1.990 0.924 0.896 1.000 0.800 CA 1.406 26 residues pruned to eliminate duplicates Z: 23 21.462 2.009 0.414 0.686 0.909 0.682 CB 1.493 23 residues pruned to eliminate duplicates Z: 27 37.956 1.987 0.897 0.907 1.000 0.538 CA 1.403 27 residues pruned to eliminate duplicates Z: 22 11.890 1.906 0.491 0.473 0.857 0.476 CA 1.094 22 residues pruned to eliminate duplicates Z: 13 14.256 1.913 0.869 0.540 0.917 0.583 CB 1.207 13 residues pruned to eliminate duplicates Z: 9 2.195 1.572 0.048 0.269 0.750 0.250 CB 0.816 Z: 12 6.503 1.699 0.642 0.389 0.636 0.364 CB 1.242 11 residues pruned to eliminate duplicates Z: 14 13.881 1.824 0.661 0.780 0.923 0.538 CA 1.075 13 residues pruned to eliminate duplicates Z: 16 17.349 1.822 0.757 0.836 1.000 0.467 CA 1.047 16 residues pruned to eliminate duplicates Z: 23 21.893 2.082 0.944 0.539 0.773 0.591 CB 1.436 26 residues pruned to eliminate duplicates Z: 22 42.054 2.126 1.225 0.928 1.000 0.857 CB 1.359 22 residues pruned to eliminate duplicates Z: 12 8.604 1.972 0.559 0.401 0.727 0.364 CB 1.288 12 residues pruned to eliminate duplicates Z: 12 10.298 1.951 0.676 0.552 0.727 0.545 CB 1.241 12 residues pruned to eliminate duplicates Z: 15 8.236 1.723 0.350 0.469 0.857 0.643 CB 1.139 Z: 24 16.697 1.837 0.634 0.643 0.913 0.522 CB 1.112 24 residues pruned to eliminate duplicates Z: 11 16.671 2.026 0.412 0.831 0.900 0.400 CB 1.538 11 residues pruned to eliminate duplicates Z: 24 40.317 2.037 1.087 0.925 0.957 0.478 CB 1.451 24 residues pruned to eliminate duplicates Z: 26 41.908 1.980 1.113 0.910 0.960 0.520 CB 1.481 26 residues pruned to eliminate duplicates Z: 45 50.188 2.145 1.248 0.709 0.886 0.545 CB 1.463 45 residues pruned to eliminate duplicates Z: 13 20.328 2.043 1.084 0.588 0.833 0.833 CB 1.520 13 residues pruned to eliminate duplicates Z: 25 42.534 2.043 1.015 0.926 1.000 0.542 CB 1.479 25 residues pruned to eliminate duplicates Z: 22 25.679 2.299 0.722 0.737 0.905 0.810 CB 1.265 22 residues pruned to eliminate duplicates Z: 6 4.702 1.815 -0.010 0.456 0.800 0.800 CB 1.531 6 residues pruned to eliminate duplicates Z: 9 12.395 1.847 1.131 0.575 0.750 0.750 CB 1.381 9 residues pruned to eliminate duplicates Z: 26 39.871 2.007 1.033 0.910 1.000 0.760 CA 1.386 26 residues pruned to eliminate duplicates Z: 28 35.930 1.900 0.930 0.879 1.000 0.667 CB 1.367 28 residues pruned to eliminate duplicates Z: 11 24.327 1.993 1.095 0.790 0.900 0.800 CB 1.587 11 residues pruned to eliminate duplicates Z: 16 16.514 1.971 0.624 0.549 1.000 0.467 CB 1.270 16 residues pruned to eliminate duplicates Z: 11 16.713 1.803 0.499 0.864 1.000 0.700 CA 1.434 11 residues pruned to eliminate duplicates Z: 13 11.360 1.845 0.682 0.526 0.833 0.583 CB 1.236 12 residues pruned to eliminate duplicates Z: 23 21.344 2.043 0.971 0.559 0.818 0.727 CB 1.305 19 residues pruned to eliminate duplicates Z: 24 40.075 2.017 1.277 0.882 0.957 0.652 CB 1.377 24 residues pruned to eliminate duplicates Z: 44 36.117 1.989 0.857 0.667 0.930 0.558 CB 1.373 44 residues pruned to eliminate duplicates Z: 9 12.770 1.777 1.330 0.585 0.750 0.625 CB 1.339 9 residues pruned to eliminate duplicates Z: 9 5.222 1.722 0.695 0.330 0.625 0.500 CB 1.219 9 residues pruned to eliminate duplicates Z: 8 2.233 1.480 0.207 0.301 0.571 0.286 N 1.032 Z: 12 9.489 1.851 0.819 0.353 0.727 0.455 CB 1.369 12 residues pruned to eliminate duplicates Z: 19 10.818 1.816 0.851 0.390 0.722 0.611 CB 1.180 23 residues pruned to eliminate duplicates Z: 6 3.731 1.634 0.467 0.357 0.800 0.400 CB 1.015 Z: 26 43.956 2.042 1.050 0.931 1.000 0.640 CA 1.468 26 residues pruned to eliminate duplicates Z: 7 5.532 1.450 0.081 0.767 1.000 1.000 N 1.136 Z: 6 4.264 1.832 0.119 0.578 0.800 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 23 15.237 1.798 0.929 0.410 0.818 0.500 CB 1.258 16 residues pruned to eliminate duplicates Z: 14 12.236 1.824 0.600 0.474 0.846 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 8 12.214 1.807 0.719 0.751 1.000 0.857 CB 1.188 Z: 22 30.453 1.906 0.805 0.930 1.000 0.952 CA 1.351 22 residues pruned to eliminate duplicates Z: 26 38.831 1.983 1.036 0.921 1.000 0.800 CA 1.354 26 residues pruned to eliminate duplicates Z: 7 6.121 1.932 -0.128 0.611 1.000 0.667 CB 1.335 Z: 26 35.065 1.959 0.864 0.919 1.000 0.840 CA 1.353 26 residues pruned to eliminate duplicates Z: 7 14.860 1.808 0.797 0.809 1.000 0.833 N 1.427 Z: 21 13.919 1.849 0.923 0.437 0.850 0.600 CB 1.099 21 residues pruned to eliminate duplicates Z: 16 15.100 1.775 0.792 0.816 1.000 0.600 CA 0.932 16 residues pruned to eliminate duplicates Z: 28 51.875 2.297 1.336 0.758 1.000 0.593 CB 1.480 28 residues pruned to eliminate duplicates Z: 22 40.365 2.133 1.221 0.925 0.952 0.524 CB 1.371 22 residues pruned to eliminate duplicates Z: 12 15.100 1.805 0.541 0.810 1.000 0.636 CA 1.250 12 residues pruned to eliminate duplicates Z: 11 8.126 1.709 0.262 0.572 0.900 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 14 17.635 1.774 0.611 0.859 0.923 0.769 CB 1.364 14 residues pruned to eliminate duplicates Z: 25 20.580 1.993 0.511 0.593 0.917 0.542 CB 1.393 25 residues pruned to eliminate duplicates Z: 6 8.259 2.028 -0.061 0.597 1.000 0.600 CB 1.769 6 residues pruned to eliminate duplicates Z: 9 7.449 1.774 0.478 0.560 0.875 0.500 CB 1.083 9 residues pruned to eliminate duplicates Z: 26 26.464 2.146 0.776 0.615 0.960 0.680 CB 1.297 26 residues pruned to eliminate duplicates Z: 11 6.475 1.675 0.256 0.503 0.800 0.700 CB 1.212 7 residues pruned to eliminate duplicates Z: 13 39.029 2.305 1.176 0.917 1.000 0.500 CB 1.585 13 residues pruned to eliminate duplicates Z: 24 16.592 1.870 0.901 0.476 0.783 0.478 CB 1.274 24 residues pruned to eliminate duplicates Z: 15 17.831 1.819 0.576 0.890 1.000 0.857 CA 1.196 15 residues pruned to eliminate duplicates Z: 27 44.092 1.935 1.289 0.940 0.962 0.577 CB 1.410 27 residues pruned to eliminate duplicates Z: 18 9.887 1.785 0.361 0.552 0.765 0.588 CB 1.226 18 residues pruned to eliminate duplicates Z: 22 26.101 2.038 0.656 0.710 0.905 0.667 CB 1.542 22 residues pruned to eliminate duplicates Z: 14 13.719 1.963 1.034 0.511 0.846 0.462 CB 1.114 14 residues pruned to eliminate duplicates Z: 14 37.008 2.258 1.141 0.924 1.000 0.615 CB 1.492 14 residues pruned to eliminate duplicates Z: 25 45.720 2.136 1.283 0.925 1.000 0.667 CB 1.343 25 residues pruned to eliminate duplicates Z: 15 19.326 2.058 1.121 0.526 0.857 0.643 CB 1.346 19 residues pruned to eliminate duplicates Z: 25 37.296 2.102 1.083 0.922 1.000 0.750 CB 1.223 25 residues pruned to eliminate duplicates Z: 21 16.217 1.853 0.778 0.438 0.900 0.600 CB 1.304 21 residues pruned to eliminate duplicates Z: 6 5.182 1.678 0.718 0.582 0.800 0.800 N 0.929 Z: 21 20.066 1.846 0.898 0.486 0.950 0.500 CB 1.367 21 residues pruned to eliminate duplicates Z: 9 7.296 1.932 0.378 0.464 0.875 0.375 CB 1.149 9 residues pruned to eliminate duplicates Z: 11 4.353 1.636 0.139 0.318 0.800 0.400 CB 1.128 11 residues pruned to eliminate duplicates Z: 14 22.889 1.758 0.909 0.919 1.000 0.846 CA 1.333 14 residues pruned to eliminate duplicates Z: 26 46.106 2.039 1.047 0.945 1.000 0.680 CB 1.529 26 residues pruned to eliminate duplicates Z: 16 18.056 1.790 0.793 0.834 1.000 0.600 CA 1.089 16 residues pruned to eliminate duplicates Z: 14 14.792 1.806 0.579 0.803 1.000 0.692 CA 1.104 14 residues pruned to eliminate duplicates Z: 19 14.016 1.799 1.068 0.391 0.778 0.667 CB 1.281 19 residues pruned to eliminate duplicates Z: 8 7.978 2.140 0.576 0.339 0.857 0.571 CA 1.243 9 residues pruned to eliminate duplicates Z: 35 40.244 2.040 1.003 0.748 0.941 0.735 CB 1.438 35 residues pruned to eliminate duplicates Z: 26 44.869 1.925 1.227 0.947 1.000 0.680 CB 1.446 26 residues pruned to eliminate duplicates Z: 6 5.043 1.837 -0.295 0.868 1.000 1.000 CB 1.272 Z: 7 5.907 1.828 -0.319 0.863 1.000 1.000 CB 1.421 6 residues pruned to eliminate duplicates Z: 10 16.523 1.860 0.955 0.674 0.889 0.778 CB 1.451 10 residues pruned to eliminate duplicates Z: 26 43.538 2.109 1.388 0.905 0.960 0.520 CB 1.282 26 residues pruned to eliminate duplicates Z: 12 7.458 1.826 0.464 0.227 0.909 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 7 6.722 1.515 0.839 0.511 0.833 0.833 CA 1.169 7 residues pruned to eliminate duplicates Z: 25 29.393 2.231 0.641 0.709 0.917 0.667 CB 1.479 25 residues pruned to eliminate duplicates Z: 19 14.542 2.039 0.839 0.387 0.778 0.611 CB 1.324 19 residues pruned to eliminate duplicates Z: 7 5.237 1.691 0.402 0.424 0.833 0.667 CB 1.171 7 residues pruned to eliminate duplicates Z: 7 5.638 1.701 0.255 0.370 1.000 0.667 CB 1.239 6 0.845 1.153 0.257 0.331 1.000 0.800 CB 0.314 ? Z: 17 14.507 2.153 0.861 0.395 0.750 0.438 CB 1.349 17 residues pruned to eliminate duplicates Z: 11 12.960 1.944 0.751 0.799 0.900 0.700 CA 1.030 11 residues pruned to eliminate duplicates Z: 26 42.580 2.022 1.087 0.935 1.000 0.760 CA 1.407 26 residues pruned to eliminate duplicates Z: 9 4.327 1.570 0.357 0.412 0.750 0.500 CB 1.049 9 residues pruned to eliminate duplicates Z: 7 4.579 1.488 0.823 0.354 0.833 0.833 CB 0.969 7 residues pruned to eliminate duplicates Z: 28 34.403 1.910 0.998 0.852 0.963 0.593 CB 1.332 28 residues pruned to eliminate duplicates Z: 7 5.466 1.806 0.028 0.549 0.833 0.667 CB 1.376 7 residues pruned to eliminate duplicates Z: 26 47.672 2.114 1.328 0.945 1.000 0.560 CB 1.341 26 residues pruned to eliminate duplicates Z: 12 9.247 1.740 0.816 0.459 0.818 0.545 CB 1.125 12 residues pruned to eliminate duplicates Z: 11 7.960 2.007 0.683 0.382 0.900 0.600 CB 0.939 11 residues pruned to eliminate duplicates Z: 13 18.912 1.937 0.976 0.571 0.917 0.500 CB 1.453 13 residues pruned to eliminate duplicates Z: 20 49.541 2.180 1.493 0.941 1.000 0.474 CB 1.450 20 residues pruned to eliminate duplicates Z: 7 4.409 1.668 -0.330 0.677 1.000 0.833 N 1.369 8 residues pruned to eliminate duplicates Z: 25 41.490 2.095 0.993 0.908 1.000 0.750 CA 1.441 25 residues pruned to eliminate duplicates Z: 10 6.189 1.589 0.980 0.203 0.778 0.556 CB 1.199 10 residues pruned to eliminate duplicates Z: 8 4.694 1.856 0.037 0.714 0.857 0.571 CB 0.886 Z: 7 7.048 1.621 0.494 0.657 0.833 0.833 CA 1.232 5 residues pruned to eliminate duplicates Z: 10 9.817 1.881 1.053 0.468 0.778 0.556 CB 1.126 6 residues pruned to eliminate duplicates Z: 11 3.839 1.662 0.186 0.427 0.600 0.400 CB 1.108 11 residues pruned to eliminate duplicates Z: 12 17.228 2.089 0.905 0.605 0.818 0.636 CB 1.444 12 residues pruned to eliminate duplicates Z: 7 3.039 1.642 0.083 0.420 0.833 0.500 N 0.910 Z: 15 8.034 1.824 0.424 0.331 0.714 0.357 CA 1.392 15 residues pruned to eliminate duplicates Z: 7 8.135 1.610 0.627 0.736 1.000 0.833 CB 1.026 7 residues pruned to eliminate duplicates Z: 14 15.244 1.882 0.472 0.572 0.923 0.769 CB 1.543 14 residues pruned to eliminate duplicates Z: 9 5.141 1.533 0.363 0.362 0.750 0.375 N 1.346 Z: 13 11.253 1.872 0.442 0.469 0.917 0.583 CB 1.354 13 residues pruned to eliminate duplicates Z: 26 23.570 2.003 0.946 0.483 0.880 0.720 CB 1.398 26 residues pruned to eliminate duplicates Z: 14 14.590 1.744 0.776 0.814 1.000 0.769 CA 0.994 14 residues pruned to eliminate duplicates Z: 19 34.633 2.431 0.988 0.768 0.889 0.722 CB 1.499 19 residues pruned to eliminate duplicates Z: 25 35.310 1.973 0.814 0.930 1.000 0.833 CA 1.409 25 residues pruned to eliminate duplicates Z: 6 2.680 1.550 -0.020 0.462 0.800 0.600 CB 1.025 Z: 21 13.563 1.887 0.366 0.596 0.900 0.350 CB 1.192 21 residues pruned to eliminate duplicates Z: 24 42.380 2.029 1.149 0.944 0.957 0.348 CB 1.467 24 residues pruned to eliminate duplicates Z: 14 15.393 1.820 0.716 0.841 0.923 0.692 CA 1.104 14 residues pruned to eliminate duplicates Z: 27 41.018 1.987 1.099 0.909 0.962 0.577 CA 1.423 27 residues pruned to eliminate duplicates Z: 22 18.723 1.804 0.563 0.725 0.952 0.571 CA 1.243 22 residues pruned to eliminate duplicates Z: 12 20.712 2.301 0.401 0.904 1.000 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 27 45.827 2.169 1.251 0.762 0.962 0.731 CB 1.517 27 residues pruned to eliminate duplicates 6 1.885 1.570 0.245 0.629 0.600 0.400 CB 0.636 ? Z: 12 17.550 2.062 1.081 0.615 0.727 0.636 CB 1.521 12 residues pruned to eliminate duplicates 7 1.704 1.108 0.660 0.361 0.667 0.500 O 0.659 ? Z: 9 4.656 1.643 0.531 0.417 0.625 0.375 CB 1.142 Z: 21 17.028 1.941 0.619 0.421 0.850 0.500 CB 1.548 21 residues pruned to eliminate duplicates Z: 10 23.911 2.012 0.789 0.757 1.000 0.889 CB 1.761 10 residues pruned to eliminate duplicates Z: 7 3.734 1.618 0.745 0.377 0.667 0.500 CA 0.923 7 residues pruned to eliminate duplicates Z: 17 17.053 1.891 0.916 0.502 0.938 0.562 CB 1.252 20 residues pruned to eliminate duplicates Z: 27 32.744 1.943 0.806 0.913 0.962 0.692 CA 1.347 27 residues pruned to eliminate duplicates Z: 9 2.939 1.471 0.076 0.359 0.750 0.500 CB 1.020 Z: 6 3.042 1.417 0.425 0.434 0.800 0.600 CB 0.901 3 residues pruned to eliminate duplicates Z: 12 8.242 1.781 0.736 0.382 0.727 0.727 CB 1.253 Z: 7 8.488 1.932 0.548 0.441 0.833 0.667 CA 1.477 8 residues pruned to eliminate duplicates Z: 9 14.377 2.025 0.991 0.667 0.875 0.750 CB 1.234 Z: 21 35.808 2.315 0.965 0.752 0.900 0.700 CB 1.563 21 residues pruned to eliminate duplicates Z: 6 7.489 1.866 1.276 0.490 0.800 0.800 CB 0.995 6 residues pruned to eliminate duplicates Z: 7 2.905 1.297 0.403 0.350 1.000 0.333 CA 0.767 Z: 9 9.095 1.699 0.996 0.422 1.000 0.625 CB 1.028 7 residues pruned to eliminate duplicates Z: 19 11.431 1.724 0.536 0.607 0.833 0.611 CB 1.102 19 residues pruned to eliminate duplicates Z: 14 15.534 1.810 0.593 0.805 1.000 0.846 CB 1.145 14 residues pruned to eliminate duplicates Z: 28 45.683 1.928 1.218 0.936 1.000 0.889 CA 1.432 28 residues pruned to eliminate duplicates Z: 7 5.516 1.688 0.518 0.343 1.000 0.667 N 1.043 Z: 6 5.125 1.534 0.267 0.445 1.000 0.400 O 1.248 Z: 6 3.683 1.604 0.236 0.643 0.800 0.800 CB 0.909 Z: 10 2.488 1.371 0.289 0.337 0.667 0.444 CB 0.840 10 residues pruned to eliminate duplicates Z: 20 13.114 1.953 0.644 0.448 0.895 0.632 CB 1.105 20 residues pruned to eliminate duplicates Z: 14 34.709 2.177 1.096 0.921 1.000 0.615 CB 1.485 23 residues pruned to eliminate duplicates Z: 6 7.801 1.470 0.574 0.787 1.000 0.800 CB 1.171 6 residues pruned to eliminate duplicates Z: 14 3.714 1.469 0.509 0.297 0.846 0.462 CB 0.689 12 residues pruned to eliminate duplicates Z: 8 4.433 1.629 0.607 0.626 0.714 0.714 N 0.796 8 residues pruned to eliminate duplicates Z: 6 2.787 1.397 0.392 0.313 0.800 0.400 CB 0.985 Z: 15 18.922 2.078 0.783 0.602 0.929 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 6 13.197 1.726 0.968 0.790 1.000 1.000 CA 1.346 8 residues pruned to eliminate duplicates Z: 14 6.230 1.822 0.274 0.465 0.692 0.462 CB 1.114 14 residues pruned to eliminate duplicates Z: 9 7.429 1.960 0.843 0.496 0.875 0.750 CB 0.834 9 residues pruned to eliminate duplicates Z: 50 46.447 2.087 1.188 0.684 0.918 0.694 CB 1.336 50 residues pruned to eliminate duplicates Z: 10 8.339 1.427 0.836 0.597 0.889 0.667 C 1.088 10 residues pruned to eliminate duplicates Z: 9 2.927 1.692 0.300 0.260 0.625 0.500 CB 0.991 9 residues pruned to eliminate duplicates Z: 13 20.136 2.095 0.567 0.895 0.917 0.833 CA 1.384 13 residues pruned to eliminate duplicates Z: 14 19.043 1.780 0.652 0.883 1.000 0.769 CA 1.299 14 residues pruned to eliminate duplicates Z: 10 28.950 2.079 1.258 0.863 1.000 0.889 CA 1.508 10 residues pruned to eliminate duplicates Z: 10 5.928 1.636 0.642 0.392 0.778 0.556 N 1.060 Z: 6 8.628 1.560 0.794 0.656 1.000 0.800 CB 1.193 6 residues pruned to eliminate duplicates Z: 7 3.355 1.547 0.209 0.307 0.833 0.667 O 1.088 Z: 6 3.825 1.299 0.344 0.765 1.000 0.800 CA 0.774 Z: 25 40.334 1.978 0.998 0.950 1.000 0.917 CB 1.437 25 residues pruned to eliminate duplicates Z: 9 6.860 1.617 0.270 0.612 0.750 0.500 N 1.416 7 residues pruned to eliminate duplicates Z: 8 5.796 1.584 0.018 0.725 0.857 0.714 CA 1.294 9 residues pruned to eliminate duplicates Z: 25 38.974 1.966 1.308 0.898 1.000 0.500 CB 1.254 25 residues pruned to eliminate duplicates Z: 8 4.998 1.751 0.212 0.505 0.857 0.571 CB 1.033 8 residues pruned to eliminate duplicates Z: 7 3.308 1.507 0.087 0.559 1.000 0.667 CB 0.779 6 1.823 1.301 0.474 0.454 0.600 0.600 CB 0.743 ? Z: 9 8.500 1.855 0.596 0.438 0.750 0.500 CB 1.442 9 residues pruned to eliminate duplicates Z: 27 29.393 1.961 0.750 0.854 0.962 0.808 CA 1.290 27 residues pruned to eliminate duplicates Z: 11 14.156 1.756 0.790 0.653 0.900 0.800 CB 1.372 Z: 79 42.288 2.002 1.049 0.545 0.859 0.513 CB 1.300 89 residues pruned to eliminate duplicates Z: 12 14.916 1.735 0.644 0.634 0.909 0.727 C 1.529 12 residues pruned to eliminate duplicates Z: 30 32.028 2.186 1.105 0.549 0.931 0.724 CB 1.323 30 residues pruned to eliminate duplicates Z: 9 5.180 1.772 0.348 0.481 0.750 0.500 CB 1.043 Z: 8 3.921 1.472 -0.053 0.533 0.857 0.429 CA 1.200 4 residues pruned to eliminate duplicates Z: 16 16.191 1.781 0.724 0.830 0.933 0.467 CA 1.097 16 residues pruned to eliminate duplicates Z: 11 8.124 1.737 0.643 0.409 0.800 0.500 CB 1.238 10 residues pruned to eliminate duplicates Z: 25 40.074 2.102 1.091 0.919 1.000 0.792 CB 1.312 25 residues pruned to eliminate duplicates Z: 6 4.343 1.813 -0.357 0.829 1.000 0.800 CB 1.253 6 residues pruned to eliminate duplicates Z: 14 18.389 1.984 0.977 0.514 1.000 0.385 CB 1.283 14 residues pruned to eliminate duplicates Z: 10 8.370 1.806 0.503 0.467 0.778 0.444 N 1.366 10 residues pruned to eliminate duplicates Z: 19 19.047 2.000 0.781 0.569 0.889 0.722 CB 1.327 19 residues pruned to eliminate duplicates Z: 9 7.295 1.708 0.233 0.524 0.875 0.750 CB 1.367 6 residues pruned to eliminate duplicates Z: 15 7.987 1.745 0.788 0.418 0.786 0.571 CB 0.949 30 residues pruned to eliminate duplicates Z: 6 10.190 1.871 0.452 0.683 1.000 1.000 CA 1.418 Z: 33 51.999 2.187 1.427 0.750 1.000 0.500 CB 1.385 31 residues pruned to eliminate duplicates Z: 7 13.093 2.100 0.950 0.518 1.000 0.500 CA 1.282 7 residues pruned to eliminate duplicates Z: 8 8.603 1.744 0.219 0.636 1.000 0.571 N 1.346 8 residues pruned to eliminate duplicates Z: 18 21.073 2.169 0.672 0.514 0.941 0.588 CB 1.476 18 residues pruned to eliminate duplicates Z: 57 43.907 2.079 0.909 0.648 0.893 0.679 CB 1.442 62 residues pruned to eliminate duplicates Z: 30 34.488 2.080 1.230 0.671 0.828 0.724 CB 1.425 30 residues pruned to eliminate duplicates Z: 26 39.456 2.013 0.932 0.908 1.000 0.560 CB 1.441 26 residues pruned to eliminate duplicates Z: 20 16.149 1.978 0.760 0.443 0.895 0.632 CB 1.262 20 residues pruned to eliminate duplicates Z: 8 12.663 1.834 0.426 0.835 1.000 0.857 O 1.370 8 residues pruned to eliminate duplicates Z: 19 27.303 1.902 1.270 0.849 0.833 0.333 CB 1.326 19 residues pruned to eliminate duplicates Z: 6 5.406 1.649 0.169 0.849 1.000 1.000 CB 0.930 5 residues pruned to eliminate duplicates Z: 8 14.486 2.048 0.334 0.869 1.000 0.857 CA 1.463 8 residues pruned to eliminate duplicates Z: 17 21.436 2.079 0.847 0.473 0.875 0.625 CB 1.640 17 residues pruned to eliminate duplicates Z: 13 10.125 1.751 0.425 0.551 0.917 0.500 CB 1.216 13 residues pruned to eliminate duplicates Z: 8 4.964 1.629 0.073 0.434 1.000 0.571 CB 1.150 Z: 24 9.870 1.670 0.822 0.355 0.870 0.652 CB 0.910 24 residues pruned to eliminate duplicates Z: 69 42.861 2.035 1.036 0.576 0.897 0.662 CB 1.299 69 residues pruned to eliminate duplicates Z: 8 4.340 1.826 0.330 0.352 0.857 0.571 CB 0.924 Z: 8 2.420 1.637 0.603 0.125 0.429 0.286 CB 1.302 Z: 7 4.684 1.749 0.372 0.380 0.833 0.500 CA 1.087 Z: 28 39.737 1.911 1.076 0.915 0.963 0.630 CB 1.414 28 residues pruned to eliminate duplicates Z: 33 52.872 2.160 1.302 0.798 1.000 0.531 CA 1.448 33 residues pruned to eliminate duplicates Z: 19 7.672 1.729 0.828 0.276 0.611 0.444 CB 1.206 19 residues pruned to eliminate duplicates Z: 26 26.965 1.904 0.884 0.851 0.880 0.320 CB 1.264 26 residues pruned to eliminate duplicates Z: 20 31.606 2.390 0.819 0.747 0.895 0.737 CB 1.495 20 residues pruned to eliminate duplicates Z: 39 32.019 2.064 0.941 0.643 0.921 0.579 CB 1.231 39 residues pruned to eliminate duplicates Z: 19 17.660 2.005 0.656 0.632 0.833 0.667 CA 1.329 19 residues pruned to eliminate duplicates Z: 20 18.208 1.995 0.786 0.568 0.947 0.474 CB 1.158 20 residues pruned to eliminate duplicates Z: 15 25.957 2.159 0.961 0.875 1.000 0.571 CB 1.192 15 residues pruned to eliminate duplicates Z: 23 21.497 2.098 0.929 0.530 0.773 0.500 CB 1.423 23 residues pruned to eliminate duplicates Z: 25 44.422 2.053 1.031 0.929 1.000 0.750 CB 1.522 25 residues pruned to eliminate duplicates 448 residues left after pruning, divided into chains as follows: A: 58 B: 16 C: 14 D: 110 E: 12 F: 97 G: 101 H: 40 CC for partial structure against native data = 42.45 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.489, Connect. = 0.714 for dens.mod. cycle 1 = 0.300, Contrast = 0.565, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.675, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.686, Connect. = 0.777 for dens.mod. cycle 4 = 0.300, Contrast = 0.698, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.702, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.706, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.707, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.709, Connect. = 0.784 for dens.mod. cycle 9 = 0.300, Contrast = 0.709, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2420 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 563 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 25.594 2.148 0.988 0.578 0.842 0.579 CB 1.514 B: 20 35.468 2.509 0.701 0.742 0.895 0.737 CB 1.716 C: 33 29.959 2.216 0.953 0.461 0.812 0.500 CB 1.567 20 residues pruned to eliminate duplicates D: 22 30.086 2.164 1.227 0.577 0.810 0.524 CB 1.562 20 residues pruned to eliminate duplicates E: 14 17.192 2.250 0.144 0.859 0.846 0.846 CB 1.611 14 residues pruned to eliminate duplicates F: 16 29.025 2.182 1.517 0.539 0.867 0.600 CB 1.515 16 residues pruned to eliminate duplicates G: 16 18.871 2.090 0.819 0.475 0.867 0.400 CB 1.516 H: 25 47.121 2.130 1.121 0.917 0.958 0.875 CB 1.568 I: 22 26.836 2.166 1.211 0.518 0.762 0.667 CB 1.576 22 residues pruned to eliminate duplicates J: 13 26.124 2.347 0.424 0.927 1.000 1.000 CB 1.581 13 residues pruned to eliminate duplicates K: 13 28.316 2.333 0.779 0.853 0.917 0.833 CB 1.588 13 residues pruned to eliminate duplicates L: 16 22.695 2.217 0.474 0.811 0.867 0.867 CB 1.579 16 residues pruned to eliminate duplicates M: 21 35.457 2.417 0.877 0.745 0.850 0.700 CB 1.651 21 residues pruned to eliminate duplicates N: 37 29.061 2.142 1.007 0.456 0.778 0.500 CB 1.515 36 residues pruned to eliminate duplicates O: 24 28.475 2.208 1.040 0.488 0.870 0.652 CB 1.535 P: 21 21.646 2.131 1.112 0.501 0.900 0.600 CB 1.194 Q: 38 34.165 2.186 0.586 0.583 0.919 0.541 CB 1.628 16 residues pruned to eliminate duplicates R: 27 44.288 2.068 1.194 0.885 0.962 0.692 CB 1.437 27 residues pruned to eliminate duplicates S: 25 26.498 2.025 0.969 0.520 0.917 0.458 CB 1.450 17 residues pruned to eliminate duplicates T: 15 18.350 2.168 0.866 0.502 0.857 0.500 CB 1.411 15 residues pruned to eliminate duplicates U: 12 22.471 2.407 0.202 0.931 1.000 1.000 CB 1.636 12 residues pruned to eliminate duplicates V: 22 53.408 2.270 1.133 0.923 1.000 0.952 CA 1.693 22 residues pruned to eliminate duplicates W: 22 31.619 2.196 1.218 0.478 0.905 0.476 CB 1.601 22 residues pruned to eliminate duplicates X: 14 25.837 2.273 0.422 0.887 1.000 0.769 CB 1.599 14 residues pruned to eliminate duplicates Y: 26 48.424 2.074 1.194 0.887 0.960 0.640 CA 1.598 26 residues pruned to eliminate duplicates Z: 49 53.740 2.215 1.095 0.707 0.917 0.604 CB 1.510 Z: 26 19.534 2.050 0.746 0.488 0.800 0.520 CB 1.380 26 residues pruned to eliminate duplicates Z: 35 45.935 2.159 1.053 0.787 0.971 0.647 CB 1.423 Z: 21 23.749 2.168 0.996 0.495 0.800 0.450 CB 1.542 21 residues pruned to eliminate duplicates Z: 27 13.437 1.949 0.636 0.386 0.692 0.423 CB 1.348 27 residues pruned to eliminate duplicates Z: 25 55.049 2.132 1.409 0.923 1.000 0.875 CB 1.537 25 residues pruned to eliminate duplicates Z: 27 45.286 2.051 1.330 0.898 0.885 0.615 CA 1.503 27 residues pruned to eliminate duplicates Z: 15 13.192 1.957 0.796 0.389 0.857 0.571 CB 1.317 15 residues pruned to eliminate duplicates Z: 54 60.100 2.256 1.169 0.651 0.925 0.660 CB 1.585 47 residues pruned to eliminate duplicates Z: 26 19.952 2.166 0.591 0.396 0.840 0.440 CB 1.537 8 residues pruned to eliminate duplicates Z: 26 53.121 2.099 1.451 0.904 0.960 0.760 CA 1.532 26 residues pruned to eliminate duplicates Z: 35 66.476 2.325 1.539 0.705 0.941 0.735 CB 1.703 35 residues pruned to eliminate duplicates Z: 25 53.156 2.322 1.121 0.896 1.000 0.875 CA 1.578 Z: 41 40.777 2.157 0.812 0.711 0.950 0.550 CB 1.434 35 residues pruned to eliminate duplicates Z: 8 21.421 2.176 1.322 0.608 0.857 0.429 N 1.688 8 residues pruned to eliminate duplicates Z: 26 31.243 2.109 0.838 0.666 0.960 0.400 CB 1.440 Z: 27 46.681 2.019 1.341 0.901 0.923 0.846 CB 1.498 27 residues pruned to eliminate duplicates Z: 36 44.232 2.185 1.168 0.778 0.914 0.629 CB 1.350 36 residues pruned to eliminate duplicates Z: 12 15.009 2.091 0.716 0.620 0.727 0.636 CB 1.548 11 residues pruned to eliminate duplicates Z: 47 28.331 2.128 0.841 0.507 0.804 0.478 CB 1.317 38 residues pruned to eliminate duplicates Z: 14 22.368 2.207 0.282 0.933 1.000 1.000 CB 1.530 14 residues pruned to eliminate duplicates Z: 54 41.482 2.077 0.837 0.671 0.925 0.566 CB 1.380 41 residues pruned to eliminate duplicates Z: 12 19.756 2.091 1.257 0.516 0.818 0.636 CA 1.517 12 residues pruned to eliminate duplicates Z: 19 9.100 1.953 0.569 0.347 0.778 0.444 CB 1.063 19 residues pruned to eliminate duplicates Z: 14 10.642 1.959 0.441 0.444 0.769 0.462 CB 1.440 14 residues pruned to eliminate duplicates Z: 18 37.871 2.263 1.356 0.632 0.941 0.706 CB 1.617 21 residues pruned to eliminate duplicates Z: 27 42.042 2.047 1.151 0.910 0.962 0.846 CA 1.381 27 residues pruned to eliminate duplicates Z: 11 18.191 2.275 0.918 0.540 0.800 0.600 CA 1.583 11 residues pruned to eliminate duplicates Z: 10 7.933 1.827 0.777 0.364 0.667 0.444 CB 1.415 Z: 28 21.874 2.055 0.648 0.591 0.778 0.444 CB 1.465 28 residues pruned to eliminate duplicates Z: 26 53.153 2.117 1.330 0.920 1.000 0.680 CB 1.518 26 residues pruned to eliminate duplicates Z: 26 52.412 2.223 1.187 0.883 0.960 0.640 CA 1.624 25 residues pruned to eliminate duplicates Z: 27 45.768 2.255 1.098 0.872 0.923 0.769 CA 1.498 26 residues pruned to eliminate duplicates Z: 19 23.025 2.183 0.886 0.467 0.833 0.500 CB 1.635 19 residues pruned to eliminate duplicates Z: 11 21.757 2.105 0.403 0.913 1.000 0.800 CA 1.648 11 residues pruned to eliminate duplicates Z: 15 11.443 1.814 0.566 0.570 0.857 0.571 CB 1.174 14 residues pruned to eliminate duplicates Z: 33 27.363 2.147 0.742 0.438 0.844 0.562 CB 1.634 33 residues pruned to eliminate duplicates Z: 24 57.407 2.368 1.205 0.910 1.000 0.565 CB 1.627 27 residues pruned to eliminate duplicates Z: 26 53.820 2.324 1.055 0.871 1.000 0.760 CA 1.644 25 residues pruned to eliminate duplicates Z: 50 55.702 2.281 1.186 0.666 0.898 0.510 CB 1.524 25 residues pruned to eliminate duplicates Z: 12 19.644 2.102 0.745 0.592 0.909 0.818 CB 1.626 12 residues pruned to eliminate duplicates Z: 26 45.295 2.159 0.956 0.919 0.960 0.760 CA 1.574 26 residues pruned to eliminate duplicates Z: 27 41.376 2.111 0.890 0.918 1.000 0.846 CB 1.434 27 residues pruned to eliminate duplicates Z: 9 15.823 2.055 0.683 0.536 1.000 0.625 CB 1.561 10 residues pruned to eliminate duplicates Z: 27 27.994 2.066 0.702 0.629 0.962 0.423 CB 1.439 26 residues pruned to eliminate duplicates Z: 26 45.306 2.156 1.049 0.903 1.000 0.840 CB 1.462 26 residues pruned to eliminate duplicates Z: 17 22.797 2.054 0.903 0.512 0.875 0.562 CB 1.646 13 residues pruned to eliminate duplicates Z: 15 17.228 1.938 0.294 0.867 1.000 0.857 CA 1.342 15 residues pruned to eliminate duplicates Z: 26 50.997 2.090 1.363 0.900 0.960 0.840 CA 1.536 26 residues pruned to eliminate duplicates Z: 48 54.817 2.226 0.992 0.706 0.979 0.681 CB 1.527 49 residues pruned to eliminate duplicates Z: 26 46.889 2.149 1.042 0.926 1.000 0.920 CB 1.499 26 residues pruned to eliminate duplicates Z: 25 28.913 2.168 1.070 0.467 0.875 0.583 CB 1.554 24 residues pruned to eliminate duplicates Z: 9 10.367 1.811 0.767 0.614 0.750 0.750 CA 1.371 5 residues pruned to eliminate duplicates Z: 37 32.174 2.118 0.897 0.608 0.861 0.500 CB 1.399 26 residues pruned to eliminate duplicates Z: 17 18.223 2.021 1.134 0.526 0.688 0.500 CB 1.497 17 residues pruned to eliminate duplicates Z: 16 16.679 1.991 1.044 0.507 0.867 0.533 CB 1.213 16 residues pruned to eliminate duplicates Z: 25 45.946 2.153 1.098 0.930 0.917 0.708 CA 1.584 25 residues pruned to eliminate duplicates Z: 26 44.831 2.152 1.097 0.916 0.920 0.640 CB 1.525 26 residues pruned to eliminate duplicates Z: 26 42.815 2.125 0.957 0.918 1.000 0.760 CB 1.452 26 residues pruned to eliminate duplicates Z: 34 58.013 2.358 1.150 0.675 0.970 0.606 CB 1.749 34 residues pruned to eliminate duplicates Z: 12 10.462 1.818 1.115 0.520 0.727 0.636 CB 1.106 12 residues pruned to eliminate duplicates Z: 24 22.924 2.074 0.712 0.579 0.870 0.435 CB 1.435 24 residues pruned to eliminate duplicates Z: 27 50.975 2.264 0.989 0.876 1.000 0.769 CA 1.614 27 residues pruned to eliminate duplicates Z: 28 50.265 2.227 1.087 0.859 0.963 0.704 CA 1.590 28 residues pruned to eliminate duplicates Z: 73 64.532 2.214 1.194 0.623 0.889 0.569 CB 1.569 73 residues pruned to eliminate duplicates Z: 26 50.584 2.154 1.195 0.927 0.960 0.640 CA 1.562 26 residues pruned to eliminate duplicates Z: 26 44.035 2.031 1.160 0.919 0.960 0.840 CB 1.473 26 residues pruned to eliminate duplicates Z: 40 28.723 2.125 0.756 0.564 0.821 0.538 CB 1.412 40 residues pruned to eliminate duplicates Z: 9 10.049 1.967 0.742 0.705 0.750 0.625 CA 1.147 9 residues pruned to eliminate duplicates Z: 15 18.152 2.167 0.784 0.459 0.857 0.571 CB 1.526 15 residues pruned to eliminate duplicates Z: 15 20.920 2.091 1.080 0.515 0.857 0.643 CB 1.477 14 residues pruned to eliminate duplicates Z: 14 23.623 1.979 0.530 0.884 1.000 0.846 CA 1.564 13 residues pruned to eliminate duplicates Z: 25 25.765 2.113 0.818 0.639 0.833 0.542 CB 1.442 25 residues pruned to eliminate duplicates Z: 18 15.116 1.989 0.655 0.433 0.824 0.647 CB 1.450 Z: 19 9.686 1.846 0.646 0.279 0.778 0.500 CB 1.240 16 residues pruned to eliminate duplicates Z: 61 59.421 2.263 1.205 0.576 0.900 0.650 CB 1.587 61 residues pruned to eliminate duplicates Z: 7 10.117 1.966 0.907 0.412 0.833 0.500 N 1.450 6 residues pruned to eliminate duplicates Z: 26 39.790 2.149 0.810 0.913 1.000 0.840 CB 1.448 26 residues pruned to eliminate duplicates Z: 13 20.039 2.049 0.348 0.890 1.000 0.917 CA 1.506 13 residues pruned to eliminate duplicates Z: 6 6.295 1.929 1.037 0.520 0.600 0.400 CA 1.171 6 residues pruned to eliminate duplicates Z: 11 8.933 1.790 0.544 0.533 0.900 0.500 CB 1.100 Z: 13 21.267 2.176 1.177 0.588 0.833 0.583 CB 1.429 13 residues pruned to eliminate duplicates Z: 66 63.773 2.187 1.241 0.626 0.923 0.631 CB 1.552 66 residues pruned to eliminate duplicates Z: 19 26.024 2.206 1.190 0.618 0.778 0.722 CB 1.460 19 residues pruned to eliminate duplicates Z: 48 34.481 2.118 0.830 0.562 0.894 0.489 CB 1.368 48 residues pruned to eliminate duplicates Z: 28 49.850 2.214 1.005 0.864 1.000 0.741 CA 1.585 28 residues pruned to eliminate duplicates Z: 27 44.962 2.041 1.245 0.902 0.962 0.846 CA 1.428 27 residues pruned to eliminate duplicates Z: 48 58.250 2.242 1.101 0.718 0.936 0.723 CB 1.582 48 residues pruned to eliminate duplicates Z: 11 11.041 1.789 0.871 0.542 0.900 0.700 CB 1.112 11 residues pruned to eliminate duplicates Z: 13 17.420 1.864 0.519 0.873 1.000 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 54 47.631 2.155 1.023 0.647 0.887 0.509 CB 1.475 54 residues pruned to eliminate duplicates Z: 18 22.828 2.092 1.052 0.581 0.882 0.706 CB 1.352 25 residues pruned to eliminate duplicates Z: 20 18.566 2.121 0.789 0.420 0.842 0.684 CB 1.449 20 residues pruned to eliminate duplicates Z: 24 53.010 2.215 1.128 0.942 1.000 0.826 CB 1.626 24 residues pruned to eliminate duplicates Z: 26 43.220 2.134 0.973 0.907 0.960 0.480 CA 1.521 26 residues pruned to eliminate duplicates Z: 47 55.137 2.197 1.260 0.682 0.870 0.630 CB 1.594 47 residues pruned to eliminate duplicates Z: 15 9.210 1.784 0.486 0.465 0.786 0.571 CB 1.225 Z: 13 19.679 1.886 0.637 0.897 1.000 0.833 CB 1.317 13 residues pruned to eliminate duplicates Z: 14 33.091 2.277 0.893 0.914 0.923 0.923 CB 1.631 14 residues pruned to eliminate duplicates Z: 26 52.387 2.198 1.190 0.915 0.960 0.720 CB 1.602 26 residues pruned to eliminate duplicates Z: 34 30.428 2.155 0.518 0.581 0.879 0.576 CB 1.704 34 residues pruned to eliminate duplicates Z: 12 18.812 2.055 1.080 0.572 0.818 0.727 CB 1.512 12 residues pruned to eliminate duplicates Z: 25 54.282 2.313 1.084 0.923 1.000 0.750 CB 1.616 25 residues pruned to eliminate duplicates Z: 24 20.401 2.156 0.301 0.629 0.870 0.652 CB 1.545 24 residues pruned to eliminate duplicates Z: 39 27.033 2.169 0.743 0.577 0.763 0.526 CB 1.410 39 residues pruned to eliminate duplicates Z: 26 52.181 2.300 1.071 0.866 0.960 0.440 CA 1.670 26 residues pruned to eliminate duplicates Z: 13 33.875 2.390 0.878 0.917 0.917 0.417 CB 1.678 13 residues pruned to eliminate duplicates Z: 15 31.950 2.288 0.805 0.891 0.929 0.643 CB 1.602 14 residues pruned to eliminate duplicates Z: 16 21.992 2.170 0.629 0.799 0.867 0.733 CB 1.427 16 residues pruned to eliminate duplicates Z: 26 47.343 2.269 0.910 0.878 1.000 0.760 CA 1.585 26 residues pruned to eliminate duplicates Z: 26 47.227 2.298 0.889 0.902 1.000 0.880 CA 1.551 26 residues pruned to eliminate duplicates Z: 24 42.316 2.183 0.736 0.942 1.000 0.870 CA 1.616 24 residues pruned to eliminate duplicates Z: 25 25.065 2.202 1.015 0.452 0.833 0.708 CB 1.453 25 residues pruned to eliminate duplicates Z: 19 18.838 1.876 0.879 0.473 0.889 0.500 CB 1.456 19 residues pruned to eliminate duplicates Z: 28 35.787 2.070 0.847 0.889 0.889 0.630 CA 1.459 28 residues pruned to eliminate duplicates Z: 39 46.835 2.186 0.903 0.748 0.947 0.737 CB 1.545 49 residues pruned to eliminate duplicates Z: 33 38.677 2.162 0.636 0.670 0.938 0.688 CA 1.762 35 residues pruned to eliminate duplicates Z: 24 55.882 2.216 1.183 0.947 1.000 0.522 CB 1.665 24 residues pruned to eliminate duplicates Z: 27 41.848 2.117 0.978 0.906 0.962 0.385 CB 1.450 27 residues pruned to eliminate duplicates Z: 13 15.089 1.923 0.302 0.844 1.000 0.917 CB 1.294 13 residues pruned to eliminate duplicates Z: 24 58.778 2.345 1.263 0.926 1.000 0.783 CB 1.619 24 residues pruned to eliminate duplicates Z: 59 48.441 2.155 0.905 0.608 0.897 0.690 CB 1.560 59 residues pruned to eliminate duplicates Z: 27 40.860 2.060 0.935 0.907 0.962 0.808 CA 1.486 27 residues pruned to eliminate duplicates Z: 14 20.898 2.297 0.290 0.862 0.923 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 25 47.702 2.193 0.919 0.941 1.000 0.958 CA 1.606 25 residues pruned to eliminate duplicates Z: 42 37.033 2.106 0.811 0.709 0.927 0.561 CB 1.354 42 residues pruned to eliminate duplicates Z: 60 53.877 2.123 1.066 0.686 0.898 0.593 CB 1.501 56 residues pruned to eliminate duplicates Z: 25 43.112 2.188 0.860 0.931 1.000 0.875 CB 1.512 25 residues pruned to eliminate duplicates Z: 14 26.472 2.265 0.754 0.826 0.923 0.692 CB 1.510 14 residues pruned to eliminate duplicates Z: 23 47.709 2.210 1.159 0.919 0.955 0.773 CB 1.574 23 residues pruned to eliminate duplicates Z: 23 24.437 2.175 0.675 0.653 0.818 0.591 CB 1.516 23 residues pruned to eliminate duplicates Z: 16 11.495 1.785 0.525 0.515 0.867 0.600 CB 1.239 15 residues pruned to eliminate duplicates Z: 25 47.617 2.244 0.999 0.879 1.000 0.625 CA 1.571 25 residues pruned to eliminate duplicates Z: 37 30.123 2.178 0.562 0.561 0.861 0.583 CB 1.614 37 residues pruned to eliminate duplicates Z: 20 8.732 1.760 0.194 0.332 0.842 0.421 CB 1.361 20 residues pruned to eliminate duplicates Z: 28 54.564 2.241 1.109 0.873 1.000 0.667 CA 1.618 28 residues pruned to eliminate duplicates Z: 26 40.093 2.030 1.039 0.895 0.960 0.560 CB 1.446 26 residues pruned to eliminate duplicates Z: 24 50.441 2.321 1.032 0.903 1.000 0.696 CA 1.590 24 residues pruned to eliminate duplicates Z: 27 40.443 2.107 0.827 0.929 1.000 0.885 CB 1.442 27 residues pruned to eliminate duplicates Z: 16 20.003 2.146 0.634 0.495 0.933 0.667 CB 1.586 18 residues pruned to eliminate duplicates Z: 66 45.233 2.061 0.882 0.598 0.908 0.646 CB 1.452 67 residues pruned to eliminate duplicates Z: 34 27.464 2.031 0.902 0.449 0.879 0.515 CB 1.483 34 residues pruned to eliminate duplicates Z: 6 4.061 2.008 -0.216 0.624 0.800 0.600 CB 1.284 Z: 9 14.972 1.978 1.185 0.618 0.875 0.750 CA 1.251 9 residues pruned to eliminate duplicates Z: 24 26.298 2.183 0.745 0.537 0.870 0.435 CB 1.597 24 residues pruned to eliminate duplicates Z: 14 20.740 1.913 0.650 0.849 0.923 0.538 CA 1.463 14 residues pruned to eliminate duplicates Z: 25 44.697 2.169 1.004 0.946 0.958 0.750 CA 1.514 25 residues pruned to eliminate duplicates Z: 26 43.369 2.073 1.012 0.939 1.000 0.880 CA 1.445 26 residues pruned to eliminate duplicates Z: 61 49.272 2.149 0.953 0.621 0.900 0.750 CB 1.502 56 residues pruned to eliminate duplicates Z: 17 18.045 1.704 0.934 0.475 0.938 0.500 CB 1.498 17 residues pruned to eliminate duplicates Z: 13 21.248 1.893 0.819 0.854 1.000 0.833 CB 1.316 13 residues pruned to eliminate duplicates Z: 26 46.134 2.144 1.093 0.914 1.000 0.600 CB 1.454 26 residues pruned to eliminate duplicates Z: 25 50.861 2.290 1.211 0.896 0.917 0.625 CA 1.603 25 residues pruned to eliminate duplicates Z: 26 47.900 2.144 1.209 0.934 1.000 0.760 CB 1.411 26 residues pruned to eliminate duplicates Z: 41 40.727 2.132 0.948 0.733 0.950 0.700 CB 1.324 41 residues pruned to eliminate duplicates Z: 16 13.338 2.009 0.641 0.519 0.867 0.533 CB 1.183 18 residues pruned to eliminate duplicates Z: 52 52.006 2.246 1.112 0.647 0.922 0.667 CB 1.453 52 residues pruned to eliminate duplicates Z: 26 44.029 2.173 0.987 0.918 0.960 0.800 CA 1.499 26 residues pruned to eliminate duplicates Z: 14 34.347 2.404 0.670 0.925 1.000 0.846 CB 1.666 14 residues pruned to eliminate duplicates Z: 47 32.357 2.122 0.789 0.575 0.848 0.609 CB 1.379 47 residues pruned to eliminate duplicates 6 1.498 1.857 -0.137 0.330 0.400 0.400 C 1.259 ? Z: 11 13.258 1.882 0.093 0.919 1.000 0.900 CA 1.436 11 residues pruned to eliminate duplicates Z: 23 48.516 2.124 1.284 0.936 0.955 0.682 CA 1.555 23 residues pruned to eliminate duplicates Z: 15 18.830 1.933 0.630 0.782 0.929 0.786 CA 1.342 15 residues pruned to eliminate duplicates Z: 38 41.170 2.183 1.127 0.588 0.865 0.622 CB 1.548 38 residues pruned to eliminate duplicates Z: 51 50.798 2.274 1.058 0.667 0.900 0.620 CB 1.462 51 residues pruned to eliminate duplicates Z: 13 13.784 1.890 0.523 0.760 0.917 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 14 16.540 2.129 0.671 0.406 0.846 0.385 CB 1.682 14 residues pruned to eliminate duplicates Z: 24 17.047 1.916 0.549 0.486 0.826 0.478 CB 1.470 24 residues pruned to eliminate duplicates Z: 26 44.298 2.148 0.927 0.918 1.000 0.840 CB 1.509 26 residues pruned to eliminate duplicates Z: 26 53.975 2.307 1.093 0.892 0.960 0.760 CA 1.673 26 residues pruned to eliminate duplicates Z: 14 15.030 1.816 0.831 0.585 1.000 0.615 CB 1.155 14 residues pruned to eliminate duplicates Z: 23 43.373 2.159 1.055 0.907 1.000 0.909 CA 1.482 23 residues pruned to eliminate duplicates Z: 13 15.887 1.849 0.304 0.879 1.000 0.917 CB 1.380 13 residues pruned to eliminate duplicates Z: 26 44.291 2.136 1.018 0.940 1.000 0.480 CB 1.427 26 residues pruned to eliminate duplicates Z: 14 19.110 2.020 0.411 0.850 1.000 0.846 CA 1.377 13 residues pruned to eliminate duplicates Z: 26 44.232 2.119 0.896 0.930 1.000 0.680 CA 1.539 26 residues pruned to eliminate duplicates Z: 27 41.042 2.124 0.884 0.914 0.962 0.808 CA 1.480 27 residues pruned to eliminate duplicates Z: 26 47.664 2.163 1.092 0.922 1.000 0.920 CB 1.481 26 residues pruned to eliminate duplicates Z: 22 62.737 2.291 1.448 0.912 1.000 0.857 CB 1.729 22 residues pruned to eliminate duplicates Z: 26 47.820 2.151 1.121 0.905 1.000 0.520 CB 1.492 26 residues pruned to eliminate duplicates Z: 50 50.978 2.260 1.045 0.681 0.898 0.592 CB 1.486 50 residues pruned to eliminate duplicates Z: 24 28.245 2.096 0.634 0.675 0.957 0.478 CB 1.530 24 residues pruned to eliminate duplicates Z: 17 14.415 2.107 0.311 0.417 0.875 0.375 CB 1.626 17 residues pruned to eliminate duplicates Z: 6 2.922 1.513 0.628 0.354 0.600 0.400 CB 1.036 6 residues pruned to eliminate duplicates Z: 26 43.021 2.100 0.942 0.919 0.960 0.840 CA 1.548 26 residues pruned to eliminate duplicates Z: 26 48.094 2.110 1.256 0.903 0.960 0.640 CA 1.500 26 residues pruned to eliminate duplicates Z: 9 15.261 1.931 0.593 0.732 0.875 0.625 CB 1.628 9 residues pruned to eliminate duplicates Z: 15 5.583 1.774 0.051 0.277 0.857 0.286 CB 1.203 15 residues pruned to eliminate duplicates Z: 25 12.737 1.847 0.530 0.324 0.792 0.500 CB 1.411 25 residues pruned to eliminate duplicates Z: 29 53.907 2.198 1.309 0.791 0.929 0.607 CB 1.674 29 residues pruned to eliminate duplicates Z: 9 22.131 2.120 0.708 0.686 1.000 0.625 CB 1.822 9 residues pruned to eliminate duplicates Z: 26 43.367 2.249 1.018 0.857 0.920 0.440 CB 1.531 26 residues pruned to eliminate duplicates Z: 11 25.246 2.238 1.000 0.697 0.800 0.600 N 1.863 11 residues pruned to eliminate duplicates Z: 13 14.329 1.847 1.011 0.574 0.833 0.583 CB 1.245 Z: 25 37.406 2.130 0.721 0.927 1.000 0.875 CA 1.460 25 residues pruned to eliminate duplicates Z: 47 56.335 2.218 1.078 0.718 0.913 0.696 CB 1.621 47 residues pruned to eliminate duplicates Z: 29 26.899 2.128 1.016 0.417 0.821 0.571 CB 1.573 29 residues pruned to eliminate duplicates Z: 21 36.880 2.432 0.889 0.678 0.950 0.700 CB 1.605 21 residues pruned to eliminate duplicates Z: 26 24.145 2.075 1.025 0.538 0.800 0.520 CB 1.384 26 residues pruned to eliminate duplicates Z: 27 36.854 2.045 0.828 0.939 1.000 0.923 CA 1.344 27 residues pruned to eliminate duplicates Z: 16 14.955 2.073 0.723 0.452 0.800 0.467 CB 1.420 16 residues pruned to eliminate duplicates Z: 22 17.737 1.938 0.739 0.490 0.905 0.619 CB 1.282 22 residues pruned to eliminate duplicates Z: 51 52.439 2.215 0.959 0.661 0.920 0.720 CB 1.601 51 residues pruned to eliminate duplicates Z: 21 16.720 1.864 0.716 0.465 0.900 0.650 CB 1.346 21 residues pruned to eliminate duplicates Z: 26 42.856 2.150 0.996 0.933 0.960 0.600 CB 1.453 26 residues pruned to eliminate duplicates Z: 52 51.150 2.231 1.098 0.642 0.922 0.608 CB 1.455 52 residues pruned to eliminate duplicates Z: 13 19.091 1.932 0.355 0.887 1.000 0.833 CA 1.518 12 residues pruned to eliminate duplicates Z: 24 24.767 2.080 0.972 0.557 0.826 0.522 CB 1.442 24 residues pruned to eliminate duplicates Z: 49 32.747 2.094 0.713 0.546 0.854 0.542 CB 1.476 49 residues pruned to eliminate duplicates Z: 16 14.401 2.028 0.289 0.666 0.800 0.733 CA 1.525 16 residues pruned to eliminate duplicates Z: 14 20.393 1.833 0.694 0.929 0.923 0.769 CA 1.381 13 residues pruned to eliminate duplicates Z: 51 52.069 2.247 1.089 0.646 0.900 0.600 CB 1.521 51 residues pruned to eliminate duplicates Z: 45 53.271 2.200 1.205 0.609 0.932 0.727 CA 1.602 45 residues pruned to eliminate duplicates Z: 12 9.066 1.746 0.722 0.619 0.909 0.727 CB 0.894 11 residues pruned to eliminate duplicates Z: 22 18.505 1.914 1.035 0.388 0.857 0.381 CB 1.362 22 residues pruned to eliminate duplicates Z: 53 45.055 2.102 0.973 0.658 0.942 0.538 CB 1.381 53 residues pruned to eliminate duplicates Z: 65 45.615 2.090 0.925 0.609 0.891 0.562 CB 1.435 65 residues pruned to eliminate duplicates Z: 14 9.674 1.974 0.505 0.380 0.769 0.385 CB 1.334 14 residues pruned to eliminate duplicates Z: 27 44.983 2.098 1.113 0.896 0.962 0.769 CA 1.482 27 residues pruned to eliminate duplicates Z: 10 6.346 1.692 0.249 0.537 0.778 0.333 CB 1.241 Z: 20 16.692 1.974 0.700 0.392 0.895 0.579 CB 1.430 20 residues pruned to eliminate duplicates Z: 10 16.442 1.841 1.072 0.602 0.889 0.556 CA 1.467 10 residues pruned to eliminate duplicates Z: 94 62.185 2.231 0.935 0.631 0.882 0.591 CB 1.498 94 residues pruned to eliminate duplicates Z: 26 47.239 2.127 1.188 0.934 1.000 0.600 CB 1.415 26 residues pruned to eliminate duplicates Z: 12 25.311 1.896 0.977 0.934 1.000 0.818 CB 1.420 12 residues pruned to eliminate duplicates Z: 27 35.720 2.069 0.659 0.895 1.000 0.846 CA 1.463 27 residues pruned to eliminate duplicates Z: 14 12.175 1.769 0.770 0.569 0.923 0.615 CB 1.093 14 residues pruned to eliminate duplicates Z: 64 51.949 2.172 0.978 0.642 0.889 0.508 CB 1.501 64 residues pruned to eliminate duplicates Z: 39 52.641 2.210 1.027 0.752 0.947 0.763 CB 1.608 39 residues pruned to eliminate duplicates Z: 25 50.477 2.156 1.158 0.930 0.958 0.667 CB 1.615 25 residues pruned to eliminate duplicates Z: 51 36.821 2.134 0.861 0.554 0.820 0.560 CB 1.518 51 residues pruned to eliminate duplicates Z: 9 15.447 1.920 1.104 0.536 0.875 0.750 CB 1.491 Z: 7 5.129 1.813 -0.231 0.874 1.000 1.000 CB 1.093 Z: 7 4.678 1.904 0.032 0.335 0.833 0.333 CB 1.397 Z: 48 55.592 2.261 1.141 0.709 0.915 0.532 CB 1.515 48 residues pruned to eliminate duplicates Z: 18 11.532 2.038 0.642 0.401 0.765 0.471 CB 1.213 18 residues pruned to eliminate duplicates Z: 15 19.823 1.849 0.706 0.851 1.000 0.786 CB 1.244 15 residues pruned to eliminate duplicates Z: 20 30.346 2.176 1.094 0.557 0.895 0.632 CB 1.615 18 residues pruned to eliminate duplicates Z: 9 6.746 1.853 -0.079 0.594 0.875 0.500 CB 1.459 Z: 24 23.268 2.171 0.620 0.657 0.826 0.696 CB 1.444 24 residues pruned to eliminate duplicates Z: 26 40.172 2.138 0.861 0.919 0.960 0.880 CA 1.483 26 residues pruned to eliminate duplicates Z: 15 12.960 1.841 0.599 0.554 0.857 0.500 CB 1.303 15 residues pruned to eliminate duplicates Z: 14 18.798 1.832 0.796 0.870 1.000 0.769 CB 1.156 14 residues pruned to eliminate duplicates Z: 26 44.581 2.156 0.971 0.940 1.000 0.840 CB 1.457 26 residues pruned to eliminate duplicates Z: 15 16.982 1.968 0.895 0.452 0.857 0.500 CB 1.492 15 residues pruned to eliminate duplicates Z: 13 6.498 1.964 -0.155 0.484 0.833 0.583 CB 1.379 Z: 16 19.382 1.865 0.735 0.789 0.933 0.533 CA 1.286 16 residues pruned to eliminate duplicates Z: 7 3.180 1.438 0.383 0.468 1.000 0.500 N 0.675 7 residues pruned to eliminate duplicates Z: 15 19.855 1.944 0.701 0.825 1.000 0.714 CA 1.211 15 residues pruned to eliminate duplicates Z: 10 16.110 1.947 1.030 0.689 0.889 0.667 CB 1.285 10 residues pruned to eliminate duplicates Z: 16 19.657 1.894 0.746 0.781 1.000 0.533 CA 1.198 16 residues pruned to eliminate duplicates Z: 26 44.416 2.144 0.941 0.921 1.000 0.840 CB 1.503 26 residues pruned to eliminate duplicates Z: 8 5.731 1.890 0.721 0.589 0.714 0.571 CB 0.856 8 residues pruned to eliminate duplicates Z: 8 9.471 1.831 0.847 0.602 0.857 0.714 CB 1.121 8 residues pruned to eliminate duplicates Z: 16 11.439 1.948 0.506 0.509 0.800 0.467 CB 1.247 16 residues pruned to eliminate duplicates Z: 11 5.610 1.625 0.468 0.335 0.700 0.300 N 1.272 11 residues pruned to eliminate duplicates Z: 12 9.680 1.966 0.448 0.517 0.818 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 7 3.950 1.639 -0.051 0.665 0.833 0.667 CB 1.069 Z: 22 18.371 1.935 0.903 0.412 0.857 0.667 CB 1.393 18 residues pruned to eliminate duplicates Z: 27 29.642 2.285 0.846 0.435 0.885 0.654 CB 1.665 27 residues pruned to eliminate duplicates Z: 7 7.026 1.423 0.501 0.776 1.000 0.667 CB 1.052 7 residues pruned to eliminate duplicates Z: 21 18.888 2.157 0.797 0.423 0.800 0.450 CB 1.477 21 residues pruned to eliminate duplicates Z: 27 23.548 2.140 0.682 0.477 0.923 0.538 CB 1.422 27 residues pruned to eliminate duplicates Z: 9 4.381 1.830 0.064 0.470 0.875 0.625 CB 0.937 9 residues pruned to eliminate duplicates Z: 14 25.914 2.068 0.747 0.871 1.000 0.692 CA 1.451 15 residues pruned to eliminate duplicates Z: 16 34.469 2.238 0.878 0.851 1.000 0.600 CB 1.566 16 residues pruned to eliminate duplicates Z: 9 11.488 1.875 0.864 0.771 1.000 0.750 CB 0.914 9 residues pruned to eliminate duplicates Z: 6 9.505 2.070 0.968 0.739 0.800 0.800 CA 1.053 6 residues pruned to eliminate duplicates Z: 24 21.355 2.116 0.883 0.462 0.783 0.565 CB 1.485 24 residues pruned to eliminate duplicates Z: 26 55.442 2.308 1.159 0.889 1.000 0.760 CA 1.602 26 residues pruned to eliminate duplicates Z: 34 22.709 2.042 0.699 0.523 0.788 0.515 CB 1.414 34 residues pruned to eliminate duplicates Z: 6 5.851 2.003 -0.047 0.581 0.800 0.600 CB 1.585 5 residues pruned to eliminate duplicates Z: 12 16.920 1.840 0.377 0.892 1.000 0.818 CB 1.446 12 residues pruned to eliminate duplicates Z: 11 11.894 1.941 0.744 0.438 0.800 0.300 CB 1.480 10 residues pruned to eliminate duplicates Z: 15 22.481 1.950 0.999 0.791 0.929 0.500 CA 1.286 15 residues pruned to eliminate duplicates Z: 10 9.904 1.648 0.830 0.666 0.778 0.667 CB 1.208 10 residues pruned to eliminate duplicates Z: 22 26.948 2.206 0.513 0.617 0.905 0.667 CB 1.743 22 residues pruned to eliminate duplicates Z: 23 31.998 2.361 0.573 0.715 0.955 0.727 CB 1.584 23 residues pruned to eliminate duplicates Z: 7 8.854 2.224 0.440 0.380 0.833 0.500 CA 1.540 7 residues pruned to eliminate duplicates Z: 25 23.425 2.098 0.543 0.621 0.875 0.333 CB 1.506 25 residues pruned to eliminate duplicates Z: 7 6.262 1.780 -0.167 0.786 1.000 1.000 CB 1.341 Z: 9 4.076 1.675 0.483 0.474 0.500 0.375 CA 1.190 9 residues pruned to eliminate duplicates Z: 13 20.112 1.898 0.535 0.901 1.000 0.917 CB 1.422 13 residues pruned to eliminate duplicates Z: 26 38.829 2.176 0.800 0.880 1.000 0.800 CA 1.436 26 residues pruned to eliminate duplicates Z: 25 43.227 2.277 0.853 0.879 1.000 0.833 CA 1.516 25 residues pruned to eliminate duplicates Z: 7 4.396 1.859 -0.146 0.627 0.833 0.667 CB 1.204 7 residues pruned to eliminate duplicates Z: 15 20.659 1.816 0.855 0.839 1.000 0.786 CA 1.224 13 residues pruned to eliminate duplicates Z: 11 16.808 2.209 1.166 0.543 0.900 0.700 CB 1.183 11 residues pruned to eliminate duplicates Z: 25 45.759 2.182 1.019 0.931 1.000 0.708 CB 1.481 25 residues pruned to eliminate duplicates Z: 27 47.966 2.015 1.390 0.896 0.962 0.615 CB 1.455 27 residues pruned to eliminate duplicates Z: 14 13.028 2.101 0.723 0.372 0.769 0.385 CB 1.488 14 residues pruned to eliminate duplicates Z: 25 47.383 2.197 1.006 0.914 0.958 0.583 CB 1.620 25 residues pruned to eliminate duplicates Z: 7 4.152 1.934 0.248 0.489 0.500 0.333 CB 1.419 7 residues pruned to eliminate duplicates Z: 32 61.348 2.359 1.385 0.753 0.968 0.581 CB 1.616 32 residues pruned to eliminate duplicates Z: 15 15.979 2.040 0.324 0.691 0.857 0.786 CB 1.548 13 residues pruned to eliminate duplicates Z: 46 32.771 2.075 0.807 0.615 0.867 0.467 CB 1.348 46 residues pruned to eliminate duplicates Z: 6 7.079 1.870 -0.161 0.873 1.000 1.000 CB 1.470 6 residues pruned to eliminate duplicates Z: 26 30.671 2.116 0.499 0.905 1.000 0.880 CB 1.376 26 residues pruned to eliminate duplicates Z: 27 50.856 2.214 1.109 0.892 0.962 0.577 CB 1.596 27 residues pruned to eliminate duplicates Z: 26 57.196 2.317 1.209 0.900 1.000 0.640 CB 1.597 26 residues pruned to eliminate duplicates Z: 26 48.927 2.141 1.128 0.943 1.000 0.720 CB 1.488 26 residues pruned to eliminate duplicates Z: 11 14.939 1.974 0.748 0.602 0.900 0.600 CB 1.381 11 residues pruned to eliminate duplicates Z: 13 13.263 2.022 0.914 0.487 0.750 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 14 18.326 1.974 0.540 0.848 0.923 0.692 CA 1.343 14 residues pruned to eliminate duplicates Z: 8 23.062 2.144 1.158 0.856 1.000 1.000 CB 1.388 Z: 15 25.279 1.915 0.968 0.891 1.000 0.357 CA 1.288 15 residues pruned to eliminate duplicates Z: 16 19.061 1.875 0.695 0.828 1.000 0.733 CA 1.165 16 residues pruned to eliminate duplicates Z: 26 48.549 2.166 1.144 0.922 1.000 0.720 CB 1.470 26 residues pruned to eliminate duplicates Z: 10 7.740 1.951 0.310 0.478 0.778 0.556 CB 1.327 10 residues pruned to eliminate duplicates Z: 12 23.736 2.188 0.847 0.601 0.909 0.636 CB 1.770 12 residues pruned to eliminate duplicates Z: 22 56.957 2.258 1.454 0.940 1.000 0.714 CB 1.557 22 residues pruned to eliminate duplicates Z: 27 45.157 2.143 0.928 0.929 1.000 0.692 CA 1.501 27 residues pruned to eliminate duplicates Z: 51 53.725 2.258 1.038 0.678 0.920 0.520 CB 1.523 51 residues pruned to eliminate duplicates Z: 22 56.825 2.220 1.445 0.933 1.000 0.857 CB 1.595 22 residues pruned to eliminate duplicates Z: 26 45.417 2.141 1.139 0.937 0.960 0.600 CB 1.437 26 residues pruned to eliminate duplicates Z: 26 44.200 2.161 0.937 0.910 1.000 0.760 CB 1.498 26 residues pruned to eliminate duplicates Z: 7 6.601 1.713 0.486 0.590 1.000 0.500 N 0.971 Z: 21 15.970 1.923 0.666 0.420 0.850 0.550 CB 1.425 21 residues pruned to eliminate duplicates Z: 6 10.852 1.920 0.861 0.763 1.000 1.000 CB 1.075 7 residues pruned to eliminate duplicates Z: 27 51.259 2.268 1.058 0.875 1.000 0.615 CA 1.566 27 residues pruned to eliminate duplicates Z: 7 3.780 1.704 -0.287 0.671 0.833 0.833 CB 1.301 7 residues pruned to eliminate duplicates Z: 22 24.262 2.146 0.663 0.595 0.905 0.524 CB 1.498 22 residues pruned to eliminate duplicates Z: 14 23.810 1.926 0.692 0.907 1.000 0.769 CB 1.440 13 residues pruned to eliminate duplicates Z: 12 15.018 1.989 0.473 0.595 0.909 0.455 CB 1.553 12 residues pruned to eliminate duplicates Z: 6 12.709 1.967 1.014 0.838 1.000 1.000 CB 1.073 6 residues pruned to eliminate duplicates Z: 6 2.638 1.637 -0.316 0.479 0.800 0.600 O 1.346 Z: 6 6.509 1.601 0.436 0.796 0.800 0.800 CA 1.221 6 residues pruned to eliminate duplicates Z: 25 44.670 2.099 1.035 0.885 1.000 0.417 CA 1.542 25 residues pruned to eliminate duplicates Z: 15 22.100 1.959 0.754 0.847 1.000 0.286 CA 1.276 15 residues pruned to eliminate duplicates Z: 13 5.012 1.800 0.407 0.196 0.750 0.333 CB 1.095 13 residues pruned to eliminate duplicates Z: 12 14.621 1.837 0.771 0.572 1.000 0.636 CB 1.264 12 residues pruned to eliminate duplicates Z: 26 50.505 2.150 1.346 0.921 1.000 0.560 CB 1.409 26 residues pruned to eliminate duplicates Z: 25 27.668 2.091 0.603 0.644 0.958 0.458 CB 1.537 25 residues pruned to eliminate duplicates Z: 12 12.832 1.866 0.729 0.548 0.818 0.636 CB 1.398 13 residues pruned to eliminate duplicates Z: 10 5.764 1.811 0.062 0.631 0.778 0.667 CB 1.135 Z: 15 21.324 1.973 0.797 0.834 0.929 0.571 CA 1.298 15 residues pruned to eliminate duplicates Z: 27 41.495 2.089 1.005 0.902 0.923 0.692 CA 1.502 27 residues pruned to eliminate duplicates 6 1.156 1.416 -0.069 0.289 0.600 0.400 CB 0.829 ? Z: 13 17.162 1.891 0.330 0.885 1.000 0.750 CB 1.422 13 residues pruned to eliminate duplicates Z: 71 40.577 2.033 0.760 0.611 0.871 0.671 CB 1.399 71 residues pruned to eliminate duplicates Z: 6 5.891 1.681 0.564 0.521 0.800 0.600 CB 1.226 6 residues pruned to eliminate duplicates Z: 38 49.345 2.192 1.174 0.705 0.919 0.676 CB 1.537 38 residues pruned to eliminate duplicates Z: 7 2.726 1.610 -0.141 0.428 0.667 0.500 CB 1.302 Z: 13 12.372 1.793 0.645 0.542 0.833 0.583 CB 1.395 13 residues pruned to eliminate duplicates Z: 15 18.766 1.772 0.506 0.893 1.000 0.714 CB 1.349 15 residues pruned to eliminate duplicates Z: 27 37.120 2.070 0.704 0.910 1.000 0.731 CB 1.464 27 residues pruned to eliminate duplicates Z: 21 28.883 2.287 0.724 0.628 0.950 0.700 CB 1.529 21 residues pruned to eliminate duplicates Z: 13 16.793 2.145 0.644 0.514 1.000 0.500 CB 1.355 13 residues pruned to eliminate duplicates Z: 41 48.976 2.143 0.982 0.748 1.000 0.575 CB 1.460 41 residues pruned to eliminate duplicates Z: 7 7.287 1.694 -0.025 0.851 1.000 1.000 CB 1.334 Z: 7 14.341 2.001 1.336 0.728 0.833 0.833 CB 1.225 6 residues pruned to eliminate duplicates Z: 6 2.566 1.695 -0.025 0.414 0.600 0.400 N 1.266 Z: 55 44.879 2.081 0.990 0.633 0.870 0.463 CB 1.495 55 residues pruned to eliminate duplicates Z: 11 23.176 2.184 1.089 0.633 0.900 0.600 CB 1.575 11 residues pruned to eliminate duplicates Z: 8 3.219 2.028 0.082 0.259 0.714 0.286 CB 1.023 8 residues pruned to eliminate duplicates Z: 13 10.628 1.889 0.589 0.446 0.750 0.417 CB 1.441 13 residues pruned to eliminate duplicates Z: 8 9.971 1.947 0.670 0.413 0.857 0.571 CA 1.481 Z: 15 6.278 1.701 0.707 0.343 0.643 0.429 CB 1.066 13 residues pruned to eliminate duplicates Z: 15 20.128 2.103 0.997 0.559 0.857 0.643 CB 1.411 15 residues pruned to eliminate duplicates Z: 23 20.931 2.081 1.021 0.476 0.773 0.545 CB 1.407 23 residues pruned to eliminate duplicates Z: 8 4.888 1.811 -0.237 0.582 0.857 0.714 CB 1.441 Z: 47 35.485 2.122 0.636 0.605 0.848 0.587 CB 1.608 47 residues pruned to eliminate duplicates Z: 8 4.549 1.675 -0.263 0.630 1.000 0.571 N 1.233 Z: 17 14.098 1.769 0.531 0.652 0.875 0.625 CB 1.291 7 residues pruned to eliminate duplicates Z: 12 9.811 1.856 0.681 0.538 0.909 0.636 CB 1.005 13 residues pruned to eliminate duplicates Z: 16 23.498 2.474 0.627 0.525 0.867 0.467 CB 1.697 13 residues pruned to eliminate duplicates Z: 27 38.889 2.034 0.812 0.891 1.000 0.808 CB 1.488 27 residues pruned to eliminate duplicates Z: 8 10.969 2.084 0.958 0.527 0.714 0.571 C 1.385 8 residues pruned to eliminate duplicates Z: 27 49.952 2.050 1.404 0.912 1.000 0.769 CB 1.408 27 residues pruned to eliminate duplicates Z: 6 17.586 2.088 1.051 0.770 1.000 0.800 N 1.446 Z: 45 40.639 2.059 0.860 0.700 0.932 0.568 CB 1.431 45 residues pruned to eliminate duplicates Z: 24 24.502 2.265 0.484 0.669 0.826 0.522 CA 1.574 24 residues pruned to eliminate duplicates Z: 8 9.932 1.667 0.682 0.473 1.000 0.714 CB 1.376 8 residues pruned to eliminate duplicates Z: 19 16.567 1.999 0.698 0.426 0.889 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 49 50.824 2.230 1.083 0.535 0.917 0.458 CB 1.665 49 residues pruned to eliminate duplicates Z: 10 8.885 1.837 0.592 0.444 0.889 0.667 CB 1.206 6 residues pruned to eliminate duplicates Z: 10 5.337 1.519 0.549 0.476 0.778 0.556 CB 0.995 9 residues pruned to eliminate duplicates Z: 15 10.552 1.937 0.387 0.497 0.857 0.500 CB 1.228 15 residues pruned to eliminate duplicates Z: 6 9.714 1.901 0.687 0.729 1.000 0.600 CB 1.103 9 residues pruned to eliminate duplicates Z: 6 9.075 1.901 0.562 0.460 1.000 0.800 CA 1.423 6 residues pruned to eliminate duplicates Z: 26 48.810 2.177 1.102 0.938 0.960 0.640 CB 1.546 26 residues pruned to eliminate duplicates Z: 29 38.843 2.120 0.978 0.857 0.893 0.464 CB 1.445 29 residues pruned to eliminate duplicates Z: 15 20.656 1.881 0.672 0.898 0.929 0.571 CB 1.352 15 residues pruned to eliminate duplicates Z: 14 19.497 2.213 1.127 0.517 0.769 0.692 CB 1.468 14 residues pruned to eliminate duplicates Z: 14 8.517 1.969 0.673 0.341 0.846 0.692 CB 1.007 14 residues pruned to eliminate duplicates Z: 10 15.689 1.996 0.461 0.868 1.000 0.667 CB 1.311 10 residues pruned to eliminate duplicates Z: 8 12.259 2.190 0.560 0.498 0.714 0.714 CB 1.902 8 residues pruned to eliminate duplicates Z: 31 28.822 2.173 0.558 0.561 0.833 0.533 CB 1.759 31 residues pruned to eliminate duplicates Z: 26 48.409 2.125 1.345 0.924 0.960 0.600 CB 1.422 26 residues pruned to eliminate duplicates Z: 6 2.050 1.587 0.094 0.486 0.600 0.600 CB 0.892 6 residues pruned to eliminate duplicates Z: 6 3.878 1.995 -0.227 0.425 0.800 0.600 C 1.518 Z: 17 16.117 2.037 0.934 0.524 0.938 0.562 CB 1.066 17 residues pruned to eliminate duplicates Z: 6 3.369 1.899 -0.308 0.603 0.800 0.600 CB 1.299 5 residues pruned to eliminate duplicates Z: 8 10.094 1.964 0.544 0.472 0.857 0.571 CB 1.510 8 residues pruned to eliminate duplicates Z: 8 2.318 1.155 0.286 0.726 0.857 0.429 CB 0.561 Z: 9 5.032 1.507 0.050 0.483 0.875 0.500 O 1.308 7 residues pruned to eliminate duplicates Z: 7 6.035 1.345 1.014 0.568 0.833 0.667 C 1.022 7 residues pruned to eliminate duplicates Z: 8 7.802 1.747 0.468 0.619 0.857 0.429 CB 1.200 8 residues pruned to eliminate duplicates Z: 11 13.646 1.916 1.035 0.456 0.900 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 24 55.089 2.328 1.291 0.917 0.957 0.348 CB 1.589 24 residues pruned to eliminate duplicates Z: 8 8.005 1.826 -0.180 0.825 1.000 0.857 CB 1.526 9 residues pruned to eliminate duplicates Z: 6 4.168 1.656 0.041 0.408 1.000 0.800 N 1.192 Z: 35 23.621 2.063 0.612 0.531 0.824 0.588 CB 1.436 35 residues pruned to eliminate duplicates Z: 47 59.511 2.285 1.135 0.713 0.935 0.696 CB 1.587 47 residues pruned to eliminate duplicates Z: 6 5.264 1.977 -0.192 0.623 0.800 0.600 O 1.640 Z: 25 21.433 2.248 0.545 0.574 0.792 0.625 CB 1.482 25 residues pruned to eliminate duplicates Z: 17 5.908 1.521 0.779 0.239 0.688 0.438 CB 1.074 17 residues pruned to eliminate duplicates Z: 17 38.350 2.375 1.001 0.785 0.875 0.688 CB 1.795 18 residues pruned to eliminate duplicates Z: 15 22.906 1.901 0.650 0.924 0.929 0.571 CA 1.476 15 residues pruned to eliminate duplicates Z: 8 6.511 1.821 -0.221 0.687 1.000 1.000 CB 1.462 8 residues pruned to eliminate duplicates Z: 14 5.584 1.628 0.437 0.308 0.692 0.385 CB 1.184 14 residues pruned to eliminate duplicates Z: 39 45.545 2.321 1.217 0.507 0.921 0.632 CB 1.548 39 residues pruned to eliminate duplicates Z: 7 5.792 1.709 -0.212 0.847 1.000 1.000 CB 1.303 6 residues pruned to eliminate duplicates Z: 7 6.188 1.831 -0.300 0.877 1.000 0.833 C 1.431 7 residues pruned to eliminate duplicates Z: 9 12.290 1.746 0.510 0.674 1.000 0.750 N 1.403 8 residues pruned to eliminate duplicates Z: 11 5.971 1.984 0.646 0.319 0.700 0.500 CB 1.009 11 residues pruned to eliminate duplicates Z: 6 7.539 1.806 0.609 0.561 0.800 0.800 C 1.367 6 residues pruned to eliminate duplicates Z: 21 20.842 2.151 0.532 0.668 0.850 0.600 CB 1.424 21 residues pruned to eliminate duplicates Z: 40 47.980 2.124 1.130 0.740 0.872 0.692 CB 1.571 40 residues pruned to eliminate duplicates Z: 24 51.829 2.268 1.291 0.907 0.957 0.609 CA 1.545 24 residues pruned to eliminate duplicates Z: 7 8.320 1.863 0.437 0.523 0.833 0.667 C 1.487 7 residues pruned to eliminate duplicates Z: 8 7.015 1.727 0.345 0.536 0.857 0.714 CB 1.286 8 residues pruned to eliminate duplicates Z: 10 9.339 1.825 0.758 0.434 0.778 0.556 CB 1.336 10 residues pruned to eliminate duplicates Z: 27 43.419 2.116 0.911 0.920 1.000 0.808 CB 1.483 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 54 44.049 2.065 0.938 0.661 0.943 0.623 CB 1.380 54 residues pruned to eliminate duplicates Z: 12 14.113 1.774 0.800 0.546 0.909 0.364 CB 1.402 12 residues pruned to eliminate duplicates Z: 55 44.591 2.059 0.933 0.633 0.963 0.630 CB 1.397 55 residues pruned to eliminate duplicates Z: 53 47.634 2.100 1.016 0.668 0.981 0.538 CB 1.362 53 residues pruned to eliminate duplicates Z: 7 6.685 1.481 1.241 0.378 0.833 0.333 C 1.124 7 residues pruned to eliminate duplicates Z: 13 14.124 2.019 0.810 0.512 0.750 0.500 CB 1.470 13 residues pruned to eliminate duplicates Z: 15 17.850 2.065 0.838 0.564 0.786 0.571 CB 1.504 15 residues pruned to eliminate duplicates Z: 11 16.729 2.141 0.760 0.623 0.800 0.600 CB 1.562 11 residues pruned to eliminate duplicates Z: 45 38.083 2.173 0.743 0.551 0.864 0.500 CB 1.670 45 residues pruned to eliminate duplicates Z: 14 14.365 2.072 0.803 0.485 0.692 0.615 CB 1.563 14 residues pruned to eliminate duplicates Z: 24 27.643 2.141 0.749 0.586 0.826 0.565 CB 1.715 24 residues pruned to eliminate duplicates Z: 16 21.884 2.163 0.735 0.529 0.867 0.533 CB 1.687 16 residues pruned to eliminate duplicates Z: 46 35.473 2.141 0.710 0.569 0.822 0.600 CB 1.643 46 residues pruned to eliminate duplicates Z: 46 37.469 2.169 0.678 0.565 0.867 0.533 CB 1.662 46 residues pruned to eliminate duplicates Z: 36 33.665 2.226 0.620 0.588 0.886 0.571 CB 1.637 36 residues pruned to eliminate duplicates Z: 25 25.179 2.082 0.903 0.534 0.792 0.583 CB 1.584 25 residues pruned to eliminate duplicates Z: 34 29.834 2.211 0.465 0.605 0.848 0.485 CB 1.710 34 residues pruned to eliminate duplicates Z: 16 20.332 2.084 0.702 0.527 0.933 0.533 CB 1.544 16 residues pruned to eliminate duplicates Z: 12 18.283 2.187 0.535 0.581 0.909 0.636 CA 1.670 12 residues pruned to eliminate duplicates Z: 36 26.906 2.075 0.704 0.463 0.886 0.400 CB 1.508 36 residues pruned to eliminate duplicates Z: 16 19.554 2.118 0.827 0.478 0.867 0.400 CB 1.539 16 residues pruned to eliminate duplicates Z: 33 31.022 2.164 0.586 0.553 0.875 0.594 CB 1.734 33 residues pruned to eliminate duplicates Z: 46 34.040 2.162 0.583 0.551 0.844 0.600 CB 1.670 46 residues pruned to eliminate duplicates Z: 39 30.969 2.151 0.728 0.512 0.816 0.447 CB 1.638 39 residues pruned to eliminate duplicates Z: 35 31.340 2.197 0.623 0.541 0.853 0.529 CB 1.698 35 residues pruned to eliminate duplicates Z: 46 37.649 2.166 0.873 0.519 0.822 0.467 CB 1.650 46 residues pruned to eliminate duplicates Z: 45 39.802 2.182 0.859 0.548 0.818 0.523 CB 1.725 45 residues pruned to eliminate duplicates Z: 46 42.506 2.203 0.715 0.603 0.911 0.578 CB 1.668 46 residues pruned to eliminate duplicates Z: 47 35.120 2.145 0.732 0.563 0.826 0.500 CB 1.587 47 residues pruned to eliminate duplicates Z: 23 27.856 2.213 0.569 0.600 0.909 0.500 CB 1.711 23 residues pruned to eliminate duplicates Z: 25 23.650 2.112 0.544 0.544 0.875 0.500 CB 1.620 25 residues pruned to eliminate duplicates Z: 25 19.552 2.130 0.287 0.552 0.833 0.542 CA 1.660 25 residues pruned to eliminate duplicates Z: 26 21.241 2.148 0.620 0.443 0.840 0.400 CB 1.540 26 residues pruned to eliminate duplicates Z: 23 25.961 2.235 0.537 0.595 0.864 0.591 CA 1.704 23 residues pruned to eliminate duplicates Z: 23 29.440 2.224 0.615 0.605 0.909 0.455 CA 1.739 23 residues pruned to eliminate duplicates Z: 17 27.517 2.211 0.665 0.697 0.875 0.812 CA 1.784 17 residues pruned to eliminate duplicates Z: 23 27.461 2.203 0.513 0.635 0.955 0.545 CB 1.622 23 residues pruned to eliminate duplicates Z: 38 34.606 2.137 0.706 0.523 0.946 0.486 CB 1.612 38 residues pruned to eliminate duplicates Z: 15 28.536 2.312 0.614 0.746 0.929 0.571 CA 1.766 15 residues pruned to eliminate duplicates Z: 12 18.938 2.155 0.736 0.782 0.818 0.727 CA 1.455 12 residues pruned to eliminate duplicates Z: 22 27.460 2.206 0.533 0.720 0.857 0.619 CB 1.695 22 residues pruned to eliminate duplicates Z: 26 23.478 2.054 0.510 0.570 0.880 0.480 CB 1.609 26 residues pruned to eliminate duplicates Z: 22 31.313 2.258 0.736 0.581 0.905 0.571 CA 1.783 22 residues pruned to eliminate duplicates Z: 48 41.895 2.139 0.890 0.604 0.872 0.511 CB 1.570 48 residues pruned to eliminate duplicates Z: 24 24.280 2.157 0.556 0.576 0.870 0.478 CA 1.612 24 residues pruned to eliminate duplicates Z: 23 32.032 2.178 0.679 0.649 0.955 0.500 CB 1.702 23 residues pruned to eliminate duplicates Z: 36 33.229 2.127 0.591 0.576 0.914 0.571 CB 1.686 36 residues pruned to eliminate duplicates Z: 15 10.975 1.856 0.348 0.506 0.857 0.571 CB 1.361 15 residues pruned to eliminate duplicates Z: 16 11.569 1.812 0.316 0.500 0.933 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 6 4.518 1.306 1.066 0.464 0.800 0.800 N 0.972 6 residues pruned to eliminate duplicates Z: 16 10.846 1.724 0.481 0.528 0.867 0.533 CB 1.231 16 residues pruned to eliminate duplicates Z: 13 14.288 1.948 0.597 0.538 0.917 0.500 CB 1.394 14 residues pruned to eliminate duplicates Z: 7 12.589 1.749 0.939 0.570 1.000 0.833 CA 1.416 7 residues pruned to eliminate duplicates Z: 20 13.539 1.889 0.706 0.420 0.842 0.579 CB 1.245 20 residues pruned to eliminate duplicates Z: 21 15.564 2.056 0.596 0.424 0.850 0.650 CB 1.350 21 residues pruned to eliminate duplicates Z: 17 18.286 2.031 0.744 0.496 0.875 0.562 CB 1.482 21 residues pruned to eliminate duplicates Z: 6 8.496 1.771 0.917 0.432 1.000 0.600 CA 1.201 6 residues pruned to eliminate duplicates Z: 18 19.918 2.006 0.801 0.456 0.882 0.529 CB 1.584 16 residues pruned to eliminate duplicates Z: 6 6.925 1.913 0.575 0.373 0.800 0.400 CB 1.472 6 residues pruned to eliminate duplicates Z: 18 17.578 2.072 0.675 0.481 0.882 0.471 CB 1.419 18 residues pruned to eliminate duplicates Z: 20 16.523 1.994 0.632 0.437 0.895 0.632 CB 1.390 20 residues pruned to eliminate duplicates Z: 8 7.170 1.902 0.544 0.593 0.857 0.714 CB 0.985 8 residues pruned to eliminate duplicates Z: 25 31.233 2.166 0.971 0.499 0.958 0.667 CB 1.560 25 residues pruned to eliminate duplicates Z: 27 21.671 2.153 0.688 0.460 0.846 0.577 CB 1.439 27 residues pruned to eliminate duplicates Z: 26 23.612 2.204 0.760 0.477 0.880 0.720 CB 1.416 26 residues pruned to eliminate duplicates Z: 58 60.669 2.249 1.158 0.633 0.877 0.509 CB 1.665 58 residues pruned to eliminate duplicates Z: 27 23.775 2.097 0.850 0.430 0.885 0.654 CB 1.461 27 residues pruned to eliminate duplicates Z: 12 20.303 2.257 0.948 0.444 0.818 0.455 CB 1.803 12 residues pruned to eliminate duplicates Z: 68 55.557 2.162 1.058 0.582 0.910 0.537 CB 1.549 68 residues pruned to eliminate duplicates Z: 30 26.171 2.112 0.988 0.393 0.828 0.621 CB 1.567 30 residues pruned to eliminate duplicates Z: 25 28.019 2.184 0.918 0.476 0.875 0.625 CB 1.598 25 residues pruned to eliminate duplicates Z: 28 23.280 2.141 1.006 0.454 0.778 0.556 CB 1.405 28 residues pruned to eliminate duplicates Z: 27 23.017 2.117 0.895 0.382 0.808 0.500 CA 1.579 27 residues pruned to eliminate duplicates Z: 19 31.075 2.161 1.223 0.495 1.000 0.667 CA 1.532 19 residues pruned to eliminate duplicates Z: 21 21.958 2.002 0.856 0.436 0.850 0.550 CA 1.661 21 residues pruned to eliminate duplicates Z: 26 17.010 1.953 0.963 0.334 0.760 0.440 CA 1.400 26 residues pruned to eliminate duplicates Z: 20 24.634 2.060 1.009 0.431 1.000 0.579 CA 1.467 20 residues pruned to eliminate duplicates Z: 20 20.496 2.151 1.006 0.471 0.789 0.579 CB 1.422 20 residues pruned to eliminate duplicates Z: 26 26.293 2.158 1.012 0.450 0.800 0.600 CB 1.594 26 residues pruned to eliminate duplicates Z: 18 22.720 2.207 0.981 0.506 0.765 0.529 CB 1.639 18 residues pruned to eliminate duplicates Z: 55 62.951 2.284 1.273 0.624 0.889 0.611 CB 1.652 55 residues pruned to eliminate duplicates Z: 19 24.163 2.086 1.082 0.447 0.889 0.667 CA 1.558 19 residues pruned to eliminate duplicates Z: 75 65.381 2.226 1.131 0.606 0.932 0.581 CB 1.554 76 residues pruned to eliminate duplicates Z: 19 20.815 2.187 1.005 0.432 0.833 0.611 CB 1.441 19 residues pruned to eliminate duplicates Z: 47 62.601 2.284 1.265 0.690 0.935 0.630 CB 1.604 47 residues pruned to eliminate duplicates Z: 60 53.866 2.159 1.151 0.596 0.898 0.627 CB 1.534 60 residues pruned to eliminate duplicates Z: 40 51.662 2.290 1.140 0.637 0.897 0.667 CB 1.655 40 residues pruned to eliminate duplicates Z: 41 50.840 2.217 1.206 0.646 0.900 0.600 CB 1.593 41 residues pruned to eliminate duplicates Z: 29 65.588 2.373 1.300 0.840 0.964 0.571 CA 1.758 29 residues pruned to eliminate duplicates Z: 28 59.715 2.361 1.317 0.746 0.963 0.593 CA 1.750 28 residues pruned to eliminate duplicates Z: 29 70.579 2.385 1.341 0.863 1.000 0.679 CA 1.754 29 residues pruned to eliminate duplicates Z: 36 51.144 2.324 1.190 0.656 0.886 0.600 CA 1.659 36 residues pruned to eliminate duplicates Z: 42 52.599 2.208 1.223 0.672 0.902 0.683 CB 1.583 42 residues pruned to eliminate duplicates Z: 53 64.865 2.238 1.328 0.682 0.923 0.673 CB 1.583 53 residues pruned to eliminate duplicates Z: 55 60.156 2.260 1.223 0.626 0.907 0.593 CB 1.595 55 residues pruned to eliminate duplicates Z: 33 64.312 2.359 1.306 0.757 0.969 0.781 CB 1.717 33 residues pruned to eliminate duplicates Z: 29 73.157 2.387 1.520 0.809 1.000 0.679 CB 1.755 29 residues pruned to eliminate duplicates Z: 34 59.734 2.287 1.444 0.705 0.970 0.667 CB 1.591 34 residues pruned to eliminate duplicates Z: 37 58.868 2.335 1.382 0.660 0.889 0.750 CB 1.710 37 residues pruned to eliminate duplicates Z: 41 52.152 2.247 1.206 0.633 0.900 0.625 CB 1.632 41 residues pruned to eliminate duplicates Z: 38 69.133 2.332 1.393 0.709 0.973 0.703 CB 1.731 38 residues pruned to eliminate duplicates Z: 61 62.595 2.255 1.244 0.591 0.933 0.583 CB 1.569 61 residues pruned to eliminate duplicates Z: 45 70.870 2.338 1.364 0.687 0.955 0.750 CB 1.706 45 residues pruned to eliminate duplicates Z: 30 70.315 2.400 1.495 0.784 0.966 0.724 CB 1.758 30 residues pruned to eliminate duplicates Z: 64 56.002 2.200 1.178 0.536 0.873 0.619 CB 1.628 64 residues pruned to eliminate duplicates Z: 85 65.083 2.192 1.169 0.565 0.893 0.560 CB 1.571 85 residues pruned to eliminate duplicates Z: 54 68.410 2.259 1.349 0.637 0.943 0.698 CB 1.652 55 residues pruned to eliminate duplicates Z: 23 60.923 2.475 1.562 0.715 0.955 0.455 CA 1.765 23 residues pruned to eliminate duplicates Z: 8 4.667 1.716 0.358 0.535 0.571 0.429 CB 1.280 8 residues pruned to eliminate duplicates Z: 27 50.550 2.371 1.241 0.729 0.923 0.846 CB 1.645 27 residues pruned to eliminate duplicates Z: 54 48.536 2.208 1.067 0.549 0.868 0.679 CB 1.604 54 residues pruned to eliminate duplicates Z: 59 47.222 2.144 1.056 0.520 0.879 0.586 CB 1.569 59 residues pruned to eliminate duplicates Z: 49 47.362 2.195 1.164 0.534 0.896 0.583 CB 1.554 49 residues pruned to eliminate duplicates Z: 18 17.597 2.080 0.881 0.406 0.824 0.529 CB 1.462 18 residues pruned to eliminate duplicates Z: 64 60.040 2.208 1.203 0.602 0.889 0.556 CB 1.588 64 residues pruned to eliminate duplicates Z: 19 14.085 1.980 0.797 0.419 0.722 0.500 CB 1.405 19 residues pruned to eliminate duplicates Z: 22 19.034 1.997 0.769 0.464 0.810 0.476 CB 1.506 22 residues pruned to eliminate duplicates Z: 14 19.958 2.162 0.944 0.506 0.846 0.462 CB 1.547 14 residues pruned to eliminate duplicates Z: 35 15.511 1.860 0.702 0.363 0.794 0.471 CB 1.227 35 residues pruned to eliminate duplicates Z: 72 59.029 2.236 1.160 0.607 0.845 0.507 CB 1.551 72 residues pruned to eliminate duplicates Z: 78 60.554 2.192 1.104 0.571 0.883 0.532 CB 1.582 78 residues pruned to eliminate duplicates Z: 34 22.610 2.173 0.787 0.372 0.758 0.515 CB 1.535 34 residues pruned to eliminate duplicates Z: 20 17.107 2.006 0.850 0.435 0.789 0.526 CB 1.433 20 residues pruned to eliminate duplicates Z: 21 26.091 2.178 0.907 0.550 0.900 0.500 CB 1.487 21 residues pruned to eliminate duplicates Z: 16 13.482 1.914 0.660 0.449 0.867 0.533 CB 1.332 16 residues pruned to eliminate duplicates Z: 28 22.360 2.008 0.907 0.497 0.815 0.444 CB 1.383 28 residues pruned to eliminate duplicates Z: 51 38.721 2.212 0.764 0.542 0.840 0.560 CB 1.604 55 residues pruned to eliminate duplicates Z: 6 2.719 1.430 1.011 0.284 1.000 0.400 CB 0.539 6 residues pruned to eliminate duplicates Z: 66 57.495 2.195 1.184 0.602 0.877 0.492 CB 1.540 66 residues pruned to eliminate duplicates Z: 20 24.781 2.229 0.903 0.541 0.789 0.632 CA 1.631 20 residues pruned to eliminate duplicates Z: 9 15.782 2.160 0.784 0.653 0.875 0.625 CB 1.435 9 residues pruned to eliminate duplicates Z: 90 64.334 2.218 1.110 0.570 0.888 0.472 CB 1.534 90 residues pruned to eliminate duplicates Z: 27 24.034 2.080 1.013 0.484 0.769 0.500 CB 1.487 27 residues pruned to eliminate duplicates Z: 20 25.756 2.210 1.052 0.561 0.789 0.579 CB 1.555 20 residues pruned to eliminate duplicates Z: 11 18.829 2.153 1.103 0.644 0.800 0.700 CA 1.437 11 residues pruned to eliminate duplicates Z: 22 23.621 2.160 1.144 0.495 0.714 0.429 CB 1.566 22 residues pruned to eliminate duplicates Z: 13 20.678 2.200 0.852 0.525 0.917 0.333 CA 1.559 13 residues pruned to eliminate duplicates Z: 20 33.226 2.298 1.420 0.574 0.789 0.579 CB 1.617 20 residues pruned to eliminate duplicates Z: 28 27.099 2.115 1.080 0.508 0.815 0.593 CB 1.443 28 residues pruned to eliminate duplicates Z: 13 26.335 2.225 1.052 0.561 1.000 0.750 CB 1.569 13 residues pruned to eliminate duplicates Z: 31 45.299 2.267 1.220 0.606 0.900 0.667 CB 1.651 31 residues pruned to eliminate duplicates Z: 21 34.011 2.287 1.194 0.561 0.850 0.550 CB 1.681 21 residues pruned to eliminate duplicates Z: 8 20.573 2.154 1.775 0.670 0.714 0.571 CB 1.556 Z: 33 34.985 2.288 0.850 0.553 0.844 0.531 CB 1.644 41 residues pruned to eliminate duplicates Z: 19 13.809 1.917 0.907 0.268 0.778 0.333 CB 1.489 19 residues pruned to eliminate duplicates Z: 42 35.707 2.317 0.859 0.535 0.780 0.634 CB 1.603 42 residues pruned to eliminate duplicates Z: 24 28.452 2.303 0.630 0.626 0.826 0.696 CB 1.698 24 residues pruned to eliminate duplicates Z: 22 34.193 2.425 0.740 0.647 0.857 0.571 CB 1.799 22 residues pruned to eliminate duplicates Z: 6 6.054 1.990 1.000 0.244 0.600 0.200 CA 1.524 6 residues pruned to eliminate duplicates Z: 24 31.688 2.317 0.684 0.674 0.870 0.565 CB 1.659 24 residues pruned to eliminate duplicates Z: 25 27.884 2.220 0.618 0.645 0.875 0.417 CB 1.582 25 residues pruned to eliminate duplicates Z: 22 35.789 2.424 0.642 0.732 0.952 0.667 CB 1.672 22 residues pruned to eliminate duplicates Z: 23 35.293 2.355 0.772 0.641 0.955 0.455 CB 1.655 23 residues pruned to eliminate duplicates Z: 23 31.899 2.396 0.604 0.654 0.909 0.591 CB 1.687 23 residues pruned to eliminate duplicates Z: 23 35.651 2.410 0.657 0.671 0.955 0.591 CB 1.703 23 residues pruned to eliminate duplicates Z: 21 39.018 2.487 0.715 0.710 0.900 0.650 CB 1.878 21 residues pruned to eliminate duplicates Z: 26 32.622 2.290 0.742 0.630 0.920 0.600 CB 1.573 26 residues pruned to eliminate duplicates Z: 22 35.244 2.479 0.752 0.698 0.905 0.762 CB 1.633 22 residues pruned to eliminate duplicates Z: 23 37.498 2.401 0.854 0.647 0.955 0.545 CB 1.641 23 residues pruned to eliminate duplicates Z: 22 40.622 2.473 0.832 0.693 0.952 0.524 CB 1.722 22 residues pruned to eliminate duplicates Z: 23 35.393 2.432 0.690 0.678 0.909 0.455 CB 1.714 23 residues pruned to eliminate duplicates Z: 36 36.677 2.213 0.638 0.622 0.914 0.514 CB 1.667 36 residues pruned to eliminate duplicates Z: 23 35.359 2.387 0.823 0.687 0.909 0.500 CB 1.606 23 residues pruned to eliminate duplicates Z: 26 30.601 2.183 0.613 0.652 0.960 0.280 CB 1.571 24 residues pruned to eliminate duplicates Z: 14 31.432 2.264 0.950 0.853 0.923 0.385 CB 1.580 15 residues pruned to eliminate duplicates Z: 14 32.983 2.254 0.963 0.910 0.923 0.231 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 33.845 2.272 1.140 0.932 0.917 0.417 CB 1.531 13 residues pruned to eliminate duplicates Z: 6 4.591 1.570 0.747 0.307 0.800 0.400 CB 1.160 6 residues pruned to eliminate duplicates Z: 12 11.052 1.807 0.404 0.467 0.909 0.545 CB 1.494 12 residues pruned to eliminate duplicates Z: 11 13.925 1.939 0.799 0.529 0.900 0.400 CB 1.363 11 residues pruned to eliminate duplicates Z: 10 8.769 1.704 0.552 0.431 0.889 0.333 CB 1.335 10 residues pruned to eliminate duplicates Z: 10 8.366 1.770 0.643 0.389 0.778 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 10 10.079 1.927 0.682 0.456 0.778 0.444 CB 1.394 10 residues pruned to eliminate duplicates Z: 10 12.131 2.070 0.711 0.462 0.889 0.444 CB 1.335 10 residues pruned to eliminate duplicates Z: 11 12.324 1.938 0.553 0.536 1.000 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 10 12.943 2.039 0.949 0.487 0.778 0.444 CB 1.415 10 residues pruned to eliminate duplicates Z: 48 52.230 2.294 1.055 0.709 0.894 0.745 CB 1.496 48 residues pruned to eliminate duplicates Z: 52 55.046 2.251 1.195 0.649 0.922 0.706 CB 1.474 54 residues pruned to eliminate duplicates Z: 6 5.560 1.698 0.950 0.483 0.800 0.200 CB 0.955 6 residues pruned to eliminate duplicates Z: 6 4.653 1.939 0.548 0.189 1.000 0.400 CB 1.007 6 residues pruned to eliminate duplicates Z: 69 57.085 2.206 1.069 0.654 0.897 0.603 CB 1.466 66 residues pruned to eliminate duplicates Z: 7 5.431 1.708 0.872 0.436 0.833 0.667 CB 0.890 7 residues pruned to eliminate duplicates Z: 70 52.111 2.216 0.914 0.585 0.899 0.609 CB 1.516 71 residues pruned to eliminate duplicates Z: 7 5.788 1.854 1.215 0.228 0.667 0.333 CA 1.186 7 residues pruned to eliminate duplicates Z: 69 51.475 2.189 1.024 0.605 0.897 0.647 CB 1.422 69 residues pruned to eliminate duplicates Z: 35 56.425 2.373 1.186 0.747 0.941 0.647 CB 1.589 35 residues pruned to eliminate duplicates Z: 53 53.171 2.255 1.115 0.630 0.942 0.596 CB 1.452 53 residues pruned to eliminate duplicates Z: 52 49.894 2.239 1.112 0.641 0.902 0.549 CB 1.436 52 residues pruned to eliminate duplicates Z: 57 49.306 2.183 0.995 0.615 0.911 0.536 CB 1.489 57 residues pruned to eliminate duplicates Z: 57 54.887 2.246 1.163 0.627 0.946 0.679 CB 1.416 57 residues pruned to eliminate duplicates Z: 52 51.524 2.251 1.124 0.645 0.902 0.725 CB 1.460 52 residues pruned to eliminate duplicates Z: 68 48.268 2.161 1.054 0.580 0.896 0.612 CB 1.374 68 residues pruned to eliminate duplicates Z: 52 53.198 2.255 1.125 0.636 0.922 0.549 CB 1.485 52 residues pruned to eliminate duplicates Z: 51 56.544 2.260 1.074 0.647 0.940 0.580 CB 1.583 51 residues pruned to eliminate duplicates Z: 47 58.183 2.318 1.109 0.719 0.935 0.739 CB 1.540 47 residues pruned to eliminate duplicates Z: 51 55.632 2.278 1.113 0.650 0.920 0.620 CB 1.544 51 residues pruned to eliminate duplicates Z: 51 52.834 2.273 1.082 0.641 0.900 0.540 CB 1.537 51 residues pruned to eliminate duplicates Z: 50 56.404 2.307 1.126 0.665 0.898 0.571 CB 1.570 50 residues pruned to eliminate duplicates Z: 49 57.590 2.290 1.059 0.695 0.917 0.625 CB 1.609 70 residues pruned to eliminate duplicates Z: 27 50.555 2.264 1.128 0.918 0.962 0.462 CB 1.509 27 residues pruned to eliminate duplicates Z: 51 47.514 2.236 0.995 0.617 0.900 0.520 CB 1.498 51 residues pruned to eliminate duplicates Z: 46 59.037 2.336 1.133 0.719 0.933 0.578 CB 1.552 46 residues pruned to eliminate duplicates Z: 24 55.644 2.361 1.221 0.908 0.957 0.652 CA 1.643 24 residues pruned to eliminate duplicates Z: 51 56.661 2.259 1.134 0.656 0.940 0.520 CB 1.530 51 residues pruned to eliminate duplicates Z: 27 49.944 2.252 1.164 0.886 0.962 0.654 CA 1.508 27 residues pruned to eliminate duplicates Z: 60 53.810 2.247 1.168 0.632 0.864 0.610 CB 1.470 60 residues pruned to eliminate duplicates Z: 54 51.756 2.248 1.129 0.627 0.906 0.679 CB 1.456 54 residues pruned to eliminate duplicates Z: 51 59.486 2.242 1.150 0.688 0.940 0.580 CB 1.563 51 residues pruned to eliminate duplicates Z: 51 51.373 2.298 1.070 0.640 0.880 0.660 CB 1.522 51 residues pruned to eliminate duplicates Z: 71 48.258 2.176 1.028 0.558 0.871 0.643 CB 1.418 51 residues pruned to eliminate duplicates Z: 27 50.488 2.260 1.129 0.859 0.962 0.615 CA 1.576 27 residues pruned to eliminate duplicates Z: 59 58.538 2.263 1.083 0.657 0.966 0.603 CB 1.459 59 residues pruned to eliminate duplicates Z: 53 54.225 2.235 1.173 0.650 0.904 0.538 CB 1.490 53 residues pruned to eliminate duplicates Z: 52 56.540 2.258 1.195 0.648 0.922 0.510 CB 1.510 52 residues pruned to eliminate duplicates Z: 25 17.946 1.964 0.725 0.492 0.833 0.625 CB 1.308 25 residues pruned to eliminate duplicates Z: 51 58.587 2.278 1.216 0.654 0.900 0.660 CB 1.580 51 residues pruned to eliminate duplicates Z: 58 52.929 2.262 1.064 0.629 0.895 0.614 CB 1.487 58 residues pruned to eliminate duplicates Z: 17 15.980 2.022 0.778 0.486 0.750 0.562 CB 1.502 17 residues pruned to eliminate duplicates Z: 50 56.612 2.258 1.061 0.666 0.898 0.490 CB 1.659 50 residues pruned to eliminate duplicates Z: 17 18.536 2.069 0.938 0.458 0.875 0.562 CB 1.378 17 residues pruned to eliminate duplicates Z: 47 56.593 2.329 1.110 0.691 0.913 0.717 CB 1.561 47 residues pruned to eliminate duplicates Z: 17 13.936 2.022 0.853 0.419 0.812 0.500 CB 1.246 17 residues pruned to eliminate duplicates Z: 12 8.093 1.772 0.479 0.316 0.727 0.455 O 1.570 12 residues pruned to eliminate duplicates Z: 61 51.726 2.204 1.170 0.620 0.850 0.500 CB 1.467 61 residues pruned to eliminate duplicates Z: 22 23.744 2.097 1.040 0.571 0.810 0.619 CB 1.397 22 residues pruned to eliminate duplicates Z: 60 49.262 2.235 1.051 0.609 0.898 0.525 CB 1.405 60 residues pruned to eliminate duplicates Z: 18 21.538 2.171 0.995 0.569 0.824 0.588 CB 1.370 18 residues pruned to eliminate duplicates Z: 12 14.985 2.093 0.859 0.563 0.909 0.636 CB 1.202 12 residues pruned to eliminate duplicates Z: 21 16.260 2.189 0.677 0.511 0.750 0.550 CB 1.307 21 residues pruned to eliminate duplicates Z: 12 12.864 2.074 0.916 0.488 0.909 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 12 8.275 2.086 0.662 0.439 0.727 0.545 CB 1.054 12 residues pruned to eliminate duplicates Z: 10 11.501 2.169 0.906 0.506 0.667 0.556 CB 1.382 10 residues pruned to eliminate duplicates Z: 13 9.246 2.063 0.789 0.434 0.667 0.583 CB 1.162 13 residues pruned to eliminate duplicates Z: 22 19.971 1.957 1.239 0.569 0.857 0.571 CB 1.085 22 residues pruned to eliminate duplicates Z: 27 20.329 2.024 0.904 0.513 0.846 0.615 CB 1.207 27 residues pruned to eliminate duplicates Z: 20 20.519 2.162 1.023 0.458 0.895 0.526 CB 1.256 20 residues pruned to eliminate duplicates Z: 11 20.467 2.267 1.060 0.570 0.900 0.500 CB 1.438 11 residues pruned to eliminate duplicates Z: 26 21.284 2.121 0.817 0.453 0.840 0.560 CB 1.380 26 residues pruned to eliminate duplicates Z: 11 17.750 2.214 1.160 0.531 0.800 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 16 15.454 2.075 0.745 0.412 1.000 0.467 CB 1.208 16 residues pruned to eliminate duplicates Z: 27 22.953 2.133 0.741 0.419 0.885 0.538 CB 1.491 27 residues pruned to eliminate duplicates Z: 38 29.505 2.186 0.721 0.547 0.865 0.459 CB 1.424 38 residues pruned to eliminate duplicates Z: 37 28.405 2.164 0.684 0.525 0.889 0.500 CB 1.427 37 residues pruned to eliminate duplicates Z: 34 24.174 2.117 0.561 0.558 0.818 0.424 CB 1.472 34 residues pruned to eliminate duplicates Z: 58 48.450 2.227 1.051 0.608 0.895 0.526 CB 1.416 58 residues pruned to eliminate duplicates Z: 19 16.255 2.199 0.538 0.458 0.778 0.556 CB 1.521 19 residues pruned to eliminate duplicates Z: 25 17.283 2.094 0.616 0.335 0.750 0.417 CA 1.665 25 residues pruned to eliminate duplicates Z: 24 14.556 2.086 0.597 0.385 0.783 0.304 CB 1.315 24 residues pruned to eliminate duplicates Z: 14 11.226 1.975 0.861 0.333 0.846 0.385 CB 1.202 14 residues pruned to eliminate duplicates Z: 33 28.734 2.135 0.748 0.549 0.938 0.562 CB 1.384 33 residues pruned to eliminate duplicates Z: 24 27.629 2.139 0.692 0.668 0.913 0.565 CB 1.493 24 residues pruned to eliminate duplicates Z: 29 24.645 2.155 0.750 0.446 0.893 0.500 CB 1.462 29 residues pruned to eliminate duplicates Z: 25 22.653 2.114 0.571 0.596 0.875 0.500 CB 1.451 25 residues pruned to eliminate duplicates Z: 32 25.300 2.142 0.739 0.538 0.839 0.484 CB 1.401 32 residues pruned to eliminate duplicates Z: 22 24.492 2.179 0.648 0.671 0.857 0.667 CB 1.483 22 residues pruned to eliminate duplicates Z: 33 23.010 1.965 0.588 0.535 0.906 0.469 CB 1.390 33 residues pruned to eliminate duplicates Z: 32 24.851 2.138 0.682 0.537 0.871 0.452 CB 1.374 32 residues pruned to eliminate duplicates Z: 23 26.339 2.151 0.609 0.690 0.909 0.545 CB 1.501 23 residues pruned to eliminate duplicates Z: 38 29.612 2.141 0.797 0.538 0.919 0.486 CB 1.326 38 residues pruned to eliminate duplicates Z: 41 22.410 2.023 0.669 0.467 0.775 0.475 CB 1.400 41 residues pruned to eliminate duplicates Z: 24 21.273 2.069 0.679 0.574 0.826 0.435 CB 1.439 24 residues pruned to eliminate duplicates Z: 21 25.170 2.123 0.603 0.670 0.900 0.550 CB 1.571 21 residues pruned to eliminate duplicates Z: 33 23.638 2.109 0.656 0.502 0.781 0.438 CB 1.528 33 residues pruned to eliminate duplicates Z: 17 18.017 2.007 0.480 0.570 0.938 0.500 CB 1.512 17 residues pruned to eliminate duplicates Z: 31 25.815 2.117 0.653 0.550 0.833 0.567 CB 1.540 31 residues pruned to eliminate duplicates Z: 22 31.889 2.157 0.820 0.672 0.952 0.476 CB 1.587 22 residues pruned to eliminate duplicates Z: 32 29.371 2.194 0.740 0.542 0.839 0.484 CB 1.582 32 residues pruned to eliminate duplicates Z: 28 26.970 2.055 0.828 0.618 0.889 0.556 CB 1.391 28 residues pruned to eliminate duplicates Z: 33 32.006 2.139 0.765 0.589 0.875 0.469 CB 1.572 33 residues pruned to eliminate duplicates Z: 24 29.115 2.072 0.780 0.673 0.913 0.435 CB 1.537 24 residues pruned to eliminate duplicates Z: 17 22.282 1.951 0.987 0.583 0.875 0.688 CB 1.516 13 residues pruned to eliminate duplicates Z: 6 7.495 1.717 1.057 0.400 0.800 0.600 N 1.317 6 residues pruned to eliminate duplicates Z: 8 14.781 1.890 0.895 0.729 1.000 1.000 CB 1.270 8 residues pruned to eliminate duplicates Z: 7 13.876 1.967 1.296 0.692 1.000 0.833 CB 1.052 7 residues pruned to eliminate duplicates Z: 62 42.419 2.106 0.940 0.564 0.852 0.639 CB 1.465 62 residues pruned to eliminate duplicates Z: 40 51.518 2.169 1.115 0.692 0.949 0.744 CB 1.591 40 residues pruned to eliminate duplicates Z: 58 51.207 2.164 1.027 0.640 0.877 0.614 CB 1.547 58 residues pruned to eliminate duplicates Z: 48 52.065 2.240 0.983 0.720 0.894 0.766 CB 1.569 48 residues pruned to eliminate duplicates Z: 14 12.471 2.057 0.849 0.286 0.923 0.538 CB 1.254 14 residues pruned to eliminate duplicates Z: 51 55.822 2.242 1.008 0.662 0.940 0.720 CB 1.605 51 residues pruned to eliminate duplicates Z: 34 53.855 2.262 1.084 0.783 0.939 0.788 CB 1.651 34 residues pruned to eliminate duplicates Z: 16 16.981 2.149 1.073 0.379 0.933 0.533 CB 1.199 16 residues pruned to eliminate duplicates Z: 34 52.188 2.243 1.016 0.798 0.970 0.667 CB 1.596 34 residues pruned to eliminate duplicates Z: 51 53.938 2.232 1.031 0.652 0.900 0.760 CB 1.623 51 residues pruned to eliminate duplicates Z: 41 47.939 2.201 0.943 0.721 0.950 0.725 CB 1.529 41 residues pruned to eliminate duplicates Z: 47 60.111 2.266 1.112 0.728 0.957 0.739 CB 1.576 47 residues pruned to eliminate duplicates Z: 47 52.991 2.264 1.052 0.674 0.891 0.761 CB 1.607 47 residues pruned to eliminate duplicates Z: 54 48.736 2.201 1.006 0.637 0.868 0.736 CB 1.537 54 residues pruned to eliminate duplicates Z: 59 50.692 2.160 0.994 0.620 0.931 0.672 CB 1.482 59 residues pruned to eliminate duplicates Z: 50 54.227 2.222 0.998 0.666 0.939 0.694 CB 1.594 50 residues pruned to eliminate duplicates Z: 48 58.843 2.242 1.065 0.719 0.936 0.723 CB 1.625 48 residues pruned to eliminate duplicates Z: 35 51.300 2.208 0.999 0.808 0.971 0.824 CB 1.571 35 residues pruned to eliminate duplicates Z: 59 52.125 2.217 0.935 0.635 0.914 0.724 CB 1.538 60 residues pruned to eliminate duplicates Z: 25 42.196 2.160 0.883 0.927 0.958 0.875 CA 1.548 25 residues pruned to eliminate duplicates Z: 45 58.403 2.223 1.171 0.751 0.932 0.727 CB 1.566 45 residues pruned to eliminate duplicates Z: 39 52.137 2.162 1.016 0.740 0.974 0.684 CA 1.607 39 residues pruned to eliminate duplicates Z: 50 52.532 2.249 1.061 0.698 0.898 0.673 CB 1.505 50 residues pruned to eliminate duplicates Z: 67 47.785 2.122 0.978 0.603 0.879 0.636 CB 1.445 67 residues pruned to eliminate duplicates Z: 53 53.567 2.201 0.983 0.655 0.962 0.615 CB 1.533 53 residues pruned to eliminate duplicates Z: 57 48.506 2.157 1.049 0.650 0.911 0.607 CB 1.400 57 residues pruned to eliminate duplicates Z: 40 48.692 2.181 1.027 0.719 0.949 0.538 CB 1.525 40 residues pruned to eliminate duplicates Z: 40 48.597 2.197 1.083 0.704 0.923 0.564 CB 1.531 40 residues pruned to eliminate duplicates Z: 46 53.981 2.199 1.115 0.735 0.933 0.711 CB 1.502 46 residues pruned to eliminate duplicates Z: 52 53.191 2.200 1.000 0.671 0.902 0.667 CB 1.602 52 residues pruned to eliminate duplicates Z: 50 40.351 2.128 0.957 0.584 0.878 0.571 CB 1.455 49 residues pruned to eliminate duplicates Z: 26 45.613 2.150 0.997 0.936 0.960 0.720 CA 1.541 26 residues pruned to eliminate duplicates Z: 48 57.071 2.230 1.122 0.709 0.915 0.596 CB 1.591 48 residues pruned to eliminate duplicates Z: 52 57.445 2.219 1.008 0.667 0.922 0.706 CB 1.678 52 residues pruned to eliminate duplicates Z: 95 59.734 2.180 0.850 0.613 0.894 0.574 CB 1.536 95 residues pruned to eliminate duplicates Z: 71 55.847 2.201 1.004 0.604 0.886 0.571 CB 1.547 71 residues pruned to eliminate duplicates Z: 6 7.186 2.132 0.772 0.257 0.800 0.400 CA 1.404 6 residues pruned to eliminate duplicates Z: 48 54.577 2.233 1.127 0.706 0.915 0.638 CB 1.520 48 residues pruned to eliminate duplicates Z: 50 53.119 2.214 1.023 0.665 0.939 0.612 CB 1.549 50 residues pruned to eliminate duplicates Z: 66 43.097 2.082 0.989 0.566 0.862 0.554 CB 1.405 66 residues pruned to eliminate duplicates Z: 21 20.183 2.054 0.835 0.382 0.900 0.600 CB 1.507 21 residues pruned to eliminate duplicates Z: 16 20.476 2.116 1.030 0.484 0.867 0.600 CB 1.444 16 residues pruned to eliminate duplicates Z: 49 53.869 2.214 1.036 0.700 0.938 0.688 CB 1.533 49 residues pruned to eliminate duplicates Z: 60 56.242 2.209 1.058 0.640 0.898 0.644 CB 1.573 60 residues pruned to eliminate duplicates Z: 66 54.123 2.166 1.052 0.628 0.892 0.677 CB 1.500 66 residues pruned to eliminate duplicates Z: 58 51.653 2.234 0.939 0.646 0.895 0.596 CB 1.540 58 residues pruned to eliminate duplicates Z: 16 24.430 2.095 0.965 0.568 0.867 0.667 CB 1.655 16 residues pruned to eliminate duplicates Z: 22 17.432 1.981 0.787 0.439 0.857 0.619 CB 1.334 22 residues pruned to eliminate duplicates Z: 29 23.562 2.117 0.783 0.496 0.821 0.571 CB 1.442 29 residues pruned to eliminate duplicates Z: 76 53.996 2.167 1.012 0.603 0.880 0.613 CB 1.474 76 residues pruned to eliminate duplicates Z: 70 53.212 2.190 0.969 0.626 0.884 0.638 CB 1.493 70 residues pruned to eliminate duplicates Z: 13 15.142 2.025 0.864 0.507 0.833 0.667 CB 1.380 13 residues pruned to eliminate duplicates Z: 25 18.770 1.931 0.771 0.476 0.792 0.500 CB 1.450 25 residues pruned to eliminate duplicates Z: 47 31.573 2.121 0.584 0.584 0.913 0.543 CB 1.400 47 residues pruned to eliminate duplicates Z: 24 21.349 2.142 0.656 0.537 0.826 0.652 CB 1.465 24 residues pruned to eliminate duplicates Z: 16 16.714 2.145 0.601 0.498 0.867 0.467 CB 1.453 16 residues pruned to eliminate duplicates Z: 24 24.427 2.153 0.803 0.552 0.826 0.696 CB 1.509 24 residues pruned to eliminate duplicates Z: 16 16.414 2.113 0.646 0.476 0.933 0.400 CB 1.337 16 residues pruned to eliminate duplicates Z: 16 13.795 2.047 0.531 0.510 0.933 0.467 CB 1.206 16 residues pruned to eliminate duplicates Z: 27 18.608 2.048 0.598 0.501 0.808 0.538 CB 1.379 27 residues pruned to eliminate duplicates Z: 19 12.510 2.005 0.570 0.390 0.889 0.444 CB 1.183 19 residues pruned to eliminate duplicates Z: 38 31.009 2.156 0.596 0.591 0.946 0.649 CB 1.436 38 residues pruned to eliminate duplicates Z: 16 14.088 2.041 0.857 0.402 0.867 0.467 CB 1.228 16 residues pruned to eliminate duplicates Z: 16 15.800 2.078 0.779 0.436 0.867 0.400 CB 1.360 16 residues pruned to eliminate duplicates Z: 47 39.031 2.171 0.686 0.609 0.913 0.522 CB 1.552 47 residues pruned to eliminate duplicates Z: 35 35.146 2.166 0.728 0.612 0.971 0.382 CB 1.492 35 residues pruned to eliminate duplicates Z: 41 28.688 2.158 0.633 0.524 0.900 0.350 CB 1.396 41 residues pruned to eliminate duplicates Z: 47 40.173 2.157 0.800 0.600 0.913 0.391 CB 1.519 47 residues pruned to eliminate duplicates Z: 39 30.348 2.164 0.571 0.566 0.921 0.474 CB 1.475 39 residues pruned to eliminate duplicates Z: 27 25.066 2.079 0.618 0.627 0.885 0.385 CB 1.467 27 residues pruned to eliminate duplicates Z: 26 31.625 2.120 0.818 0.652 0.920 0.560 CB 1.548 26 residues pruned to eliminate duplicates Z: 10 8.728 1.787 0.659 0.385 0.778 0.444 CB 1.426 10 residues pruned to eliminate duplicates Z: 55 45.871 2.189 1.056 0.612 0.907 0.593 CB 1.375 55 residues pruned to eliminate duplicates Z: 25 26.089 2.128 0.592 0.647 0.917 0.500 CB 1.495 25 residues pruned to eliminate duplicates Z: 25 28.856 2.138 0.664 0.658 0.917 0.542 CB 1.560 25 residues pruned to eliminate duplicates Z: 26 25.149 2.088 0.600 0.634 0.880 0.560 CB 1.509 26 residues pruned to eliminate duplicates Z: 39 38.463 2.198 0.870 0.618 0.921 0.553 CB 1.474 39 residues pruned to eliminate duplicates Z: 26 25.674 2.077 0.657 0.621 0.880 0.560 CA 1.513 26 residues pruned to eliminate duplicates Z: 25 28.781 2.177 0.660 0.633 0.958 0.458 CB 1.498 25 residues pruned to eliminate duplicates Z: 25 25.971 2.161 0.611 0.667 0.875 0.583 CB 1.491 25 residues pruned to eliminate duplicates Z: 26 30.554 2.124 0.734 0.672 0.960 0.480 CB 1.474 26 residues pruned to eliminate duplicates Z: 92 61.647 2.200 0.937 0.652 0.879 0.516 CB 1.498 92 residues pruned to eliminate duplicates Z: 27 24.837 2.088 0.776 0.617 0.808 0.577 CB 1.456 27 residues pruned to eliminate duplicates Z: 26 28.035 2.130 0.670 0.623 0.920 0.320 CB 1.526 26 residues pruned to eliminate duplicates Z: 26 27.425 2.131 0.562 0.631 0.960 0.440 CB 1.518 26 residues pruned to eliminate duplicates Z: 30 24.847 2.040 0.546 0.593 0.897 0.345 CB 1.492 30 residues pruned to eliminate duplicates Z: 41 36.443 2.151 0.773 0.579 0.975 0.500 CB 1.436 41 residues pruned to eliminate duplicates Z: 41 38.333 2.112 0.835 0.588 0.950 0.375 CB 1.514 41 residues pruned to eliminate duplicates Z: 27 29.444 2.104 0.700 0.634 0.923 0.346 CB 1.542 27 residues pruned to eliminate duplicates Z: 27 25.402 2.090 0.616 0.576 0.923 0.385 CB 1.486 27 residues pruned to eliminate duplicates Z: 29 30.063 2.035 0.723 0.607 0.964 0.357 CB 1.519 29 residues pruned to eliminate duplicates Z: 26 26.876 2.099 0.524 0.657 0.960 0.520 CB 1.514 26 residues pruned to eliminate duplicates Z: 27 27.490 2.073 0.596 0.659 0.923 0.462 CB 1.523 27 residues pruned to eliminate duplicates Z: 6 17.597 1.988 1.066 0.824 1.000 1.000 CB 1.447 6 residues pruned to eliminate duplicates Z: 7 2.945 1.905 0.935 0.089 0.500 0.000 CB 1.108 7 residues pruned to eliminate duplicates Z: 38 47.141 2.212 1.104 0.747 0.946 0.595 CB 1.411 38 residues pruned to eliminate duplicates Z: 42 41.518 2.132 0.986 0.696 0.951 0.610 CB 1.347 42 residues pruned to eliminate duplicates Z: 53 44.413 2.101 0.977 0.685 0.923 0.615 CB 1.356 53 residues pruned to eliminate duplicates Z: 41 43.918 2.158 0.993 0.750 0.975 0.700 CB 1.325 41 residues pruned to eliminate duplicates Z: 40 47.334 2.196 1.015 0.729 0.974 0.692 CB 1.431 40 residues pruned to eliminate duplicates Z: 34 42.312 2.243 1.191 0.703 0.879 0.636 CB 1.418 34 residues pruned to eliminate duplicates Z: 57 38.825 2.054 0.851 0.605 0.911 0.679 CB 1.356 57 residues pruned to eliminate duplicates Z: 40 46.344 2.200 0.942 0.748 0.949 0.718 CB 1.468 40 residues pruned to eliminate duplicates Z: 32 52.362 2.238 1.092 0.828 1.000 0.839 CB 1.512 32 residues pruned to eliminate duplicates Z: 49 41.103 2.112 0.894 0.665 0.917 0.708 CB 1.389 49 residues pruned to eliminate duplicates Z: 37 45.120 2.205 1.125 0.715 0.944 0.694 CB 1.399 37 residues pruned to eliminate duplicates Z: 61 36.555 2.013 0.823 0.574 0.917 0.683 CB 1.307 61 residues pruned to eliminate duplicates Z: 40 51.717 2.192 1.109 0.728 1.000 0.667 CB 1.460 40 residues pruned to eliminate duplicates Z: 64 40.814 2.079 0.724 0.577 0.937 0.619 CB 1.422 64 residues pruned to eliminate duplicates Z: 37 45.694 2.162 1.090 0.717 0.917 0.667 CB 1.511 37 residues pruned to eliminate duplicates Z: 46 39.012 2.078 0.902 0.692 0.911 0.822 CB 1.354 46 residues pruned to eliminate duplicates Z: 45 44.084 2.076 0.997 0.714 0.932 0.795 CB 1.416 45 residues pruned to eliminate duplicates Z: 54 38.477 2.052 0.945 0.605 0.849 0.642 CB 1.412 54 residues pruned to eliminate duplicates Z: 40 42.039 2.166 0.978 0.702 0.974 0.667 CB 1.341 40 residues pruned to eliminate duplicates Z: 49 43.366 2.089 1.024 0.680 0.917 0.646 CB 1.368 49 residues pruned to eliminate duplicates Z: 65 40.466 2.055 0.786 0.584 0.922 0.625 CB 1.379 65 residues pruned to eliminate duplicates Z: 41 44.917 2.172 1.042 0.673 0.975 0.675 CB 1.400 41 residues pruned to eliminate duplicates Z: 33 49.639 2.209 1.121 0.805 1.000 0.625 CB 1.435 33 residues pruned to eliminate duplicates Z: 35 41.169 2.145 1.202 0.735 0.882 0.618 CB 1.371 35 residues pruned to eliminate duplicates Z: 35 47.794 2.218 1.169 0.768 0.941 0.618 CB 1.427 35 residues pruned to eliminate duplicates Z: 40 46.987 2.187 1.080 0.744 0.974 0.692 CB 1.365 40 residues pruned to eliminate duplicates Z: 41 43.117 2.129 0.958 0.745 0.975 0.725 CB 1.347 41 residues pruned to eliminate duplicates Z: 57 41.420 2.066 0.888 0.621 0.929 0.643 CB 1.362 57 residues pruned to eliminate duplicates Z: 50 40.769 2.006 1.002 0.647 0.918 0.673 CB 1.376 50 residues pruned to eliminate duplicates Z: 40 51.090 2.196 1.151 0.746 0.974 0.744 CB 1.426 40 residues pruned to eliminate duplicates 450 residues left after pruning, divided into chains as follows: A: 11 B: 14 C: 111 D: 78 E: 35 F: 54 G: 46 H: 101 CC for partial structure against native data = 42.38 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.491, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.563, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.680, Connect. = 0.777 for dens.mod. cycle 4 = 0.300, Contrast = 0.692, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.696, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.702, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.703, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.705, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.705, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2495 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 23.810 2.169 0.789 0.597 0.778 0.704 CB 1.385 B: 10 17.869 2.192 0.977 0.613 0.889 0.667 CB 1.389 10 residues pruned to eliminate duplicates C: 13 26.463 2.335 0.711 0.837 0.917 0.833 CB 1.560 13 residues pruned to eliminate duplicates D: 59 59.654 2.259 1.094 0.639 0.897 0.655 CB 1.621 9 residues pruned to eliminate duplicates E: 14 12.537 1.934 0.926 0.447 0.769 0.538 CB 1.281 14 residues pruned to eliminate duplicates F: 19 28.811 2.208 1.215 0.624 0.778 0.556 CB 1.588 19 residues pruned to eliminate duplicates G: 36 38.048 2.216 0.728 0.591 0.914 0.543 CB 1.685 H: 20 36.114 2.468 0.666 0.785 0.895 0.789 CB 1.752 20 residues pruned to eliminate duplicates I: 34 33.607 2.220 0.726 0.551 0.848 0.455 CB 1.713 34 residues pruned to eliminate duplicates J: 15 19.973 2.230 0.434 0.802 0.857 0.786 CB 1.496 15 residues pruned to eliminate duplicates K: 22 32.201 2.345 0.695 0.717 0.905 0.429 CB 1.605 22 residues pruned to eliminate duplicates L: 16 17.943 2.058 0.932 0.425 0.800 0.533 CB 1.574 16 residues pruned to eliminate duplicates M: 22 20.904 1.966 0.772 0.484 0.857 0.476 CB 1.553 22 residues pruned to eliminate duplicates N: 25 26.215 2.072 0.860 0.581 0.833 0.625 CB 1.541 13 residues pruned to eliminate duplicates O: 20 31.442 2.131 1.087 0.632 0.895 0.789 CB 1.602 20 residues pruned to eliminate duplicates P: 11 15.866 2.150 0.896 0.493 1.000 0.400 CB 1.238 Q: 14 21.722 2.316 0.425 0.878 0.846 0.846 CB 1.565 R: 27 50.768 2.177 1.251 0.897 0.962 0.769 CA 1.512 27 residues pruned to eliminate duplicates S: 49 30.805 2.089 0.588 0.550 0.833 0.604 CB 1.532 49 residues pruned to eliminate duplicates T: 14 28.950 2.267 0.730 0.914 1.000 0.846 CB 1.448 15 residues pruned to eliminate duplicates U: 22 24.145 2.041 1.086 0.368 0.857 0.524 CA 1.663 8 residues pruned to eliminate duplicates V: 8 15.839 2.093 0.996 0.517 0.857 0.571 N 1.644 8 residues pruned to eliminate duplicates W: 19 30.942 2.214 1.217 0.601 0.833 0.778 CB 1.620 19 residues pruned to eliminate duplicates X: 15 17.185 2.025 0.882 0.455 0.857 0.571 CB 1.473 15 residues pruned to eliminate duplicates Y: 20 21.420 2.270 0.397 0.706 0.842 0.684 CB 1.526 20 residues pruned to eliminate duplicates Z: 13 21.832 2.276 0.431 0.846 0.917 0.750 CB 1.568 13 residues pruned to eliminate duplicates Z: 13 15.909 2.257 0.597 0.487 0.833 0.583 CB 1.548 Z: 36 29.266 2.193 0.540 0.566 0.829 0.543 CB 1.658 36 residues pruned to eliminate duplicates Z: 17 27.650 2.188 1.237 0.500 0.812 0.688 CB 1.739 18 residues pruned to eliminate duplicates Z: 26 50.911 2.207 1.227 0.906 0.960 0.760 CB 1.535 26 residues pruned to eliminate duplicates Z: 69 50.736 2.115 0.982 0.605 0.853 0.647 CB 1.557 28 residues pruned to eliminate duplicates Z: 59 56.452 2.229 1.165 0.612 0.879 0.603 CB 1.571 59 residues pruned to eliminate duplicates Z: 33 30.101 2.233 0.459 0.588 0.844 0.562 CB 1.780 34 residues pruned to eliminate duplicates Z: 28 49.386 2.119 1.267 0.924 0.963 0.926 CB 1.443 28 residues pruned to eliminate duplicates Z: 27 49.594 2.186 1.186 0.896 0.962 0.885 CA 1.516 27 residues pruned to eliminate duplicates Z: 26 53.918 2.195 1.279 0.901 0.960 0.800 CB 1.603 26 residues pruned to eliminate duplicates Z: 16 16.545 1.977 0.858 0.435 0.800 0.600 CB 1.554 16 residues pruned to eliminate duplicates Z: 14 20.375 1.982 0.494 0.878 0.846 0.769 CA 1.637 12 residues pruned to eliminate duplicates Z: 26 49.862 2.326 0.949 0.867 1.000 0.880 CA 1.610 Z: 37 28.607 2.198 0.901 0.497 0.833 0.528 CB 1.373 24 residues pruned to eliminate duplicates Z: 27 52.174 2.167 1.084 0.913 1.000 0.692 CA 1.604 27 residues pruned to eliminate duplicates Z: 14 19.520 2.038 0.286 0.881 1.000 0.923 CA 1.496 14 residues pruned to eliminate duplicates Z: 63 45.988 2.099 0.937 0.650 0.903 0.645 CB 1.383 63 residues pruned to eliminate duplicates Z: 28 47.175 2.215 0.930 0.868 1.000 0.815 CA 1.552 28 residues pruned to eliminate duplicates Z: 27 49.051 2.305 1.007 0.877 0.962 0.731 CA 1.570 27 residues pruned to eliminate duplicates Z: 15 22.950 2.096 0.787 0.557 0.929 0.643 CA 1.668 Z: 15 17.969 2.144 0.997 0.480 0.857 0.357 CB 1.335 15 residues pruned to eliminate duplicates Z: 35 48.120 2.328 1.059 0.694 0.882 0.588 CB 1.634 25 residues pruned to eliminate duplicates Z: 66 62.552 2.231 1.163 0.620 0.877 0.615 CB 1.637 66 residues pruned to eliminate duplicates Z: 38 38.077 2.156 0.857 0.738 0.973 0.595 CB 1.298 38 residues pruned to eliminate duplicates Z: 27 49.817 2.232 1.139 0.874 0.923 0.500 CA 1.613 27 residues pruned to eliminate duplicates Z: 40 49.116 2.170 1.004 0.738 0.923 0.615 CB 1.582 Z: 28 26.716 2.222 0.846 0.459 0.852 0.444 CB 1.535 28 residues pruned to eliminate duplicates Z: 27 50.159 2.179 1.143 0.915 0.962 0.846 CA 1.548 27 residues pruned to eliminate duplicates Z: 27 50.577 2.253 1.010 0.867 1.000 0.731 CA 1.602 27 residues pruned to eliminate duplicates Z: 30 49.058 2.126 1.074 0.881 0.966 0.655 CB 1.550 30 residues pruned to eliminate duplicates Z: 12 13.872 1.995 0.937 0.510 0.909 0.545 CB 1.179 12 residues pruned to eliminate duplicates Z: 75 43.791 2.073 0.773 0.606 0.878 0.608 CB 1.426 75 residues pruned to eliminate duplicates Z: 26 39.756 2.140 0.919 0.905 0.920 0.800 CA 1.498 26 residues pruned to eliminate duplicates Z: 16 13.698 2.034 0.658 0.460 0.800 0.333 CB 1.365 16 residues pruned to eliminate duplicates Z: 36 27.533 2.179 0.843 0.418 0.857 0.429 CB 1.472 36 residues pruned to eliminate duplicates Z: 28 20.046 2.029 0.648 0.452 0.815 0.556 CB 1.488 28 residues pruned to eliminate duplicates Z: 26 24.813 2.115 0.732 0.623 0.800 0.280 CB 1.508 Z: 15 31.293 2.273 0.668 0.857 1.000 0.857 CB 1.626 13 residues pruned to eliminate duplicates Z: 60 54.639 2.211 1.147 0.591 0.881 0.542 CB 1.559 60 residues pruned to eliminate duplicates Z: 10 15.906 2.085 0.876 0.609 0.778 0.667 CB 1.571 10 residues pruned to eliminate duplicates Z: 27 50.451 2.165 1.260 0.909 0.962 0.731 CA 1.493 27 residues pruned to eliminate duplicates Z: 7 13.575 2.075 0.808 0.734 0.833 0.667 CA 1.436 Z: 26 47.418 2.197 1.185 0.891 0.920 0.800 CB 1.544 26 residues pruned to eliminate duplicates Z: 72 67.786 2.276 1.165 0.578 0.901 0.592 CB 1.679 72 residues pruned to eliminate duplicates Z: 55 67.344 2.267 1.167 0.669 0.944 0.704 CB 1.689 53 residues pruned to eliminate duplicates Z: 26 51.082 2.194 1.012 0.933 1.000 0.680 CA 1.615 25 residues pruned to eliminate duplicates Z: 27 51.906 2.285 1.039 0.881 0.962 0.808 CA 1.645 27 residues pruned to eliminate duplicates Z: 16 19.061 2.002 0.831 0.425 0.933 0.667 CB 1.555 Z: 12 24.369 2.094 0.526 0.902 1.000 0.909 CA 1.639 13 residues pruned to eliminate duplicates Z: 65 61.193 2.213 1.165 0.612 0.938 0.594 CB 1.531 65 residues pruned to eliminate duplicates Z: 13 15.315 1.901 0.614 0.607 0.917 0.583 CA 1.421 13 residues pruned to eliminate duplicates Z: 24 50.693 2.221 0.987 0.958 1.000 0.826 CA 1.643 24 residues pruned to eliminate duplicates Z: 28 53.172 2.230 1.166 0.902 0.963 0.667 CA 1.569 27 residues pruned to eliminate duplicates Z: 22 16.350 1.945 0.817 0.361 0.857 0.524 CB 1.367 Z: 46 58.218 2.250 1.115 0.740 0.956 0.644 CB 1.540 52 residues pruned to eliminate duplicates Z: 25 55.408 2.252 1.239 0.933 1.000 0.833 CB 1.565 25 residues pruned to eliminate duplicates Z: 26 33.251 2.102 0.838 0.677 0.960 0.480 CB 1.523 26 residues pruned to eliminate duplicates Z: 12 8.362 1.783 1.236 0.499 0.636 0.636 CB 0.995 12 residues pruned to eliminate duplicates Z: 27 27.692 2.004 0.446 0.865 0.962 0.731 CA 1.428 27 residues pruned to eliminate duplicates Z: 26 41.946 2.153 0.888 0.927 1.000 0.800 CB 1.446 26 residues pruned to eliminate duplicates Z: 27 24.307 2.084 0.603 0.499 0.923 0.538 CB 1.547 27 residues pruned to eliminate duplicates Z: 21 26.932 2.123 1.214 0.572 0.850 0.550 CB 1.406 21 residues pruned to eliminate duplicates Z: 28 48.865 2.217 0.985 0.880 0.963 0.630 CA 1.608 28 residues pruned to eliminate duplicates Z: 26 55.617 2.282 1.148 0.874 1.000 0.400 CA 1.652 27 residues pruned to eliminate duplicates Z: 26 55.875 2.251 1.199 0.892 1.000 0.760 CA 1.621 26 residues pruned to eliminate duplicates Z: 25 56.320 2.351 1.191 0.912 0.917 0.583 CB 1.725 25 residues pruned to eliminate duplicates Z: 87 56.194 2.223 1.018 0.585 0.849 0.581 CB 1.466 90 residues pruned to eliminate duplicates Z: 9 14.452 2.014 1.291 0.607 0.750 0.750 CA 1.333 7 residues pruned to eliminate duplicates Z: 24 51.399 2.220 1.017 0.956 1.000 0.783 CB 1.644 24 residues pruned to eliminate duplicates Z: 25 51.063 2.325 1.071 0.878 0.958 0.833 CA 1.640 25 residues pruned to eliminate duplicates Z: 26 44.306 2.147 1.059 0.915 0.960 0.800 CB 1.475 26 residues pruned to eliminate duplicates Z: 71 71.893 2.281 1.205 0.644 0.900 0.671 CB 1.659 64 residues pruned to eliminate duplicates Z: 26 43.262 2.152 0.908 0.918 1.000 0.880 CB 1.487 26 residues pruned to eliminate duplicates Z: 38 31.099 2.136 0.610 0.622 0.865 0.432 CB 1.532 38 residues pruned to eliminate duplicates Z: 27 45.764 2.098 0.933 0.919 1.000 0.808 CA 1.560 27 residues pruned to eliminate duplicates Z: 37 42.586 2.190 0.968 0.765 0.972 0.694 CB 1.340 37 residues pruned to eliminate duplicates Z: 75 58.024 2.206 1.066 0.582 0.865 0.649 CB 1.582 75 residues pruned to eliminate duplicates Z: 11 14.616 2.083 1.083 0.533 0.900 0.500 CB 1.146 11 residues pruned to eliminate duplicates Z: 53 54.695 2.256 0.976 0.645 0.923 0.654 CB 1.609 56 residues pruned to eliminate duplicates Z: 26 25.098 2.099 0.786 0.627 0.840 0.480 CB 1.415 26 residues pruned to eliminate duplicates Z: 14 10.392 1.768 0.414 0.484 0.923 0.538 CB 1.269 Z: 16 14.672 1.989 1.057 0.360 0.733 0.467 CB 1.469 16 residues pruned to eliminate duplicates Z: 6 4.587 1.950 -0.244 0.562 1.000 0.400 O 1.310 Z: 52 54.509 2.240 1.143 0.645 0.922 0.471 CB 1.507 52 residues pruned to eliminate duplicates Z: 21 48.897 2.228 1.049 0.959 1.000 0.450 CB 1.641 21 residues pruned to eliminate duplicates Z: 19 20.430 2.049 0.888 0.454 0.833 0.722 CB 1.565 19 residues pruned to eliminate duplicates Z: 29 46.911 2.123 1.196 0.887 0.929 0.714 CA 1.476 29 residues pruned to eliminate duplicates Z: 10 11.664 2.103 1.189 0.357 0.667 0.556 CA 1.479 10 residues pruned to eliminate duplicates Z: 26 34.262 2.068 0.620 0.922 1.000 0.960 CA 1.438 26 residues pruned to eliminate duplicates Z: 23 28.789 2.162 0.898 0.639 0.864 0.455 CB 1.520 13 residues pruned to eliminate duplicates Z: 28 26.321 2.031 0.734 0.595 0.889 0.481 CB 1.478 28 residues pruned to eliminate duplicates Z: 11 11.172 2.010 0.534 0.499 0.800 0.700 CB 1.434 11 residues pruned to eliminate duplicates Z: 21 14.229 1.725 0.955 0.371 0.800 0.550 CB 1.354 17 residues pruned to eliminate duplicates Z: 27 49.914 2.148 1.303 0.923 0.923 0.769 CB 1.507 27 residues pruned to eliminate duplicates Z: 12 10.097 1.978 0.298 0.420 0.909 0.636 CB 1.418 12 residues pruned to eliminate duplicates Z: 26 43.636 2.142 0.947 0.920 1.000 0.800 CB 1.473 26 residues pruned to eliminate duplicates Z: 15 14.092 1.728 0.311 0.897 0.929 0.929 CA 1.282 15 residues pruned to eliminate duplicates Z: 24 27.224 2.222 0.797 0.598 0.826 0.435 CB 1.568 24 residues pruned to eliminate duplicates Z: 53 56.983 2.226 1.055 0.661 0.942 0.577 CB 1.579 53 residues pruned to eliminate duplicates Z: 14 20.567 1.993 0.661 0.877 0.923 0.846 CA 1.356 14 residues pruned to eliminate duplicates Z: 24 20.135 2.137 0.941 0.542 0.783 0.609 CB 1.241 24 residues pruned to eliminate duplicates Z: 68 53.558 2.196 1.050 0.588 0.910 0.627 CB 1.466 68 residues pruned to eliminate duplicates Z: 24 53.119 2.202 1.138 0.962 1.000 0.348 CB 1.610 24 residues pruned to eliminate duplicates Z: 29 36.807 1.996 0.854 0.896 0.964 0.750 CA 1.396 29 residues pruned to eliminate duplicates Z: 13 21.936 2.097 0.409 0.853 0.917 0.833 CA 1.727 13 residues pruned to eliminate duplicates Z: 13 17.537 1.905 0.561 0.816 1.000 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 14 32.292 2.404 0.849 0.897 0.923 0.769 CB 1.562 14 residues pruned to eliminate duplicates Z: 26 44.333 2.158 1.020 0.922 1.000 0.840 CB 1.430 26 residues pruned to eliminate duplicates Z: 26 43.352 2.120 0.951 0.926 1.000 0.800 CB 1.470 26 residues pruned to eliminate duplicates Z: 13 21.126 2.080 0.651 0.800 0.917 0.583 CA 1.490 13 residues pruned to eliminate duplicates Z: 25 56.545 2.246 1.306 0.930 0.958 0.750 CB 1.626 25 residues pruned to eliminate duplicates Z: 26 42.418 2.155 0.955 0.920 0.960 0.880 CB 1.477 26 residues pruned to eliminate duplicates Z: 55 54.510 2.171 1.023 0.664 0.944 0.704 CB 1.536 50 residues pruned to eliminate duplicates Z: 27 46.192 2.140 1.102 0.919 0.962 0.808 CA 1.476 27 residues pruned to eliminate duplicates Z: 51 51.959 2.194 0.942 0.655 0.920 0.640 CB 1.623 51 residues pruned to eliminate duplicates Z: 12 11.207 1.875 0.420 0.524 0.818 0.545 CB 1.515 12 residues pruned to eliminate duplicates Z: 26 46.223 2.161 1.038 0.938 1.000 0.640 CB 1.459 26 residues pruned to eliminate duplicates Z: 12 18.797 1.984 0.555 0.854 1.000 0.818 CB 1.357 12 residues pruned to eliminate duplicates Z: 26 46.170 2.167 1.085 0.905 1.000 0.720 CB 1.455 26 residues pruned to eliminate duplicates Z: 39 50.622 2.189 1.049 0.745 0.921 0.711 CB 1.596 39 residues pruned to eliminate duplicates Z: 16 16.718 1.879 0.387 0.830 1.000 0.800 CA 1.245 16 residues pruned to eliminate duplicates Z: 51 59.870 2.254 1.144 0.655 0.960 0.620 CB 1.580 51 residues pruned to eliminate duplicates Z: 26 55.265 2.214 1.221 0.908 1.000 0.400 CB 1.597 26 residues pruned to eliminate duplicates Z: 41 48.219 2.142 0.950 0.766 0.975 0.700 CB 1.479 38 residues pruned to eliminate duplicates Z: 50 42.150 2.150 0.885 0.690 0.878 0.694 CB 1.423 50 residues pruned to eliminate duplicates Z: 15 27.467 2.258 0.814 0.804 0.857 0.429 CB 1.604 15 residues pruned to eliminate duplicates Z: 16 21.740 1.893 0.739 0.823 1.000 0.667 CA 1.289 16 residues pruned to eliminate duplicates Z: 51 51.632 2.144 1.010 0.690 0.940 0.720 CB 1.515 47 residues pruned to eliminate duplicates Z: 26 49.494 2.282 1.070 0.890 0.960 0.720 CA 1.570 26 residues pruned to eliminate duplicates Z: 26 44.289 2.163 0.875 0.949 0.960 0.800 CA 1.570 26 residues pruned to eliminate duplicates Z: 22 26.754 2.162 0.544 0.678 0.905 0.524 CB 1.640 22 residues pruned to eliminate duplicates Z: 14 28.164 2.247 0.728 0.936 1.000 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 21 15.519 1.791 0.627 0.383 0.900 0.700 CB 1.499 21 residues pruned to eliminate duplicates Z: 16 14.701 1.990 0.430 0.430 0.867 0.600 CA 1.656 16 residues pruned to eliminate duplicates Z: 35 27.661 2.183 0.524 0.564 0.794 0.500 CB 1.687 35 residues pruned to eliminate duplicates Z: 14 15.864 2.038 0.133 0.886 0.923 0.846 CA 1.489 14 residues pruned to eliminate duplicates Z: 11 11.588 1.793 0.962 0.485 0.800 0.500 CB 1.322 11 residues pruned to eliminate duplicates Z: 16 26.762 2.152 0.667 0.823 0.933 0.600 CA 1.560 16 residues pruned to eliminate duplicates Z: 10 11.536 1.933 0.665 0.534 0.889 0.556 CB 1.300 Z: 19 28.713 2.012 0.745 0.832 0.944 0.556 CB 1.532 19 residues pruned to eliminate duplicates Z: 53 42.464 2.105 0.795 0.688 0.923 0.654 CB 1.422 53 residues pruned to eliminate duplicates Z: 13 16.166 2.105 0.491 0.616 0.917 0.750 CB 1.454 Z: 27 49.470 2.269 1.202 0.895 0.885 0.808 CA 1.573 27 residues pruned to eliminate duplicates Z: 6 10.433 1.837 0.638 0.694 1.000 0.800 CB 1.299 6 residues pruned to eliminate duplicates Z: 61 45.122 2.106 0.902 0.650 0.883 0.633 CB 1.432 61 residues pruned to eliminate duplicates Z: 26 44.328 2.095 0.962 0.922 0.960 0.800 CA 1.580 26 residues pruned to eliminate duplicates Z: 34 33.287 2.221 0.620 0.616 0.848 0.606 CB 1.700 34 residues pruned to eliminate duplicates Z: 54 44.633 2.203 0.775 0.610 0.925 0.660 CB 1.527 54 residues pruned to eliminate duplicates Z: 25 41.890 2.176 0.662 0.931 1.000 0.792 CA 1.651 25 residues pruned to eliminate duplicates Z: 90 37.990 2.034 0.694 0.497 0.888 0.539 CB 1.321 90 residues pruned to eliminate duplicates Z: 26 46.110 2.187 0.985 0.929 0.960 0.840 CA 1.549 26 residues pruned to eliminate duplicates Z: 68 62.031 2.229 1.088 0.596 0.910 0.582 CB 1.631 68 residues pruned to eliminate duplicates Z: 17 22.480 1.842 0.721 0.860 1.000 0.688 CA 1.303 14 residues pruned to eliminate duplicates Z: 27 41.833 2.114 0.840 0.931 1.000 0.808 CA 1.474 27 residues pruned to eliminate duplicates Z: 26 46.779 2.241 1.024 0.871 0.960 0.720 CA 1.567 26 residues pruned to eliminate duplicates Z: 10 18.409 2.047 0.806 0.587 0.889 0.667 CB 1.718 10 residues pruned to eliminate duplicates Z: 74 53.994 2.150 1.011 0.547 0.877 0.562 CB 1.593 74 residues pruned to eliminate duplicates Z: 26 38.701 2.134 0.698 0.919 1.000 0.840 CB 1.505 26 residues pruned to eliminate duplicates Z: 57 48.019 2.126 1.001 0.640 0.911 0.696 CB 1.453 57 residues pruned to eliminate duplicates Z: 17 14.901 2.098 0.548 0.462 0.875 0.250 CB 1.362 Z: 10 8.210 1.661 0.550 0.351 1.000 0.444 N 1.250 Z: 6 6.180 1.886 -0.138 0.635 1.000 0.400 CB 1.497 Z: 14 17.675 2.019 0.267 0.878 0.923 0.538 CA 1.507 14 residues pruned to eliminate duplicates Z: 65 53.162 2.148 1.040 0.565 0.906 0.562 CB 1.572 65 residues pruned to eliminate duplicates Z: 14 17.768 2.008 0.657 0.623 0.923 0.769 CB 1.429 13 residues pruned to eliminate duplicates Z: 60 53.466 2.215 0.996 0.647 0.915 0.644 CB 1.500 60 residues pruned to eliminate duplicates Z: 26 41.646 2.132 0.897 0.917 1.000 0.760 CB 1.454 26 residues pruned to eliminate duplicates Z: 97 59.581 2.175 0.859 0.628 0.896 0.573 CB 1.489 107 residues pruned to eliminate duplicates Z: 12 11.667 1.919 0.415 0.573 0.818 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 21 44.725 2.262 0.858 0.950 1.000 0.800 CA 1.641 21 residues pruned to eliminate duplicates Z: 7 4.899 1.902 0.192 0.384 0.833 0.667 CB 1.198 7 residues pruned to eliminate duplicates Z: 26 53.927 2.197 1.318 0.903 0.960 0.800 CB 1.572 26 residues pruned to eliminate duplicates Z: 72 51.444 2.158 0.913 0.604 0.915 0.620 CB 1.464 72 residues pruned to eliminate duplicates Z: 26 45.696 2.132 1.160 0.925 1.000 0.760 CB 1.392 26 residues pruned to eliminate duplicates Z: 14 19.617 1.821 0.640 0.867 1.000 0.846 CB 1.334 12 residues pruned to eliminate duplicates Z: 37 27.680 2.123 0.544 0.558 0.833 0.556 CB 1.596 37 residues pruned to eliminate duplicates Z: 10 12.489 1.739 1.072 0.535 0.778 0.667 CB 1.436 10 residues pruned to eliminate duplicates Z: 25 28.601 2.179 1.062 0.457 0.917 0.708 CB 1.480 37 residues pruned to eliminate duplicates Z: 37 28.357 1.985 0.770 0.545 0.889 0.611 CB 1.448 37 residues pruned to eliminate duplicates Z: 13 14.270 2.178 0.725 0.386 0.750 0.333 CB 1.649 13 residues pruned to eliminate duplicates Z: 29 46.993 2.143 1.018 0.862 1.000 0.429 CA 1.508 29 residues pruned to eliminate duplicates Z: 26 46.453 2.300 0.942 0.891 0.960 0.800 CA 1.558 26 residues pruned to eliminate duplicates Z: 25 43.396 2.191 0.808 0.927 1.000 0.792 CB 1.566 25 residues pruned to eliminate duplicates Z: 26 44.655 2.175 0.999 0.918 0.960 0.840 CB 1.509 26 residues pruned to eliminate duplicates Z: 61 43.239 2.092 0.901 0.628 0.850 0.600 CB 1.463 61 residues pruned to eliminate duplicates Z: 9 14.645 1.979 1.032 0.636 0.750 0.750 CA 1.512 9 residues pruned to eliminate duplicates Z: 16 16.516 1.792 0.557 0.855 0.867 0.600 CA 1.301 16 residues pruned to eliminate duplicates Z: 36 44.326 2.184 0.817 0.747 1.000 0.657 CB 1.514 36 residues pruned to eliminate duplicates Z: 40 40.159 2.236 1.181 0.437 0.872 0.615 CB 1.615 40 residues pruned to eliminate duplicates Z: 26 41.449 2.142 0.808 0.931 1.000 0.920 CB 1.497 26 residues pruned to eliminate duplicates Z: 41 30.852 2.135 0.603 0.580 0.900 0.475 CB 1.467 41 residues pruned to eliminate duplicates Z: 10 10.475 1.851 0.700 0.472 0.778 0.444 CB 1.468 10 residues pruned to eliminate duplicates Z: 24 50.258 2.212 1.107 0.948 0.957 0.652 CB 1.623 24 residues pruned to eliminate duplicates Z: 14 12.933 1.840 1.236 0.535 0.692 0.692 CB 1.216 14 residues pruned to eliminate duplicates Z: 14 26.280 2.219 0.664 0.873 0.923 0.615 CA 1.558 14 residues pruned to eliminate duplicates Z: 24 42.427 2.186 0.817 0.946 1.000 0.696 CB 1.541 24 residues pruned to eliminate duplicates Z: 17 20.292 2.144 0.755 0.517 0.875 0.500 CB 1.514 17 residues pruned to eliminate duplicates Z: 21 10.111 1.849 0.365 0.424 0.900 0.550 CB 1.077 21 residues pruned to eliminate duplicates Z: 65 61.747 2.229 1.114 0.624 0.906 0.672 CB 1.607 65 residues pruned to eliminate duplicates Z: 20 17.888 1.995 0.789 0.393 0.895 0.579 CB 1.438 20 residues pruned to eliminate duplicates Z: 14 28.758 2.393 0.436 0.912 1.000 0.846 CB 1.644 14 residues pruned to eliminate duplicates Z: 13 15.389 1.884 0.603 0.755 0.917 0.667 CB 1.279 13 residues pruned to eliminate duplicates Z: 14 25.814 2.324 0.595 0.892 0.923 0.538 CB 1.504 14 residues pruned to eliminate duplicates Z: 47 34.076 2.171 0.752 0.565 0.826 0.457 CB 1.502 47 residues pruned to eliminate duplicates Z: 48 27.772 2.118 0.549 0.568 0.872 0.489 CB 1.326 48 residues pruned to eliminate duplicates Z: 16 21.871 1.917 0.774 0.762 1.000 0.467 CA 1.316 16 residues pruned to eliminate duplicates Z: 13 18.036 1.916 0.526 0.876 0.917 0.917 CA 1.412 13 residues pruned to eliminate duplicates Z: 53 48.227 2.234 0.920 0.654 0.923 0.750 CB 1.463 53 residues pruned to eliminate duplicates Z: 15 18.926 1.877 0.439 0.880 1.000 0.786 CB 1.358 15 residues pruned to eliminate duplicates Z: 29 24.469 2.133 0.752 0.436 0.750 0.571 CB 1.763 29 residues pruned to eliminate duplicates Z: 9 4.376 1.748 -0.271 0.556 0.875 0.625 CB 1.313 Z: 71 50.451 2.190 0.925 0.574 0.900 0.629 CB 1.480 71 residues pruned to eliminate duplicates Z: 33 34.876 2.230 0.498 0.621 0.938 0.594 CB 1.756 33 residues pruned to eliminate duplicates Z: 33 48.617 2.177 1.097 0.811 0.969 0.594 CB 1.482 33 residues pruned to eliminate duplicates Z: 24 43.526 2.175 0.824 0.932 1.000 0.652 CA 1.598 24 residues pruned to eliminate duplicates Z: 27 41.018 2.147 1.008 0.904 0.885 0.692 CA 1.502 27 residues pruned to eliminate duplicates Z: 16 26.598 2.179 0.899 0.826 0.800 0.400 CB 1.564 15 residues pruned to eliminate duplicates Z: 35 30.484 2.112 0.778 0.626 0.912 0.471 CB 1.356 35 residues pruned to eliminate duplicates Z: 24 52.457 2.230 1.042 0.955 1.000 0.783 CB 1.651 24 residues pruned to eliminate duplicates Z: 14 30.542 2.104 0.871 0.882 1.000 0.615 CA 1.557 14 residues pruned to eliminate duplicates Z: 8 8.272 2.129 -0.366 0.884 1.000 0.857 CB 1.673 Z: 15 22.672 1.987 0.748 0.808 1.000 0.571 CA 1.334 15 residues pruned to eliminate duplicates Z: 11 21.845 2.191 1.152 0.648 0.800 0.700 CB 1.596 11 residues pruned to eliminate duplicates Z: 12 29.608 2.306 0.801 0.882 1.000 0.545 CB 1.555 12 residues pruned to eliminate duplicates Z: 26 19.624 1.934 0.891 0.536 0.760 0.520 CB 1.363 26 residues pruned to eliminate duplicates Z: 21 19.716 2.092 0.953 0.540 0.750 0.600 CB 1.384 21 residues pruned to eliminate duplicates Z: 26 51.297 2.264 1.041 0.879 0.960 0.640 CA 1.678 26 residues pruned to eliminate duplicates Z: 10 9.333 1.761 0.783 0.570 0.778 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 20 20.736 2.116 0.863 0.493 0.789 0.526 CB 1.540 20 residues pruned to eliminate duplicates Z: 35 27.485 2.152 0.641 0.537 0.794 0.588 CB 1.620 35 residues pruned to eliminate duplicates Z: 26 46.850 2.190 0.967 0.933 1.000 0.760 CA 1.518 26 residues pruned to eliminate duplicates Z: 16 19.586 2.106 0.742 0.620 0.933 0.600 CB 1.318 16 residues pruned to eliminate duplicates Z: 28 43.533 2.192 1.062 0.873 0.852 0.296 CA 1.585 28 residues pruned to eliminate duplicates Z: 28 16.896 1.900 0.383 0.526 0.815 0.444 N 1.479 27 residues pruned to eliminate duplicates Z: 13 7.420 1.900 0.282 0.448 0.750 0.417 CB 1.236 13 residues pruned to eliminate duplicates Z: 8 12.590 2.014 0.664 0.610 0.857 0.714 CB 1.492 8 residues pruned to eliminate duplicates Z: 7 2.604 1.821 0.366 0.493 0.833 0.667 CB 0.517 7 residues pruned to eliminate duplicates Z: 9 18.924 1.886 1.432 0.615 0.875 0.875 N 1.495 9 residues pruned to eliminate duplicates Z: 30 49.921 2.113 1.203 0.805 0.966 0.724 CB 1.581 30 residues pruned to eliminate duplicates Z: 14 6.992 1.966 0.600 0.376 0.692 0.462 CB 1.016 14 residues pruned to eliminate duplicates Z: 6 3.703 1.880 -0.323 0.783 0.800 0.600 CB 1.269 5 residues pruned to eliminate duplicates Z: 26 44.682 2.078 1.151 0.907 0.960 0.680 CB 1.480 26 residues pruned to eliminate duplicates Z: 26 29.321 2.079 0.693 0.653 0.920 0.600 CB 1.571 26 residues pruned to eliminate duplicates Z: 6 4.031 1.709 0.144 0.296 0.800 0.800 CB 1.448 Z: 25 31.453 2.194 0.963 0.482 0.958 0.750 CA 1.584 26 residues pruned to eliminate duplicates Z: 12 11.742 2.163 0.862 0.413 0.818 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 16 22.073 1.918 0.870 0.777 0.933 0.333 CA 1.333 16 residues pruned to eliminate duplicates Z: 26 45.246 2.162 1.021 0.924 1.000 0.880 CB 1.455 26 residues pruned to eliminate duplicates Z: 6 5.698 1.946 0.042 0.483 0.800 0.600 CB 1.597 7 residues pruned to eliminate duplicates Z: 54 43.557 2.083 0.872 0.653 0.962 0.679 CB 1.383 54 residues pruned to eliminate duplicates Z: 10 14.353 2.381 0.371 0.559 0.889 0.556 CB 1.557 4 residues pruned to eliminate duplicates Z: 22 30.402 2.189 0.635 0.696 0.905 0.619 CB 1.714 22 residues pruned to eliminate duplicates Z: 8 9.513 1.841 0.726 0.525 0.857 0.571 CB 1.288 8 residues pruned to eliminate duplicates Z: 58 50.953 2.178 1.104 0.604 0.895 0.526 CB 1.491 64 residues pruned to eliminate duplicates Z: 40 50.050 2.215 0.972 0.746 0.974 0.744 CB 1.511 40 residues pruned to eliminate duplicates Z: 6 6.080 1.816 -0.238 0.741 1.000 0.600 CB 1.582 Z: 34 53.883 2.356 1.230 0.712 0.939 0.576 CB 1.567 34 residues pruned to eliminate duplicates Z: 25 16.060 2.017 0.702 0.386 0.792 0.375 CB 1.361 25 residues pruned to eliminate duplicates Z: 15 29.824 2.291 0.678 0.901 0.929 0.500 CB 1.594 15 residues pruned to eliminate duplicates Z: 15 11.846 1.789 0.451 0.522 0.857 0.571 CA 1.392 10 residues pruned to eliminate duplicates Z: 25 28.705 2.064 0.547 0.738 0.958 0.583 CB 1.547 25 residues pruned to eliminate duplicates Z: 48 53.893 2.259 1.072 0.693 0.957 0.638 CB 1.470 48 residues pruned to eliminate duplicates Z: 26 47.219 2.140 1.065 0.901 0.960 0.640 CB 1.589 26 residues pruned to eliminate duplicates Z: 26 44.571 2.102 1.254 0.893 0.920 0.840 CB 1.468 26 residues pruned to eliminate duplicates Z: 16 20.520 1.891 0.582 0.808 1.000 0.867 CA 1.354 16 residues pruned to eliminate duplicates Z: 26 55.165 2.200 1.353 0.944 1.000 0.560 CB 1.476 26 residues pruned to eliminate duplicates Z: 26 23.236 2.054 0.506 0.657 0.920 0.480 CB 1.411 26 residues pruned to eliminate duplicates Z: 19 31.276 2.149 0.751 0.745 1.000 0.611 CB 1.574 19 residues pruned to eliminate duplicates Z: 75 49.910 2.145 0.877 0.578 0.905 0.635 CB 1.476 75 residues pruned to eliminate duplicates Z: 50 54.935 2.201 1.092 0.699 0.918 0.633 CB 1.547 50 residues pruned to eliminate duplicates Z: 25 47.600 2.200 1.040 0.954 1.000 0.917 CB 1.489 25 residues pruned to eliminate duplicates Z: 14 15.509 1.830 0.364 0.852 0.923 0.538 CB 1.381 14 residues pruned to eliminate duplicates Z: 8 14.193 1.707 1.093 0.642 1.000 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 6 2.141 1.689 0.701 0.303 0.600 0.400 CB 0.692 5 residues pruned to eliminate duplicates Z: 26 49.695 2.203 1.038 0.892 1.000 0.720 CA 1.591 26 residues pruned to eliminate duplicates Z: 11 6.512 1.811 0.314 0.294 0.800 0.200 CA 1.362 Z: 18 14.980 2.008 0.688 0.405 0.882 0.235 CB 1.343 18 residues pruned to eliminate duplicates Z: 26 45.500 2.138 0.962 0.934 1.000 0.920 CB 1.512 26 residues pruned to eliminate duplicates Z: 8 5.675 1.838 0.342 0.527 0.857 0.429 CB 0.988 Z: 12 10.089 1.749 0.544 0.473 0.818 0.455 CB 1.414 12 residues pruned to eliminate duplicates Z: 25 46.322 2.147 1.099 0.926 0.917 0.333 CB 1.605 25 residues pruned to eliminate duplicates Z: 49 47.039 2.169 0.940 0.685 0.896 0.583 CB 1.521 49 residues pruned to eliminate duplicates Z: 15 21.117 1.993 0.556 0.846 1.000 0.857 CA 1.353 15 residues pruned to eliminate duplicates Z: 57 51.162 2.144 0.921 0.642 0.946 0.643 CB 1.535 57 residues pruned to eliminate duplicates Z: 26 22.784 2.095 0.602 0.564 0.920 0.520 CB 1.387 26 residues pruned to eliminate duplicates Z: 58 51.530 2.189 0.988 0.635 0.895 0.684 CB 1.545 58 residues pruned to eliminate duplicates Z: 7 12.595 2.028 0.992 0.517 0.833 0.667 CB 1.501 6 residues pruned to eliminate duplicates Z: 31 53.657 2.323 1.000 0.802 0.967 0.633 CA 1.675 31 residues pruned to eliminate duplicates Z: 13 11.359 2.005 0.495 0.502 0.917 0.500 CB 1.191 13 residues pruned to eliminate duplicates Z: 23 22.767 2.208 0.523 0.650 0.864 0.591 CA 1.454 23 residues pruned to eliminate duplicates Z: 26 53.293 2.246 1.140 0.886 0.960 0.560 CA 1.666 26 residues pruned to eliminate duplicates Z: 28 50.525 2.220 0.999 0.875 1.000 0.815 CA 1.593 28 residues pruned to eliminate duplicates Z: 16 23.521 2.125 0.819 0.528 0.933 0.600 CB 1.638 16 residues pruned to eliminate duplicates Z: 17 10.121 1.821 0.675 0.421 0.812 0.500 CB 1.109 17 residues pruned to eliminate duplicates Z: 15 24.446 2.000 0.858 0.795 1.000 0.500 CA 1.357 15 residues pruned to eliminate duplicates Z: 52 69.100 2.283 1.214 0.700 0.961 0.745 CB 1.660 52 residues pruned to eliminate duplicates Z: 15 17.187 1.922 0.227 0.886 1.000 0.786 CA 1.405 15 residues pruned to eliminate duplicates Z: 33 24.640 2.063 0.984 0.533 0.844 0.562 CB 1.222 33 residues pruned to eliminate duplicates Z: 39 25.418 2.072 0.717 0.487 0.789 0.474 CB 1.488 39 residues pruned to eliminate duplicates Z: 49 47.125 2.177 0.987 0.690 0.938 0.667 CB 1.410 49 residues pruned to eliminate duplicates Z: 31 18.834 1.997 0.886 0.372 0.733 0.400 CB 1.428 31 residues pruned to eliminate duplicates Z: 13 11.573 1.783 0.531 0.610 0.917 0.583 CB 1.203 13 residues pruned to eliminate duplicates Z: 27 45.930 2.054 1.066 0.909 0.962 0.423 CA 1.567 27 residues pruned to eliminate duplicates Z: 6 6.335 1.816 -0.247 0.867 1.000 1.000 N 1.516 Z: 6 18.959 2.100 1.220 0.706 1.000 1.000 N 1.507 11 residues pruned to eliminate duplicates Z: 12 14.464 1.864 0.353 0.920 0.909 0.727 CB 1.340 12 residues pruned to eliminate duplicates Z: 22 25.528 2.335 0.538 0.730 0.810 0.571 CB 1.557 22 residues pruned to eliminate duplicates Z: 26 46.421 2.145 0.927 0.920 1.000 0.880 CA 1.582 26 residues pruned to eliminate duplicates Z: 11 14.997 2.021 1.085 0.580 0.900 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 43 49.490 2.168 1.071 0.710 0.929 0.810 CB 1.514 43 residues pruned to eliminate duplicates Z: 26 49.821 2.207 1.049 0.921 1.000 0.720 CA 1.550 26 residues pruned to eliminate duplicates Z: 6 8.887 1.868 0.834 0.623 0.800 0.800 CB 1.291 6 residues pruned to eliminate duplicates Z: 50 42.437 2.044 0.885 0.686 0.918 0.714 CB 1.445 50 residues pruned to eliminate duplicates Z: 27 51.987 2.119 1.163 0.908 1.000 0.385 CB 1.580 27 residues pruned to eliminate duplicates Z: 12 13.349 1.892 0.501 0.562 0.909 0.636 CB 1.468 12 residues pruned to eliminate duplicates Z: 26 41.297 2.147 0.900 0.917 1.000 0.760 CB 1.428 26 residues pruned to eliminate duplicates Z: 19 27.657 2.212 0.988 0.607 0.833 0.556 CB 1.607 19 residues pruned to eliminate duplicates Z: 11 19.159 1.990 0.852 0.852 0.900 0.700 CB 1.351 11 residues pruned to eliminate duplicates Z: 9 6.731 1.826 -0.250 0.785 0.875 0.750 CB 1.546 Z: 6 5.736 1.869 0.267 0.619 0.800 0.600 CB 1.209 Z: 12 11.849 1.811 0.858 0.550 0.909 0.545 CB 1.113 Z: 35 49.072 2.222 0.993 0.803 0.971 0.706 CB 1.502 35 residues pruned to eliminate duplicates Z: 23 11.159 2.101 0.223 0.376 0.682 0.364 CB 1.550 23 residues pruned to eliminate duplicates Z: 8 9.876 1.626 0.457 0.724 1.000 1.000 CA 1.287 8 residues pruned to eliminate duplicates Z: 13 7.097 1.742 0.224 0.567 0.750 0.667 N 1.201 7 residues pruned to eliminate duplicates Z: 12 13.096 1.915 0.584 0.524 0.909 0.455 CB 1.399 12 residues pruned to eliminate duplicates Z: 7 6.826 1.749 0.448 0.567 0.833 0.500 CB 1.237 7 residues pruned to eliminate duplicates Z: 10 5.646 1.690 -0.060 0.616 0.889 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 12 6.604 1.724 0.370 0.435 0.636 0.545 C 1.416 Z: 24 46.758 2.135 1.068 0.911 1.000 0.565 CA 1.565 24 residues pruned to eliminate duplicates Z: 15 17.513 1.937 0.419 0.810 0.929 0.643 CA 1.400 15 residues pruned to eliminate duplicates Z: 10 6.144 1.912 -0.044 0.686 0.778 0.778 CB 1.214 11 residues pruned to eliminate duplicates Z: 15 6.123 1.677 0.626 0.275 0.643 0.357 CB 1.204 15 residues pruned to eliminate duplicates Z: 25 31.468 2.091 0.514 0.936 0.958 0.792 CA 1.475 25 residues pruned to eliminate duplicates Z: 7 6.488 1.804 0.157 0.730 0.833 0.833 CB 1.237 Z: 38 48.934 2.217 1.073 0.764 0.973 0.784 CB 1.423 38 residues pruned to eliminate duplicates Z: 53 56.965 2.229 1.159 0.701 0.904 0.558 CB 1.513 53 residues pruned to eliminate duplicates Z: 12 14.425 2.040 0.499 0.535 0.909 0.455 CB 1.511 12 residues pruned to eliminate duplicates Z: 74 46.316 2.060 0.809 0.658 0.877 0.658 CB 1.432 74 residues pruned to eliminate duplicates Z: 9 12.878 1.906 1.024 0.746 1.000 0.750 CB 0.948 Z: 16 12.371 1.825 0.545 0.523 0.867 0.667 CB 1.278 16 residues pruned to eliminate duplicates Z: 25 52.940 2.209 1.054 0.947 1.000 0.875 CA 1.646 25 residues pruned to eliminate duplicates Z: 9 6.123 1.875 0.448 0.355 0.750 0.375 CB 1.244 9 residues pruned to eliminate duplicates Z: 12 15.394 1.940 0.786 0.551 0.909 0.545 CB 1.402 13 residues pruned to eliminate duplicates Z: 6 3.933 1.637 0.402 0.622 0.800 0.800 CA 0.854 6 residues pruned to eliminate duplicates Z: 31 47.321 2.136 1.127 0.759 0.933 0.867 CB 1.618 31 residues pruned to eliminate duplicates Z: 15 24.629 1.999 0.820 0.818 1.000 0.643 CA 1.372 15 residues pruned to eliminate duplicates Z: 16 22.441 1.937 0.645 0.837 0.933 0.800 CA 1.458 16 residues pruned to eliminate duplicates Z: 24 53.372 2.353 1.058 0.919 1.000 0.783 CA 1.620 24 residues pruned to eliminate duplicates Z: 15 20.154 1.929 0.406 0.881 1.000 0.857 CA 1.439 15 residues pruned to eliminate duplicates Z: 7 4.110 1.648 -0.023 0.493 0.833 0.500 N 1.259 Z: 10 3.439 1.616 0.391 0.527 0.889 0.333 CB 0.559 Z: 25 44.902 2.184 1.052 0.955 0.958 0.750 CB 1.467 25 residues pruned to eliminate duplicates Z: 14 12.179 1.895 0.478 0.430 0.923 0.462 CB 1.406 14 residues pruned to eliminate duplicates Z: 13 13.736 1.947 0.990 0.401 0.833 0.500 CB 1.363 13 residues pruned to eliminate duplicates Z: 19 49.044 2.247 1.313 0.943 1.000 0.667 CB 1.542 19 residues pruned to eliminate duplicates Z: 34 54.189 2.233 1.063 0.806 0.970 0.758 CB 1.617 34 residues pruned to eliminate duplicates Z: 6 4.690 1.793 -0.114 0.672 1.000 1.000 CB 1.127 5 residues pruned to eliminate duplicates Z: 7 5.261 1.800 0.210 0.516 0.667 0.500 N 1.455 Z: 8 18.588 2.177 0.644 0.710 0.857 0.857 CB 1.894 8 residues pruned to eliminate duplicates Z: 14 34.744 2.386 0.796 0.910 1.000 0.615 CB 1.594 14 residues pruned to eliminate duplicates Z: 7 3.413 1.794 -0.291 0.797 1.000 0.833 CB 0.845 Z: 27 55.084 2.246 1.267 0.877 0.962 0.462 CA 1.602 27 residues pruned to eliminate duplicates Z: 47 56.672 2.282 1.031 0.717 0.935 0.761 CB 1.585 47 residues pruned to eliminate duplicates Z: 26 57.631 2.335 1.100 0.897 1.000 0.760 CA 1.683 26 residues pruned to eliminate duplicates Z: 25 49.660 2.210 1.036 0.957 1.000 0.917 CB 1.546 25 residues pruned to eliminate duplicates Z: 19 15.523 2.155 0.865 0.457 0.667 0.444 CB 1.426 19 residues pruned to eliminate duplicates Z: 27 46.756 2.127 0.981 0.954 0.962 0.731 CA 1.556 27 residues pruned to eliminate duplicates Z: 23 11.969 1.879 0.580 0.371 0.864 0.545 CB 1.143 23 residues pruned to eliminate duplicates Z: 27 33.410 2.055 0.649 0.905 1.000 0.885 CA 1.377 27 residues pruned to eliminate duplicates Z: 9 9.408 1.685 1.019 0.410 0.750 0.625 C 1.433 9 residues pruned to eliminate duplicates Z: 26 45.079 2.160 0.946 0.930 1.000 0.840 CB 1.500 26 residues pruned to eliminate duplicates Z: 17 10.651 1.974 0.446 0.445 0.812 0.500 CB 1.215 17 residues pruned to eliminate duplicates Z: 9 3.617 1.793 -0.086 0.476 0.750 0.500 CB 1.065 Z: 26 54.783 2.204 1.292 0.927 0.960 0.840 CA 1.584 26 residues pruned to eliminate duplicates Z: 14 9.201 1.720 0.413 0.526 0.846 0.615 CB 1.210 6 residues pruned to eliminate duplicates Z: 25 59.421 2.231 1.260 0.938 1.000 0.542 CB 1.673 25 residues pruned to eliminate duplicates Z: 10 6.907 1.716 0.693 0.454 0.889 0.444 CB 0.934 10 residues pruned to eliminate duplicates Z: 14 5.872 1.689 0.242 0.281 0.769 0.538 CB 1.292 14 residues pruned to eliminate duplicates Z: 13 17.084 1.977 0.485 0.812 0.917 0.583 CA 1.397 13 residues pruned to eliminate duplicates Z: 72 51.380 2.146 0.949 0.635 0.873 0.662 CB 1.470 72 residues pruned to eliminate duplicates Z: 66 61.927 2.254 1.005 0.652 0.908 0.631 CB 1.625 66 residues pruned to eliminate duplicates Z: 26 35.983 2.072 0.786 0.896 0.960 0.800 CB 1.451 26 residues pruned to eliminate duplicates Z: 26 58.355 2.227 1.346 0.909 0.960 0.320 CB 1.652 26 residues pruned to eliminate duplicates Z: 10 9.600 1.805 0.386 0.486 0.889 0.778 CA 1.460 10 residues pruned to eliminate duplicates Z: 10 22.443 2.107 0.781 0.675 1.000 0.444 CB 1.697 10 residues pruned to eliminate duplicates Z: 16 20.770 2.298 0.790 0.478 0.867 0.400 CB 1.539 16 residues pruned to eliminate duplicates Z: 45 45.184 2.098 0.859 0.744 0.977 0.727 CB 1.437 45 residues pruned to eliminate duplicates Z: 10 11.812 1.787 0.615 0.747 0.778 0.667 CB 1.406 10 residues pruned to eliminate duplicates Z: 13 6.756 1.450 0.469 0.556 0.917 0.500 CB 0.946 Z: 16 19.743 1.896 0.547 0.845 1.000 0.400 CA 1.293 15 residues pruned to eliminate duplicates Z: 15 22.364 1.903 0.563 0.891 1.000 0.714 CB 1.444 15 residues pruned to eliminate duplicates Z: 12 7.652 1.883 0.710 0.443 0.636 0.545 CA 1.195 12 residues pruned to eliminate duplicates Z: 17 16.041 2.073 0.749 0.395 0.875 0.375 CB 1.413 17 residues pruned to eliminate duplicates Z: 22 31.920 2.358 0.751 0.738 0.905 0.762 CB 1.506 23 residues pruned to eliminate duplicates Z: 46 43.132 2.145 1.122 0.658 0.844 0.533 CB 1.445 46 residues pruned to eliminate duplicates Z: 11 8.769 1.778 0.703 0.318 0.800 0.300 CB 1.399 11 residues pruned to eliminate duplicates Z: 27 39.608 2.046 0.911 0.897 1.000 0.654 CA 1.421 27 residues pruned to eliminate duplicates Z: 8 6.577 1.795 0.445 0.304 0.857 0.429 CB 1.391 8 residues pruned to eliminate duplicates Z: 8 4.866 1.898 0.199 0.194 0.857 0.571 CB 1.360 8 residues pruned to eliminate duplicates Z: 39 45.709 2.314 1.055 0.478 0.921 0.632 CA 1.730 39 residues pruned to eliminate duplicates Z: 18 14.080 1.716 0.615 0.494 0.882 0.706 CB 1.406 18 residues pruned to eliminate duplicates Z: 7 2.898 1.642 -0.150 0.475 0.667 0.333 N 1.304 Z: 7 3.751 1.457 0.520 0.429 0.667 0.333 CB 1.116 Z: 8 13.713 1.718 1.092 0.568 1.000 1.000 CA 1.350 7 residues pruned to eliminate duplicates Z: 6 5.778 1.788 -0.242 0.791 1.000 0.800 CB 1.477 6 residues pruned to eliminate duplicates Z: 6 6.877 1.779 0.410 0.464 1.000 0.600 CB 1.272 6 residues pruned to eliminate duplicates Z: 9 6.888 1.689 -0.096 0.741 1.000 1.000 CB 1.285 7 residues pruned to eliminate duplicates Z: 8 6.542 1.553 0.276 0.569 1.000 0.714 CB 1.166 8 residues pruned to eliminate duplicates Z: 11 8.762 1.634 0.803 0.636 0.900 0.900 CB 0.920 Z: 26 17.425 1.929 0.457 0.611 0.840 0.520 CB 1.329 26 residues pruned to eliminate duplicates Z: 44 46.035 2.076 0.977 0.746 0.953 0.651 CB 1.440 44 residues pruned to eliminate duplicates Z: 7 4.914 1.763 -0.128 0.724 1.000 0.833 CB 1.066 7 residues pruned to eliminate duplicates Z: 18 13.636 1.895 0.570 0.636 0.765 0.294 CA 1.280 18 residues pruned to eliminate duplicates Z: 53 46.096 2.115 0.933 0.658 0.962 0.615 CB 1.405 53 residues pruned to eliminate duplicates Z: 26 44.928 2.157 1.136 0.914 0.960 0.560 CB 1.437 26 residues pruned to eliminate duplicates Z: 27 46.921 2.148 1.200 0.918 0.923 0.577 CB 1.487 27 residues pruned to eliminate duplicates Z: 35 34.326 2.030 0.894 0.734 0.941 0.588 CB 1.319 35 residues pruned to eliminate duplicates Z: 19 20.820 2.018 1.020 0.610 0.778 0.722 CB 1.394 19 residues pruned to eliminate duplicates Z: 8 5.602 1.607 0.588 0.600 1.000 0.714 CB 0.754 Z: 6 6.207 1.760 0.923 0.832 1.000 1.000 CB 0.616 5 residues pruned to eliminate duplicates Z: 8 4.208 1.501 0.631 0.318 0.714 0.286 N 1.112 Z: 26 45.296 2.164 1.022 0.905 1.000 0.760 CB 1.473 26 residues pruned to eliminate duplicates Z: 9 4.645 1.672 0.031 0.453 1.000 0.625 CB 0.999 Z: 11 7.137 1.830 0.616 0.610 0.800 0.600 CB 0.860 11 residues pruned to eliminate duplicates 7 1.519 1.565 -0.048 0.236 0.667 0.333 CB 0.848 ? Z: 12 16.161 2.056 1.053 0.530 0.818 0.727 CB 1.370 12 residues pruned to eliminate duplicates Z: 14 18.020 2.020 0.714 0.841 0.846 0.615 CA 1.272 14 residues pruned to eliminate duplicates Z: 11 27.814 2.091 1.087 0.779 0.900 0.900 CA 1.752 11 residues pruned to eliminate duplicates Z: 13 19.357 1.822 1.016 0.711 0.917 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 7 6.061 1.813 -0.215 0.890 1.000 1.000 CB 1.250 7 residues pruned to eliminate duplicates Z: 17 20.090 1.716 0.760 0.861 0.938 0.562 CA 1.304 16 residues pruned to eliminate duplicates Z: 6 6.894 1.829 0.873 0.436 0.800 0.600 CA 1.202 6 residues pruned to eliminate duplicates Z: 7 3.313 1.528 -0.263 0.771 1.000 0.833 CB 0.945 7 residues pruned to eliminate duplicates Z: 22 15.226 1.898 0.625 0.465 0.905 0.476 CB 1.233 22 residues pruned to eliminate duplicates Z: 20 22.701 2.091 0.755 0.461 0.947 0.632 CB 1.558 20 residues pruned to eliminate duplicates Z: 14 17.151 1.821 0.342 0.902 1.000 0.538 CA 1.388 14 residues pruned to eliminate duplicates Z: 9 7.612 1.914 0.778 0.358 0.625 0.375 CB 1.475 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 11.086 1.883 0.412 0.442 0.917 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 18 11.486 1.806 0.477 0.448 0.882 0.588 CB 1.249 18 residues pruned to eliminate duplicates Z: 12 15.005 1.962 0.470 0.594 1.000 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 13 15.020 1.891 0.474 0.587 1.000 0.500 CB 1.431 13 residues pruned to eliminate duplicates Z: 12 14.181 1.946 0.488 0.610 0.909 0.818 CB 1.463 12 residues pruned to eliminate duplicates Z: 12 14.932 1.884 0.637 0.561 0.909 0.636 CB 1.514 12 residues pruned to eliminate duplicates Z: 11 7.989 1.797 0.579 0.439 0.800 0.500 CB 1.185 11 residues pruned to eliminate duplicates Z: 12 15.072 1.888 0.754 0.563 1.000 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 8 11.098 1.725 0.764 0.647 0.857 0.714 CB 1.403 8 residues pruned to eliminate duplicates Z: 16 14.315 1.841 0.396 0.552 1.000 0.533 CB 1.366 23 residues pruned to eliminate duplicates Z: 7 5.050 1.720 0.388 0.273 0.833 0.167 CB 1.341 7 residues pruned to eliminate duplicates Z: 12 11.416 1.961 0.692 0.452 0.818 0.545 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 10.890 1.901 0.783 0.424 0.750 0.417 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 12.924 1.971 0.650 0.477 0.833 0.500 CB 1.409 13 residues pruned to eliminate duplicates Z: 14 8.328 1.807 0.464 0.458 0.769 0.615 CB 1.184 14 residues pruned to eliminate duplicates Z: 18 16.327 2.027 0.912 0.396 0.824 0.294 CB 1.385 18 residues pruned to eliminate duplicates Z: 7 5.216 1.749 0.479 0.359 0.833 0.667 CA 1.149 7 residues pruned to eliminate duplicates Z: 24 26.747 2.178 0.739 0.443 1.000 0.609 CA 1.562 24 residues pruned to eliminate duplicates Z: 27 25.197 2.001 1.014 0.467 0.923 0.500 CA 1.374 27 residues pruned to eliminate duplicates Z: 24 25.913 2.114 0.868 0.426 0.957 0.565 CB 1.545 24 residues pruned to eliminate duplicates Z: 82 71.432 2.248 1.157 0.575 0.914 0.593 CB 1.666 82 residues pruned to eliminate duplicates Z: 33 26.409 2.053 1.008 0.350 0.938 0.531 CA 1.422 33 residues pruned to eliminate duplicates Z: 90 67.871 2.257 1.099 0.586 0.865 0.573 CB 1.616 90 residues pruned to eliminate duplicates Z: 76 68.548 2.252 1.182 0.604 0.880 0.640 CB 1.658 76 residues pruned to eliminate duplicates Z: 25 22.854 2.116 1.249 0.424 0.708 0.500 CB 1.497 25 residues pruned to eliminate duplicates Z: 24 20.478 2.027 1.039 0.340 0.826 0.565 CA 1.489 24 residues pruned to eliminate duplicates Z: 21 26.338 2.063 1.192 0.407 0.900 0.600 CB 1.595 21 residues pruned to eliminate duplicates Z: 70 64.468 2.233 1.180 0.602 0.899 0.638 CB 1.609 70 residues pruned to eliminate duplicates Z: 83 68.502 2.185 1.130 0.625 0.902 0.646 CB 1.601 107 residues pruned to eliminate duplicates Z: 9 6.261 1.651 0.693 0.478 0.750 0.625 CA 1.080 9 residues pruned to eliminate duplicates Z: 57 71.099 2.259 1.318 0.651 0.946 0.661 CA 1.665 57 residues pruned to eliminate duplicates Z: 76 63.651 2.232 1.119 0.583 0.880 0.533 CB 1.630 76 residues pruned to eliminate duplicates Z: 16 11.416 1.975 0.701 0.321 0.800 0.467 CB 1.335 16 residues pruned to eliminate duplicates Z: 11 17.682 1.964 0.975 0.465 0.900 0.600 CB 1.659 11 residues pruned to eliminate duplicates Z: 24 29.814 2.123 1.334 0.495 0.826 0.609 CB 1.527 24 residues pruned to eliminate duplicates Z: 78 60.522 2.216 1.077 0.573 0.870 0.610 CB 1.605 78 residues pruned to eliminate duplicates Z: 71 69.886 2.260 1.217 0.593 0.929 0.629 CB 1.643 71 residues pruned to eliminate duplicates Z: 62 60.658 2.193 1.064 0.633 0.934 0.672 CB 1.621 62 residues pruned to eliminate duplicates Z: 90 70.982 2.271 1.113 0.555 0.910 0.596 CB 1.633 90 residues pruned to eliminate duplicates Z: 73 65.637 2.221 1.158 0.606 0.931 0.708 CB 1.568 73 residues pruned to eliminate duplicates Z: 53 61.325 2.308 1.198 0.629 0.904 0.692 CB 1.643 53 residues pruned to eliminate duplicates Z: 32 64.252 2.352 1.294 0.785 0.968 0.774 CA 1.720 32 residues pruned to eliminate duplicates Z: 49 60.960 2.251 1.324 0.640 0.875 0.542 CB 1.686 49 residues pruned to eliminate duplicates Z: 64 60.372 2.210 1.212 0.617 0.889 0.683 CB 1.567 64 residues pruned to eliminate duplicates Z: 70 55.781 2.193 1.087 0.579 0.913 0.623 CB 1.490 70 residues pruned to eliminate duplicates Z: 58 61.945 2.256 1.170 0.644 0.930 0.649 CB 1.575 58 residues pruned to eliminate duplicates Z: 77 64.343 2.256 1.159 0.564 0.895 0.645 CB 1.592 77 residues pruned to eliminate duplicates Z: 60 57.421 2.254 1.016 0.585 0.915 0.593 CB 1.657 60 residues pruned to eliminate duplicates Z: 67 56.843 2.214 1.158 0.569 0.848 0.591 CB 1.614 67 residues pruned to eliminate duplicates Z: 41 59.131 2.284 1.257 0.626 0.925 0.700 CB 1.741 41 residues pruned to eliminate duplicates Z: 72 62.131 2.231 1.161 0.593 0.873 0.648 CB 1.603 72 residues pruned to eliminate duplicates Z: 54 68.138 2.265 1.287 0.648 0.943 0.717 CA 1.669 54 residues pruned to eliminate duplicates Z: 77 62.862 2.239 1.052 0.575 0.895 0.605 CB 1.632 77 residues pruned to eliminate duplicates Z: 57 60.880 2.221 1.258 0.629 0.911 0.696 CB 1.577 57 residues pruned to eliminate duplicates Z: 60 54.400 2.223 1.100 0.575 0.881 0.695 CB 1.601 60 residues pruned to eliminate duplicates Z: 78 68.449 2.244 1.183 0.580 0.909 0.675 CB 1.623 78 residues pruned to eliminate duplicates Z: 76 65.148 2.233 1.096 0.601 0.907 0.707 CB 1.611 76 residues pruned to eliminate duplicates Z: 58 61.191 2.264 1.110 0.626 0.912 0.614 CB 1.652 58 residues pruned to eliminate duplicates Z: 88 72.910 2.268 1.193 0.575 0.885 0.609 CB 1.652 88 residues pruned to eliminate duplicates Z: 40 57.917 2.348 1.188 0.637 0.923 0.692 CB 1.720 40 residues pruned to eliminate duplicates Z: 37 62.360 2.317 1.353 0.680 0.944 0.694 CA 1.710 37 residues pruned to eliminate duplicates Z: 70 64.734 2.254 1.172 0.608 0.913 0.652 CB 1.573 70 residues pruned to eliminate duplicates Z: 74 70.315 2.244 1.207 0.606 0.932 0.658 CB 1.613 74 residues pruned to eliminate duplicates Z: 78 57.840 2.203 1.082 0.583 0.857 0.571 CB 1.548 78 residues pruned to eliminate duplicates Z: 31 73.528 2.410 1.482 0.786 0.967 0.733 CA 1.805 31 residues pruned to eliminate duplicates Z: 49 61.479 2.287 1.209 0.659 0.896 0.542 CB 1.693 49 residues pruned to eliminate duplicates Z: 59 59.376 2.186 1.300 0.598 0.897 0.586 CA 1.575 59 residues pruned to eliminate duplicates Z: 67 60.689 2.239 1.129 0.573 0.909 0.500 CB 1.606 67 residues pruned to eliminate duplicates Z: 42 56.921 2.257 1.383 0.677 0.951 0.512 CB 1.476 42 residues pruned to eliminate duplicates Z: 58 60.018 2.243 1.222 0.625 0.877 0.649 CB 1.617 58 residues pruned to eliminate duplicates Z: 66 59.904 2.228 1.129 0.603 0.892 0.585 CB 1.592 66 residues pruned to eliminate duplicates Z: 68 56.425 2.221 0.944 0.575 0.896 0.537 CB 1.658 68 residues pruned to eliminate duplicates Z: 49 64.260 2.289 1.184 0.700 0.958 0.708 CB 1.614 49 residues pruned to eliminate duplicates Z: 57 60.418 2.252 1.087 0.613 0.929 0.625 CB 1.663 57 residues pruned to eliminate duplicates Z: 65 64.179 2.258 1.094 0.619 0.891 0.578 CB 1.703 65 residues pruned to eliminate duplicates Z: 15 18.646 2.279 0.861 0.477 0.714 0.571 CB 1.683 15 residues pruned to eliminate duplicates Z: 18 19.037 2.014 0.784 0.490 0.882 0.529 CB 1.471 18 residues pruned to eliminate duplicates Z: 71 53.276 2.219 1.013 0.524 0.886 0.471 CB 1.572 71 residues pruned to eliminate duplicates Z: 69 64.485 2.265 1.108 0.605 0.882 0.588 CB 1.680 69 residues pruned to eliminate duplicates Z: 73 62.741 2.239 1.170 0.567 0.903 0.583 CB 1.579 73 residues pruned to eliminate duplicates Z: 70 60.830 2.266 1.216 0.598 0.870 0.551 CB 1.527 70 residues pruned to eliminate duplicates Z: 79 66.542 2.260 1.109 0.554 0.885 0.564 CB 1.696 79 residues pruned to eliminate duplicates Z: 61 53.958 2.202 1.081 0.601 0.883 0.550 CB 1.564 61 residues pruned to eliminate duplicates Z: 16 16.195 2.121 0.725 0.397 0.867 0.533 CB 1.470 16 residues pruned to eliminate duplicates Z: 11 7.065 2.041 0.556 0.237 0.900 0.300 CB 1.060 11 residues pruned to eliminate duplicates Z: 34 27.992 2.179 0.863 0.435 0.848 0.515 CB 1.513 34 residues pruned to eliminate duplicates Z: 7 23.886 2.319 1.270 0.591 1.000 0.833 CB 1.697 7 residues pruned to eliminate duplicates Z: 29 24.859 2.121 0.807 0.478 0.857 0.500 CB 1.463 29 residues pruned to eliminate duplicates Z: 20 25.052 2.261 0.906 0.502 0.789 0.579 CB 1.686 20 residues pruned to eliminate duplicates Z: 10 20.290 2.255 1.120 0.606 0.778 0.556 CB 1.645 10 residues pruned to eliminate duplicates Z: 11 14.413 2.178 1.234 0.558 0.700 0.600 CB 1.265 11 residues pruned to eliminate duplicates Z: 20 26.792 2.280 0.962 0.551 0.737 0.526 CB 1.774 20 residues pruned to eliminate duplicates Z: 17 23.952 2.160 0.995 0.597 0.750 0.625 CA 1.690 17 residues pruned to eliminate duplicates Z: 70 60.089 2.260 1.066 0.598 0.855 0.536 CB 1.651 70 residues pruned to eliminate duplicates Z: 13 15.906 2.138 0.544 0.450 0.833 0.417 CB 1.757 Z: 13 15.772 2.011 0.689 0.511 0.833 0.667 CA 1.591 13 residues pruned to eliminate duplicates Z: 17 24.609 2.255 0.801 0.622 0.812 0.688 CB 1.661 30 residues pruned to eliminate duplicates Z: 25 28.677 2.074 1.060 0.623 0.875 0.667 CB 1.394 25 residues pruned to eliminate duplicates Z: 11 17.422 2.106 0.848 0.594 0.900 0.600 CB 1.438 Z: 6 2.535 1.378 0.296 0.424 1.000 0.200 N 0.686 6 residues pruned to eliminate duplicates Z: 6 5.864 1.888 0.547 0.339 0.800 0.200 N 1.337 Z: 6 4.906 2.058 -0.104 0.426 1.000 0.600 CA 1.286 6 residues pruned to eliminate duplicates Z: 18 28.264 2.173 0.661 0.749 0.941 0.706 CB 1.615 28 residues pruned to eliminate duplicates Z: 16 26.074 2.278 0.614 0.810 0.867 0.400 CB 1.613 16 residues pruned to eliminate duplicates Z: 15 26.619 2.181 0.798 0.804 0.929 0.929 CB 1.499 15 residues pruned to eliminate duplicates Z: 23 31.760 2.245 0.698 0.723 0.955 0.545 CB 1.522 23 residues pruned to eliminate duplicates Z: 14 29.696 2.375 0.700 0.895 0.923 0.615 CB 1.584 15 residues pruned to eliminate duplicates Z: 13 38.818 2.359 1.089 0.922 1.000 0.583 CB 1.598 12 residues pruned to eliminate duplicates Z: 15 32.728 2.293 0.781 0.918 1.000 0.286 CB 1.510 15 residues pruned to eliminate duplicates Z: 22 23.473 2.311 0.694 0.588 0.810 0.381 CB 1.486 22 residues pruned to eliminate duplicates Z: 22 41.216 2.412 0.769 0.752 1.000 0.524 CB 1.684 22 residues pruned to eliminate duplicates Z: 14 27.452 2.258 0.913 0.775 0.923 0.462 CB 1.498 14 residues pruned to eliminate duplicates Z: 22 34.553 2.334 0.810 0.763 0.905 0.476 CB 1.562 22 residues pruned to eliminate duplicates Z: 20 33.921 2.384 0.907 0.688 0.842 0.263 CB 1.711 20 residues pruned to eliminate duplicates Z: 22 28.038 2.331 0.757 0.612 0.857 0.286 CB 1.567 22 residues pruned to eliminate duplicates Z: 13 32.137 2.349 1.197 0.842 0.833 0.417 CB 1.607 13 residues pruned to eliminate duplicates Z: 23 34.927 2.275 0.860 0.762 0.955 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 29 16.388 1.930 0.679 0.388 0.893 0.536 CB 1.206 29 residues pruned to eliminate duplicates Z: 20 18.381 2.019 0.878 0.446 0.842 0.579 CB 1.396 20 residues pruned to eliminate duplicates Z: 20 20.787 1.936 0.948 0.487 0.895 0.579 CB 1.431 24 residues pruned to eliminate duplicates Z: 6 10.756 1.919 0.664 0.587 1.000 0.800 CB 1.386 6 residues pruned to eliminate duplicates Z: 57 41.778 2.128 0.926 0.604 0.857 0.518 CB 1.440 57 residues pruned to eliminate duplicates Z: 23 14.111 1.976 0.659 0.345 0.818 0.409 CB 1.327 23 residues pruned to eliminate duplicates Z: 75 50.795 2.151 0.966 0.578 0.905 0.622 CB 1.431 87 residues pruned to eliminate duplicates Z: 22 14.886 1.974 0.623 0.382 0.857 0.429 CB 1.340 22 residues pruned to eliminate duplicates Z: 74 48.845 2.148 0.913 0.546 0.890 0.534 CB 1.494 74 residues pruned to eliminate duplicates Z: 88 54.143 2.153 0.914 0.590 0.908 0.586 CB 1.423 88 residues pruned to eliminate duplicates Z: 74 43.815 2.135 0.812 0.556 0.877 0.589 CB 1.432 74 residues pruned to eliminate duplicates Z: 67 54.657 2.195 1.017 0.620 0.894 0.712 CB 1.518 67 residues pruned to eliminate duplicates Z: 72 51.831 2.152 0.927 0.583 0.915 0.577 CB 1.496 72 residues pruned to eliminate duplicates Z: 52 46.698 2.225 0.871 0.623 0.922 0.608 CB 1.518 52 residues pruned to eliminate duplicates Z: 69 51.164 2.199 0.967 0.572 0.882 0.515 CB 1.516 69 residues pruned to eliminate duplicates Z: 50 57.991 2.270 1.108 0.696 0.939 0.633 CB 1.542 50 residues pruned to eliminate duplicates Z: 54 49.715 2.238 1.031 0.647 0.906 0.642 CB 1.446 54 residues pruned to eliminate duplicates Z: 58 46.966 2.204 0.935 0.600 0.930 0.596 CB 1.427 58 residues pruned to eliminate duplicates Z: 73 51.789 2.173 0.952 0.576 0.917 0.625 CB 1.459 73 residues pruned to eliminate duplicates Z: 51 54.032 2.281 1.123 0.660 0.900 0.620 CB 1.511 51 residues pruned to eliminate duplicates Z: 76 51.449 2.182 0.957 0.593 0.893 0.533 CB 1.426 76 residues pruned to eliminate duplicates Z: 53 55.791 2.247 1.139 0.635 0.904 0.654 CB 1.569 53 residues pruned to eliminate duplicates Z: 93 61.717 2.230 0.893 0.632 0.902 0.598 CB 1.492 93 residues pruned to eliminate duplicates Z: 72 52.346 2.177 1.008 0.558 0.901 0.648 CB 1.491 72 residues pruned to eliminate duplicates Z: 54 52.495 2.213 1.099 0.603 0.925 0.698 CB 1.522 54 residues pruned to eliminate duplicates Z: 46 64.512 2.343 1.135 0.731 0.956 0.644 CB 1.635 46 residues pruned to eliminate duplicates Z: 73 52.235 2.172 0.911 0.569 0.931 0.583 CB 1.491 73 residues pruned to eliminate duplicates Z: 51 54.135 2.260 1.029 0.655 0.940 0.660 CB 1.539 51 residues pruned to eliminate duplicates Z: 52 52.591 2.241 1.038 0.637 0.902 0.667 CB 1.572 52 residues pruned to eliminate duplicates Z: 37 57.162 2.329 1.261 0.750 0.917 0.694 CB 1.579 37 residues pruned to eliminate duplicates Z: 71 54.766 2.189 1.007 0.614 0.900 0.657 CB 1.486 71 residues pruned to eliminate duplicates Z: 72 50.319 2.186 1.001 0.575 0.873 0.648 CB 1.454 72 residues pruned to eliminate duplicates Z: 51 58.479 2.294 1.126 0.662 0.920 0.680 CB 1.587 51 residues pruned to eliminate duplicates Z: 53 51.879 2.260 1.003 0.648 0.904 0.635 CB 1.532 53 residues pruned to eliminate duplicates Z: 50 55.242 2.298 1.008 0.651 0.918 0.633 CB 1.619 50 residues pruned to eliminate duplicates Z: 52 56.755 2.283 1.148 0.657 0.922 0.667 CB 1.520 52 residues pruned to eliminate duplicates Z: 35 52.110 2.342 1.220 0.714 0.912 0.529 CB 1.553 35 residues pruned to eliminate duplicates Z: 72 52.541 2.178 1.021 0.570 0.901 0.563 CB 1.468 72 residues pruned to eliminate duplicates Z: 49 57.078 2.279 1.192 0.689 0.917 0.521 CB 1.514 49 residues pruned to eliminate duplicates Z: 34 59.763 2.380 1.184 0.793 0.970 0.667 CB 1.597 34 residues pruned to eliminate duplicates Z: 37 56.500 2.360 1.163 0.730 0.972 0.500 CB 1.543 37 residues pruned to eliminate duplicates Z: 36 53.116 2.309 1.157 0.684 0.943 0.600 CB 1.615 36 residues pruned to eliminate duplicates Z: 96 57.691 2.207 0.946 0.588 0.874 0.516 CB 1.450 96 residues pruned to eliminate duplicates Z: 57 49.969 2.196 1.075 0.604 0.893 0.554 CB 1.486 57 residues pruned to eliminate duplicates Z: 73 50.769 2.179 0.968 0.552 0.889 0.583 CB 1.492 73 residues pruned to eliminate duplicates Z: 51 55.088 2.284 1.151 0.648 0.900 0.540 CB 1.534 51 residues pruned to eliminate duplicates Z: 68 54.896 2.203 1.021 0.595 0.925 0.567 CB 1.488 68 residues pruned to eliminate duplicates Z: 52 54.981 2.258 1.092 0.644 0.922 0.490 CB 1.546 52 residues pruned to eliminate duplicates Z: 52 55.067 2.226 1.109 0.643 0.922 0.471 CB 1.560 52 residues pruned to eliminate duplicates Z: 54 56.368 2.247 1.112 0.623 0.943 0.509 CB 1.541 54 residues pruned to eliminate duplicates Z: 54 53.539 2.238 1.058 0.627 0.906 0.604 CB 1.565 54 residues pruned to eliminate duplicates Z: 51 59.361 2.261 1.079 0.660 0.960 0.620 CB 1.604 51 residues pruned to eliminate duplicates Z: 58 49.756 2.191 1.017 0.627 0.877 0.649 CB 1.509 58 residues pruned to eliminate duplicates Z: 16 20.706 2.088 1.093 0.505 0.867 0.467 CB 1.404 16 residues pruned to eliminate duplicates Z: 47 65.312 2.327 1.265 0.723 0.935 0.717 CB 1.599 47 residues pruned to eliminate duplicates Z: 75 50.240 2.152 0.997 0.558 0.865 0.459 CB 1.485 75 residues pruned to eliminate duplicates Z: 33 28.711 2.122 0.851 0.548 0.875 0.469 CB 1.408 33 residues pruned to eliminate duplicates Z: 53 57.414 2.279 1.173 0.659 0.923 0.673 CB 1.503 53 residues pruned to eliminate duplicates Z: 70 52.918 2.174 1.093 0.577 0.870 0.536 CB 1.495 70 residues pruned to eliminate duplicates Z: 53 53.902 2.234 1.071 0.669 0.923 0.558 CB 1.497 53 residues pruned to eliminate duplicates Z: 15 6.376 1.764 0.177 0.378 0.786 0.429 CB 1.190 27 residues pruned to eliminate duplicates Z: 72 56.569 2.179 1.021 0.603 0.901 0.606 CB 1.533 72 residues pruned to eliminate duplicates Z: 69 55.358 2.230 1.009 0.602 0.926 0.529 CB 1.468 69 residues pruned to eliminate duplicates Z: 61 50.169 2.202 1.142 0.613 0.867 0.450 CB 1.423 61 residues pruned to eliminate duplicates Z: 62 49.010 2.203 1.015 0.596 0.885 0.525 CB 1.458 62 residues pruned to eliminate duplicates Z: 14 15.175 1.844 1.022 0.527 0.846 0.538 CB 1.299 14 residues pruned to eliminate duplicates Z: 68 46.331 2.130 1.020 0.577 0.881 0.493 CB 1.387 76 residues pruned to eliminate duplicates Z: 18 26.056 2.155 1.116 0.593 0.882 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 47 32.567 2.143 0.785 0.534 0.913 0.478 CB 1.330 47 residues pruned to eliminate duplicates Z: 14 15.591 1.880 1.187 0.497 0.923 0.538 CB 1.143 14 residues pruned to eliminate duplicates Z: 19 24.451 2.154 1.118 0.543 0.833 0.611 CB 1.454 19 residues pruned to eliminate duplicates Z: 21 21.435 2.133 0.936 0.550 0.850 0.500 CB 1.301 21 residues pruned to eliminate duplicates Z: 8 4.612 1.738 0.991 0.182 0.714 0.429 CB 1.034 8 residues pruned to eliminate duplicates Z: 15 13.689 2.133 0.590 0.415 0.929 0.571 CB 1.271 15 residues pruned to eliminate duplicates Z: 21 22.159 2.100 1.041 0.528 0.850 0.550 CB 1.323 21 residues pruned to eliminate duplicates Z: 20 21.833 2.184 0.902 0.558 0.789 0.632 CB 1.443 20 residues pruned to eliminate duplicates Z: 21 16.547 2.159 0.721 0.485 0.750 0.500 CB 1.348 21 residues pruned to eliminate duplicates Z: 39 27.804 2.086 0.959 0.489 0.842 0.500 CB 1.325 39 residues pruned to eliminate duplicates Z: 17 14.008 2.095 0.825 0.378 0.875 0.312 CB 1.192 17 residues pruned to eliminate duplicates Z: 23 17.396 2.166 0.675 0.404 0.818 0.364 CB 1.381 23 residues pruned to eliminate duplicates Z: 32 26.862 2.117 0.683 0.552 0.839 0.355 CB 1.535 32 residues pruned to eliminate duplicates Z: 32 24.608 2.133 0.766 0.496 0.806 0.516 CB 1.461 32 residues pruned to eliminate duplicates Z: 46 30.088 2.095 0.893 0.487 0.844 0.511 CB 1.357 46 residues pruned to eliminate duplicates Z: 33 25.146 2.124 0.703 0.498 0.844 0.375 CB 1.459 33 residues pruned to eliminate duplicates Z: 32 28.876 2.126 0.711 0.550 0.871 0.419 CB 1.560 32 residues pruned to eliminate duplicates Z: 23 18.727 2.173 0.804 0.363 0.773 0.273 CB 1.527 23 residues pruned to eliminate duplicates Z: 13 14.277 2.247 0.511 0.398 0.833 0.333 CB 1.622 13 residues pruned to eliminate duplicates Z: 23 26.211 2.120 0.596 0.668 0.909 0.636 CB 1.556 23 residues pruned to eliminate duplicates Z: 24 22.648 2.150 0.576 0.587 0.826 0.348 CB 1.553 24 residues pruned to eliminate duplicates Z: 25 27.171 2.017 0.823 0.638 0.875 0.667 CB 1.514 25 residues pruned to eliminate duplicates Z: 24 24.755 2.139 0.687 0.584 0.870 0.565 CB 1.517 24 residues pruned to eliminate duplicates Z: 24 15.910 1.870 0.834 0.398 0.783 0.391 CB 1.376 24 residues pruned to eliminate duplicates Z: 37 25.692 2.110 0.792 0.430 0.889 0.361 CB 1.370 37 residues pruned to eliminate duplicates Z: 24 27.745 2.206 0.737 0.600 0.913 0.391 CB 1.503 24 residues pruned to eliminate duplicates Z: 32 29.244 2.167 0.755 0.524 0.903 0.548 CB 1.493 32 residues pruned to eliminate duplicates Z: 32 28.881 2.160 0.867 0.516 0.871 0.387 CB 1.453 32 residues pruned to eliminate duplicates Z: 25 26.899 2.127 0.700 0.548 0.958 0.458 CB 1.512 25 residues pruned to eliminate duplicates Z: 48 36.339 2.127 0.972 0.552 0.872 0.468 CB 1.377 50 residues pruned to eliminate duplicates Z: 15 19.094 1.894 0.678 0.862 0.929 0.786 CB 1.269 14 residues pruned to eliminate duplicates Z: 14 19.738 1.881 0.646 0.882 0.923 0.615 CB 1.386 14 residues pruned to eliminate duplicates Z: 11 17.782 2.004 0.688 0.829 0.800 0.600 CA 1.563 11 residues pruned to eliminate duplicates Z: 32 30.104 2.170 0.796 0.524 0.871 0.355 CB 1.555 32 residues pruned to eliminate duplicates Z: 10 18.035 2.131 0.418 0.809 1.000 0.778 CA 1.519 10 residues pruned to eliminate duplicates Z: 50 36.383 2.028 0.932 0.578 0.898 0.490 CB 1.371 50 residues pruned to eliminate duplicates Z: 27 28.175 1.964 0.794 0.647 0.962 0.423 CA 1.422 27 residues pruned to eliminate duplicates Z: 16 21.364 1.787 0.973 0.839 0.933 0.667 CB 1.252 15 residues pruned to eliminate duplicates Z: 6 5.623 1.698 0.619 0.485 0.800 0.400 CB 1.160 6 residues pruned to eliminate duplicates Z: 56 48.459 2.155 0.977 0.651 0.891 0.618 CB 1.496 56 residues pruned to eliminate duplicates Z: 52 45.230 2.136 0.971 0.620 0.902 0.549 CB 1.489 52 residues pruned to eliminate duplicates Z: 60 46.051 2.155 0.845 0.601 0.864 0.678 CB 1.584 60 residues pruned to eliminate duplicates Z: 66 48.089 2.144 0.913 0.616 0.877 0.692 CB 1.485 66 residues pruned to eliminate duplicates Z: 54 51.726 2.179 0.946 0.674 0.925 0.698 CB 1.544 54 residues pruned to eliminate duplicates Z: 34 56.745 2.243 1.111 0.812 0.970 0.697 CB 1.641 34 residues pruned to eliminate duplicates Z: 58 46.935 2.149 0.922 0.636 0.877 0.754 CB 1.510 58 residues pruned to eliminate duplicates Z: 47 57.430 2.255 1.101 0.712 0.935 0.717 CB 1.577 47 residues pruned to eliminate duplicates Z: 59 48.821 2.187 0.925 0.630 0.897 0.603 CB 1.502 59 residues pruned to eliminate duplicates Z: 71 47.060 2.130 0.869 0.582 0.857 0.657 CB 1.523 71 residues pruned to eliminate duplicates Z: 40 45.722 2.187 0.887 0.728 0.974 0.769 CB 1.484 40 residues pruned to eliminate duplicates Z: 38 53.261 2.195 1.002 0.719 0.973 0.730 CB 1.680 38 residues pruned to eliminate duplicates Z: 54 50.838 2.167 1.020 0.687 0.887 0.736 CB 1.516 54 residues pruned to eliminate duplicates Z: 40 51.423 2.188 0.995 0.759 0.974 0.769 CB 1.538 40 residues pruned to eliminate duplicates Z: 50 52.533 2.187 1.057 0.682 0.918 0.776 CB 1.537 50 residues pruned to eliminate duplicates Z: 48 55.693 2.234 1.058 0.705 0.936 0.745 CB 1.566 48 residues pruned to eliminate duplicates Z: 34 50.515 2.242 1.054 0.788 0.970 0.727 CB 1.529 34 residues pruned to eliminate duplicates Z: 34 56.799 2.243 1.131 0.816 0.970 0.788 CB 1.621 34 residues pruned to eliminate duplicates Z: 52 53.213 2.168 0.988 0.683 0.941 0.627 CB 1.552 52 residues pruned to eliminate duplicates Z: 49 56.360 2.225 1.150 0.716 0.917 0.646 CB 1.525 49 residues pruned to eliminate duplicates Z: 44 53.936 2.233 1.105 0.743 0.907 0.605 CB 1.552 44 residues pruned to eliminate duplicates Z: 52 51.476 2.183 1.093 0.696 0.882 0.608 CB 1.495 52 residues pruned to eliminate duplicates Z: 61 48.319 2.146 0.934 0.610 0.917 0.567 CB 1.477 61 residues pruned to eliminate duplicates Z: 35 52.612 2.253 1.141 0.789 0.941 0.735 CB 1.542 35 residues pruned to eliminate duplicates Z: 52 53.241 2.180 0.977 0.654 0.941 0.647 CB 1.592 52 residues pruned to eliminate duplicates Z: 52 50.179 2.150 1.043 0.665 0.882 0.608 CB 1.557 52 residues pruned to eliminate duplicates Z: 52 52.178 2.169 1.006 0.650 0.941 0.490 CB 1.551 52 residues pruned to eliminate duplicates Z: 52 53.109 2.169 1.075 0.683 0.922 0.667 CB 1.516 52 residues pruned to eliminate duplicates Z: 40 52.953 2.180 1.083 0.739 0.974 0.692 CB 1.547 40 residues pruned to eliminate duplicates Z: 48 50.151 2.203 1.013 0.706 0.894 0.681 CB 1.530 48 residues pruned to eliminate duplicates Z: 59 47.362 2.108 1.041 0.591 0.897 0.603 CB 1.477 59 residues pruned to eliminate duplicates Z: 49 53.286 2.200 1.047 0.693 0.917 0.604 CB 1.561 49 residues pruned to eliminate duplicates Z: 48 51.317 2.219 0.958 0.702 0.915 0.660 CB 1.566 48 residues pruned to eliminate duplicates Z: 52 50.425 2.184 1.090 0.662 0.882 0.647 CB 1.508 52 residues pruned to eliminate duplicates Z: 57 51.637 2.162 0.962 0.626 0.929 0.679 CB 1.556 57 residues pruned to eliminate duplicates Z: 55 51.661 2.165 0.950 0.668 0.926 0.630 CB 1.539 55 residues pruned to eliminate duplicates Z: 18 18.689 2.089 0.784 0.437 0.824 0.647 CB 1.577 18 residues pruned to eliminate duplicates Z: 49 52.539 2.208 1.060 0.705 0.938 0.708 CB 1.476 49 residues pruned to eliminate duplicates Z: 20 18.214 2.043 0.723 0.414 0.842 0.526 CB 1.542 20 residues pruned to eliminate duplicates Z: 39 18.367 2.051 0.443 0.389 0.763 0.526 CB 1.483 39 residues pruned to eliminate duplicates Z: 66 48.155 2.111 0.935 0.643 0.892 0.631 CB 1.434 66 residues pruned to eliminate duplicates Z: 50 49.516 2.199 0.973 0.681 0.898 0.673 CB 1.537 50 residues pruned to eliminate duplicates Z: 16 15.478 2.117 0.706 0.453 0.800 0.600 CB 1.451 16 residues pruned to eliminate duplicates Z: 17 14.096 2.109 0.687 0.447 0.812 0.438 CB 1.287 17 residues pruned to eliminate duplicates Z: 18 15.309 2.099 0.682 0.513 0.824 0.471 CB 1.260 18 residues pruned to eliminate duplicates Z: 46 55.221 2.209 1.050 0.753 0.956 0.644 CB 1.519 46 residues pruned to eliminate duplicates Z: 105 52.933 2.111 0.725 0.588 0.875 0.596 CB 1.497 105 residues pruned to eliminate duplicates Z: 47 47.831 2.196 1.090 0.705 0.913 0.630 CB 1.397 47 residues pruned to eliminate duplicates Z: 25 13.293 1.956 0.472 0.398 0.792 0.458 CB 1.325 25 residues pruned to eliminate duplicates Z: 26 17.117 1.933 0.509 0.480 0.800 0.440 CB 1.497 26 residues pruned to eliminate duplicates Z: 9 19.393 2.158 1.166 0.754 0.750 0.750 CB 1.560 9 residues pruned to eliminate duplicates Z: 13 16.054 2.023 0.912 0.525 0.750 0.583 CA 1.559 13 residues pruned to eliminate duplicates Z: 65 53.692 2.115 1.057 0.643 0.875 0.688 CB 1.542 65 residues pruned to eliminate duplicates Z: 14 15.515 1.877 0.996 0.548 0.769 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 11 15.545 2.156 0.774 0.647 0.700 0.600 CB 1.601 11 residues pruned to eliminate duplicates Z: 24 12.774 1.968 0.427 0.461 0.696 0.522 CA 1.418 24 residues pruned to eliminate duplicates Z: 71 54.204 2.150 1.035 0.645 0.900 0.657 CB 1.437 71 residues pruned to eliminate duplicates Z: 17 13.524 2.051 0.746 0.494 0.812 0.500 CB 1.169 17 residues pruned to eliminate duplicates Z: 19 17.140 2.098 0.760 0.503 0.778 0.333 CB 1.402 19 residues pruned to eliminate duplicates Z: 24 18.326 2.017 0.580 0.526 0.783 0.652 CB 1.494 24 residues pruned to eliminate duplicates Z: 25 23.953 1.931 1.020 0.563 0.875 0.458 CB 1.347 25 residues pruned to eliminate duplicates Z: 48 36.678 2.120 0.768 0.582 0.894 0.426 CB 1.476 48 residues pruned to eliminate duplicates Z: 6 4.429 1.795 0.631 0.399 0.800 0.400 CA 0.941 6 residues pruned to eliminate duplicates Z: 41 30.727 2.159 0.640 0.574 0.900 0.500 CB 1.420 41 residues pruned to eliminate duplicates Z: 49 27.275 2.030 0.671 0.508 0.812 0.396 CB 1.417 49 residues pruned to eliminate duplicates Z: 28 25.423 2.091 0.616 0.580 0.889 0.481 CB 1.508 29 residues pruned to eliminate duplicates Z: 6 7.347 1.949 0.417 0.406 0.800 0.400 CB 1.641 6 residues pruned to eliminate duplicates Z: 27 21.713 2.089 0.659 0.594 0.846 0.423 CB 1.328 27 residues pruned to eliminate duplicates Z: 61 50.973 2.143 0.947 0.657 0.933 0.617 CB 1.461 61 residues pruned to eliminate duplicates Z: 95 65.325 2.195 0.924 0.645 0.915 0.564 CB 1.523 95 residues pruned to eliminate duplicates Z: 15 25.059 1.988 0.765 0.814 1.000 0.500 CA 1.452 15 residues pruned to eliminate duplicates Z: 25 31.286 2.131 0.812 0.628 0.958 0.333 CB 1.529 25 residues pruned to eliminate duplicates Z: 42 32.034 2.111 0.698 0.591 0.878 0.463 CB 1.456 42 residues pruned to eliminate duplicates Z: 25 27.005 2.084 0.611 0.673 0.958 0.500 CA 1.460 25 residues pruned to eliminate duplicates Z: 26 30.125 2.135 0.748 0.644 0.960 0.560 CB 1.469 26 residues pruned to eliminate duplicates Z: 27 28.748 2.049 0.759 0.648 0.923 0.538 CB 1.476 27 residues pruned to eliminate duplicates Z: 24 31.164 2.196 0.774 0.683 0.957 0.652 CB 1.473 25 residues pruned to eliminate duplicates Z: 16 24.541 1.906 1.002 0.856 1.000 0.600 CA 1.225 14 residues pruned to eliminate duplicates Z: 16 19.070 1.919 0.679 0.767 1.000 0.667 CA 1.206 16 residues pruned to eliminate duplicates Z: 29 28.179 2.070 0.705 0.588 0.929 0.464 CB 1.493 29 residues pruned to eliminate duplicates Z: 27 27.191 2.026 0.725 0.683 0.885 0.577 CB 1.458 27 residues pruned to eliminate duplicates Z: 28 30.776 2.011 0.736 0.679 0.963 0.407 CB 1.494 27 residues pruned to eliminate duplicates Z: 6 5.144 1.502 0.488 0.462 1.000 0.600 CB 1.069 6 residues pruned to eliminate duplicates Z: 53 41.443 2.127 0.846 0.668 0.923 0.712 CB 1.358 53 residues pruned to eliminate duplicates Z: 55 43.047 2.105 0.852 0.651 0.907 0.611 CB 1.438 55 residues pruned to eliminate duplicates Z: 53 47.985 2.139 0.890 0.686 0.942 0.692 CB 1.473 53 residues pruned to eliminate duplicates Z: 53 45.956 2.120 0.863 0.672 0.942 0.577 CB 1.461 53 residues pruned to eliminate duplicates Z: 35 50.217 2.210 1.094 0.772 0.971 0.618 CB 1.507 35 residues pruned to eliminate duplicates Z: 37 44.263 2.192 1.019 0.754 0.972 0.639 CB 1.367 37 residues pruned to eliminate duplicates Z: 41 43.649 2.181 0.918 0.728 0.950 0.750 CB 1.414 41 residues pruned to eliminate duplicates Z: 41 43.982 2.176 0.968 0.682 1.000 0.575 CB 1.375 41 residues pruned to eliminate duplicates Z: 61 44.107 2.119 0.753 0.620 0.933 0.667 CB 1.467 61 residues pruned to eliminate duplicates Z: 29 38.944 2.125 0.977 0.846 0.964 0.714 CB 1.349 29 residues pruned to eliminate duplicates Z: 34 46.204 2.184 1.062 0.799 0.970 0.667 CB 1.417 34 residues pruned to eliminate duplicates Z: 41 44.438 2.176 0.993 0.717 0.950 0.775 CB 1.401 41 residues pruned to eliminate duplicates Z: 41 45.638 2.170 0.990 0.670 1.000 0.625 CB 1.428 41 residues pruned to eliminate duplicates Z: 41 41.639 2.169 0.951 0.707 0.950 0.750 CB 1.357 41 residues pruned to eliminate duplicates Z: 35 44.149 2.250 1.003 0.794 0.912 0.676 CB 1.424 35 residues pruned to eliminate duplicates Z: 61 37.493 2.057 0.787 0.566 0.900 0.583 CB 1.373 61 residues pruned to eliminate duplicates Z: 40 47.901 2.202 0.900 0.746 1.000 0.718 CB 1.471 40 residues pruned to eliminate duplicates Z: 54 43.420 2.064 0.915 0.638 0.925 0.585 CB 1.433 54 residues pruned to eliminate duplicates Z: 41 43.579 2.176 0.955 0.721 0.975 0.725 CB 1.360 41 residues pruned to eliminate duplicates Z: 40 47.532 2.204 1.049 0.725 0.974 0.692 CB 1.413 40 residues pruned to eliminate duplicates Z: 42 44.120 2.144 1.059 0.730 0.951 0.756 CB 1.335 42 residues pruned to eliminate duplicates Z: 41 46.238 2.172 0.956 0.730 0.975 0.600 CB 1.435 41 residues pruned to eliminate duplicates Z: 54 42.928 2.111 0.926 0.653 0.906 0.547 CB 1.388 54 residues pruned to eliminate duplicates Z: 41 45.801 2.181 1.001 0.712 0.975 0.600 CB 1.405 41 residues pruned to eliminate duplicates Z: 39 45.410 2.174 1.072 0.702 0.947 0.711 CB 1.437 39 residues pruned to eliminate duplicates Z: 40 45.951 2.204 0.963 0.724 0.974 0.615 CB 1.426 40 residues pruned to eliminate duplicates Z: 41 44.035 2.161 1.041 0.702 0.950 0.675 CB 1.382 41 residues pruned to eliminate duplicates Z: 36 45.151 2.210 1.132 0.740 0.971 0.600 CB 1.345 36 residues pruned to eliminate duplicates Z: 39 47.987 2.216 1.049 0.709 0.974 0.632 CB 1.457 39 residues pruned to eliminate duplicates Z: 41 45.373 2.179 1.028 0.723 0.975 0.600 CB 1.362 41 residues pruned to eliminate duplicates Z: 41 41.544 2.174 0.964 0.714 0.950 0.775 CB 1.334 41 residues pruned to eliminate duplicates Z: 41 43.276 2.162 0.981 0.718 0.975 0.675 CB 1.345 41 residues pruned to eliminate duplicates Z: 56 46.270 2.099 0.950 0.646 0.945 0.618 CB 1.408 56 residues pruned to eliminate duplicates Z: 39 39.657 2.153 0.965 0.717 0.921 0.658 CB 1.357 39 residues pruned to eliminate duplicates Z: 39 49.160 2.219 0.991 0.761 0.974 0.658 CB 1.471 39 residues pruned to eliminate duplicates Z: 36 44.692 2.221 1.113 0.762 0.914 0.629 CB 1.395 36 residues pruned to eliminate duplicates Z: 47 49.470 2.166 1.044 0.703 0.957 0.609 CB 1.431 47 residues pruned to eliminate duplicates Z: 56 42.671 2.103 0.906 0.634 0.927 0.582 CB 1.365 56 residues pruned to eliminate duplicates Z: 11 21.300 2.033 0.886 0.593 1.000 0.500 CB 1.607 11 residues pruned to eliminate duplicates Z: 76 51.917 2.122 0.920 0.604 0.893 0.587 CB 1.492 76 residues pruned to eliminate duplicates Z: 49 44.026 2.144 0.988 0.670 0.938 0.625 CB 1.359 49 residues pruned to eliminate duplicates Z: 57 34.205 2.160 0.512 0.527 0.821 0.589 CB 1.659 57 residues pruned to eliminate duplicates Z: 60 41.046 2.087 0.840 0.593 0.915 0.576 CB 1.391 60 residues pruned to eliminate duplicates Z: 11 14.400 1.991 0.673 0.485 0.900 0.600 CB 1.543 11 residues pruned to eliminate duplicates Z: 52 39.872 2.072 1.006 0.591 0.902 0.510 CB 1.365 52 residues pruned to eliminate duplicates Z: 49 45.642 2.104 1.021 0.669 0.958 0.604 CB 1.382 49 residues pruned to eliminate duplicates Z: 53 41.430 2.098 0.914 0.651 0.923 0.692 CB 1.347 53 residues pruned to eliminate duplicates Z: 59 44.454 2.107 0.907 0.606 0.914 0.672 CB 1.437 59 residues pruned to eliminate duplicates Z: 24 14.914 1.942 0.466 0.403 0.826 0.391 CB 1.465 24 residues pruned to eliminate duplicates Z: 58 45.182 2.102 0.847 0.620 0.947 0.632 CB 1.453 58 residues pruned to eliminate duplicates Z: 10 5.246 1.846 0.478 0.252 0.778 0.222 CB 1.095 10 residues pruned to eliminate duplicates Z: 66 43.806 2.074 0.870 0.583 0.923 0.677 CB 1.402 66 residues pruned to eliminate duplicates Z: 68 42.888 2.111 0.774 0.582 0.910 0.567 CB 1.421 68 residues pruned to eliminate duplicates Z: 64 44.899 2.104 0.948 0.599 0.905 0.556 CB 1.388 64 residues pruned to eliminate duplicates Z: 15 12.246 1.943 0.639 0.420 0.714 0.571 CB 1.563 15 residues pruned to eliminate duplicates Z: 13 15.337 1.977 0.884 0.536 0.750 0.667 CB 1.531 13 residues pruned to eliminate duplicates Z: 12 16.132 1.950 0.891 0.651 0.818 0.818 CB 1.401 12 residues pruned to eliminate duplicates Z: 13 13.329 1.947 0.856 0.493 0.750 0.667 CB 1.430 13 residues pruned to eliminate duplicates Z: 22 35.687 2.218 1.057 0.674 0.857 0.619 CB 1.697 22 residues pruned to eliminate duplicates Z: 18 18.540 1.992 0.948 0.367 0.882 0.294 CB 1.514 18 residues pruned to eliminate duplicates Z: 31 21.823 2.127 0.593 0.465 0.833 0.467 CB 1.462 31 residues pruned to eliminate duplicates Z: 13 17.893 2.116 0.828 0.553 0.750 0.750 CA 1.691 13 residues pruned to eliminate duplicates Z: 38 33.175 2.205 0.496 0.590 0.919 0.486 CB 1.650 38 residues pruned to eliminate duplicates Z: 26 21.430 2.232 0.483 0.437 0.880 0.320 CB 1.571 26 residues pruned to eliminate duplicates Z: 64 39.867 2.160 0.741 0.528 0.857 0.524 CB 1.516 64 residues pruned to eliminate duplicates Z: 36 36.712 2.204 0.704 0.551 0.914 0.600 CB 1.719 36 residues pruned to eliminate duplicates Z: 13 15.171 2.138 0.848 0.509 0.667 0.500 CA 1.648 13 residues pruned to eliminate duplicates Z: 13 18.810 2.070 0.956 0.455 0.833 0.500 CB 1.685 13 residues pruned to eliminate duplicates Z: 11 19.301 2.156 0.811 0.547 0.800 0.600 CA 1.865 11 residues pruned to eliminate duplicates Z: 33 33.568 2.229 0.527 0.611 0.906 0.531 CB 1.732 33 residues pruned to eliminate duplicates Z: 34 32.739 2.214 0.510 0.588 0.879 0.636 CB 1.783 34 residues pruned to eliminate duplicates Z: 35 37.832 2.217 0.644 0.611 0.941 0.382 CB 1.703 35 residues pruned to eliminate duplicates Z: 35 33.568 2.237 0.542 0.579 0.882 0.559 CB 1.753 35 residues pruned to eliminate duplicates Z: 28 19.879 2.170 0.609 0.419 0.778 0.519 CB 1.534 28 residues pruned to eliminate duplicates Z: 38 39.649 2.215 0.777 0.607 0.919 0.568 CB 1.628 41 residues pruned to eliminate duplicates Z: 17 21.232 1.948 0.718 0.712 0.938 0.500 CA 1.396 16 residues pruned to eliminate duplicates 6 1.738 1.429 -0.287 0.386 0.800 0.200 CA 1.077 ? Z: 15 15.130 1.978 0.393 0.704 0.929 0.786 CA 1.314 15 residues pruned to eliminate duplicates Z: 24 28.074 2.205 0.541 0.588 0.957 0.609 CB 1.655 24 residues pruned to eliminate duplicates Z: 23 27.431 2.221 0.556 0.596 0.909 0.591 CB 1.698 23 residues pruned to eliminate duplicates Z: 35 35.549 2.211 0.608 0.562 0.941 0.500 CA 1.717 35 residues pruned to eliminate duplicates Z: 17 24.536 2.176 0.738 0.603 0.875 0.625 CA 1.681 17 residues pruned to eliminate duplicates Z: 18 20.407 2.083 0.582 0.619 0.824 0.647 CB 1.631 18 residues pruned to eliminate duplicates Z: 23 22.128 2.033 0.738 0.571 0.818 0.636 CB 1.524 23 residues pruned to eliminate duplicates Z: 23 29.750 2.246 0.592 0.608 0.909 0.500 CB 1.761 23 residues pruned to eliminate duplicates Z: 15 29.895 2.294 0.705 0.748 0.929 0.786 CA 1.762 15 residues pruned to eliminate duplicates Z: 15 23.085 2.114 0.702 0.730 0.857 0.571 CA 1.626 15 residues pruned to eliminate duplicates Z: 26 31.550 2.128 0.716 0.677 0.960 0.560 CB 1.530 26 residues pruned to eliminate duplicates Z: 25 26.998 2.134 0.547 0.635 0.958 0.500 CB 1.535 25 residues pruned to eliminate duplicates Z: 20 21.569 1.852 0.911 0.750 0.895 0.368 CB 1.251 18 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 14 B: 13 C: 13 D: 98 E: 114 F: 104 G: 97 CC for partial structure against native data = 43.30 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.490, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.747 for dens.mod. cycle 2 = 0.300, Contrast = 0.665, Connect. = 0.775 for dens.mod. cycle 3 = 0.300, Contrast = 0.676, Connect. = 0.776 for dens.mod. cycle 4 = 0.300, Contrast = 0.688, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.693, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.698, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.699, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.702, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.702, Connect. = 0.783 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2472 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 589 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 22.843 2.109 0.943 0.497 0.720 0.520 CB 1.553 B: 15 28.406 2.200 0.706 0.889 0.929 0.786 CA 1.568 C: 13 17.809 2.280 0.153 0.833 0.917 0.750 CB 1.600 13 residues pruned to eliminate duplicates D: 74 65.308 2.285 1.132 0.579 0.877 0.589 CB 1.658 17 residues pruned to eliminate duplicates E: 12 22.441 2.233 1.082 0.551 0.818 0.455 CB 1.692 F: 48 62.993 2.287 1.253 0.711 0.872 0.681 CB 1.687 48 residues pruned to eliminate duplicates G: 64 70.176 2.283 1.230 0.629 0.905 0.619 CB 1.700 64 residues pruned to eliminate duplicates H: 8 13.927 2.041 1.184 0.514 0.857 0.571 CA 1.359 I: 10 18.423 2.227 1.046 0.656 0.778 0.556 CB 1.499 10 residues pruned to eliminate duplicates J: 15 21.375 2.248 0.499 0.792 0.857 0.786 CB 1.531 15 residues pruned to eliminate duplicates K: 89 69.359 2.264 1.046 0.571 0.886 0.602 CB 1.680 83 residues pruned to eliminate duplicates L: 27 52.708 2.155 1.302 0.923 0.962 0.731 CA 1.524 27 residues pruned to eliminate duplicates M: 27 53.672 2.188 1.158 0.905 1.000 0.846 CA 1.587 27 residues pruned to eliminate duplicates N: 15 20.152 2.166 0.469 0.853 0.857 0.714 CB 1.459 15 residues pruned to eliminate duplicates O: 18 21.918 2.228 0.924 0.437 0.824 0.706 CB 1.607 18 residues pruned to eliminate duplicates P: 14 18.738 2.218 0.366 0.835 0.846 0.846 CB 1.518 14 residues pruned to eliminate duplicates Q: 27 50.415 2.149 1.113 0.922 1.000 0.808 CA 1.531 27 residues pruned to eliminate duplicates R: 27 48.252 2.160 1.194 0.910 0.923 0.808 CA 1.535 27 residues pruned to eliminate duplicates S: 21 31.704 2.351 0.730 0.765 0.900 0.700 CB 1.531 15 residues pruned to eliminate duplicates T: 60 60.378 2.244 1.099 0.624 0.881 0.678 CB 1.685 60 residues pruned to eliminate duplicates U: 7 16.809 2.233 0.886 0.591 0.833 0.500 CB 1.793 8 residues pruned to eliminate duplicates V: 9 19.334 2.104 0.913 0.555 1.000 0.625 CB 1.610 7 residues pruned to eliminate duplicates W: 11 22.547 2.246 0.799 0.631 0.900 0.600 CA 1.734 11 residues pruned to eliminate duplicates X: 10 12.866 2.213 0.378 0.531 1.000 0.556 CB 1.364 9 residues pruned to eliminate duplicates Y: 29 48.332 2.174 1.058 0.867 1.000 0.607 CA 1.494 Z: 50 33.844 2.077 0.874 0.531 0.878 0.469 CB 1.372 8 residues pruned to eliminate duplicates Z: 27 52.219 2.248 1.053 0.897 1.000 0.615 CA 1.588 28 residues pruned to eliminate duplicates Z: 18 17.778 2.185 0.731 0.396 0.824 0.588 CB 1.545 Z: 11 13.489 2.083 1.143 0.344 0.800 0.300 CB 1.415 9 residues pruned to eliminate duplicates Z: 12 17.423 1.987 0.786 0.593 0.909 0.364 CB 1.490 Z: 22 17.173 2.150 0.741 0.413 0.762 0.429 CB 1.440 22 residues pruned to eliminate duplicates Z: 28 50.715 2.218 1.039 0.876 1.000 0.815 CA 1.569 26 residues pruned to eliminate duplicates Z: 15 18.919 1.997 0.415 0.866 1.000 0.857 CA 1.310 Z: 18 11.098 2.059 0.382 0.432 0.824 0.529 CB 1.233 Z: 27 30.766 2.077 0.879 0.644 0.885 0.577 CB 1.527 Z: 27 44.269 2.152 1.078 0.908 0.962 0.808 CA 1.435 27 residues pruned to eliminate duplicates Z: 53 65.272 2.275 1.077 0.661 0.942 0.596 CB 1.752 53 residues pruned to eliminate duplicates Z: 68 55.984 2.221 0.967 0.617 0.940 0.657 CB 1.491 30 residues pruned to eliminate duplicates Z: 35 35.854 2.175 0.654 0.601 0.912 0.588 CB 1.702 29 residues pruned to eliminate duplicates Z: 16 19.526 1.943 0.389 0.925 0.933 0.733 CA 1.405 13 residues pruned to eliminate duplicates Z: 27 50.717 2.253 1.109 0.879 0.962 0.808 CA 1.578 27 residues pruned to eliminate duplicates Z: 9 16.736 2.038 0.934 0.659 0.750 0.750 CB 1.728 9 residues pruned to eliminate duplicates Z: 8 9.691 1.893 0.695 0.456 0.857 0.714 CA 1.393 Z: 36 34.864 2.287 0.743 0.605 0.829 0.600 CB 1.614 60 residues pruned to eliminate duplicates Z: 28 44.566 2.194 0.878 0.884 1.000 0.778 CA 1.504 28 residues pruned to eliminate duplicates Z: 26 30.809 2.147 0.778 0.658 0.880 0.400 CB 1.583 27 residues pruned to eliminate duplicates Z: 18 17.097 2.129 0.665 0.457 0.765 0.647 CB 1.599 18 residues pruned to eliminate duplicates Z: 9 14.707 1.945 1.209 0.574 0.750 0.750 CB 1.502 9 residues pruned to eliminate duplicates Z: 25 46.462 2.179 0.842 0.950 1.000 0.875 CB 1.629 2 residues pruned to eliminate duplicates Z: 66 52.361 2.232 0.904 0.640 0.892 0.569 CB 1.502 66 residues pruned to eliminate duplicates Z: 27 49.775 2.168 1.141 0.908 0.962 0.808 CA 1.553 27 residues pruned to eliminate duplicates Z: 15 17.625 1.941 0.427 0.820 1.000 0.714 CA 1.288 Z: 14 20.873 2.236 0.473 0.877 0.846 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 15 16.478 1.991 0.675 0.604 0.857 0.429 CB 1.395 4 residues pruned to eliminate duplicates Z: 40 27.836 2.129 0.769 0.543 0.821 0.462 CB 1.383 40 residues pruned to eliminate duplicates Z: 27 51.292 2.145 1.138 0.916 1.000 0.846 CA 1.549 27 residues pruned to eliminate duplicates Z: 13 25.520 2.099 1.314 0.550 1.000 0.667 CB 1.444 13 residues pruned to eliminate duplicates Z: 27 45.703 2.206 1.136 0.875 0.885 0.615 CA 1.564 27 residues pruned to eliminate duplicates Z: 26 21.171 2.092 0.790 0.390 0.880 0.560 CB 1.443 26 residues pruned to eliminate duplicates Z: 27 49.906 2.275 0.957 0.887 1.000 0.808 CA 1.585 27 residues pruned to eliminate duplicates Z: 51 61.202 2.258 1.158 0.670 0.900 0.560 CB 1.687 51 residues pruned to eliminate duplicates Z: 48 44.496 2.136 0.975 0.717 0.915 0.532 CB 1.382 12 residues pruned to eliminate duplicates Z: 60 41.722 2.089 0.834 0.650 0.881 0.712 CB 1.399 63 residues pruned to eliminate duplicates Z: 28 51.576 2.163 1.166 0.900 0.963 0.481 CA 1.572 28 residues pruned to eliminate duplicates Z: 13 24.942 2.312 0.530 0.836 0.917 0.583 CB 1.661 13 residues pruned to eliminate duplicates Z: 9 15.237 2.030 0.973 0.674 1.000 0.875 CB 1.145 9 residues pruned to eliminate duplicates Z: 25 23.091 2.118 0.914 0.505 0.792 0.542 CB 1.462 25 residues pruned to eliminate duplicates Z: 29 47.320 2.163 1.028 0.872 0.929 0.286 CB 1.600 29 residues pruned to eliminate duplicates Z: 26 25.739 2.212 0.722 0.492 0.880 0.560 CB 1.547 23 residues pruned to eliminate duplicates Z: 9 8.402 2.084 0.605 0.368 0.750 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 24 43.215 2.179 0.970 0.935 0.913 0.478 CB 1.602 24 residues pruned to eliminate duplicates Z: 27 36.780 2.125 0.656 0.895 0.962 0.731 CA 1.528 27 residues pruned to eliminate duplicates Z: 12 24.243 2.226 1.126 0.643 0.818 0.727 CB 1.651 14 residues pruned to eliminate duplicates Z: 29 48.168 2.166 0.964 0.871 1.000 0.679 CA 1.561 29 residues pruned to eliminate duplicates Z: 64 54.258 2.191 1.010 0.587 0.905 0.651 CB 1.579 64 residues pruned to eliminate duplicates Z: 62 60.908 2.239 1.120 0.605 0.885 0.623 CB 1.679 62 residues pruned to eliminate duplicates Z: 27 40.294 2.080 0.835 0.916 1.000 0.923 CA 1.462 27 residues pruned to eliminate duplicates Z: 13 19.000 1.960 0.350 0.899 1.000 0.917 CA 1.482 12 residues pruned to eliminate duplicates Z: 18 24.356 2.186 1.154 0.605 0.824 0.471 CB 1.379 18 residues pruned to eliminate duplicates Z: 8 25.450 2.290 1.220 0.697 0.857 0.857 CB 1.845 8 residues pruned to eliminate duplicates Z: 34 32.307 2.112 0.736 0.591 0.909 0.455 CB 1.547 35 residues pruned to eliminate duplicates Z: 45 38.615 2.194 0.637 0.599 0.886 0.614 CB 1.664 45 residues pruned to eliminate duplicates Z: 13 21.327 2.359 0.194 0.915 1.000 1.000 CB 1.544 13 residues pruned to eliminate duplicates Z: 25 22.110 2.086 0.901 0.467 0.917 0.625 CB 1.285 25 residues pruned to eliminate duplicates Z: 28 53.728 2.233 1.058 0.874 1.000 0.556 CA 1.638 28 residues pruned to eliminate duplicates Z: 27 47.445 2.244 0.996 0.880 0.923 0.462 CA 1.631 27 residues pruned to eliminate duplicates Z: 25 50.128 2.147 1.003 0.957 1.000 0.750 CB 1.634 24 residues pruned to eliminate duplicates Z: 6 7.634 1.689 1.484 0.482 0.600 0.600 C 1.381 6 residues pruned to eliminate duplicates Z: 26 29.001 2.112 0.715 0.633 0.920 0.400 CB 1.536 26 residues pruned to eliminate duplicates Z: 25 21.510 2.142 0.953 0.477 0.792 0.542 CB 1.357 25 residues pruned to eliminate duplicates Z: 26 54.710 2.223 1.198 0.879 1.000 0.720 CB 1.625 26 residues pruned to eliminate duplicates Z: 26 35.159 2.112 0.599 0.922 0.960 0.800 CA 1.526 26 residues pruned to eliminate duplicates Z: 25 51.839 2.198 1.017 0.953 1.000 0.958 CB 1.642 26 residues pruned to eliminate duplicates Z: 73 49.646 2.158 0.955 0.552 0.903 0.611 CB 1.460 73 residues pruned to eliminate duplicates Z: 67 66.623 2.215 1.198 0.595 0.909 0.545 CB 1.692 67 residues pruned to eliminate duplicates Z: 25 49.704 2.149 1.017 0.943 1.000 0.500 CA 1.622 24 residues pruned to eliminate duplicates Z: 29 47.994 2.180 1.076 0.847 0.964 0.714 CA 1.542 29 residues pruned to eliminate duplicates Z: 27 57.331 2.209 1.267 0.929 1.000 0.808 CA 1.572 27 residues pruned to eliminate duplicates Z: 54 45.887 2.103 0.908 0.672 0.962 0.623 CB 1.393 53 residues pruned to eliminate duplicates Z: 6 6.870 1.669 -0.016 0.860 1.000 0.800 N 1.375 6 residues pruned to eliminate duplicates Z: 34 38.454 2.249 0.761 0.580 0.879 0.515 CB 1.781 49 residues pruned to eliminate duplicates Z: 16 20.835 1.934 0.576 0.798 0.933 0.533 CA 1.457 16 residues pruned to eliminate duplicates Z: 74 55.861 2.185 0.951 0.602 0.904 0.658 CB 1.540 77 residues pruned to eliminate duplicates Z: 14 18.517 2.054 0.812 0.494 0.923 0.692 CB 1.503 14 residues pruned to eliminate duplicates Z: 27 50.449 2.256 1.056 0.855 0.962 0.462 CA 1.637 27 residues pruned to eliminate duplicates Z: 25 45.607 2.175 0.911 0.936 1.000 0.917 CB 1.560 25 residues pruned to eliminate duplicates Z: 29 48.284 2.063 1.210 0.904 0.964 0.714 CA 1.479 29 residues pruned to eliminate duplicates Z: 58 52.720 2.258 1.027 0.625 0.912 0.596 CB 1.486 58 residues pruned to eliminate duplicates Z: 22 13.664 1.877 0.568 0.361 0.810 0.524 CB 1.454 22 residues pruned to eliminate duplicates Z: 59 61.641 2.249 1.119 0.625 0.897 0.621 CB 1.684 59 residues pruned to eliminate duplicates Z: 27 37.468 2.093 0.752 0.918 1.000 0.846 CB 1.413 27 residues pruned to eliminate duplicates Z: 7 7.724 1.885 0.953 0.420 0.667 0.500 CA 1.397 7 residues pruned to eliminate duplicates Z: 26 45.033 2.154 0.906 0.923 1.000 0.720 CB 1.541 27 residues pruned to eliminate duplicates Z: 25 25.386 2.142 0.517 0.674 0.875 0.625 CA 1.553 25 residues pruned to eliminate duplicates Z: 14 20.768 2.042 0.381 0.905 0.923 0.692 CA 1.576 14 residues pruned to eliminate duplicates Z: 28 46.771 2.244 1.147 0.860 0.889 0.519 CA 1.545 28 residues pruned to eliminate duplicates Z: 10 18.283 1.944 0.595 0.844 1.000 1.000 CA 1.463 10 residues pruned to eliminate duplicates Z: 62 41.425 2.084 0.831 0.588 0.902 0.656 CB 1.417 62 residues pruned to eliminate duplicates Z: 21 16.004 2.210 0.565 0.375 0.850 0.300 CB 1.391 21 residues pruned to eliminate duplicates Z: 14 9.511 1.783 0.391 0.279 0.923 0.462 CB 1.478 14 residues pruned to eliminate duplicates Z: 26 32.416 2.121 0.547 0.933 1.000 0.960 CB 1.378 26 residues pruned to eliminate duplicates Z: 60 49.922 2.159 0.903 0.631 0.932 0.492 CB 1.501 52 residues pruned to eliminate duplicates Z: 8 5.362 1.479 0.837 0.456 0.857 0.429 CB 0.910 8 residues pruned to eliminate duplicates Z: 6 9.233 2.129 0.860 0.484 0.600 0.600 CB 1.766 6 residues pruned to eliminate duplicates Z: 51 58.177 2.277 1.094 0.673 0.940 0.660 CB 1.565 51 residues pruned to eliminate duplicates Z: 26 42.422 2.139 0.961 0.925 1.000 0.800 CB 1.419 26 residues pruned to eliminate duplicates Z: 25 56.775 2.212 1.266 0.926 1.000 0.917 CA 1.621 25 residues pruned to eliminate duplicates Z: 28 40.505 2.060 1.044 0.918 0.889 0.852 CA 1.469 28 residues pruned to eliminate duplicates Z: 16 20.250 1.810 0.594 0.863 1.000 0.667 CB 1.330 16 residues pruned to eliminate duplicates Z: 53 52.307 2.248 1.137 0.631 0.904 0.692 CB 1.477 53 residues pruned to eliminate duplicates Z: 27 53.296 2.276 1.128 0.899 0.923 0.846 CA 1.671 27 residues pruned to eliminate duplicates Z: 27 53.953 2.143 1.304 0.935 0.962 0.808 CA 1.553 27 residues pruned to eliminate duplicates Z: 7 11.457 1.918 1.024 0.513 0.833 0.500 N 1.426 7 residues pruned to eliminate duplicates Z: 76 68.569 2.259 1.190 0.599 0.880 0.613 CB 1.654 76 residues pruned to eliminate duplicates Z: 7 5.352 1.857 -0.015 0.561 0.833 0.667 CB 1.351 Z: 20 16.957 2.014 0.689 0.432 0.842 0.579 CB 1.457 20 residues pruned to eliminate duplicates Z: 41 43.326 2.153 0.841 0.752 0.950 0.700 CB 1.453 41 residues pruned to eliminate duplicates Z: 26 49.008 2.308 0.989 0.877 0.960 0.760 CA 1.615 26 residues pruned to eliminate duplicates Z: 26 49.750 2.254 1.047 0.879 0.960 0.600 CA 1.629 26 residues pruned to eliminate duplicates Z: 27 42.092 2.132 0.892 0.905 0.962 0.615 CB 1.516 27 residues pruned to eliminate duplicates Z: 14 16.545 1.853 0.704 0.864 0.769 0.692 CA 1.384 14 residues pruned to eliminate duplicates Z: 13 32.079 2.366 0.931 0.942 0.917 0.667 CB 1.533 Z: 7 10.211 1.837 0.567 0.790 1.000 0.667 CB 1.123 Z: 26 43.712 2.136 1.013 0.918 1.000 0.760 CB 1.434 26 residues pruned to eliminate duplicates Z: 26 41.082 2.102 0.907 0.900 1.000 0.800 CB 1.465 26 residues pruned to eliminate duplicates Z: 15 13.094 1.826 0.770 0.473 0.786 0.429 CB 1.417 15 residues pruned to eliminate duplicates Z: 14 20.837 2.166 0.777 0.515 0.923 0.692 CB 1.603 14 residues pruned to eliminate duplicates Z: 19 24.234 2.154 1.050 0.569 0.889 0.500 CB 1.362 19 residues pruned to eliminate duplicates Z: 25 57.129 2.364 1.160 0.922 0.958 0.833 CB 1.676 25 residues pruned to eliminate duplicates Z: 23 53.288 2.207 1.187 0.950 1.000 0.500 CB 1.623 23 residues pruned to eliminate duplicates Z: 13 7.120 2.027 0.813 0.361 0.750 0.417 CB 0.866 13 residues pruned to eliminate duplicates Z: 9 15.284 1.908 0.977 0.539 0.875 0.625 CB 1.576 9 residues pruned to eliminate duplicates Z: 13 38.960 2.358 1.163 0.917 1.000 0.583 CB 1.556 13 residues pruned to eliminate duplicates Z: 14 19.318 1.850 0.572 0.873 1.000 0.846 CA 1.342 14 residues pruned to eliminate duplicates Z: 27 47.891 2.226 1.024 0.890 0.962 0.885 CB 1.559 27 residues pruned to eliminate duplicates Z: 67 67.910 2.251 1.083 0.615 0.924 0.591 CB 1.730 67 residues pruned to eliminate duplicates Z: 25 46.131 2.198 0.984 0.934 1.000 0.750 CB 1.506 25 residues pruned to eliminate duplicates Z: 24 47.384 2.193 0.877 0.956 1.000 0.826 CB 1.649 24 residues pruned to eliminate duplicates Z: 13 29.525 2.386 0.608 0.933 1.000 0.917 CB 1.551 12 residues pruned to eliminate duplicates Z: 53 49.747 2.249 1.073 0.624 0.923 0.635 CB 1.427 53 residues pruned to eliminate duplicates Z: 26 39.772 2.127 0.795 0.914 1.000 0.800 CA 1.473 26 residues pruned to eliminate duplicates Z: 10 10.896 2.001 0.713 0.537 0.889 0.556 CB 1.149 10 residues pruned to eliminate duplicates Z: 6 3.720 1.298 0.250 0.623 1.000 0.400 CA 0.913 Z: 10 17.437 2.044 0.682 0.688 0.889 0.556 CB 1.602 10 residues pruned to eliminate duplicates Z: 51 48.780 2.185 0.868 0.695 0.900 0.680 CB 1.571 51 residues pruned to eliminate duplicates Z: 14 15.525 2.051 0.850 0.462 0.846 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 13 18.466 1.971 0.487 0.840 0.917 0.750 CB 1.480 13 residues pruned to eliminate duplicates Z: 34 31.570 2.190 0.547 0.587 0.879 0.515 CB 1.699 34 residues pruned to eliminate duplicates Z: 18 9.329 1.831 0.317 0.372 0.824 0.588 CB 1.307 18 residues pruned to eliminate duplicates Z: 11 12.762 1.936 0.949 0.554 0.700 0.600 CB 1.450 11 residues pruned to eliminate duplicates Z: 63 55.473 2.202 0.960 0.643 0.919 0.645 CB 1.554 63 residues pruned to eliminate duplicates Z: 12 10.158 1.912 0.640 0.498 0.818 0.545 CB 1.196 8 residues pruned to eliminate duplicates Z: 14 31.086 2.379 0.633 0.885 1.000 0.769 CB 1.603 13 residues pruned to eliminate duplicates Z: 15 18.522 2.005 0.484 0.863 0.857 0.643 CA 1.423 15 residues pruned to eliminate duplicates Z: 12 13.703 2.053 0.767 0.523 0.818 0.545 CB 1.362 Z: 26 42.100 2.142 0.903 0.936 1.000 0.880 CB 1.439 26 residues pruned to eliminate duplicates Z: 28 43.825 2.136 0.952 0.913 1.000 0.852 CA 1.432 28 residues pruned to eliminate duplicates Z: 37 25.269 2.133 0.593 0.514 0.833 0.556 CB 1.467 39 residues pruned to eliminate duplicates Z: 26 48.651 2.196 1.040 0.922 1.000 0.920 CA 1.528 26 residues pruned to eliminate duplicates Z: 15 22.077 1.985 0.598 0.870 1.000 0.714 CA 1.357 15 residues pruned to eliminate duplicates Z: 26 44.740 2.125 1.088 0.913 1.000 0.760 CB 1.427 26 residues pruned to eliminate duplicates Z: 27 52.669 2.161 1.242 0.930 1.000 0.538 CB 1.491 27 residues pruned to eliminate duplicates Z: 14 20.615 1.972 0.677 0.769 1.000 0.769 CA 1.362 14 residues pruned to eliminate duplicates Z: 68 66.330 2.263 1.125 0.633 0.881 0.552 CB 1.689 68 residues pruned to eliminate duplicates Z: 15 20.379 1.904 0.539 0.894 0.929 0.714 CB 1.437 15 residues pruned to eliminate duplicates Z: 25 37.970 2.133 0.875 0.900 0.958 0.792 CB 1.444 25 residues pruned to eliminate duplicates Z: 26 40.300 2.134 0.879 0.920 1.000 0.840 CB 1.416 26 residues pruned to eliminate duplicates Z: 11 9.872 2.078 0.223 0.504 0.900 0.600 CB 1.360 11 residues pruned to eliminate duplicates Z: 53 51.478 2.270 1.051 0.664 0.904 0.596 CB 1.456 53 residues pruned to eliminate duplicates Z: 27 45.208 2.255 0.954 0.878 0.923 0.769 CA 1.581 27 residues pruned to eliminate duplicates Z: 13 22.956 2.119 0.704 0.878 1.000 0.833 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 7.198 1.934 0.070 0.363 0.818 0.455 CB 1.486 12 residues pruned to eliminate duplicates Z: 25 47.108 2.172 0.993 0.944 1.000 0.625 CB 1.538 25 residues pruned to eliminate duplicates Z: 24 15.780 2.069 0.627 0.505 0.739 0.565 CB 1.316 24 residues pruned to eliminate duplicates Z: 6 5.167 1.995 -0.255 0.751 0.800 0.800 CB 1.554 Z: 30 47.019 2.126 1.037 0.847 0.966 0.655 CB 1.550 30 residues pruned to eliminate duplicates Z: 25 43.253 2.190 0.788 0.925 0.958 0.833 CA 1.650 25 residues pruned to eliminate duplicates Z: 28 49.705 2.122 1.194 0.923 1.000 0.741 CA 1.443 28 residues pruned to eliminate duplicates Z: 25 49.125 2.190 0.974 0.932 1.000 0.708 CA 1.620 25 residues pruned to eliminate duplicates Z: 61 55.754 2.212 1.086 0.611 0.850 0.567 CB 1.651 61 residues pruned to eliminate duplicates Z: 27 36.432 2.051 0.852 0.900 1.000 0.769 CB 1.344 27 residues pruned to eliminate duplicates Z: 26 53.922 2.222 1.256 0.910 0.960 0.880 CA 1.588 26 residues pruned to eliminate duplicates Z: 17 19.919 2.018 0.823 0.482 0.938 0.688 CB 1.470 17 residues pruned to eliminate duplicates Z: 17 15.012 2.036 0.627 0.443 0.875 0.438 CB 1.373 17 residues pruned to eliminate duplicates Z: 50 43.294 2.114 0.958 0.676 0.918 0.571 CB 1.384 50 residues pruned to eliminate duplicates Z: 26 52.979 2.219 1.198 0.921 0.960 0.640 CB 1.593 26 residues pruned to eliminate duplicates Z: 35 30.508 2.162 0.557 0.578 0.853 0.500 CB 1.691 35 residues pruned to eliminate duplicates Z: 13 17.559 1.950 0.446 0.851 0.917 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 26 39.059 2.132 0.643 0.939 1.000 0.800 CA 1.549 26 residues pruned to eliminate duplicates Z: 42 36.360 2.149 0.696 0.581 0.951 0.488 CB 1.516 42 residues pruned to eliminate duplicates Z: 11 12.868 1.991 0.880 0.531 0.800 0.600 CB 1.318 Z: 15 24.374 2.205 1.038 0.571 0.786 0.643 CB 1.723 15 residues pruned to eliminate duplicates Z: 12 19.755 2.234 0.669 0.843 0.909 0.818 CB 1.308 12 residues pruned to eliminate duplicates Z: 72 46.336 2.167 0.801 0.556 0.873 0.634 CB 1.527 72 residues pruned to eliminate duplicates Z: 10 7.039 1.914 0.191 0.666 0.889 0.556 CB 0.993 Z: 26 49.307 2.169 1.086 0.924 1.000 0.840 CA 1.531 26 residues pruned to eliminate duplicates Z: 27 43.440 2.113 0.995 0.931 1.000 0.615 CB 1.412 27 residues pruned to eliminate duplicates Z: 7 8.442 2.078 0.576 0.502 0.667 0.500 CB 1.575 6 residues pruned to eliminate duplicates Z: 69 56.594 2.218 0.970 0.625 0.912 0.632 CB 1.531 69 residues pruned to eliminate duplicates Z: 14 17.543 1.784 0.569 0.894 1.000 0.923 CB 1.247 14 residues pruned to eliminate duplicates Z: 6 8.928 1.663 0.303 0.864 1.000 0.800 CB 1.351 6 residues pruned to eliminate duplicates Z: 28 52.347 2.167 1.184 0.886 0.963 0.370 CB 1.595 28 residues pruned to eliminate duplicates Z: 25 46.217 2.245 1.041 0.938 0.917 0.750 CB 1.562 25 residues pruned to eliminate duplicates Z: 26 47.481 2.222 1.050 0.893 0.960 0.440 CB 1.559 26 residues pruned to eliminate duplicates Z: 17 13.418 1.859 0.506 0.502 0.875 0.562 CB 1.366 9 residues pruned to eliminate duplicates Z: 27 30.930 2.133 1.135 0.462 0.923 0.654 CB 1.500 28 residues pruned to eliminate duplicates Z: 13 14.706 1.894 0.278 0.818 1.000 0.750 CB 1.331 13 residues pruned to eliminate duplicates Z: 9 18.133 2.197 0.584 0.654 0.875 0.750 CB 1.825 9 residues pruned to eliminate duplicates Z: 65 39.654 2.050 0.753 0.569 0.906 0.531 CB 1.424 65 residues pruned to eliminate duplicates Z: 20 15.579 2.049 0.634 0.453 0.842 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 15 19.567 1.962 0.486 0.845 1.000 0.643 CA 1.334 15 residues pruned to eliminate duplicates Z: 27 38.766 2.114 0.754 0.929 0.962 0.846 CA 1.492 27 residues pruned to eliminate duplicates Z: 11 5.610 1.811 -0.260 0.622 0.900 0.500 CB 1.310 Z: 22 29.222 2.387 0.645 0.698 0.857 0.619 CB 1.581 14 residues pruned to eliminate duplicates Z: 12 11.558 1.899 0.738 0.501 0.727 0.636 CB 1.450 12 residues pruned to eliminate duplicates Z: 51 55.012 2.228 0.929 0.689 0.920 0.660 CB 1.656 59 residues pruned to eliminate duplicates Z: 12 16.996 2.149 0.763 0.635 0.727 0.727 CB 1.638 12 residues pruned to eliminate duplicates Z: 54 42.014 2.112 0.964 0.652 0.906 0.642 CB 1.333 54 residues pruned to eliminate duplicates Z: 39 24.485 2.058 0.481 0.547 0.789 0.526 CB 1.577 39 residues pruned to eliminate duplicates Z: 27 49.930 2.142 1.069 0.907 1.000 0.654 CA 1.570 27 residues pruned to eliminate duplicates Z: 75 65.857 2.208 1.131 0.584 0.892 0.581 CB 1.682 75 residues pruned to eliminate duplicates Z: 12 11.562 1.916 0.693 0.451 0.818 0.636 CB 1.380 11 residues pruned to eliminate duplicates Z: 26 40.519 2.129 0.857 0.911 1.000 0.840 CB 1.453 26 residues pruned to eliminate duplicates Z: 26 40.096 2.142 0.812 0.931 1.000 0.880 CB 1.444 26 residues pruned to eliminate duplicates Z: 62 61.318 2.260 1.136 0.576 0.885 0.656 CB 1.707 62 residues pruned to eliminate duplicates Z: 13 30.047 2.387 0.780 0.921 0.917 0.250 CB 1.568 13 residues pruned to eliminate duplicates Z: 22 22.179 2.247 0.868 0.371 0.810 0.667 CB 1.636 22 residues pruned to eliminate duplicates Z: 9 21.542 2.135 0.752 0.676 1.000 0.750 N 1.731 9 residues pruned to eliminate duplicates Z: 83 50.587 2.166 0.795 0.618 0.890 0.622 CB 1.443 83 residues pruned to eliminate duplicates Z: 7 4.842 1.711 0.736 0.408 0.667 0.500 CB 1.100 Z: 17 11.510 1.954 0.613 0.419 0.750 0.562 CB 1.324 17 residues pruned to eliminate duplicates Z: 6 2.500 1.671 -0.120 0.261 0.800 0.600 CB 1.248 Z: 7 5.252 1.924 0.655 0.406 0.500 0.500 CA 1.487 7 residues pruned to eliminate duplicates Z: 6 3.658 1.872 -0.231 0.695 0.800 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 22 18.312 2.026 0.941 0.504 0.810 0.476 CB 1.250 22 residues pruned to eliminate duplicates Z: 15 23.376 1.916 0.803 0.829 0.929 0.714 CA 1.466 15 residues pruned to eliminate duplicates Z: 26 28.744 2.125 0.714 0.641 0.920 0.400 CB 1.503 26 residues pruned to eliminate duplicates Z: 8 11.227 1.874 0.822 0.664 0.714 0.714 N 1.495 8 residues pruned to eliminate duplicates Z: 24 17.960 2.061 0.773 0.389 0.826 0.522 CB 1.396 24 residues pruned to eliminate duplicates Z: 28 43.595 2.113 1.083 0.885 0.926 0.889 CA 1.487 28 residues pruned to eliminate duplicates Z: 48 45.106 2.081 0.969 0.678 0.894 0.638 CB 1.525 48 residues pruned to eliminate duplicates Z: 18 13.867 1.953 0.695 0.373 0.824 0.588 CA 1.414 18 residues pruned to eliminate duplicates Z: 70 41.041 2.096 0.750 0.577 0.870 0.609 CB 1.438 70 residues pruned to eliminate duplicates Z: 9 12.527 1.970 0.988 0.506 0.875 0.625 CB 1.285 9 residues pruned to eliminate duplicates Z: 13 21.777 2.046 0.733 0.818 0.917 0.833 CA 1.467 13 residues pruned to eliminate duplicates Z: 69 47.444 2.192 0.953 0.570 0.868 0.588 CB 1.447 69 residues pruned to eliminate duplicates Z: 26 45.048 2.158 1.125 0.919 0.960 0.720 CB 1.443 26 residues pruned to eliminate duplicates Z: 25 48.727 2.179 1.170 0.927 0.958 0.833 CA 1.539 25 residues pruned to eliminate duplicates Z: 52 50.061 2.236 0.971 0.656 0.922 0.588 CB 1.493 52 residues pruned to eliminate duplicates Z: 10 7.890 1.916 0.729 0.562 0.778 0.667 CB 0.961 10 residues pruned to eliminate duplicates Z: 26 35.051 2.105 0.624 0.926 1.000 0.920 CB 1.438 26 residues pruned to eliminate duplicates Z: 6 3.846 1.519 0.089 0.757 0.800 0.400 CB 1.034 6 residues pruned to eliminate duplicates Z: 27 51.369 2.116 1.146 0.938 1.000 0.577 CB 1.542 27 residues pruned to eliminate duplicates Z: 49 41.762 2.071 1.000 0.657 0.938 0.708 CB 1.342 49 residues pruned to eliminate duplicates Z: 15 29.533 1.985 1.029 0.855 1.000 0.286 CA 1.447 15 residues pruned to eliminate duplicates Z: 25 50.023 2.161 1.120 0.949 0.958 0.667 CB 1.605 25 residues pruned to eliminate duplicates Z: 56 66.526 2.275 1.171 0.641 0.927 0.764 CB 1.716 56 residues pruned to eliminate duplicates Z: 28 36.532 2.029 0.755 0.922 1.000 0.852 CA 1.389 28 residues pruned to eliminate duplicates Z: 14 10.689 2.060 0.568 0.342 0.846 0.308 CB 1.288 14 residues pruned to eliminate duplicates Z: 42 48.423 2.167 0.958 0.696 0.951 0.683 CB 1.567 41 residues pruned to eliminate duplicates Z: 7 4.161 1.429 0.135 0.599 0.833 0.333 C 1.144 Z: 26 55.752 2.215 1.130 0.920 1.000 0.640 CB 1.665 26 residues pruned to eliminate duplicates Z: 9 13.941 1.978 0.733 0.688 0.875 0.875 N 1.383 9 residues pruned to eliminate duplicates Z: 10 7.532 1.857 0.304 0.343 0.778 0.333 CB 1.582 Z: 49 44.203 2.148 1.005 0.601 0.854 0.583 CB 1.576 49 residues pruned to eliminate duplicates Z: 14 35.099 2.377 0.794 0.908 1.000 0.692 CB 1.622 14 residues pruned to eliminate duplicates Z: 52 56.938 2.250 1.137 0.654 0.941 0.627 CB 1.527 52 residues pruned to eliminate duplicates Z: 24 52.341 2.225 1.054 0.962 1.000 0.739 CB 1.634 24 residues pruned to eliminate duplicates Z: 72 42.416 2.115 0.898 0.535 0.873 0.634 CB 1.388 72 residues pruned to eliminate duplicates Z: 9 6.298 1.868 0.011 0.352 1.000 0.625 CB 1.385 Z: 28 55.421 2.236 1.194 0.862 1.000 0.630 CA 1.596 28 residues pruned to eliminate duplicates Z: 13 17.002 1.830 0.411 0.872 1.000 0.667 CA 1.386 13 residues pruned to eliminate duplicates Z: 15 13.381 2.104 0.859 0.419 0.643 0.429 CB 1.548 15 residues pruned to eliminate duplicates Z: 17 18.085 2.105 0.867 0.451 0.812 0.375 CB 1.489 17 residues pruned to eliminate duplicates Z: 14 19.692 2.135 1.046 0.501 0.846 0.615 CB 1.476 14 residues pruned to eliminate duplicates Z: 10 16.320 1.954 0.615 0.838 0.889 0.889 CB 1.450 10 residues pruned to eliminate duplicates Z: 11 3.370 1.623 -0.019 0.341 0.800 0.400 CB 0.995 Z: 18 11.526 1.977 0.670 0.368 0.824 0.412 CB 1.184 18 residues pruned to eliminate duplicates Z: 7 2.259 1.614 0.115 0.524 0.833 0.667 CB 0.600 Z: 24 46.477 2.214 0.885 0.948 0.957 0.913 CA 1.677 24 residues pruned to eliminate duplicates Z: 6 6.149 1.921 -0.201 0.860 1.000 1.000 CB 1.317 Z: 70 48.436 2.170 1.022 0.561 0.899 0.565 CB 1.394 70 residues pruned to eliminate duplicates Z: 10 3.034 1.630 0.251 0.368 0.556 0.222 CB 1.029 10 residues pruned to eliminate duplicates Z: 14 15.162 2.219 0.065 0.860 0.846 0.615 CB 1.546 14 residues pruned to eliminate duplicates Z: 23 22.085 2.064 0.678 0.514 0.818 0.636 CB 1.639 23 residues pruned to eliminate duplicates Z: 21 18.179 2.007 0.919 0.389 0.850 0.500 CB 1.397 21 residues pruned to eliminate duplicates Z: 16 16.233 1.874 0.336 0.844 1.000 0.867 CA 1.246 16 residues pruned to eliminate duplicates Z: 15 20.676 1.987 0.813 0.836 0.929 0.786 CA 1.236 15 residues pruned to eliminate duplicates Z: 12 22.083 2.171 0.921 0.597 0.909 0.636 CB 1.602 12 residues pruned to eliminate duplicates Z: 13 2.842 1.433 0.193 0.250 0.667 0.417 CB 0.959 24 residues pruned to eliminate duplicates Z: 76 56.093 2.165 0.855 0.646 0.933 0.680 CB 1.508 76 residues pruned to eliminate duplicates Z: 7 8.070 1.794 0.014 0.865 1.000 1.000 CB 1.327 Z: 26 44.509 2.140 0.899 0.933 1.000 0.800 CA 1.529 26 residues pruned to eliminate duplicates Z: 64 55.495 2.229 1.016 0.635 0.921 0.619 CB 1.488 64 residues pruned to eliminate duplicates 6 1.911 1.338 0.639 0.471 0.800 0.600 CB 0.502 ? Z: 25 50.519 2.191 0.982 0.930 1.000 0.833 CA 1.660 25 residues pruned to eliminate duplicates Z: 15 26.368 2.127 1.001 0.851 0.929 0.500 CB 1.320 15 residues pruned to eliminate duplicates Z: 52 45.148 2.126 0.840 0.693 0.961 0.784 CB 1.410 52 residues pruned to eliminate duplicates Z: 26 45.153 2.131 1.098 0.950 1.000 0.800 CB 1.392 26 residues pruned to eliminate duplicates Z: 20 22.013 2.071 0.744 0.568 0.842 0.368 CA 1.556 20 residues pruned to eliminate duplicates Z: 54 42.956 2.098 0.926 0.641 0.906 0.604 CB 1.413 54 residues pruned to eliminate duplicates Z: 28 44.205 2.163 0.873 0.893 0.963 0.704 CA 1.565 28 residues pruned to eliminate duplicates Z: 8 6.173 1.514 0.513 0.387 1.000 0.143 CB 1.149 4 residues pruned to eliminate duplicates Z: 13 14.497 2.003 0.879 0.522 0.833 0.583 CB 1.306 13 residues pruned to eliminate duplicates Z: 8 5.990 1.653 0.028 0.771 1.000 1.000 CB 1.049 Z: 13 27.606 2.066 0.796 0.885 0.917 0.667 CA 1.692 13 residues pruned to eliminate duplicates Z: 7 6.215 1.736 0.045 0.680 0.833 0.667 CB 1.423 Z: 34 32.080 2.222 0.560 0.555 0.879 0.515 CB 1.738 34 residues pruned to eliminate duplicates Z: 63 48.552 2.110 0.992 0.610 0.871 0.677 CB 1.517 63 residues pruned to eliminate duplicates Z: 18 12.918 1.938 0.595 0.457 0.706 0.529 CB 1.500 18 residues pruned to eliminate duplicates Z: 49 52.612 2.260 1.075 0.727 0.938 0.625 CB 1.407 49 residues pruned to eliminate duplicates Z: 8 7.697 1.700 0.545 0.547 0.857 0.286 CB 1.234 7 residues pruned to eliminate duplicates Z: 68 54.945 2.211 1.034 0.617 0.925 0.657 CB 1.444 70 residues pruned to eliminate duplicates Z: 21 12.998 1.903 0.349 0.512 0.800 0.650 N 1.399 21 residues pruned to eliminate duplicates Z: 6 5.235 1.945 -0.254 0.844 1.000 1.000 CB 1.201 6 residues pruned to eliminate duplicates Z: 12 13.306 1.945 0.617 0.546 1.000 0.455 CB 1.220 12 residues pruned to eliminate duplicates Z: 25 51.239 2.193 1.001 0.944 1.000 0.625 CB 1.651 25 residues pruned to eliminate duplicates Z: 9 4.634 1.868 0.185 0.330 0.750 0.250 CB 1.190 7 residues pruned to eliminate duplicates Z: 26 33.556 2.109 0.542 0.917 1.000 0.920 CA 1.456 26 residues pruned to eliminate duplicates Z: 21 13.064 1.957 0.498 0.400 0.800 0.600 CB 1.385 21 residues pruned to eliminate duplicates Z: 32 33.191 2.206 0.563 0.658 0.871 0.742 CB 1.714 32 residues pruned to eliminate duplicates Z: 48 49.884 2.210 0.956 0.719 0.872 0.766 CB 1.584 48 residues pruned to eliminate duplicates Z: 12 11.922 1.900 0.509 0.507 0.818 0.545 CA 1.522 12 residues pruned to eliminate duplicates Z: 26 44.201 2.144 1.070 0.918 1.000 0.720 CB 1.404 26 residues pruned to eliminate duplicates Z: 13 12.685 1.946 0.560 0.522 0.917 0.500 CB 1.288 13 residues pruned to eliminate duplicates Z: 52 51.610 2.269 1.121 0.672 0.882 0.725 CB 1.452 52 residues pruned to eliminate duplicates Z: 16 23.873 1.919 0.784 0.812 1.000 0.533 CA 1.372 16 residues pruned to eliminate duplicates Z: 22 30.914 2.358 0.735 0.704 0.905 0.762 CB 1.513 22 residues pruned to eliminate duplicates Z: 15 11.301 2.082 0.600 0.367 0.786 0.429 CB 1.331 15 residues pruned to eliminate duplicates Z: 27 51.735 2.263 1.149 0.881 0.962 0.692 CA 1.571 27 residues pruned to eliminate duplicates Z: 30 22.057 2.101 0.729 0.456 0.862 0.552 CB 1.368 30 residues pruned to eliminate duplicates Z: 26 52.712 2.305 1.019 0.933 0.960 0.920 CB 1.647 26 residues pruned to eliminate duplicates Z: 20 17.652 1.959 0.685 0.402 0.895 0.474 CB 1.520 20 residues pruned to eliminate duplicates Z: 15 11.507 1.725 0.461 0.562 0.929 0.500 CB 1.238 14 residues pruned to eliminate duplicates Z: 52 48.832 2.131 0.976 0.685 0.980 0.725 CB 1.398 52 residues pruned to eliminate duplicates Z: 6 3.682 1.637 -0.240 0.495 1.000 0.800 CB 1.330 Z: 46 62.736 2.251 1.193 0.705 0.933 0.711 CB 1.685 46 residues pruned to eliminate duplicates Z: 6 2.238 1.895 0.383 0.435 0.600 0.600 CB 0.681 6 residues pruned to eliminate duplicates Z: 8 3.999 1.819 -0.143 0.445 0.714 0.571 C 1.436 Z: 26 36.547 2.079 0.861 0.919 0.960 0.920 CB 1.387 26 residues pruned to eliminate duplicates Z: 8 6.199 1.912 0.086 0.510 0.714 0.571 O 1.563 Z: 17 8.282 1.770 0.374 0.444 0.750 0.625 CB 1.203 17 residues pruned to eliminate duplicates Z: 11 20.370 1.962 0.647 0.905 1.000 1.000 CA 1.419 11 residues pruned to eliminate duplicates Z: 7 3.562 1.847 -0.197 0.464 0.667 0.667 CB 1.524 Z: 33 31.320 2.209 0.633 0.584 0.812 0.594 CB 1.743 33 residues pruned to eliminate duplicates Z: 8 14.572 1.839 0.667 0.747 1.000 1.000 CB 1.442 8 residues pruned to eliminate duplicates Z: 6 15.758 2.105 0.963 0.689 1.000 1.000 CA 1.434 6 residues pruned to eliminate duplicates Z: 12 12.080 2.087 0.683 0.411 0.818 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 59 51.882 2.208 1.079 0.567 0.845 0.448 CB 1.646 59 residues pruned to eliminate duplicates Z: 26 36.526 2.104 0.677 0.929 1.000 0.960 CB 1.449 26 residues pruned to eliminate duplicates Z: 8 3.626 1.595 0.055 0.374 0.714 0.571 C 1.305 Z: 6 3.847 1.623 0.174 0.532 0.800 0.600 N 1.093 5 residues pruned to eliminate duplicates Z: 11 8.771 1.862 0.558 0.457 0.900 0.600 N 1.110 Z: 7 4.234 1.601 -0.032 0.625 1.000 0.833 N 0.992 7 residues pruned to eliminate duplicates Z: 31 29.059 2.124 0.856 0.560 0.867 0.600 CB 1.464 31 residues pruned to eliminate duplicates Z: 30 50.813 2.128 1.196 0.854 0.966 0.552 CB 1.544 30 residues pruned to eliminate duplicates Z: 27 48.970 2.123 1.123 0.936 1.000 0.923 CA 1.483 27 residues pruned to eliminate duplicates Z: 27 37.353 2.076 0.762 0.918 0.962 0.654 CA 1.469 27 residues pruned to eliminate duplicates Z: 6 7.698 1.933 0.295 0.626 1.000 0.800 CA 1.221 7 residues pruned to eliminate duplicates Z: 30 26.734 2.190 0.740 0.438 0.897 0.621 CB 1.549 30 residues pruned to eliminate duplicates Z: 75 48.148 2.058 0.833 0.634 0.919 0.608 CB 1.424 75 residues pruned to eliminate duplicates Z: 16 21.985 1.886 0.492 0.909 1.000 0.800 CA 1.432 16 residues pruned to eliminate duplicates Z: 26 57.498 2.262 1.272 0.917 1.000 0.440 CB 1.579 26 residues pruned to eliminate duplicates Z: 26 25.745 2.110 0.667 0.657 0.880 0.360 CB 1.438 26 residues pruned to eliminate duplicates Z: 33 31.908 2.213 0.559 0.581 0.844 0.562 CB 1.793 33 residues pruned to eliminate duplicates Z: 27 42.883 2.059 0.967 0.930 1.000 0.577 CB 1.452 27 residues pruned to eliminate duplicates Z: 21 29.503 2.004 1.001 0.515 1.000 0.650 CA 1.621 21 residues pruned to eliminate duplicates Z: 9 9.495 1.822 0.857 0.474 0.875 0.500 CB 1.165 9 residues pruned to eliminate duplicates Z: 59 51.309 2.125 0.966 0.618 0.948 0.655 CB 1.522 59 residues pruned to eliminate duplicates Z: 49 41.939 2.108 0.946 0.655 0.896 0.604 CB 1.426 49 residues pruned to eliminate duplicates Z: 27 53.939 2.254 1.123 0.897 1.000 0.654 CA 1.582 27 residues pruned to eliminate duplicates Z: 10 10.727 1.956 0.777 0.458 0.889 0.444 CB 1.208 10 residues pruned to eliminate duplicates Z: 8 4.550 1.811 -0.355 0.660 0.857 0.571 N 1.481 5 residues pruned to eliminate duplicates Z: 10 10.835 2.166 0.931 0.356 0.778 0.556 CB 1.298 10 residues pruned to eliminate duplicates Z: 34 22.993 2.078 0.687 0.488 0.758 0.545 CB 1.525 34 residues pruned to eliminate duplicates Z: 6 3.570 1.759 -0.076 0.636 0.800 0.600 C 1.081 6 residues pruned to eliminate duplicates Z: 25 45.573 2.173 0.852 0.935 1.000 0.833 CA 1.611 25 residues pruned to eliminate duplicates Z: 16 18.457 1.866 0.717 0.805 0.933 0.733 CA 1.222 16 residues pruned to eliminate duplicates Z: 16 22.478 1.848 0.677 0.856 1.000 0.600 CA 1.382 16 residues pruned to eliminate duplicates Z: 9 4.081 1.691 0.076 0.518 0.875 0.750 CB 0.890 Z: 42 30.899 2.104 0.982 0.487 0.878 0.439 CB 1.336 42 residues pruned to eliminate duplicates Z: 10 2.846 1.637 0.526 0.283 0.444 0.333 CB 1.091 10 residues pruned to eliminate duplicates Z: 26 55.139 2.262 1.206 0.879 1.000 0.640 CA 1.603 26 residues pruned to eliminate duplicates Z: 8 4.343 1.446 0.322 0.476 0.714 0.714 CB 1.231 8 residues pruned to eliminate duplicates 10 1.083 1.265 0.236 0.166 0.667 0.444 CB 0.520 ? Z: 7 3.020 1.512 0.238 0.295 0.667 0.333 O 1.242 Z: 66 38.383 2.002 0.912 0.568 0.877 0.508 CB 1.328 66 residues pruned to eliminate duplicates Z: 7 2.177 1.467 0.113 0.314 0.833 0.667 CB 0.803 Z: 10 10.184 1.867 1.098 0.541 0.667 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 10 6.458 1.637 -0.013 0.662 0.889 0.778 CB 1.290 7 residues pruned to eliminate duplicates Z: 16 15.911 1.960 0.821 0.454 0.800 0.733 CB 1.509 16 residues pruned to eliminate duplicates Z: 52 56.917 2.260 1.098 0.683 0.922 0.686 CB 1.542 52 residues pruned to eliminate duplicates Z: 17 32.564 2.012 0.935 0.899 1.000 0.562 CB 1.494 17 residues pruned to eliminate duplicates Z: 17 7.998 1.791 0.146 0.486 0.875 0.562 CB 1.129 17 residues pruned to eliminate duplicates Z: 11 4.990 1.744 0.156 0.469 0.700 0.600 N 1.154 11 residues pruned to eliminate duplicates Z: 7 4.680 1.883 -0.281 0.634 1.000 0.667 CB 1.245 Z: 38 33.040 2.106 0.723 0.623 0.892 0.595 CB 1.495 39 residues pruned to eliminate duplicates Z: 14 13.082 1.863 0.265 0.789 0.846 0.538 CA 1.411 14 residues pruned to eliminate duplicates Z: 9 10.878 1.855 0.807 0.612 1.000 0.625 CB 1.032 9 residues pruned to eliminate duplicates Z: 12 11.760 1.923 0.621 0.311 0.909 0.455 CA 1.544 12 residues pruned to eliminate duplicates Z: 10 27.031 2.223 1.376 0.637 0.889 0.889 CA 1.688 10 residues pruned to eliminate duplicates Z: 21 17.327 2.005 0.956 0.498 0.850 0.450 CB 1.164 21 residues pruned to eliminate duplicates Z: 7 4.476 1.476 0.749 0.359 0.667 0.667 CB 1.236 7 residues pruned to eliminate duplicates Z: 13 16.419 1.815 0.545 0.852 0.917 0.667 CA 1.363 13 residues pruned to eliminate duplicates Z: 12 14.568 2.053 0.733 0.527 0.909 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 25 46.343 2.170 1.198 0.938 0.958 0.667 CB 1.439 25 residues pruned to eliminate duplicates Z: 29 33.146 2.095 0.705 0.832 1.000 0.643 CA 1.317 29 residues pruned to eliminate duplicates Z: 55 44.538 2.124 0.972 0.609 0.889 0.556 CB 1.468 55 residues pruned to eliminate duplicates Z: 6 5.263 2.117 -0.281 0.541 0.800 0.400 CB 1.855 6 residues pruned to eliminate duplicates Z: 6 5.327 1.706 0.169 0.630 0.800 0.800 N 1.321 6 residues pruned to eliminate duplicates Z: 12 18.642 1.995 0.740 0.794 0.909 0.636 CA 1.376 12 residues pruned to eliminate duplicates Z: 64 51.234 2.205 0.945 0.660 0.857 0.667 CB 1.513 64 residues pruned to eliminate duplicates Z: 28 39.930 2.109 0.947 0.859 0.926 0.778 CA 1.487 28 residues pruned to eliminate duplicates Z: 19 20.623 2.062 0.632 0.610 0.944 0.667 CB 1.378 19 residues pruned to eliminate duplicates Z: 54 51.995 2.247 0.963 0.627 0.925 0.623 CB 1.554 54 residues pruned to eliminate duplicates Z: 6 3.497 1.702 -0.206 0.614 0.800 0.800 CB 1.299 6 residues pruned to eliminate duplicates Z: 25 41.113 2.158 0.719 0.946 1.000 0.958 CA 1.564 25 residues pruned to eliminate duplicates Z: 9 5.314 1.789 0.303 0.380 0.625 0.500 CB 1.466 9 residues pruned to eliminate duplicates Z: 15 14.718 1.870 0.750 0.508 0.929 0.571 CB 1.284 10 residues pruned to eliminate duplicates Z: 6 4.747 1.888 -0.370 0.855 1.000 0.800 CB 1.317 6 residues pruned to eliminate duplicates Z: 15 21.709 1.953 0.579 0.871 1.000 0.857 CA 1.373 15 residues pruned to eliminate duplicates Z: 14 16.870 1.747 0.629 0.784 1.000 0.692 CA 1.281 13 residues pruned to eliminate duplicates Z: 26 29.956 2.076 0.592 0.871 0.960 0.760 CB 1.378 26 residues pruned to eliminate duplicates Z: 8 9.308 1.717 0.369 0.629 0.857 0.714 CB 1.546 8 residues pruned to eliminate duplicates Z: 16 18.390 1.799 0.609 0.777 1.000 0.333 CA 1.285 16 residues pruned to eliminate duplicates Z: 13 11.509 1.871 0.610 0.533 0.833 0.583 N 1.281 15 residues pruned to eliminate duplicates Z: 52 52.985 2.215 0.966 0.652 0.961 0.667 CB 1.540 52 residues pruned to eliminate duplicates Z: 20 19.247 2.111 0.310 0.677 0.947 0.684 CB 1.431 32 residues pruned to eliminate duplicates Z: 8 6.049 1.701 -0.213 0.836 1.000 0.857 N 1.278 8 residues pruned to eliminate duplicates Z: 26 39.132 2.105 0.999 0.917 0.960 0.520 CB 1.368 26 residues pruned to eliminate duplicates Z: 7 6.288 1.812 -0.193 0.740 1.000 0.833 CB 1.415 6 residues pruned to eliminate duplicates Z: 10 6.065 1.766 -0.135 0.642 1.000 0.556 CB 1.159 10 residues pruned to eliminate duplicates Z: 65 62.468 2.262 1.117 0.602 0.906 0.641 CB 1.633 65 residues pruned to eliminate duplicates Z: 9 5.001 1.657 0.212 0.307 0.875 0.500 CB 1.247 Z: 25 54.225 2.202 1.096 0.931 1.000 0.792 CA 1.676 25 residues pruned to eliminate duplicates Z: 47 52.709 2.275 1.076 0.549 0.891 0.739 CA 1.760 47 residues pruned to eliminate duplicates Z: 13 16.052 1.817 0.479 0.825 1.000 0.583 CA 1.301 13 residues pruned to eliminate duplicates Z: 7 8.505 1.893 0.146 0.560 1.000 0.833 CB 1.510 8 residues pruned to eliminate duplicates Z: 13 15.489 2.004 1.055 0.519 0.833 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 9 2.843 1.559 -0.162 0.644 0.875 0.750 CB 0.768 8 residues pruned to eliminate duplicates Z: 26 35.311 2.120 0.640 0.937 1.000 0.920 CB 1.414 26 residues pruned to eliminate duplicates Z: 26 50.141 2.191 1.227 0.926 0.960 0.840 CA 1.501 26 residues pruned to eliminate duplicates Z: 24 42.912 2.131 0.946 0.916 1.000 0.783 CB 1.524 24 residues pruned to eliminate duplicates Z: 70 54.687 2.201 1.007 0.621 0.913 0.638 CB 1.456 70 residues pruned to eliminate duplicates Z: 8 4.549 1.649 0.028 0.438 0.857 0.714 N 1.262 8 residues pruned to eliminate duplicates Z: 9 8.617 1.812 0.420 0.420 1.000 0.625 CB 1.288 9 residues pruned to eliminate duplicates 6 1.361 1.379 0.228 0.478 1.000 0.800 CB 0.368 ? Z: 25 57.420 2.242 1.294 0.931 1.000 0.708 CA 1.593 25 residues pruned to eliminate duplicates Z: 8 5.448 1.472 0.797 0.475 0.857 0.571 CB 0.932 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 13.776 1.962 0.632 0.444 0.800 0.667 CB 1.470 24 residues pruned to eliminate duplicates Z: 9 5.275 1.936 -0.227 0.357 0.875 0.750 N 1.662 Z: 7 4.710 1.570 0.612 0.482 1.000 0.667 CB 0.774 7 residues pruned to eliminate duplicates Z: 10 9.757 1.907 0.745 0.567 0.889 0.778 CB 1.031 9 residues pruned to eliminate duplicates Z: 6 4.535 1.335 0.579 0.457 1.000 0.800 CA 1.006 6 residues pruned to eliminate duplicates Z: 12 13.322 1.947 0.630 0.518 0.818 0.636 CB 1.520 12 residues pruned to eliminate duplicates Z: 12 13.325 1.944 0.442 0.495 1.000 0.545 CB 1.440 12 residues pruned to eliminate duplicates Z: 6 5.519 1.543 0.696 0.450 0.800 0.800 C 1.242 6 residues pruned to eliminate duplicates Z: 11 14.398 1.922 0.676 0.542 1.000 0.600 CB 1.356 10 residues pruned to eliminate duplicates Z: 6 3.811 1.593 0.247 0.353 0.800 0.800 CB 1.258 6 residues pruned to eliminate duplicates Z: 15 10.561 1.837 0.322 0.513 0.857 0.571 CB 1.339 15 residues pruned to eliminate duplicates Z: 15 11.809 1.855 0.445 0.579 0.929 0.571 CB 1.175 15 residues pruned to eliminate duplicates Z: 16 12.444 1.795 0.502 0.524 0.933 0.533 CB 1.246 16 residues pruned to eliminate duplicates Z: 12 6.358 1.866 0.160 0.424 0.818 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 15 12.250 1.821 0.473 0.545 1.000 0.643 CB 1.168 15 residues pruned to eliminate duplicates Z: 12 10.441 1.926 0.384 0.496 1.000 0.455 CB 1.185 12 residues pruned to eliminate duplicates Z: 15 9.338 1.750 0.532 0.445 0.929 0.500 CB 1.060 15 residues pruned to eliminate duplicates Z: 15 13.451 1.891 0.455 0.586 0.929 0.643 CB 1.295 15 residues pruned to eliminate duplicates Z: 81 74.324 2.301 1.101 0.608 0.913 0.613 CB 1.700 81 residues pruned to eliminate duplicates Z: 28 31.192 2.177 0.878 0.488 0.926 0.593 CA 1.605 28 residues pruned to eliminate duplicates Z: 8 8.870 1.916 0.775 0.574 0.857 0.571 CB 1.071 8 residues pruned to eliminate duplicates Z: 33 28.704 2.148 0.957 0.399 0.875 0.625 CB 1.535 33 residues pruned to eliminate duplicates Z: 65 63.274 2.236 1.098 0.601 0.906 0.625 CA 1.690 65 residues pruned to eliminate duplicates Z: 77 69.710 2.242 1.126 0.590 0.908 0.671 CB 1.695 77 residues pruned to eliminate duplicates Z: 6 3.060 1.869 0.964 0.100 0.600 0.200 CA 1.035 6 residues pruned to eliminate duplicates Z: 25 19.046 2.110 0.795 0.336 0.875 0.583 CB 1.403 25 residues pruned to eliminate duplicates Z: 69 61.329 2.204 1.219 0.580 0.897 0.529 CB 1.571 69 residues pruned to eliminate duplicates Z: 80 70.037 2.261 1.069 0.576 0.937 0.646 CB 1.671 80 residues pruned to eliminate duplicates Z: 26 29.769 2.182 1.048 0.474 0.880 0.600 CA 1.555 26 residues pruned to eliminate duplicates Z: 27 22.277 2.105 1.076 0.435 0.769 0.577 CB 1.390 27 residues pruned to eliminate duplicates Z: 19 12.763 1.964 0.585 0.324 0.889 0.611 CB 1.319 19 residues pruned to eliminate duplicates Z: 23 20.584 2.172 0.904 0.432 0.818 0.636 CB 1.391 23 residues pruned to eliminate duplicates Z: 69 50.895 2.174 1.076 0.530 0.882 0.632 CB 1.505 69 residues pruned to eliminate duplicates Z: 21 24.631 2.016 1.261 0.439 0.900 0.600 CB 1.429 21 residues pruned to eliminate duplicates Z: 74 68.001 2.268 1.089 0.615 0.904 0.616 CB 1.666 74 residues pruned to eliminate duplicates Z: 72 79.174 2.277 1.234 0.642 0.944 0.648 CB 1.714 73 residues pruned to eliminate duplicates Z: 7 10.000 1.918 1.229 0.387 0.833 0.333 CA 1.292 7 residues pruned to eliminate duplicates Z: 26 28.329 2.088 1.106 0.435 0.880 0.600 CA 1.566 26 residues pruned to eliminate duplicates Z: 71 69.956 2.245 1.210 0.637 0.900 0.657 CB 1.648 71 residues pruned to eliminate duplicates Z: 77 73.576 2.262 1.147 0.630 0.908 0.711 CB 1.694 77 residues pruned to eliminate duplicates Z: 62 62.294 2.272 1.081 0.584 0.918 0.623 CB 1.695 62 residues pruned to eliminate duplicates Z: 76 69.838 2.217 1.150 0.600 0.907 0.587 CB 1.697 76 residues pruned to eliminate duplicates Z: 58 67.074 2.273 1.137 0.644 0.930 0.667 CB 1.719 58 residues pruned to eliminate duplicates Z: 69 69.699 2.280 1.182 0.612 0.897 0.662 CB 1.703 69 residues pruned to eliminate duplicates Z: 74 73.990 2.271 1.265 0.614 0.904 0.671 CB 1.671 74 residues pruned to eliminate duplicates Z: 46 55.578 2.242 1.156 0.650 0.911 0.689 CB 1.637 46 residues pruned to eliminate duplicates Z: 79 70.589 2.223 1.218 0.612 0.885 0.641 CB 1.648 79 residues pruned to eliminate duplicates Z: 49 64.012 2.300 1.227 0.669 0.896 0.646 CB 1.723 49 residues pruned to eliminate duplicates Z: 74 65.057 2.237 1.081 0.595 0.890 0.671 CB 1.678 74 residues pruned to eliminate duplicates Z: 61 61.846 2.257 1.111 0.604 0.917 0.733 CB 1.656 61 residues pruned to eliminate duplicates Z: 67 61.913 2.264 1.061 0.602 0.894 0.591 CB 1.658 67 residues pruned to eliminate duplicates Z: 69 71.431 2.286 1.158 0.614 0.912 0.632 CB 1.728 69 residues pruned to eliminate duplicates Z: 78 61.892 2.229 1.060 0.578 0.896 0.636 CB 1.590 78 residues pruned to eliminate duplicates Z: 57 61.819 2.265 1.060 0.625 0.946 0.643 CB 1.664 57 residues pruned to eliminate duplicates Z: 71 71.303 2.290 1.170 0.593 0.914 0.629 CB 1.716 71 residues pruned to eliminate duplicates Z: 50 60.058 2.283 1.242 0.675 0.918 0.633 CB 1.554 50 residues pruned to eliminate duplicates Z: 69 62.516 2.222 1.089 0.582 0.912 0.588 CB 1.655 69 residues pruned to eliminate duplicates Z: 80 63.741 2.208 1.165 0.574 0.861 0.658 CB 1.622 80 residues pruned to eliminate duplicates Z: 50 62.187 2.271 1.251 0.649 0.939 0.592 CB 1.611 50 residues pruned to eliminate duplicates Z: 59 62.847 2.266 1.164 0.627 0.897 0.621 CA 1.665 59 residues pruned to eliminate duplicates Z: 71 59.888 2.214 1.059 0.584 0.886 0.629 CB 1.635 71 residues pruned to eliminate duplicates Z: 71 60.427 2.223 1.116 0.575 0.871 0.600 CB 1.639 71 residues pruned to eliminate duplicates Z: 57 65.277 2.255 1.188 0.633 0.929 0.696 CB 1.681 57 residues pruned to eliminate duplicates Z: 67 65.766 2.295 1.151 0.600 0.879 0.621 CB 1.697 67 residues pruned to eliminate duplicates Z: 75 67.280 2.269 1.145 0.585 0.892 0.662 CB 1.661 75 residues pruned to eliminate duplicates Z: 65 61.381 2.264 1.014 0.576 0.906 0.562 CB 1.725 65 residues pruned to eliminate duplicates Z: 74 67.243 2.238 1.086 0.634 0.932 0.616 CB 1.596 91 residues pruned to eliminate duplicates Z: 29 47.179 2.051 1.179 0.878 0.964 0.714 CA 1.502 29 residues pruned to eliminate duplicates Z: 59 62.928 2.240 1.251 0.622 0.862 0.638 CB 1.694 59 residues pruned to eliminate duplicates Z: 55 59.075 2.182 1.125 0.604 0.944 0.593 CB 1.664 55 residues pruned to eliminate duplicates Z: 64 61.016 2.200 1.220 0.602 0.873 0.587 CB 1.635 64 residues pruned to eliminate duplicates Z: 62 63.035 2.242 1.189 0.601 0.902 0.607 CB 1.656 62 residues pruned to eliminate duplicates Z: 61 60.440 2.223 1.185 0.589 0.900 0.567 CB 1.639 61 residues pruned to eliminate duplicates Z: 64 65.620 2.291 1.190 0.621 0.905 0.651 CB 1.624 64 residues pruned to eliminate duplicates Z: 73 76.452 2.265 1.221 0.645 0.931 0.625 CB 1.681 73 residues pruned to eliminate duplicates Z: 60 65.189 2.255 1.181 0.614 0.915 0.559 CB 1.693 60 residues pruned to eliminate duplicates Z: 22 19.229 2.045 0.816 0.386 0.810 0.571 CB 1.576 22 residues pruned to eliminate duplicates Z: 71 66.791 2.258 1.164 0.596 0.900 0.614 CB 1.656 71 residues pruned to eliminate duplicates Z: 34 25.139 2.163 0.678 0.392 0.818 0.455 CB 1.651 34 residues pruned to eliminate duplicates Z: 52 61.397 2.227 1.191 0.656 0.922 0.608 CB 1.653 52 residues pruned to eliminate duplicates Z: 77 64.481 2.250 1.082 0.585 0.868 0.618 CB 1.676 77 residues pruned to eliminate duplicates Z: 61 57.928 2.246 1.057 0.586 0.900 0.567 CB 1.657 61 residues pruned to eliminate duplicates Z: 13 17.163 2.065 0.893 0.448 0.917 0.500 CB 1.458 13 residues pruned to eliminate duplicates Z: 17 21.790 2.142 1.040 0.476 0.875 0.562 CB 1.460 17 residues pruned to eliminate duplicates Z: 17 20.149 2.151 0.976 0.371 0.875 0.438 CB 1.555 17 residues pruned to eliminate duplicates Z: 71 72.074 2.276 1.262 0.619 0.900 0.600 CB 1.662 71 residues pruned to eliminate duplicates Z: 10 11.891 2.118 0.706 0.457 0.778 0.333 CB 1.474 10 residues pruned to eliminate duplicates Z: 8 14.110 2.134 0.923 0.595 0.857 0.714 CB 1.385 8 residues pruned to eliminate duplicates Z: 20 20.102 2.163 0.849 0.499 0.789 0.579 CA 1.462 20 residues pruned to eliminate duplicates Z: 11 16.546 2.202 0.557 0.558 0.900 0.600 CB 1.603 11 residues pruned to eliminate duplicates Z: 66 62.681 2.229 1.167 0.613 0.877 0.492 CB 1.649 66 residues pruned to eliminate duplicates Z: 11 15.088 2.113 0.625 0.492 0.900 0.400 CA 1.557 11 residues pruned to eliminate duplicates Z: 33 29.827 2.245 0.819 0.522 0.781 0.531 CB 1.616 33 residues pruned to eliminate duplicates Z: 12 22.811 2.220 1.085 0.642 0.818 0.727 CB 1.590 12 residues pruned to eliminate duplicates Z: 20 26.427 2.186 1.031 0.556 0.842 0.632 CB 1.536 20 residues pruned to eliminate duplicates Z: 68 56.634 2.184 1.160 0.583 0.866 0.567 CB 1.564 68 residues pruned to eliminate duplicates Z: 13 14.935 2.084 0.778 0.549 0.750 0.583 CB 1.479 13 residues pruned to eliminate duplicates Z: 26 28.867 2.225 0.730 0.642 0.840 0.600 CB 1.564 26 residues pruned to eliminate duplicates Z: 14 26.624 2.208 0.764 0.757 0.923 0.692 CB 1.634 14 residues pruned to eliminate duplicates Z: 16 20.184 2.029 0.802 0.642 0.867 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 35 33.786 2.209 0.671 0.650 0.853 0.676 CB 1.601 35 residues pruned to eliminate duplicates Z: 44 41.674 2.255 0.878 0.602 0.837 0.512 CB 1.626 144 residues pruned to eliminate duplicates Z: 22 32.076 2.372 0.823 0.631 0.857 0.476 CB 1.670 22 residues pruned to eliminate duplicates Z: 22 31.958 2.391 0.778 0.662 0.905 0.524 CB 1.560 22 residues pruned to eliminate duplicates Z: 25 34.736 2.255 0.798 0.662 0.958 0.583 CB 1.571 25 residues pruned to eliminate duplicates Z: 25 34.186 2.281 0.670 0.684 0.958 0.542 CB 1.614 25 residues pruned to eliminate duplicates Z: 13 26.738 2.389 0.690 0.838 0.917 0.667 CB 1.558 13 residues pruned to eliminate duplicates Z: 24 33.644 2.273 0.915 0.624 0.957 0.391 CB 1.499 24 residues pruned to eliminate duplicates Z: 22 32.329 2.387 0.859 0.666 0.857 0.619 CB 1.590 22 residues pruned to eliminate duplicates Z: 22 40.381 2.442 0.979 0.706 0.905 0.571 CB 1.672 23 residues pruned to eliminate duplicates Z: 14 39.783 2.307 1.177 0.927 1.000 0.615 CB 1.541 13 residues pruned to eliminate duplicates Z: 6 5.877 1.631 0.783 0.384 0.800 0.400 CA 1.277 6 residues pruned to eliminate duplicates Z: 22 19.401 2.018 0.783 0.447 0.905 0.571 CB 1.373 22 residues pruned to eliminate duplicates Z: 22 15.913 2.008 0.693 0.396 0.857 0.429 CB 1.330 22 residues pruned to eliminate duplicates Z: 66 55.585 2.222 1.027 0.629 0.908 0.600 CB 1.494 67 residues pruned to eliminate duplicates Z: 6 4.038 1.625 0.309 0.531 0.600 0.400 O 1.372 6 residues pruned to eliminate duplicates Z: 70 53.118 2.226 0.948 0.607 0.899 0.565 CB 1.482 70 residues pruned to eliminate duplicates Z: 67 55.724 2.227 1.024 0.638 0.894 0.591 CB 1.496 68 residues pruned to eliminate duplicates Z: 6 6.491 1.894 0.538 0.413 0.800 0.400 CB 1.364 6 residues pruned to eliminate duplicates Z: 68 55.247 2.231 0.928 0.630 0.925 0.612 CB 1.501 68 residues pruned to eliminate duplicates Z: 56 52.464 2.246 0.961 0.641 0.909 0.636 CB 1.548 55 residues pruned to eliminate duplicates Z: 6 5.255 1.872 0.774 0.386 0.600 0.600 N 1.331 6 residues pruned to eliminate duplicates Z: 70 55.643 2.218 0.955 0.607 0.928 0.594 CB 1.504 70 residues pruned to eliminate duplicates Z: 69 50.912 2.224 0.951 0.602 0.868 0.618 CB 1.487 69 residues pruned to eliminate duplicates Z: 67 53.703 2.222 0.998 0.609 0.894 0.576 CB 1.501 67 residues pruned to eliminate duplicates Z: 35 51.751 2.374 0.975 0.774 0.941 0.559 CB 1.579 35 residues pruned to eliminate duplicates Z: 70 49.825 2.215 0.939 0.595 0.884 0.580 CB 1.444 70 residues pruned to eliminate duplicates Z: 36 51.649 2.382 1.001 0.750 0.914 0.600 CB 1.602 36 residues pruned to eliminate duplicates Z: 51 55.863 2.286 1.064 0.675 0.920 0.640 CB 1.549 51 residues pruned to eliminate duplicates Z: 71 55.680 2.209 1.034 0.584 0.929 0.657 CB 1.471 71 residues pruned to eliminate duplicates Z: 34 59.671 2.356 1.196 0.794 0.970 0.788 CB 1.600 34 residues pruned to eliminate duplicates Z: 66 60.197 2.243 1.061 0.627 0.954 0.585 CB 1.503 67 residues pruned to eliminate duplicates Z: 27 61.590 2.362 1.217 0.880 1.000 0.808 CB 1.672 27 residues pruned to eliminate duplicates Z: 71 51.492 2.200 1.056 0.568 0.886 0.643 CB 1.438 71 residues pruned to eliminate duplicates Z: 38 51.608 2.330 1.088 0.751 0.919 0.676 CB 1.517 38 residues pruned to eliminate duplicates Z: 66 54.840 2.217 0.989 0.600 0.938 0.631 CB 1.495 66 residues pruned to eliminate duplicates Z: 34 54.696 2.353 1.200 0.735 0.939 0.727 CB 1.585 34 residues pruned to eliminate duplicates Z: 52 50.739 2.277 0.977 0.645 0.922 0.608 CB 1.495 52 residues pruned to eliminate duplicates Z: 48 56.896 2.269 1.222 0.705 0.894 0.638 CB 1.528 48 residues pruned to eliminate duplicates Z: 71 54.820 2.201 0.995 0.607 0.914 0.714 CB 1.474 71 residues pruned to eliminate duplicates Z: 49 60.278 2.287 1.066 0.702 0.958 0.625 CB 1.598 49 residues pruned to eliminate duplicates Z: 51 56.209 2.285 1.076 0.648 0.920 0.700 CB 1.587 51 residues pruned to eliminate duplicates Z: 53 54.382 2.216 1.035 0.676 0.904 0.538 CB 1.574 53 residues pruned to eliminate duplicates Z: 50 55.416 2.259 1.101 0.709 0.918 0.571 CB 1.502 50 residues pruned to eliminate duplicates Z: 50 53.540 2.278 1.145 0.658 0.898 0.592 CB 1.505 50 residues pruned to eliminate duplicates Z: 51 55.198 2.288 1.008 0.663 0.920 0.580 CB 1.588 51 residues pruned to eliminate duplicates Z: 52 50.013 2.217 1.041 0.663 0.882 0.588 CB 1.507 52 residues pruned to eliminate duplicates Z: 52 54.603 2.275 1.009 0.671 0.922 0.686 CB 1.550 52 residues pruned to eliminate duplicates Z: 50 56.940 2.303 1.112 0.675 0.918 0.592 CB 1.550 50 residues pruned to eliminate duplicates Z: 50 54.644 2.287 1.012 0.686 0.898 0.633 CB 1.592 50 residues pruned to eliminate duplicates Z: 70 58.395 2.216 1.037 0.598 0.928 0.580 CB 1.529 70 residues pruned to eliminate duplicates Z: 50 56.910 2.306 1.165 0.655 0.918 0.673 CB 1.535 50 residues pruned to eliminate duplicates Z: 51 55.687 2.248 1.141 0.641 0.900 0.520 CB 1.594 51 residues pruned to eliminate duplicates Z: 52 57.164 2.295 1.103 0.647 0.941 0.667 CB 1.536 52 residues pruned to eliminate duplicates Z: 53 51.282 2.219 1.096 0.631 0.865 0.462 CB 1.562 53 residues pruned to eliminate duplicates Z: 54 50.726 2.224 1.130 0.645 0.887 0.585 CB 1.448 54 residues pruned to eliminate duplicates Z: 51 59.132 2.255 1.147 0.686 0.940 0.660 CB 1.550 51 residues pruned to eliminate duplicates Z: 56 53.066 2.216 1.030 0.597 0.909 0.545 CB 1.595 56 residues pruned to eliminate duplicates Z: 69 57.518 2.225 0.973 0.618 0.912 0.676 CB 1.559 69 residues pruned to eliminate duplicates Z: 49 58.787 2.281 1.211 0.689 0.896 0.667 CB 1.580 49 residues pruned to eliminate duplicates Z: 17 18.219 2.039 1.004 0.530 0.812 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 53 48.903 2.243 1.033 0.626 0.885 0.558 CB 1.493 53 residues pruned to eliminate duplicates Z: 49 55.448 2.305 1.119 0.681 0.896 0.625 CB 1.548 49 residues pruned to eliminate duplicates Z: 70 55.936 2.223 1.013 0.592 0.928 0.609 CB 1.486 70 residues pruned to eliminate duplicates Z: 50 57.268 2.299 1.071 0.668 0.918 0.592 CB 1.602 50 residues pruned to eliminate duplicates Z: 68 51.222 2.230 0.939 0.592 0.896 0.657 CB 1.480 68 residues pruned to eliminate duplicates Z: 52 55.796 2.283 1.134 0.658 0.922 0.529 CB 1.503 52 residues pruned to eliminate duplicates Z: 67 61.060 2.257 1.030 0.637 0.924 0.591 CB 1.560 69 residues pruned to eliminate duplicates Z: 6 3.328 1.679 1.151 0.287 0.600 0.400 CB 0.872 Z: 6 3.839 1.627 0.853 0.314 0.800 0.800 CA 0.875 Z: 7 10.474 1.703 0.954 0.507 1.000 0.667 N 1.277 13 residues pruned to eliminate duplicates Z: 22 18.272 2.142 0.925 0.498 0.762 0.524 CB 1.271 28 residues pruned to eliminate duplicates Z: 20 28.871 2.176 1.147 0.606 0.895 0.632 CB 1.433 20 residues pruned to eliminate duplicates Z: 21 24.978 2.122 1.170 0.594 0.850 0.600 CB 1.305 21 residues pruned to eliminate duplicates Z: 25 23.634 2.160 0.880 0.488 0.875 0.542 CB 1.373 25 residues pruned to eliminate duplicates Z: 21 23.671 2.101 1.029 0.581 0.900 0.400 CB 1.277 21 residues pruned to eliminate duplicates Z: 48 34.743 2.133 0.784 0.615 0.872 0.553 CB 1.369 48 residues pruned to eliminate duplicates Z: 20 26.836 2.236 1.071 0.585 0.895 0.684 CB 1.369 20 residues pruned to eliminate duplicates Z: 20 25.823 2.222 0.970 0.567 0.895 0.684 CB 1.418 20 residues pruned to eliminate duplicates Z: 22 18.336 2.084 1.130 0.499 0.762 0.476 CB 1.185 22 residues pruned to eliminate duplicates Z: 23 20.453 2.198 1.023 0.514 0.773 0.455 CB 1.251 23 residues pruned to eliminate duplicates Z: 47 32.032 2.174 0.815 0.526 0.826 0.522 CB 1.413 47 residues pruned to eliminate duplicates Z: 11 11.542 2.088 0.583 0.411 0.800 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 22 19.617 2.181 0.773 0.428 0.762 0.476 CB 1.566 22 residues pruned to eliminate duplicates Z: 83 56.799 2.266 0.999 0.573 0.866 0.500 CB 1.490 83 residues pruned to eliminate duplicates Z: 32 27.445 2.193 0.680 0.542 0.839 0.387 CB 1.531 32 residues pruned to eliminate duplicates Z: 30 20.227 2.111 0.729 0.428 0.828 0.379 CB 1.340 30 residues pruned to eliminate duplicates Z: 33 25.222 2.041 0.738 0.557 0.875 0.344 CB 1.358 34 residues pruned to eliminate duplicates Z: 6 4.256 1.433 0.687 0.564 0.800 0.200 CA 0.925 6 residues pruned to eliminate duplicates Z: 36 27.050 2.198 0.912 0.457 0.771 0.514 CB 1.474 36 residues pruned to eliminate duplicates Z: 24 24.628 2.236 0.931 0.371 0.913 0.217 CB 1.496 24 residues pruned to eliminate duplicates Z: 23 26.859 2.191 0.733 0.605 0.864 0.409 CB 1.580 23 residues pruned to eliminate duplicates Z: 35 33.369 2.130 0.778 0.600 0.912 0.588 CB 1.507 35 residues pruned to eliminate duplicates Z: 23 24.094 2.159 0.629 0.633 0.818 0.500 CA 1.575 23 residues pruned to eliminate duplicates Z: 49 33.072 2.111 0.880 0.515 0.833 0.542 CB 1.422 49 residues pruned to eliminate duplicates Z: 6 4.668 1.772 0.932 0.249 0.800 0.400 CA 1.018 6 residues pruned to eliminate duplicates Z: 25 29.757 2.042 0.840 0.720 0.875 0.625 CA 1.514 24 residues pruned to eliminate duplicates Z: 16 18.278 1.921 0.533 0.798 0.933 0.467 CB 1.323 16 residues pruned to eliminate duplicates Z: 33 23.925 2.079 0.595 0.532 0.812 0.406 CB 1.520 33 residues pruned to eliminate duplicates Z: 27 30.811 2.098 0.854 0.621 0.885 0.500 CB 1.567 27 residues pruned to eliminate duplicates Z: 33 34.474 2.146 0.861 0.600 0.938 0.500 CB 1.480 34 residues pruned to eliminate duplicates Z: 14 17.403 1.854 0.514 0.828 1.000 0.538 CB 1.295 14 residues pruned to eliminate duplicates Z: 25 16.179 1.851 0.468 0.601 0.833 0.542 CB 1.325 25 residues pruned to eliminate duplicates Z: 31 29.594 2.177 0.725 0.527 0.900 0.500 CB 1.556 31 residues pruned to eliminate duplicates Z: 47 39.454 2.149 0.985 0.583 0.891 0.500 CB 1.414 47 residues pruned to eliminate duplicates Z: 26 16.643 1.995 0.576 0.498 0.760 0.440 CB 1.395 26 residues pruned to eliminate duplicates Z: 22 29.327 2.164 0.577 0.721 0.952 0.429 CA 1.613 22 residues pruned to eliminate duplicates Z: 25 28.374 2.066 0.784 0.633 0.917 0.417 CA 1.513 25 residues pruned to eliminate duplicates Z: 34 29.154 2.083 0.703 0.581 0.879 0.394 CB 1.506 34 residues pruned to eliminate duplicates Z: 12 21.487 1.944 0.803 0.924 0.909 0.455 CA 1.428 12 residues pruned to eliminate duplicates Z: 14 20.923 1.850 0.727 0.907 0.923 0.385 CA 1.399 13 residues pruned to eliminate duplicates Z: 15 22.681 1.898 0.714 0.895 0.929 0.500 CA 1.437 15 residues pruned to eliminate duplicates Z: 6 7.151 1.859 0.683 0.433 0.800 0.800 CA 1.370 6 residues pruned to eliminate duplicates Z: 7 5.842 1.671 0.585 0.374 0.833 0.667 N 1.237 7 residues pruned to eliminate duplicates Z: 59 43.827 2.128 0.717 0.630 0.931 0.690 CB 1.498 59 residues pruned to eliminate duplicates Z: 53 50.294 2.201 0.860 0.647 0.923 0.654 CB 1.609 53 residues pruned to eliminate duplicates Z: 53 54.015 2.231 0.897 0.686 0.962 0.712 CB 1.552 53 residues pruned to eliminate duplicates Z: 49 52.240 2.243 0.912 0.717 0.938 0.667 CB 1.541 49 residues pruned to eliminate duplicates Z: 58 49.231 2.179 0.899 0.644 0.912 0.649 CB 1.510 58 residues pruned to eliminate duplicates Z: 66 46.438 2.125 0.868 0.630 0.892 0.662 CB 1.439 66 residues pruned to eliminate duplicates Z: 17 13.817 1.987 0.813 0.364 0.938 0.688 CB 1.183 17 residues pruned to eliminate duplicates Z: 50 58.742 2.254 1.064 0.681 0.939 0.735 CB 1.628 50 residues pruned to eliminate duplicates Z: 59 51.953 2.150 1.042 0.658 0.897 0.741 CB 1.497 59 residues pruned to eliminate duplicates Z: 56 59.450 2.224 0.998 0.671 0.945 0.782 CB 1.629 56 residues pruned to eliminate duplicates Z: 25 52.727 2.205 1.108 0.942 1.000 0.792 CB 1.606 25 residues pruned to eliminate duplicates Z: 65 53.961 2.188 0.975 0.618 0.891 0.656 CB 1.567 65 residues pruned to eliminate duplicates Z: 61 51.268 2.210 0.887 0.646 0.883 0.717 CB 1.568 61 residues pruned to eliminate duplicates Z: 59 47.559 2.148 0.838 0.628 0.897 0.638 CB 1.564 59 residues pruned to eliminate duplicates Z: 58 48.231 2.223 0.947 0.611 0.860 0.632 CB 1.546 58 residues pruned to eliminate duplicates Z: 49 56.392 2.237 1.080 0.703 0.938 0.667 CB 1.552 49 residues pruned to eliminate duplicates Z: 38 49.336 2.224 1.004 0.725 1.000 0.757 CB 1.485 38 residues pruned to eliminate duplicates Z: 66 49.748 2.179 0.843 0.596 0.892 0.692 CB 1.570 66 residues pruned to eliminate duplicates Z: 51 51.607 2.229 1.013 0.673 0.900 0.660 CB 1.541 51 residues pruned to eliminate duplicates Z: 71 54.415 2.216 0.849 0.617 0.900 0.700 CB 1.579 71 residues pruned to eliminate duplicates Z: 57 51.195 2.194 0.934 0.657 0.929 0.696 CB 1.500 57 residues pruned to eliminate duplicates Z: 53 57.182 2.196 1.108 0.655 0.942 0.635 CB 1.574 53 residues pruned to eliminate duplicates Z: 59 55.190 2.252 0.936 0.660 0.897 0.690 CB 1.599 59 residues pruned to eliminate duplicates Z: 54 51.169 2.187 0.903 0.661 0.943 0.623 CB 1.542 54 residues pruned to eliminate duplicates Z: 49 59.521 2.264 1.063 0.693 0.938 0.646 CB 1.645 49 residues pruned to eliminate duplicates Z: 59 49.572 2.139 0.862 0.636 0.914 0.603 CB 1.574 59 residues pruned to eliminate duplicates Z: 63 43.681 2.103 0.847 0.574 0.919 0.532 CB 1.446 63 residues pruned to eliminate duplicates Z: 57 54.548 2.207 0.942 0.642 0.946 0.714 CB 1.573 57 residues pruned to eliminate duplicates Z: 68 41.141 2.119 0.878 0.580 0.851 0.597 CB 1.375 68 residues pruned to eliminate duplicates Z: 54 50.175 2.194 0.961 0.669 0.887 0.642 CB 1.545 54 residues pruned to eliminate duplicates Z: 78 52.013 2.174 0.868 0.592 0.883 0.597 CB 1.514 78 residues pruned to eliminate duplicates Z: 62 46.466 2.131 0.871 0.663 0.885 0.623 CB 1.450 62 residues pruned to eliminate duplicates Z: 49 58.266 2.234 1.043 0.710 0.917 0.604 CB 1.662 49 residues pruned to eliminate duplicates Z: 59 52.417 2.156 0.923 0.624 0.948 0.690 CB 1.557 59 residues pruned to eliminate duplicates Z: 20 22.135 2.170 0.769 0.471 0.895 0.632 CB 1.522 20 residues pruned to eliminate duplicates Z: 56 47.129 2.170 0.896 0.626 0.909 0.618 CB 1.508 56 residues pruned to eliminate duplicates Z: 71 54.235 2.203 0.962 0.610 0.886 0.514 CB 1.525 71 residues pruned to eliminate duplicates Z: 25 14.263 1.954 0.667 0.365 0.792 0.542 CB 1.305 25 residues pruned to eliminate duplicates Z: 80 49.845 2.176 0.825 0.567 0.873 0.582 CB 1.516 80 residues pruned to eliminate duplicates Z: 100 64.662 2.208 0.832 0.611 0.909 0.576 CB 1.591 100 residues pruned to eliminate duplicates Z: 51 54.431 2.229 1.038 0.681 0.900 0.520 CB 1.594 51 residues pruned to eliminate duplicates Z: 77 47.629 2.157 0.787 0.589 0.908 0.566 CB 1.434 77 residues pruned to eliminate duplicates Z: 53 56.030 2.216 0.988 0.669 0.942 0.712 CB 1.600 53 residues pruned to eliminate duplicates Z: 51 52.880 2.221 1.095 0.682 0.900 0.580 CB 1.511 51 residues pruned to eliminate duplicates Z: 57 53.912 2.236 1.008 0.642 0.911 0.643 CB 1.542 57 residues pruned to eliminate duplicates Z: 55 51.740 2.197 0.953 0.659 0.926 0.778 CB 1.528 55 residues pruned to eliminate duplicates Z: 7 4.940 1.770 0.077 0.340 0.833 0.667 CB 1.512 7 residues pruned to eliminate duplicates Z: 28 26.297 2.206 0.671 0.497 0.889 0.630 CB 1.550 28 residues pruned to eliminate duplicates Z: 66 52.866 2.195 0.873 0.629 0.908 0.692 CB 1.556 66 residues pruned to eliminate duplicates Z: 73 49.047 2.180 0.808 0.619 0.861 0.639 CB 1.522 73 residues pruned to eliminate duplicates Z: 12 17.214 2.206 0.740 0.545 0.818 0.636 CB 1.581 12 residues pruned to eliminate duplicates Z: 14 12.401 2.032 0.674 0.509 0.692 0.538 CB 1.448 14 residues pruned to eliminate duplicates Z: 57 54.916 2.244 1.013 0.683 0.893 0.571 CB 1.538 57 residues pruned to eliminate duplicates Z: 65 58.152 2.208 1.012 0.652 0.906 0.625 CB 1.568 65 residues pruned to eliminate duplicates Z: 12 13.304 2.213 0.536 0.538 0.727 0.727 CB 1.564 12 residues pruned to eliminate duplicates Z: 25 18.213 2.103 0.604 0.431 0.792 0.625 CB 1.496 25 residues pruned to eliminate duplicates Z: 39 25.350 2.008 0.649 0.569 0.868 0.553 CB 1.338 39 residues pruned to eliminate duplicates Z: 50 33.074 2.105 0.609 0.572 0.857 0.490 CB 1.519 50 residues pruned to eliminate duplicates Z: 42 27.770 2.114 0.544 0.554 0.854 0.537 CB 1.477 42 residues pruned to eliminate duplicates Z: 63 36.405 2.174 0.620 0.535 0.839 0.484 CB 1.513 63 residues pruned to eliminate duplicates Z: 75 54.676 2.190 1.021 0.626 0.851 0.541 CB 1.498 75 residues pruned to eliminate duplicates Z: 13 15.047 2.072 0.679 0.486 0.833 0.500 CB 1.520 13 residues pruned to eliminate duplicates Z: 13 14.751 2.004 0.709 0.480 0.917 0.500 CB 1.384 13 residues pruned to eliminate duplicates Z: 72 55.084 2.210 0.986 0.640 0.873 0.648 CB 1.497 72 residues pruned to eliminate duplicates Z: 51 36.747 2.122 0.654 0.545 0.940 0.540 CB 1.508 51 residues pruned to eliminate duplicates Z: 49 39.523 2.158 0.760 0.591 0.875 0.604 CB 1.573 49 residues pruned to eliminate duplicates Z: 23 21.632 2.153 0.664 0.519 0.818 0.545 CB 1.544 23 residues pruned to eliminate duplicates Z: 38 30.100 2.082 0.719 0.573 0.865 0.541 CB 1.490 38 residues pruned to eliminate duplicates Z: 50 38.306 2.127 0.863 0.585 0.857 0.449 CB 1.485 50 residues pruned to eliminate duplicates Z: 38 35.325 2.110 0.670 0.600 0.973 0.432 CB 1.541 38 residues pruned to eliminate duplicates Z: 50 28.801 2.097 0.709 0.459 0.837 0.388 CB 1.430 50 residues pruned to eliminate duplicates Z: 38 35.111 2.208 0.785 0.584 0.919 0.514 CB 1.471 38 residues pruned to eliminate duplicates Z: 48 38.695 2.170 0.759 0.590 0.894 0.489 CB 1.519 48 residues pruned to eliminate duplicates Z: 28 26.742 2.090 0.634 0.589 0.926 0.481 CB 1.494 28 residues pruned to eliminate duplicates Z: 36 34.262 2.189 0.671 0.579 0.914 0.457 CB 1.605 36 residues pruned to eliminate duplicates Z: 27 25.568 2.086 0.621 0.606 0.846 0.462 CB 1.584 27 residues pruned to eliminate duplicates Z: 27 25.992 2.078 0.526 0.619 0.923 0.423 CA 1.556 27 residues pruned to eliminate duplicates Z: 26 29.971 2.109 0.679 0.637 0.960 0.400 CB 1.551 26 residues pruned to eliminate duplicates Z: 6 4.532 1.730 0.318 0.267 0.800 0.600 CA 1.450 6 residues pruned to eliminate duplicates Z: 27 27.684 2.129 0.752 0.603 0.846 0.423 CB 1.559 27 residues pruned to eliminate duplicates Z: 28 31.192 2.126 0.862 0.595 0.926 0.444 CB 1.496 28 residues pruned to eliminate duplicates Z: 16 23.201 2.070 0.603 0.732 1.000 0.467 CA 1.466 16 residues pruned to eliminate duplicates Z: 26 30.619 2.115 0.673 0.661 0.960 0.440 CA 1.552 26 residues pruned to eliminate duplicates Z: 16 24.104 1.934 0.766 0.817 1.000 0.467 CA 1.383 16 residues pruned to eliminate duplicates Z: 37 33.073 2.122 0.789 0.619 0.861 0.528 CB 1.507 37 residues pruned to eliminate duplicates Z: 25 34.048 2.169 0.759 0.611 1.000 0.542 CA 1.639 25 residues pruned to eliminate duplicates Z: 27 26.324 2.094 0.626 0.599 0.885 0.346 CA 1.560 27 residues pruned to eliminate duplicates Z: 29 25.009 2.056 0.540 0.584 0.929 0.321 CB 1.483 29 residues pruned to eliminate duplicates Z: 28 28.055 2.066 0.647 0.588 0.926 0.296 CA 1.576 28 residues pruned to eliminate duplicates Z: 26 32.243 2.122 0.738 0.657 0.960 0.480 CA 1.574 26 residues pruned to eliminate duplicates Z: 24 33.216 2.213 0.734 0.673 1.000 0.391 CB 1.539 24 residues pruned to eliminate duplicates Z: 27 25.522 2.071 0.691 0.601 0.846 0.231 CA 1.534 27 residues pruned to eliminate duplicates Z: 26 29.471 2.123 0.623 0.627 0.960 0.400 CB 1.581 26 residues pruned to eliminate duplicates Z: 16 23.516 1.920 0.734 0.849 1.000 0.667 CA 1.352 15 residues pruned to eliminate duplicates Z: 16 20.830 1.933 0.774 0.871 0.867 0.533 CA 1.320 16 residues pruned to eliminate duplicates Z: 16 25.757 1.909 1.037 0.841 1.000 0.600 CA 1.275 16 residues pruned to eliminate duplicates Z: 54 43.770 2.100 0.864 0.684 0.906 0.679 CB 1.432 Z: 7 5.914 1.636 0.466 0.429 0.833 0.500 CA 1.300 7 residues pruned to eliminate duplicates Z: 40 44.044 2.187 0.859 0.729 0.974 0.744 CB 1.448 40 residues pruned to eliminate duplicates 6 1.251 1.713 0.604 0.168 0.800 0.200 CB 0.381 ? Z: 8 7.432 1.981 0.498 0.352 1.000 0.429 CB 1.111 8 residues pruned to eliminate duplicates Z: 53 48.052 2.115 0.992 0.671 0.981 0.712 CB 1.376 54 residues pruned to eliminate duplicates Z: 6 8.774 1.682 1.029 0.345 1.000 0.600 C 1.361 6 residues pruned to eliminate duplicates Z: 54 42.011 2.091 0.897 0.664 0.943 0.698 CB 1.324 54 residues pruned to eliminate duplicates Z: 48 43.773 2.132 0.885 0.691 0.936 0.660 CB 1.425 48 residues pruned to eliminate duplicates Z: 54 44.023 2.109 0.870 0.662 0.943 0.660 CB 1.399 54 residues pruned to eliminate duplicates Z: 48 45.627 2.155 0.968 0.679 0.957 0.723 CB 1.390 48 residues pruned to eliminate duplicates Z: 25 41.990 2.173 0.874 0.934 1.000 0.708 CB 1.468 25 residues pruned to eliminate duplicates Z: 53 45.859 2.126 0.900 0.651 0.962 0.654 CB 1.423 53 residues pruned to eliminate duplicates Z: 53 43.327 2.135 0.924 0.639 0.923 0.692 CB 1.392 53 residues pruned to eliminate duplicates Z: 33 39.873 2.221 1.102 0.730 0.875 0.656 CB 1.402 33 residues pruned to eliminate duplicates Z: 42 41.591 2.152 0.985 0.716 0.927 0.756 CB 1.349 42 residues pruned to eliminate duplicates Z: 53 44.953 2.129 0.881 0.659 0.962 0.654 CB 1.397 63 residues pruned to eliminate duplicates Z: 26 46.353 2.158 1.144 0.916 1.000 0.800 CB 1.415 26 residues pruned to eliminate duplicates Z: 54 43.941 2.118 0.911 0.639 0.925 0.528 CB 1.416 54 residues pruned to eliminate duplicates Z: 45 45.605 2.102 1.003 0.727 0.909 0.659 CB 1.464 45 residues pruned to eliminate duplicates Z: 54 46.047 2.117 0.924 0.648 0.962 0.717 CB 1.406 54 residues pruned to eliminate duplicates Z: 37 42.802 2.187 1.161 0.729 0.917 0.694 CB 1.340 37 residues pruned to eliminate duplicates Z: 30 49.473 2.207 1.141 0.831 0.966 0.828 CB 1.512 30 residues pruned to eliminate duplicates Z: 54 42.508 2.118 0.873 0.615 0.943 0.623 CB 1.400 54 residues pruned to eliminate duplicates Z: 61 46.169 2.111 0.866 0.639 0.933 0.717 CB 1.424 52 residues pruned to eliminate duplicates Z: 26 39.479 2.144 0.834 0.909 1.000 0.880 CB 1.425 26 residues pruned to eliminate duplicates Z: 65 39.221 2.070 0.769 0.574 0.922 0.672 CB 1.353 65 residues pruned to eliminate duplicates Z: 55 44.532 2.107 0.904 0.646 0.944 0.667 CB 1.396 55 residues pruned to eliminate duplicates Z: 44 46.779 2.110 1.020 0.760 0.930 0.721 CB 1.427 44 residues pruned to eliminate duplicates Z: 38 40.832 2.164 0.962 0.723 0.946 0.784 CB 1.367 38 residues pruned to eliminate duplicates Z: 42 43.774 2.164 0.973 0.696 0.976 0.756 CB 1.373 42 residues pruned to eliminate duplicates Z: 53 43.317 2.123 0.855 0.647 0.942 0.731 CB 1.411 52 residues pruned to eliminate duplicates Z: 26 46.444 2.143 1.088 0.922 1.000 0.880 CB 1.459 26 residues pruned to eliminate duplicates Z: 54 41.008 2.100 0.871 0.636 0.943 0.642 CB 1.337 54 residues pruned to eliminate duplicates Z: 53 45.991 2.114 1.047 0.678 0.923 0.654 CB 1.356 54 residues pruned to eliminate duplicates Z: 6 4.348 1.671 0.633 0.352 0.800 0.400 CA 1.045 6 residues pruned to eliminate duplicates Z: 46 44.861 2.082 0.982 0.697 0.933 0.667 CB 1.450 46 residues pruned to eliminate duplicates Z: 58 43.923 2.107 0.922 0.623 0.930 0.649 CB 1.375 58 residues pruned to eliminate duplicates Z: 14 13.385 1.883 0.871 0.475 0.846 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 53 48.704 2.131 0.967 0.671 0.942 0.692 CB 1.460 53 residues pruned to eliminate duplicates Z: 57 40.411 2.078 0.864 0.610 0.911 0.589 CB 1.379 57 residues pruned to eliminate duplicates Z: 61 45.802 2.098 0.964 0.616 0.900 0.550 CB 1.429 61 residues pruned to eliminate duplicates Z: 60 46.252 2.131 0.983 0.621 0.915 0.559 CB 1.389 60 residues pruned to eliminate duplicates Z: 34 21.999 1.971 0.525 0.511 0.818 0.545 CA 1.540 12 residues pruned to eliminate duplicates Z: 6 7.421 1.747 0.643 0.485 1.000 1.000 CA 1.174 6 residues pruned to eliminate duplicates Z: 10 16.129 2.010 0.747 0.547 0.889 0.667 CB 1.646 10 residues pruned to eliminate duplicates Z: 10 11.708 2.075 0.638 0.580 0.667 0.444 CB 1.595 10 residues pruned to eliminate duplicates Z: 9 15.088 1.999 0.821 0.503 0.875 0.625 CB 1.670 9 residues pruned to eliminate duplicates Z: 21 24.822 2.129 0.879 0.491 0.800 0.550 CA 1.750 21 residues pruned to eliminate duplicates Z: 41 33.649 2.171 0.756 0.548 0.750 0.500 CB 1.775 41 residues pruned to eliminate duplicates Z: 35 33.160 2.208 0.571 0.582 0.882 0.706 CA 1.718 35 residues pruned to eliminate duplicates Z: 6 4.960 1.972 0.569 0.286 0.800 0.600 CA 1.140 Z: 6 4.101 1.777 0.268 0.286 0.800 0.400 CA 1.295 5 residues pruned to eliminate duplicates Z: 6 5.251 1.512 0.784 0.414 0.800 0.600 C 1.191 6 residues pruned to eliminate duplicates Z: 6 3.229 1.585 0.044 0.336 0.800 0.400 N 1.305 Z: 6 2.700 1.409 0.733 0.443 0.800 0.400 N 0.656 Z: 6 6.697 1.674 0.511 0.477 1.000 0.000 CB 1.212 Z: 17 22.555 1.969 0.767 0.785 0.875 0.562 CB 1.442 14 residues pruned to eliminate duplicates Z: 15 18.312 1.969 0.664 0.730 0.929 0.857 CA 1.307 15 residues pruned to eliminate duplicates Z: 35 36.912 2.210 0.759 0.568 0.882 0.559 CB 1.728 60 residues pruned to eliminate duplicates Z: 17 24.810 2.120 0.809 0.611 0.875 0.562 CA 1.665 17 residues pruned to eliminate duplicates Z: 36 34.508 2.155 0.757 0.533 0.914 0.486 CB 1.631 36 residues pruned to eliminate duplicates Z: 16 26.120 2.175 0.733 0.674 0.867 0.533 CA 1.758 16 residues pruned to eliminate duplicates Z: 16 24.269 2.198 0.690 0.683 0.800 0.533 CA 1.783 16 residues pruned to eliminate duplicates Z: 35 36.711 2.202 0.693 0.580 0.882 0.500 CA 1.772 35 residues pruned to eliminate duplicates Z: 26 28.229 2.066 0.713 0.711 0.920 0.480 CB 1.432 26 residues pruned to eliminate duplicates Z: 15 27.233 1.950 0.935 0.877 0.929 0.357 CA 1.509 15 residues pruned to eliminate duplicates Z: 16 20.691 1.875 0.847 0.879 0.800 0.400 CA 1.399 16 residues pruned to eliminate duplicates Z: 15 28.643 1.947 1.029 0.885 0.929 0.286 CA 1.506 15 residues pruned to eliminate duplicates Z: 17 24.030 1.884 0.832 0.884 0.938 0.500 CA 1.342 16 residues pruned to eliminate duplicates Z: 17 25.578 1.844 0.822 0.882 1.000 0.250 CA 1.378 17 residues pruned to eliminate duplicates Z: 17 26.661 1.847 0.960 0.895 0.938 0.312 CA 1.408 17 residues pruned to eliminate duplicates 434 residues left after pruning, divided into chains as follows: A: 16 B: 9 C: 13 D: 98 E: 76 F: 35 G: 102 H: 65 I: 20 CC for partial structure against native data = 40.57 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.487, Connect. = 0.715 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.744 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.678, Connect. = 0.777 for dens.mod. cycle 4 = 0.300, Contrast = 0.691, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.695, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.700, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.702, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.704, Connect. = 0.784 for dens.mod. cycle 9 = 0.300, Contrast = 0.704, Connect. = 0.784 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.15 - 3.28 - 2.86 - 2.59 - 2.41 - 2.26 - 2.15 - 2.05 - 1.97 - 1.90 0.747 0.742 0.730 0.708 0.680 0.724 0.733 0.714 0.667 0.621 0.897 0.899 0.898 0.868 0.829 0.871 0.888 0.860 0.804 0.747 N 4835 4824 4840 4954 4633 5106 4642 5171 4931 4198 Estimated mean FOM = 0.708 Pseudo-free CC = 72.68 % Best trace (cycle 3 with CC 43.30%) was saved as ./2it9-1.9-parrot-noncs/2it9-1.9-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 4.5 - FFTs and peak-searches 10.6 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 874.5 - Tripeptide search 9000.9 - Chain tracing 0.0 - NCS analysis 30.7 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 02:23:59 Total time: 9922.09 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 166.14 Used memory is bytes: 15844568