null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:22:12 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: ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.ins Phases from ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.phi Native data from ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.hkl Listing output to ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.lst Phases output to ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.phs Poly-Ala trace output to ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 56225 Reflections read from file ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.phi 56225 Reflections read from file ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.hkl 56225 Unique data, highest resolution = 1.750 Angstroms Anisotropic scaling: intensities multiplied by 0.000240h^2 -0.000081k^2 -0.000010l^2 +0.000000kl +0.000000hl +0.000000hk 283 Reflections with d > 1.950 and 0 in range 1.950 > d > 1.750 added Density sharpening factor set to 1.12 Fourier grid = 128 x 128 x 57 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|> = 0.678 = 0.300, Contrast = 0.299, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.375, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.473, Connect. = 0.733 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.562, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.575, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.586, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.594, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.600, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3395 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 661 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 14.710 2.115 0.636 0.452 0.917 0.583 CB 1.407 B: 24 9.360 1.990 0.321 0.316 0.826 0.478 CB 1.102 C: 15 12.358 1.906 0.510 0.461 0.857 0.643 CB 1.392 D: 55 31.764 2.064 0.828 0.498 0.870 0.537 CB 1.319 14 residues pruned to eliminate duplicates E: 27 28.752 2.107 1.028 0.584 0.808 0.615 CB 1.507 28 residues pruned to eliminate duplicates F: 9 7.172 1.988 1.428 0.354 0.750 0.500 CB 0.820 G: 7 2.028 1.865 0.500 0.307 0.500 0.333 CB 0.733 7 residues pruned to eliminate duplicates H: 25 19.043 1.986 0.823 0.512 0.833 0.583 CB 1.273 9 residues pruned to eliminate duplicates I: 14 13.662 2.039 0.955 0.546 0.846 0.615 CB 1.074 14 residues pruned to eliminate duplicates J: 55 34.185 2.093 0.785 0.459 0.889 0.593 CB 1.462 K: 20 25.263 2.099 0.954 0.521 0.947 0.632 CB 1.461 20 residues pruned to eliminate duplicates L: 41 27.992 2.031 0.732 0.458 0.925 0.525 CB 1.419 41 residues pruned to eliminate duplicates M: 6 9.438 2.253 0.126 0.631 0.800 0.800 CA 1.838 6 residues pruned to eliminate duplicates N: 21 24.921 2.035 1.167 0.460 0.900 0.600 CA 1.463 O: 52 34.093 2.158 0.903 0.532 0.863 0.549 CB 1.306 54 residues pruned to eliminate duplicates P: 54 34.006 2.148 1.047 0.531 0.792 0.642 CB 1.300 54 residues pruned to eliminate duplicates Q: 11 10.883 1.851 0.427 0.831 1.000 0.600 CB 0.979 R: 8 9.922 1.843 0.568 0.597 0.857 0.714 CB 1.380 8 residues pruned to eliminate duplicates S: 20 13.966 1.900 0.794 0.418 0.842 0.421 CB 1.216 20 residues pruned to eliminate duplicates T: 13 13.546 2.139 1.018 0.405 0.667 0.500 CA 1.501 13 residues pruned to eliminate duplicates U: 9 15.460 2.145 0.680 0.903 1.000 0.750 CB 1.081 9 residues pruned to eliminate duplicates V: 13 9.511 2.022 0.522 0.399 0.833 0.667 CB 1.191 W: 12 7.994 2.027 0.673 0.378 0.727 0.364 CB 1.112 X: 30 16.015 2.012 0.678 0.419 0.897 0.621 CB 1.069 20 residues pruned to eliminate duplicates Y: 12 9.425 1.992 0.433 0.389 0.909 0.455 CB 1.232 13 residues pruned to eliminate duplicates Z: 20 11.497 1.820 0.914 0.468 0.789 0.579 CB 0.990 5 residues pruned to eliminate duplicates Z: 58 38.601 2.195 1.044 0.500 0.877 0.579 CB 1.299 58 residues pruned to eliminate duplicates Z: 18 17.358 2.025 0.731 0.463 0.882 0.529 CB 1.413 18 residues pruned to eliminate duplicates Z: 6 3.776 1.901 0.344 0.490 0.600 0.600 CB 1.112 Z: 33 27.626 2.133 0.958 0.490 0.906 0.531 CB 1.303 33 residues pruned to eliminate duplicates Z: 45 32.177 2.138 1.068 0.486 0.841 0.636 CB 1.323 45 residues pruned to eliminate duplicates Z: 10 13.192 2.054 1.003 0.790 0.667 0.556 CB 1.243 10 residues pruned to eliminate duplicates Z: 14 11.202 2.045 1.095 0.518 0.923 0.846 CB 0.771 4 residues pruned to eliminate duplicates Z: 8 17.854 1.933 1.057 0.735 0.857 0.714 CB 1.602 Z: 7 8.816 1.799 0.625 0.529 1.000 0.667 C 1.197 7 residues pruned to eliminate duplicates Z: 7 11.701 1.936 0.581 0.701 1.000 0.667 CB 1.299 Z: 21 19.075 1.770 0.808 0.520 0.950 0.500 CB 1.376 Z: 60 35.531 2.097 0.867 0.492 0.898 0.593 CB 1.326 55 residues pruned to eliminate duplicates Z: 57 36.726 2.163 0.987 0.496 0.911 0.571 CB 1.259 57 residues pruned to eliminate duplicates Z: 59 39.571 2.142 0.932 0.516 0.914 0.586 CB 1.353 59 residues pruned to eliminate duplicates Z: 11 8.026 1.873 0.667 0.523 0.800 0.300 CB 0.994 9 residues pruned to eliminate duplicates Z: 23 12.270 1.873 0.486 0.342 0.909 0.591 CB 1.228 19 residues pruned to eliminate duplicates Z: 13 8.652 1.946 0.818 0.334 0.750 0.500 CB 1.129 13 residues pruned to eliminate duplicates Z: 19 25.936 2.067 1.033 0.518 0.944 0.722 CB 1.513 14 residues pruned to eliminate duplicates Z: 43 31.366 2.123 1.021 0.504 0.833 0.595 CB 1.348 43 residues pruned to eliminate duplicates Z: 27 28.690 2.127 1.127 0.568 0.846 0.692 CB 1.377 27 residues pruned to eliminate duplicates Z: 28 27.389 2.121 0.837 0.508 0.852 0.593 CB 1.575 28 residues pruned to eliminate duplicates Z: 23 14.804 1.874 0.966 0.398 0.818 0.591 CA 1.166 23 residues pruned to eliminate duplicates Z: 15 13.292 1.961 0.939 0.548 0.786 0.500 CB 1.134 15 residues pruned to eliminate duplicates Z: 10 14.526 2.059 0.944 0.863 0.778 0.667 CB 1.141 11 residues pruned to eliminate duplicates Z: 55 31.257 2.099 0.741 0.462 0.870 0.574 CB 1.391 60 residues pruned to eliminate duplicates Z: 20 15.543 2.142 0.531 0.476 0.895 0.474 CB 1.245 20 residues pruned to eliminate duplicates Z: 22 16.145 1.978 0.666 0.464 0.810 0.524 CB 1.370 22 residues pruned to eliminate duplicates Z: 9 16.616 1.977 0.807 0.847 1.000 0.625 CB 1.221 Z: 21 13.092 1.920 0.660 0.384 0.850 0.400 CB 1.222 21 residues pruned to eliminate duplicates Z: 8 14.688 1.922 0.652 0.654 1.000 0.857 CB 1.515 8 residues pruned to eliminate duplicates Z: 13 7.657 1.986 0.399 0.431 0.750 0.583 CB 1.139 13 residues pruned to eliminate duplicates Z: 25 20.085 2.071 0.975 0.430 0.917 0.500 CB 1.177 25 residues pruned to eliminate duplicates Z: 23 12.870 1.870 0.722 0.381 0.818 0.591 CB 1.182 23 residues pruned to eliminate duplicates Z: 11 16.500 1.806 0.909 0.662 1.000 0.600 CB 1.303 7 residues pruned to eliminate duplicates Z: 14 9.524 1.735 0.552 0.453 0.846 0.692 CB 1.217 14 residues pruned to eliminate duplicates Z: 22 29.506 2.034 1.281 0.537 1.000 0.762 CB 1.338 19 residues pruned to eliminate duplicates Z: 14 24.336 1.955 0.926 0.705 0.923 0.692 CA 1.612 Z: 30 21.485 1.903 0.831 0.463 0.931 0.586 CB 1.277 15 residues pruned to eliminate duplicates Z: 13 8.038 1.712 0.649 0.445 0.667 0.500 CB 1.304 13 residues pruned to eliminate duplicates Z: 25 10.483 2.031 0.749 0.343 0.792 0.542 CB 0.903 25 residues pruned to eliminate duplicates Z: 12 24.901 2.078 1.128 0.679 0.909 0.818 CB 1.585 14 residues pruned to eliminate duplicates Z: 12 10.740 1.951 0.786 0.409 0.818 0.727 CA 1.250 12 residues pruned to eliminate duplicates Z: 25 32.220 2.175 1.140 0.603 0.917 0.667 CB 1.398 25 residues pruned to eliminate duplicates Z: 24 21.402 1.762 0.887 0.635 0.913 0.739 CB 1.295 21 residues pruned to eliminate duplicates Z: 17 16.512 1.844 1.163 0.446 0.938 0.688 CB 1.167 17 residues pruned to eliminate duplicates Z: 12 13.680 1.884 0.675 0.486 1.000 0.727 CB 1.326 Z: 20 23.337 2.079 0.725 0.561 0.947 0.789 CB 1.486 20 residues pruned to eliminate duplicates Z: 40 27.185 2.061 0.659 0.488 0.923 0.615 CA 1.396 40 residues pruned to eliminate duplicates Z: 9 5.295 2.052 0.388 0.423 0.625 0.625 CB 1.140 5 residues pruned to eliminate duplicates Z: 14 19.387 1.957 1.094 0.603 0.923 0.692 CB 1.289 14 residues pruned to eliminate duplicates Z: 19 20.880 2.062 1.041 0.485 0.944 0.667 CB 1.257 20 residues pruned to eliminate duplicates Z: 43 35.862 2.114 1.167 0.516 0.881 0.643 CB 1.350 43 residues pruned to eliminate duplicates Z: 24 15.435 1.889 0.668 0.482 0.870 0.609 CB 1.196 24 residues pruned to eliminate duplicates Z: 9 4.517 1.896 0.365 0.408 0.625 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 8 12.679 1.788 0.914 0.568 0.857 0.714 CB 1.529 7 residues pruned to eliminate duplicates Z: 11 7.726 2.030 0.506 0.361 0.700 0.400 CB 1.326 10 residues pruned to eliminate duplicates Z: 14 10.769 1.821 1.002 0.290 0.769 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 33 28.787 2.142 0.939 0.523 0.844 0.625 CB 1.419 33 residues pruned to eliminate duplicates Z: 12 12.872 1.797 0.664 0.795 0.818 0.636 CB 1.226 11 residues pruned to eliminate duplicates Z: 15 9.199 1.959 0.437 0.317 0.857 0.500 CA 1.247 15 residues pruned to eliminate duplicates Z: 12 22.974 2.058 1.076 0.711 0.909 0.818 CB 1.472 12 residues pruned to eliminate duplicates Z: 13 24.255 2.024 1.029 0.720 0.917 0.750 CB 1.525 12 residues pruned to eliminate duplicates Z: 45 22.209 1.874 0.781 0.429 0.886 0.568 CB 1.219 25 residues pruned to eliminate duplicates Z: 18 18.922 2.033 1.015 0.586 1.000 0.588 CB 1.031 18 residues pruned to eliminate duplicates Z: 27 16.601 1.915 0.649 0.436 0.808 0.615 CB 1.364 27 residues pruned to eliminate duplicates Z: 45 27.990 2.098 0.885 0.515 0.841 0.591 CB 1.250 45 residues pruned to eliminate duplicates Z: 11 5.523 1.857 0.685 0.206 0.700 0.400 CA 1.130 11 residues pruned to eliminate duplicates Z: 7 8.163 1.922 0.394 0.577 0.833 0.667 CA 1.386 7 residues pruned to eliminate duplicates Z: 19 17.350 2.068 0.976 0.423 0.889 0.667 CB 1.219 19 residues pruned to eliminate duplicates Z: 40 36.102 2.179 1.167 0.543 0.872 0.590 CB 1.346 40 residues pruned to eliminate duplicates Z: 11 23.804 2.063 1.402 0.641 0.900 0.700 CB 1.478 11 residues pruned to eliminate duplicates Z: 9 8.644 1.801 0.926 0.517 0.625 0.500 CB 1.386 Z: 61 34.349 2.036 0.793 0.510 0.900 0.600 CB 1.336 61 residues pruned to eliminate duplicates Z: 13 9.624 1.970 0.362 0.593 0.750 0.500 CB 1.263 13 residues pruned to eliminate duplicates Z: 22 20.492 1.711 0.932 0.560 0.905 0.571 CA 1.411 18 residues pruned to eliminate duplicates Z: 7 4.505 1.643 0.110 0.802 0.667 0.667 CA 1.162 7 residues pruned to eliminate duplicates Z: 11 10.272 1.885 0.522 0.753 0.800 0.600 CB 1.129 11 residues pruned to eliminate duplicates Z: 37 28.081 2.102 0.955 0.524 0.861 0.611 CB 1.291 37 residues pruned to eliminate duplicates Z: 17 12.223 1.891 0.430 0.601 0.812 0.625 CB 1.264 17 residues pruned to eliminate duplicates Z: 26 23.818 2.026 0.723 0.573 0.840 0.720 CB 1.513 26 residues pruned to eliminate duplicates Z: 8 8.434 1.615 0.976 0.451 0.857 0.571 CA 1.226 9 residues pruned to eliminate duplicates Z: 20 23.248 2.001 0.857 0.536 0.947 0.632 CB 1.462 20 residues pruned to eliminate duplicates Z: 19 17.488 2.035 0.886 0.482 0.944 0.611 CB 1.158 19 residues pruned to eliminate duplicates Z: 61 32.274 2.063 0.695 0.496 0.900 0.617 CB 1.330 61 residues pruned to eliminate duplicates Z: 52 35.188 1.980 1.052 0.557 0.882 0.627 CB 1.300 51 residues pruned to eliminate duplicates Z: 10 16.352 1.888 1.109 0.750 0.889 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 15 25.858 1.876 1.129 0.719 0.929 0.929 CB 1.528 15 residues pruned to eliminate duplicates Z: 20 18.589 2.106 1.065 0.436 0.842 0.474 CB 1.244 20 residues pruned to eliminate duplicates Z: 8 15.507 2.159 0.621 0.610 1.000 0.857 CB 1.509 8 residues pruned to eliminate duplicates Z: 50 36.374 2.186 1.009 0.540 0.898 0.551 CB 1.267 51 residues pruned to eliminate duplicates Z: 43 20.579 1.838 0.681 0.500 0.857 0.524 CB 1.199 12 residues pruned to eliminate duplicates Z: 41 23.336 2.001 0.649 0.402 0.950 0.425 CB 1.306 41 residues pruned to eliminate duplicates Z: 6 5.809 1.733 -0.040 0.830 1.000 0.600 CB 1.174 6 residues pruned to eliminate duplicates Z: 11 9.831 1.815 0.683 0.298 0.800 0.300 CA 1.594 11 residues pruned to eliminate duplicates Z: 10 8.641 2.014 0.618 0.339 0.778 0.333 CB 1.355 10 residues pruned to eliminate duplicates Z: 10 13.181 1.877 0.752 0.601 1.000 0.889 CB 1.213 10 residues pruned to eliminate duplicates Z: 16 30.157 1.901 1.023 0.761 1.000 0.733 CB 1.606 15 residues pruned to eliminate duplicates Z: 41 25.315 1.986 0.762 0.468 0.900 0.725 CB 1.312 84 residues pruned to eliminate duplicates Z: 12 4.407 1.442 0.193 0.577 0.818 0.636 CB 0.876 12 residues pruned to eliminate duplicates Z: 11 9.083 1.968 0.659 0.410 0.800 0.600 CB 1.209 Z: 10 11.356 1.782 0.691 0.663 1.000 0.889 CB 1.080 10 residues pruned to eliminate duplicates Z: 54 31.560 2.119 0.893 0.480 0.868 0.604 CB 1.271 54 residues pruned to eliminate duplicates Z: 8 10.416 1.898 0.342 0.779 1.000 0.857 CA 1.208 8 residues pruned to eliminate duplicates Z: 26 26.045 2.058 0.975 0.587 1.000 0.720 CB 1.179 26 residues pruned to eliminate duplicates Z: 10 8.721 1.597 0.723 0.677 0.889 0.889 CB 1.010 Z: 28 12.136 2.023 0.589 0.403 0.778 0.556 CB 1.035 20 residues pruned to eliminate duplicates Z: 10 16.108 1.906 1.094 0.886 0.889 0.444 CB 1.092 10 residues pruned to eliminate duplicates Z: 48 25.442 2.052 0.832 0.474 0.872 0.638 CB 1.161 48 residues pruned to eliminate duplicates Z: 56 23.485 1.998 0.601 0.401 0.818 0.527 CB 1.343 56 residues pruned to eliminate duplicates Z: 21 18.893 2.134 0.642 0.523 0.900 0.600 CB 1.309 21 residues pruned to eliminate duplicates Z: 15 19.301 2.049 0.935 0.599 1.000 0.571 CB 1.184 15 residues pruned to eliminate duplicates Z: 70 34.249 2.093 0.817 0.452 0.899 0.609 CB 1.268 70 residues pruned to eliminate duplicates Z: 9 11.313 1.924 0.570 0.770 0.750 0.750 CB 1.390 9 residues pruned to eliminate duplicates Z: 10 4.276 1.747 0.429 0.304 0.667 0.333 CB 1.065 10 residues pruned to eliminate duplicates Z: 20 9.587 1.763 0.556 0.338 0.789 0.579 CB 1.212 20 residues pruned to eliminate duplicates Z: 9 5.871 1.713 0.049 0.466 0.875 0.375 CB 1.366 9 residues pruned to eliminate duplicates Z: 12 8.828 1.976 0.919 0.401 0.727 0.545 CA 1.072 12 residues pruned to eliminate duplicates Z: 6 8.065 1.767 0.603 0.639 0.800 0.800 CA 1.397 6 residues pruned to eliminate duplicates Z: 33 20.627 1.851 0.599 0.555 0.938 0.656 CB 1.246 8 residues pruned to eliminate duplicates Z: 18 20.263 1.965 1.105 0.533 1.000 0.647 CB 1.151 18 residues pruned to eliminate duplicates Z: 7 13.165 2.003 0.520 0.692 1.000 0.833 CA 1.482 7 residues pruned to eliminate duplicates Z: 10 17.879 1.985 1.494 0.864 0.778 0.667 CB 1.135 9 residues pruned to eliminate duplicates Z: 19 14.381 1.817 0.678 0.564 0.833 0.333 CB 1.255 19 residues pruned to eliminate duplicates Z: 19 10.596 1.954 0.426 0.330 0.833 0.333 CB 1.297 19 residues pruned to eliminate duplicates Z: 18 13.365 1.929 0.698 0.414 1.000 0.588 CA 1.083 18 residues pruned to eliminate duplicates Z: 54 36.051 2.053 0.845 0.536 0.925 0.642 CB 1.365 54 residues pruned to eliminate duplicates Z: 7 3.865 1.762 0.087 0.763 0.833 0.833 CB 0.782 7 residues pruned to eliminate duplicates Z: 9 9.741 1.575 0.453 0.705 1.000 1.000 CA 1.249 9 residues pruned to eliminate duplicates Z: 26 26.721 2.066 1.171 0.584 0.920 0.680 CB 1.195 26 residues pruned to eliminate duplicates Z: 33 26.172 2.121 0.994 0.479 0.875 0.531 CB 1.277 33 residues pruned to eliminate duplicates Z: 21 12.580 1.970 0.506 0.476 0.850 0.600 CB 1.143 21 residues pruned to eliminate duplicates Z: 35 24.818 2.063 0.903 0.507 0.853 0.588 CB 1.262 34 residues pruned to eliminate duplicates Z: 28 11.839 2.070 0.519 0.378 0.741 0.370 CB 1.113 28 residues pruned to eliminate duplicates Z: 32 27.456 2.146 1.046 0.540 0.903 0.516 CB 1.196 32 residues pruned to eliminate duplicates Z: 57 27.396 2.098 0.969 0.478 0.839 0.643 CB 1.079 57 residues pruned to eliminate duplicates Z: 19 20.891 1.989 1.026 0.602 0.944 0.722 CB 1.174 19 residues pruned to eliminate duplicates Z: 16 14.470 2.081 0.476 0.498 0.867 0.667 CB 1.406 16 residues pruned to eliminate duplicates Z: 25 29.251 2.147 1.014 0.535 0.958 0.625 CB 1.392 25 residues pruned to eliminate duplicates Z: 26 24.028 1.994 0.722 0.557 0.920 0.720 CB 1.439 26 residues pruned to eliminate duplicates Z: 36 39.134 2.141 1.124 0.586 0.943 0.600 CB 1.421 36 residues pruned to eliminate duplicates Z: 10 5.490 1.588 -0.110 0.646 1.000 0.444 CB 1.129 Z: 42 30.749 2.080 1.039 0.548 0.878 0.537 CB 1.230 42 residues pruned to eliminate duplicates Z: 15 16.365 1.705 0.984 0.565 0.929 0.786 CB 1.308 15 residues pruned to eliminate duplicates Z: 35 19.083 1.764 0.497 0.566 0.971 0.618 CB 1.198 28 residues pruned to eliminate duplicates Z: 10 2.235 1.427 0.133 0.211 0.889 0.778 CB 0.729 Z: 14 13.031 1.962 1.044 0.467 0.846 0.692 CB 1.102 14 residues pruned to eliminate duplicates Z: 20 25.307 2.094 1.172 0.477 0.947 0.632 CB 1.379 20 residues pruned to eliminate duplicates Z: 7 11.064 1.901 1.189 0.476 1.000 0.667 CA 1.111 7 residues pruned to eliminate duplicates Z: 22 29.062 2.138 0.892 0.598 0.905 0.667 CB 1.578 22 residues pruned to eliminate duplicates Z: 36 25.265 2.063 0.926 0.465 0.943 0.571 CB 1.181 36 residues pruned to eliminate duplicates Z: 8 4.119 1.600 -0.098 0.477 0.857 0.714 CB 1.288 8 residues pruned to eliminate duplicates Z: 8 6.105 1.597 0.284 0.561 1.000 0.714 CB 1.061 Z: 6 4.825 1.725 0.305 0.796 0.800 0.800 CB 0.925 6 residues pruned to eliminate duplicates Z: 21 16.806 2.006 0.810 0.467 0.900 0.700 CA 1.190 21 residues pruned to eliminate duplicates Z: 20 12.555 1.779 0.603 0.413 0.947 0.474 CB 1.168 20 residues pruned to eliminate duplicates Z: 6 3.183 1.560 0.714 0.431 0.600 0.400 CB 0.954 6 residues pruned to eliminate duplicates Z: 8 5.624 1.752 0.161 0.497 0.857 0.571 CA 1.223 8 residues pruned to eliminate duplicates Z: 7 4.569 1.495 0.327 0.846 0.833 0.667 CB 0.839 7 residues pruned to eliminate duplicates Z: 19 11.685 1.874 0.553 0.459 0.889 0.611 CB 1.110 19 residues pruned to eliminate duplicates Z: 18 22.412 2.043 1.082 0.583 0.941 0.765 CB 1.254 18 residues pruned to eliminate duplicates Z: 19 21.317 2.020 0.837 0.553 1.000 0.611 CB 1.286 19 residues pruned to eliminate duplicates Z: 27 25.776 1.993 0.866 0.555 0.846 0.654 CB 1.523 27 residues pruned to eliminate duplicates Z: 7 4.267 1.690 0.867 0.555 0.667 0.667 CB 0.785 Z: 12 14.141 1.800 0.836 0.803 1.000 0.909 CB 0.990 10 residues pruned to eliminate duplicates Z: 7 4.018 1.672 0.594 0.257 1.000 0.500 CB 0.813 6 residues pruned to eliminate duplicates Z: 10 15.965 2.066 0.877 0.833 0.889 0.556 CB 1.158 11 residues pruned to eliminate duplicates Z: 12 18.787 1.865 1.215 0.632 0.909 0.909 CA 1.333 12 residues pruned to eliminate duplicates Z: 7 6.361 1.754 0.545 0.532 1.000 0.833 CB 0.928 7 residues pruned to eliminate duplicates Z: 20 23.445 2.083 0.844 0.561 0.947 0.684 CB 1.393 20 residues pruned to eliminate duplicates Z: 14 5.224 1.757 0.519 0.416 0.615 0.385 CB 0.963 14 residues pruned to eliminate duplicates Z: 12 8.054 1.747 0.450 0.408 0.818 0.545 CB 1.290 12 residues pruned to eliminate duplicates Z: 15 12.957 1.980 0.574 0.282 0.929 0.429 CA 1.530 15 residues pruned to eliminate duplicates Z: 17 18.723 2.054 0.897 0.455 0.938 0.625 CA 1.341 17 residues pruned to eliminate duplicates Z: 8 14.775 1.945 1.222 0.618 0.857 0.714 C 1.348 8 residues pruned to eliminate duplicates Z: 7 9.846 1.855 0.544 0.536 1.000 0.667 CB 1.354 7 residues pruned to eliminate duplicates Z: 11 15.906 1.757 1.047 0.808 1.000 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 19 14.133 1.877 0.763 0.366 0.944 0.556 CB 1.231 19 residues pruned to eliminate duplicates Z: 8 16.040 1.762 1.173 0.722 0.857 0.714 CA 1.512 8 residues pruned to eliminate duplicates Z: 7 11.085 1.775 0.629 0.573 1.000 1.000 CA 1.459 7 residues pruned to eliminate duplicates Z: 18 10.717 2.098 0.767 0.330 0.765 0.471 CB 1.105 18 residues pruned to eliminate duplicates Z: 6 5.316 1.677 0.629 0.683 1.000 0.800 CB 0.736 6 residues pruned to eliminate duplicates Z: 43 28.730 2.130 0.844 0.520 0.857 0.619 CB 1.290 43 residues pruned to eliminate duplicates Z: 20 25.366 2.117 1.226 0.538 0.895 0.632 CB 1.330 20 residues pruned to eliminate duplicates Z: 15 26.634 1.845 0.998 0.759 1.000 0.786 CB 1.533 15 residues pruned to eliminate duplicates Z: 8 4.908 1.463 0.667 0.436 1.000 0.857 CB 0.812 10 residues pruned to eliminate duplicates Z: 25 14.399 1.848 0.735 0.427 0.875 0.500 CB 1.131 25 residues pruned to eliminate duplicates Z: 13 12.177 1.737 0.714 0.622 0.833 0.750 CB 1.263 13 residues pruned to eliminate duplicates Z: 13 6.991 1.572 0.434 0.495 0.917 0.583 CB 0.981 13 residues pruned to eliminate duplicates Z: 9 10.399 1.869 0.682 0.488 0.875 0.500 CB 1.353 Z: 80 37.760 2.107 0.776 0.495 0.873 0.684 CB 1.306 80 residues pruned to eliminate duplicates Z: 10 12.061 2.006 0.695 0.824 0.889 0.556 CB 1.005 10 residues pruned to eliminate duplicates Z: 6 8.259 1.738 0.548 0.573 0.800 0.800 CA 1.599 6 residues pruned to eliminate duplicates Z: 6 2.027 1.563 0.586 0.472 0.600 0.400 CB 0.627 Z: 26 33.947 2.128 1.189 0.603 0.880 0.760 CB 1.502 26 residues pruned to eliminate duplicates Z: 11 11.977 1.878 0.417 0.836 1.000 0.800 CB 1.065 11 residues pruned to eliminate duplicates Z: 6 6.285 1.993 0.194 0.750 1.000 0.800 CB 0.944 6 residues pruned to eliminate duplicates Z: 8 4.112 1.481 0.610 0.519 0.857 0.714 CB 0.747 8 residues pruned to eliminate duplicates Z: 14 7.900 1.856 0.729 0.422 0.769 0.538 CB 0.963 16 residues pruned to eliminate duplicates Z: 9 8.907 1.973 0.242 0.546 0.875 0.625 CB 1.404 9 residues pruned to eliminate duplicates Z: 8 10.437 1.775 0.971 0.652 1.000 1.000 CB 0.978 8 residues pruned to eliminate duplicates Z: 6 2.916 1.436 0.268 0.702 0.800 0.600 CB 0.744 Z: 23 13.816 2.060 0.640 0.340 0.955 0.545 CB 1.087 31 residues pruned to eliminate duplicates Z: 52 25.652 1.848 0.711 0.533 0.961 0.627 CB 1.145 51 residues pruned to eliminate duplicates Z: 55 31.365 2.111 0.957 0.489 0.833 0.537 CB 1.253 55 residues pruned to eliminate duplicates Z: 19 21.482 1.937 0.998 0.536 0.944 0.722 CB 1.337 19 residues pruned to eliminate duplicates Z: 19 18.354 1.988 1.039 0.544 0.944 0.722 CB 1.082 19 residues pruned to eliminate duplicates Z: 24 21.614 1.800 0.813 0.623 0.913 0.739 CB 1.347 24 residues pruned to eliminate duplicates Z: 6 9.112 1.648 0.580 0.871 1.000 1.000 CB 1.142 8 residues pruned to eliminate duplicates Z: 12 10.850 1.860 0.539 0.468 0.909 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 14 6.483 1.741 0.624 0.444 0.615 0.385 CB 1.095 14 residues pruned to eliminate duplicates Z: 6 8.032 1.790 0.413 0.765 1.000 0.800 CA 1.122 6 residues pruned to eliminate duplicates Z: 9 5.532 1.678 0.033 0.625 0.875 0.625 N 1.147 9 residues pruned to eliminate duplicates Z: 6 2.355 1.547 -0.076 0.692 0.800 0.800 CB 0.773 Z: 10 5.081 1.486 0.264 0.296 0.889 0.222 CB 1.274 10 residues pruned to eliminate duplicates Z: 87 34.166 2.082 0.828 0.439 0.872 0.558 CB 1.181 87 residues pruned to eliminate duplicates Z: 12 13.891 1.843 1.116 0.516 0.727 0.545 CB 1.454 12 residues pruned to eliminate duplicates Z: 28 17.110 1.907 0.760 0.490 0.889 0.593 CB 1.115 28 residues pruned to eliminate duplicates Z: 7 6.690 1.752 0.013 0.759 1.000 1.000 CA 1.222 7 residues pruned to eliminate duplicates Z: 6 5.351 1.615 0.321 0.588 1.000 0.800 N 1.031 Z: 42 24.327 2.014 0.731 0.433 0.854 0.585 CB 1.368 42 residues pruned to eliminate duplicates Z: 23 22.861 1.797 0.800 0.619 1.000 0.773 CB 1.347 24 residues pruned to eliminate duplicates Z: 14 13.551 2.114 0.523 0.478 0.846 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 20 15.938 1.906 0.691 0.465 0.842 0.474 CB 1.397 20 residues pruned to eliminate duplicates Z: 21 19.485 2.001 0.872 0.489 0.900 0.500 CA 1.308 21 residues pruned to eliminate duplicates Z: 15 11.551 1.940 0.687 0.523 0.786 0.429 CB 1.174 15 residues pruned to eliminate duplicates Z: 20 21.768 1.977 0.721 0.622 0.895 0.632 CA 1.462 20 residues pruned to eliminate duplicates Z: 11 16.321 1.757 0.780 0.872 1.000 0.400 CB 1.203 10 residues pruned to eliminate duplicates Z: 7 6.263 1.626 0.140 0.748 1.000 0.500 O 1.105 Z: 9 5.066 1.595 0.607 0.427 0.750 0.250 CB 1.005 9 residues pruned to eliminate duplicates Z: 16 17.049 1.890 0.359 0.665 1.000 0.667 CB 1.471 15 residues pruned to eliminate duplicates Z: 19 14.661 1.941 0.781 0.498 0.889 0.611 CB 1.127 28 residues pruned to eliminate duplicates Z: 24 11.281 1.705 0.599 0.386 0.739 0.522 CB 1.317 24 residues pruned to eliminate duplicates Z: 12 7.664 1.890 0.343 0.424 0.818 0.636 CB 1.204 12 residues pruned to eliminate duplicates Z: 57 28.801 2.067 0.787 0.513 0.857 0.536 CB 1.200 57 residues pruned to eliminate duplicates Z: 15 20.381 1.820 0.709 0.750 0.929 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 31 15.151 1.843 0.714 0.464 0.733 0.567 CB 1.239 31 residues pruned to eliminate duplicates Z: 6 7.019 1.651 0.420 0.797 0.800 0.800 CB 1.291 6 residues pruned to eliminate duplicates Z: 41 20.133 1.718 0.500 0.570 0.950 0.650 CB 1.215 41 residues pruned to eliminate duplicates Z: 28 23.034 1.982 1.020 0.557 0.815 0.667 CB 1.285 28 residues pruned to eliminate duplicates Z: 7 4.130 1.536 0.165 0.380 1.000 0.500 CA 1.071 Z: 6 11.089 1.928 0.930 0.689 0.800 0.800 CB 1.401 6 residues pruned to eliminate duplicates Z: 11 10.805 1.873 0.487 0.841 0.900 0.900 CB 1.017 11 residues pruned to eliminate duplicates Z: 9 4.658 1.538 0.690 0.397 0.875 0.500 CB 0.807 9 residues pruned to eliminate duplicates Z: 20 25.393 2.099 1.247 0.584 0.947 0.632 CB 1.202 20 residues pruned to eliminate duplicates Z: 12 12.261 1.639 0.797 0.491 1.000 0.727 CB 1.267 12 residues pruned to eliminate duplicates Z: 10 13.484 2.014 0.601 0.901 1.000 0.667 CB 0.995 10 residues pruned to eliminate duplicates Z: 15 13.754 2.003 0.590 0.437 0.857 0.500 CB 1.437 15 residues pruned to eliminate duplicates Z: 6 3.075 1.539 0.520 0.686 0.800 0.800 CB 0.619 6 residues pruned to eliminate duplicates Z: 13 15.746 1.921 0.912 0.593 0.833 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 16 12.406 1.693 0.786 0.468 0.867 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 18 6.815 1.894 0.474 0.459 0.706 0.471 CB 0.874 18 residues pruned to eliminate duplicates Z: 13 19.623 1.716 1.227 0.630 0.917 0.750 CB 1.431 13 residues pruned to eliminate duplicates Z: 14 25.888 1.974 0.838 0.718 1.000 0.692 C 1.624 14 residues pruned to eliminate duplicates Z: 34 29.775 2.076 1.134 0.505 0.879 0.636 CB 1.324 34 residues pruned to eliminate duplicates Z: 23 15.887 1.722 0.767 0.540 0.864 0.682 CB 1.240 23 residues pruned to eliminate duplicates Z: 10 3.764 1.632 0.339 0.521 0.667 0.556 CB 0.844 5 residues pruned to eliminate duplicates Z: 16 22.323 1.891 0.907 0.671 0.867 0.800 CA 1.574 16 residues pruned to eliminate duplicates 6 1.932 1.580 0.519 0.436 0.600 0.600 CA 0.641 ? Z: 31 24.255 2.056 0.799 0.477 0.900 0.500 CB 1.362 31 residues pruned to eliminate duplicates Z: 29 16.511 1.918 0.696 0.493 0.893 0.643 CB 1.082 29 residues pruned to eliminate duplicates Z: 15 9.443 2.095 0.485 0.387 0.714 0.571 CB 1.280 15 residues pruned to eliminate duplicates Z: 6 4.733 1.442 0.035 0.634 1.000 0.400 CB 1.251 7 residues pruned to eliminate duplicates Z: 17 8.421 1.538 0.557 0.383 0.812 0.625 CB 1.225 17 residues pruned to eliminate duplicates Z: 8 11.213 2.025 0.737 0.826 0.857 0.286 CB 1.060 8 residues pruned to eliminate duplicates Z: 56 32.329 2.098 0.798 0.438 0.927 0.564 CB 1.329 56 residues pruned to eliminate duplicates Z: 22 19.568 1.826 0.662 0.598 0.952 0.667 CB 1.346 22 residues pruned to eliminate duplicates Z: 24 15.445 1.920 0.654 0.569 0.870 0.565 CB 1.090 24 residues pruned to eliminate duplicates Z: 11 11.739 1.776 0.694 0.566 0.900 0.600 CB 1.286 Z: 6 4.733 1.493 0.472 0.805 1.000 0.800 CB 0.738 5 residues pruned to eliminate duplicates Z: 27 18.760 1.927 0.587 0.490 0.923 0.577 CB 1.317 27 residues pruned to eliminate duplicates Z: 27 30.871 2.161 0.878 0.621 0.885 0.769 CB 1.505 27 residues pruned to eliminate duplicates Z: 12 9.887 1.775 0.715 0.438 0.818 0.545 CB 1.277 12 residues pruned to eliminate duplicates Z: 6 5.974 1.699 -0.218 0.853 1.000 0.800 C 1.486 Z: 35 18.906 1.831 0.684 0.473 0.882 0.529 CB 1.225 35 residues pruned to eliminate duplicates Z: 43 26.398 2.013 0.818 0.397 0.929 0.452 CB 1.336 43 residues pruned to eliminate duplicates Z: 18 11.369 1.824 0.514 0.438 0.941 0.412 CA 1.131 18 residues pruned to eliminate duplicates Z: 7 6.460 1.571 0.239 0.744 1.000 0.833 CA 1.089 7 residues pruned to eliminate duplicates Z: 8 2.583 1.640 0.025 0.353 0.714 0.429 CB 0.953 Z: 14 4.397 1.487 0.097 0.397 0.769 0.615 CB 1.084 Z: 20 22.998 2.004 1.063 0.556 0.947 0.789 CB 1.275 20 residues pruned to eliminate duplicates Z: 63 35.373 2.148 0.838 0.500 0.887 0.597 CB 1.282 63 residues pruned to eliminate duplicates Z: 6 9.272 1.713 0.796 0.398 1.000 0.600 CB 1.500 6 residues pruned to eliminate duplicates Z: 66 32.893 2.039 0.705 0.415 0.908 0.554 CB 1.413 66 residues pruned to eliminate duplicates Z: 16 16.064 1.996 0.759 0.481 0.867 0.533 CB 1.389 16 residues pruned to eliminate duplicates Z: 8 2.651 1.579 -0.024 0.341 0.714 0.286 CB 1.082 7 residues pruned to eliminate duplicates Z: 29 17.299 1.933 0.639 0.452 0.893 0.607 CB 1.214 37 residues pruned to eliminate duplicates Z: 20 10.801 1.826 0.834 0.300 0.789 0.474 CB 1.172 20 residues pruned to eliminate duplicates Z: 34 22.232 2.118 0.568 0.432 0.939 0.455 CB 1.332 34 residues pruned to eliminate duplicates Z: 10 6.790 1.629 0.205 0.557 1.000 0.667 CB 1.092 17 residues pruned to eliminate duplicates Z: 14 10.529 1.826 0.914 0.560 0.846 0.615 CB 0.932 20 residues pruned to eliminate duplicates Z: 11 8.210 1.775 0.714 0.797 0.800 0.400 CB 0.822 11 residues pruned to eliminate duplicates Z: 14 14.694 2.038 0.656 0.608 0.846 0.692 CB 1.288 14 residues pruned to eliminate duplicates Z: 10 8.808 1.783 0.572 0.526 0.889 0.556 CB 1.149 10 residues pruned to eliminate duplicates Z: 51 25.446 1.822 0.686 0.527 0.940 0.700 CB 1.214 51 residues pruned to eliminate duplicates Z: 12 8.598 1.968 0.271 0.458 0.727 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 15 11.120 1.846 0.767 0.422 0.786 0.500 CB 1.257 15 residues pruned to eliminate duplicates Z: 6 3.259 1.802 0.184 0.490 0.600 0.600 N 1.150 6 residues pruned to eliminate duplicates Z: 48 24.960 1.896 0.800 0.424 0.830 0.553 CB 1.390 55 residues pruned to eliminate duplicates Z: 7 6.763 1.419 1.212 0.473 0.833 0.667 CB 1.084 Z: 36 28.503 1.827 0.850 0.650 0.943 0.771 CB 1.315 36 residues pruned to eliminate duplicates Z: 21 21.172 2.122 0.907 0.508 0.850 0.700 CB 1.366 21 residues pruned to eliminate duplicates Z: 12 10.012 1.690 0.439 0.501 0.818 0.636 CB 1.515 12 residues pruned to eliminate duplicates Z: 48 23.819 2.014 0.740 0.451 0.872 0.574 CB 1.194 48 residues pruned to eliminate duplicates Z: 6 3.230 1.662 -0.390 0.770 1.000 0.800 CB 1.122 Z: 7 6.304 1.553 0.457 0.607 1.000 0.833 CA 1.027 Z: 11 8.420 1.792 0.329 0.771 0.800 0.400 CB 1.100 11 residues pruned to eliminate duplicates Z: 28 11.390 1.864 0.521 0.421 0.852 0.519 CB 0.986 28 residues pruned to eliminate duplicates Z: 6 3.377 1.258 0.587 0.609 0.800 0.400 N 0.853 Z: 10 13.730 2.034 0.648 0.797 0.889 0.667 CB 1.184 11 residues pruned to eliminate duplicates Z: 7 4.432 1.787 0.339 0.300 0.833 0.500 CB 1.134 7 residues pruned to eliminate duplicates Z: 43 20.196 1.965 0.687 0.380 0.857 0.476 CB 1.246 43 residues pruned to eliminate duplicates Z: 11 8.393 1.876 0.520 0.572 0.900 0.600 CB 0.965 11 residues pruned to eliminate duplicates Z: 10 4.711 1.783 0.226 0.365 0.889 0.556 CA 0.935 10 residues pruned to eliminate duplicates Z: 25 16.415 2.027 0.433 0.447 0.875 0.542 CB 1.392 25 residues pruned to eliminate duplicates Z: 8 7.208 1.728 0.622 0.445 0.714 0.571 CA 1.439 8 residues pruned to eliminate duplicates Z: 38 28.056 2.090 0.857 0.561 0.919 0.595 CB 1.219 38 residues pruned to eliminate duplicates Z: 20 13.560 1.821 0.732 0.464 0.895 0.526 CB 1.143 31 residues pruned to eliminate duplicates Z: 7 8.929 2.025 0.158 0.521 1.000 0.667 CA 1.523 7 residues pruned to eliminate duplicates Z: 28 16.174 1.859 0.512 0.489 0.852 0.630 CB 1.314 28 residues pruned to eliminate duplicates Z: 8 10.687 2.011 0.537 0.526 0.857 0.714 CA 1.487 8 residues pruned to eliminate duplicates Z: 9 9.015 1.658 0.668 0.698 0.875 0.875 CB 1.100 10 residues pruned to eliminate duplicates Z: 56 36.393 2.173 1.024 0.476 0.891 0.527 CB 1.283 56 residues pruned to eliminate duplicates Z: 6 2.743 1.631 0.085 0.682 0.800 0.800 CB 0.733 Z: 29 21.296 1.784 0.788 0.536 0.893 0.679 CB 1.364 39 residues pruned to eliminate duplicates Z: 12 14.568 1.836 0.663 0.867 1.000 0.818 CB 1.052 10 residues pruned to eliminate duplicates Z: 7 2.765 1.606 -0.252 0.562 0.833 0.500 CB 1.062 7 residues pruned to eliminate duplicates Z: 23 22.979 1.980 0.964 0.560 0.864 0.682 CB 1.376 23 residues pruned to eliminate duplicates Z: 26 24.659 2.017 0.794 0.550 0.880 0.760 CB 1.476 26 residues pruned to eliminate duplicates Z: 7 3.625 1.606 0.373 0.351 0.833 0.333 CB 0.947 7 residues pruned to eliminate duplicates Z: 42 18.779 1.883 0.726 0.470 0.854 0.659 CB 1.089 42 residues pruned to eliminate duplicates Z: 7 4.708 1.588 -0.135 0.840 1.000 0.833 CB 1.044 7 residues pruned to eliminate duplicates Z: 46 37.342 2.137 0.884 0.530 0.978 0.511 CB 1.373 46 residues pruned to eliminate duplicates Z: 15 29.875 1.935 1.144 0.763 1.000 0.857 CB 1.524 15 residues pruned to eliminate duplicates Z: 11 5.151 1.572 -0.181 0.639 0.900 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 10 17.098 2.066 0.981 0.583 0.889 0.556 CB 1.447 11 residues pruned to eliminate duplicates Z: 16 10.299 1.691 0.766 0.445 0.933 0.600 CB 1.010 Z: 20 23.408 2.070 0.780 0.533 0.947 0.579 CB 1.489 20 residues pruned to eliminate duplicates Z: 12 6.849 2.048 0.581 0.290 0.727 0.364 CB 1.111 12 residues pruned to eliminate duplicates Z: 7 9.803 2.019 0.400 0.663 0.833 0.833 CB 1.461 7 residues pruned to eliminate duplicates Z: 6 3.117 1.796 -0.154 0.468 0.800 0.800 N 1.185 6 residues pruned to eliminate duplicates Z: 12 7.083 1.648 0.802 0.379 0.909 0.727 CB 0.900 12 residues pruned to eliminate duplicates Z: 7 4.324 1.680 0.416 0.243 0.833 0.167 CB 1.198 7 residues pruned to eliminate duplicates Z: 30 16.366 1.996 0.827 0.434 0.862 0.552 CB 1.035 30 residues pruned to eliminate duplicates Z: 7 12.534 1.862 0.711 0.835 1.000 1.000 CB 1.203 Z: 6 3.295 1.486 0.965 0.340 0.800 0.600 CA 0.750 6 residues pruned to eliminate duplicates Z: 21 13.057 1.642 0.401 0.574 1.000 0.750 CB 1.182 21 residues pruned to eliminate duplicates Z: 13 9.224 1.687 0.700 0.535 1.000 0.583 CB 0.897 13 residues pruned to eliminate duplicates Z: 15 14.156 1.762 0.473 0.614 0.857 0.714 N 1.527 15 residues pruned to eliminate duplicates Z: 28 25.401 2.128 0.635 0.471 0.963 0.519 CB 1.503 28 residues pruned to eliminate duplicates Z: 24 13.896 1.629 0.549 0.528 1.000 0.652 CB 1.117 24 residues pruned to eliminate duplicates Z: 32 12.386 1.674 0.387 0.439 0.871 0.484 CB 1.172 32 residues pruned to eliminate duplicates Z: 11 9.127 1.581 0.723 0.540 0.800 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 13 14.478 1.869 1.135 0.497 1.000 0.750 CB 1.051 13 residues pruned to eliminate duplicates Z: 10 14.615 1.859 1.037 0.569 1.000 0.667 CB 1.204 10 residues pruned to eliminate duplicates Z: 16 21.421 1.861 0.870 0.672 0.933 0.867 CB 1.453 16 residues pruned to eliminate duplicates Z: 7 3.834 1.366 0.397 0.547 0.833 0.333 O 0.940 Z: 12 12.565 1.943 0.807 0.394 0.909 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 9 9.618 1.827 0.905 0.621 0.875 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 10 9.086 1.742 1.066 0.719 0.889 0.667 N 0.777 Z: 6 6.542 1.956 0.407 0.753 1.000 0.600 CB 0.848 6 residues pruned to eliminate duplicates Z: 10 10.947 1.677 0.734 0.676 1.000 1.000 CB 1.067 10 residues pruned to eliminate duplicates Z: 7 5.380 1.643 0.716 0.385 0.833 0.500 CB 1.056 7 residues pruned to eliminate duplicates Z: 12 8.304 1.478 0.305 0.504 1.000 0.636 CA 1.292 11 residues pruned to eliminate duplicates Z: 8 6.242 1.673 0.326 0.574 0.857 0.714 CB 1.156 8 residues pruned to eliminate duplicates Z: 15 8.114 1.784 0.380 0.450 0.929 0.643 CB 0.998 15 residues pruned to eliminate duplicates Z: 9 18.363 1.896 1.005 0.817 1.000 0.625 CA 1.296 9 residues pruned to eliminate duplicates Z: 6 4.478 1.229 0.392 0.777 1.000 1.000 C 0.916 6 residues pruned to eliminate duplicates Z: 6 3.014 1.075 0.765 0.804 1.000 0.800 CA 0.545 6 residues pruned to eliminate duplicates Z: 20 13.781 2.016 0.351 0.433 0.947 0.632 CB 1.313 20 residues pruned to eliminate duplicates Z: 19 23.831 2.018 1.015 0.538 1.000 0.611 CB 1.330 19 residues pruned to eliminate duplicates Z: 10 4.348 1.747 0.563 0.281 0.889 0.556 CB 0.765 10 residues pruned to eliminate duplicates Z: 54 32.498 2.101 0.879 0.469 0.887 0.604 CB 1.317 54 residues pruned to eliminate duplicates Z: 9 5.230 1.977 0.502 0.313 0.750 0.250 CB 1.022 9 residues pruned to eliminate duplicates Z: 6 5.856 2.051 0.328 0.649 0.800 0.800 CB 1.046 6 residues pruned to eliminate duplicates Z: 16 18.355 1.828 0.610 0.667 0.933 0.733 CB 1.479 16 residues pruned to eliminate duplicates Z: 16 17.724 1.773 0.647 0.639 0.933 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 8 8.993 1.529 0.931 0.616 0.857 0.857 CB 1.203 Z: 23 16.376 1.768 0.530 0.565 0.909 0.773 CB 1.333 23 residues pruned to eliminate duplicates Z: 21 14.004 1.907 0.664 0.419 0.900 0.500 CB 1.193 21 residues pruned to eliminate duplicates Z: 7 3.947 1.713 0.307 0.394 0.833 0.667 CA 0.966 7 residues pruned to eliminate duplicates Z: 16 17.220 2.025 1.199 0.400 0.867 0.400 CB 1.280 16 residues pruned to eliminate duplicates Z: 6 3.776 1.557 0.244 0.495 1.000 0.200 CB 0.876 Z: 48 34.095 2.139 0.917 0.515 0.915 0.511 CB 1.306 48 residues pruned to eliminate duplicates Z: 60 28.309 2.014 0.896 0.468 0.831 0.610 CB 1.201 60 residues pruned to eliminate duplicates Z: 8 5.980 1.507 0.156 0.588 1.000 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 9 23.506 2.008 1.224 0.856 1.000 0.750 CB 1.373 11 residues pruned to eliminate duplicates Z: 17 21.114 2.064 1.009 0.538 0.938 0.562 CA 1.309 17 residues pruned to eliminate duplicates Z: 10 3.367 1.488 0.338 0.299 0.667 0.444 N 1.059 6 1.310 1.445 -0.086 0.421 0.600 0.400 O 0.803 ? Z: 6 5.571 1.693 0.043 0.779 0.800 0.600 CA 1.380 6 residues pruned to eliminate duplicates Z: 9 7.505 1.687 0.447 0.594 0.875 0.750 CB 1.135 9 residues pruned to eliminate duplicates Z: 24 17.440 1.717 0.707 0.607 0.870 0.652 CB 1.289 24 residues pruned to eliminate duplicates Z: 15 9.802 1.602 0.536 0.559 0.929 0.857 CB 1.083 15 residues pruned to eliminate duplicates Z: 6 9.160 2.022 0.389 0.557 1.000 0.800 CA 1.379 6 residues pruned to eliminate duplicates Z: 31 17.604 1.976 0.739 0.430 0.800 0.500 CB 1.257 31 residues pruned to eliminate duplicates Z: 26 15.152 1.727 0.504 0.514 0.920 0.680 CB 1.250 26 residues pruned to eliminate duplicates Z: 16 25.016 1.873 1.056 0.700 0.933 0.733 CB 1.498 16 residues pruned to eliminate duplicates Z: 6 2.393 1.518 0.556 0.238 0.600 0.200 N 1.023 6 residues pruned to eliminate duplicates Z: 11 11.024 1.787 0.615 0.509 0.900 0.600 C 1.330 11 residues pruned to eliminate duplicates Z: 8 4.114 1.456 0.242 0.315 0.857 0.714 N 1.231 Z: 11 4.522 1.615 0.053 0.343 0.800 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 18 20.971 1.804 0.967 0.667 0.882 0.824 CB 1.391 18 residues pruned to eliminate duplicates Z: 44 24.015 2.121 0.795 0.474 0.860 0.535 CB 1.147 44 residues pruned to eliminate duplicates Z: 6 2.033 1.442 0.461 0.396 0.800 0.400 CB 0.602 Z: 12 5.908 1.691 0.325 0.428 0.727 0.455 CA 1.178 12 residues pruned to eliminate duplicates Z: 8 3.102 1.830 0.344 0.439 0.714 0.429 CB 0.711 Z: 15 11.513 1.923 0.872 0.595 0.857 0.500 CB 0.911 15 residues pruned to eliminate duplicates Z: 6 3.469 1.552 0.178 0.405 1.000 0.600 CA 0.937 6 residues pruned to eliminate duplicates Z: 10 6.286 1.483 0.221 0.702 0.889 0.667 CB 1.083 Z: 9 5.940 1.624 0.380 0.527 0.875 0.625 CA 1.043 9 residues pruned to eliminate duplicates Z: 16 8.750 1.799 0.682 0.472 0.733 0.400 CB 1.048 16 residues pruned to eliminate duplicates Z: 7 4.044 1.812 0.428 0.333 1.000 0.833 CB 0.766 7 residues pruned to eliminate duplicates Z: 9 6.152 1.577 0.187 0.620 0.875 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 22 11.836 1.604 0.846 0.537 0.810 0.619 CB 1.040 18 residues pruned to eliminate duplicates Z: 19 13.354 1.809 0.844 0.605 0.889 0.389 CB 0.961 12 residues pruned to eliminate duplicates Z: 16 10.604 1.549 0.597 0.538 1.000 0.733 CB 1.067 16 residues pruned to eliminate duplicates Z: 11 16.759 1.627 0.960 0.641 1.000 0.700 CB 1.457 11 residues pruned to eliminate duplicates Z: 9 12.799 1.754 0.930 0.709 0.875 0.750 C 1.264 9 residues pruned to eliminate duplicates Z: 13 14.632 1.699 0.841 0.708 1.000 0.917 CB 1.117 13 residues pruned to eliminate duplicates Z: 13 19.971 2.005 1.075 0.537 0.917 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 22 14.847 1.818 0.795 0.476 0.952 0.619 CB 1.068 22 residues pruned to eliminate duplicates Z: 12 13.019 1.989 0.754 0.701 0.818 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 8 2.562 1.328 0.355 0.274 0.714 0.571 C 0.973 Z: 11 7.239 1.521 0.479 0.569 0.900 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 6 7.489 1.497 0.742 0.719 1.000 0.800 CB 1.053 Z: 13 9.394 1.691 0.526 0.446 0.833 0.583 C 1.333 13 residues pruned to eliminate duplicates Z: 24 17.434 1.627 0.596 0.641 1.000 0.826 CB 1.227 24 residues pruned to eliminate duplicates Z: 10 10.818 1.617 0.859 0.701 0.889 0.778 CB 1.124 10 residues pruned to eliminate duplicates Z: 31 19.428 1.893 0.869 0.445 0.867 0.567 CB 1.223 31 residues pruned to eliminate duplicates Z: 9 3.834 1.445 0.202 0.318 0.875 0.250 CB 1.091 9 residues pruned to eliminate duplicates 469 residues left after pruning, divided into chains as follows: A: 87 B: 14 C: 112 D: 51 E: 157 F: 13 G: 20 H: 6 I: 9 CC for partial structure against native data = 39.73 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.439, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.507, Connect. = 0.737 for dens.mod. cycle 2 = 0.300, Contrast = 0.608, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.618, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.629, Connect. = 0.777 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.639, Connect. = 0.780 for dens.mod. cycle 7 = 0.300, Contrast = 0.641, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.644, Connect. = 0.782 for dens.mod. cycle 9 = 0.300, Contrast = 0.645, Connect. = 0.783 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3081 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 653 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 19.793 2.411 0.718 0.451 0.818 0.364 CB 1.852 B: 22 26.322 2.236 0.990 0.459 0.857 0.429 CB 1.571 C: 51 39.466 2.230 0.884 0.527 0.880 0.640 CB 1.470 D: 21 30.397 2.328 1.095 0.512 0.850 0.650 CB 1.620 21 residues pruned to eliminate duplicates E: 15 15.097 2.060 1.038 0.410 0.857 0.500 CA 1.232 16 residues pruned to eliminate duplicates F: 21 24.843 2.258 1.011 0.505 0.850 0.650 CB 1.432 21 residues pruned to eliminate duplicates G: 51 43.507 2.323 0.976 0.496 0.920 0.620 CB 1.463 33 residues pruned to eliminate duplicates H: 11 22.685 1.955 0.823 0.760 1.000 0.800 CB 1.598 I: 90 47.803 2.196 0.869 0.519 0.865 0.607 CB 1.400 12 residues pruned to eliminate duplicates J: 16 25.643 2.311 0.749 0.467 1.000 0.533 CA 1.694 K: 11 8.420 2.161 0.353 0.375 0.700 0.400 CA 1.486 L: 42 36.916 2.249 0.919 0.511 0.878 0.610 CB 1.505 42 residues pruned to eliminate duplicates M: 34 35.868 2.361 1.060 0.444 0.879 0.636 CB 1.547 18 residues pruned to eliminate duplicates N: 14 21.926 2.183 0.931 0.629 0.846 0.615 CB 1.510 O: 22 20.947 1.873 0.904 0.624 0.857 0.762 CB 1.331 P: 71 38.657 2.260 0.592 0.446 0.871 0.500 CB 1.558 35 residues pruned to eliminate duplicates Q: 41 36.159 2.320 0.916 0.511 0.825 0.575 CB 1.542 41 residues pruned to eliminate duplicates R: 21 24.204 2.144 0.931 0.487 0.850 0.550 CB 1.558 21 residues pruned to eliminate duplicates S: 16 20.057 2.265 0.607 0.456 0.867 0.400 CB 1.718 16 residues pruned to eliminate duplicates T: 47 37.388 2.338 0.746 0.457 0.891 0.609 CB 1.584 47 residues pruned to eliminate duplicates U: 52 43.632 2.334 0.904 0.507 0.863 0.510 CB 1.583 40 residues pruned to eliminate duplicates V: 63 51.102 2.365 0.917 0.555 0.871 0.581 CB 1.557 65 residues pruned to eliminate duplicates W: 24 18.934 1.777 0.735 0.619 0.913 0.696 CB 1.253 24 residues pruned to eliminate duplicates X: 12 12.062 1.982 1.020 0.351 0.727 0.545 CA 1.467 8 residues pruned to eliminate duplicates Y: 53 42.814 2.304 0.981 0.508 0.904 0.635 CB 1.428 53 residues pruned to eliminate duplicates Z: 27 20.322 2.031 0.698 0.445 0.846 0.692 CB 1.445 Z: 64 53.070 2.358 0.984 0.558 0.841 0.635 CB 1.606 64 residues pruned to eliminate duplicates Z: 25 19.968 1.993 0.644 0.399 1.000 0.542 CB 1.383 25 residues pruned to eliminate duplicates Z: 26 28.842 2.232 1.143 0.596 0.800 0.560 CB 1.376 26 residues pruned to eliminate duplicates Z: 22 29.070 2.275 1.129 0.442 0.857 0.571 CB 1.621 22 residues pruned to eliminate duplicates Z: 68 30.274 2.210 0.705 0.404 0.791 0.478 CB 1.373 62 residues pruned to eliminate duplicates Z: 65 42.160 2.294 0.727 0.433 0.922 0.578 CB 1.547 92 residues pruned to eliminate duplicates Z: 61 40.643 2.280 0.910 0.464 0.867 0.617 CB 1.443 61 residues pruned to eliminate duplicates Z: 12 29.854 2.362 1.034 0.716 0.909 0.727 CB 1.696 12 residues pruned to eliminate duplicates Z: 36 24.451 2.022 0.686 0.499 0.886 0.657 CB 1.371 Z: 64 58.186 2.385 1.017 0.552 0.889 0.603 CB 1.630 64 residues pruned to eliminate duplicates Z: 11 18.200 1.944 0.799 0.766 0.800 0.500 CA 1.624 Z: 54 41.832 2.316 0.787 0.457 0.906 0.585 CB 1.601 54 residues pruned to eliminate duplicates Z: 70 52.702 2.314 0.930 0.553 0.870 0.594 CB 1.552 70 residues pruned to eliminate duplicates Z: 18 8.316 1.941 0.669 0.246 0.588 0.294 CB 1.419 Z: 9 16.508 2.081 1.101 0.644 0.875 0.750 CB 1.334 9 residues pruned to eliminate duplicates Z: 20 23.920 2.145 0.863 0.532 0.947 0.737 CB 1.405 18 residues pruned to eliminate duplicates Z: 57 39.493 2.303 0.823 0.469 0.875 0.571 CB 1.483 57 residues pruned to eliminate duplicates Z: 52 35.793 2.247 0.880 0.454 0.882 0.529 CB 1.411 52 residues pruned to eliminate duplicates Z: 38 25.389 2.126 0.843 0.444 0.838 0.568 CB 1.347 38 residues pruned to eliminate duplicates Z: 10 6.538 1.895 0.312 0.377 0.778 0.556 CA 1.285 10 residues pruned to eliminate duplicates Z: 20 13.716 2.173 0.573 0.369 0.842 0.368 CB 1.257 20 residues pruned to eliminate duplicates Z: 16 24.825 1.920 0.885 0.662 1.000 0.667 CA 1.524 Z: 11 13.429 2.256 0.665 0.336 1.000 0.700 CB 1.352 11 residues pruned to eliminate duplicates Z: 69 46.380 2.251 0.902 0.488 0.882 0.588 CB 1.507 68 residues pruned to eliminate duplicates Z: 68 46.328 2.336 0.682 0.446 0.925 0.552 CB 1.646 70 residues pruned to eliminate duplicates Z: 53 43.254 2.358 0.781 0.455 0.904 0.635 CB 1.655 53 residues pruned to eliminate duplicates Z: 17 11.155 2.069 0.290 0.333 0.938 0.562 CB 1.338 17 residues pruned to eliminate duplicates Z: 13 26.009 2.198 0.988 0.689 0.917 0.667 CB 1.577 13 residues pruned to eliminate duplicates Z: 7 3.734 1.858 0.107 0.380 1.000 0.500 CB 0.842 7 residues pruned to eliminate duplicates Z: 75 44.745 2.274 0.751 0.501 0.851 0.581 CB 1.532 75 residues pruned to eliminate duplicates Z: 41 49.285 2.392 1.074 0.540 0.875 0.575 CB 1.726 41 residues pruned to eliminate duplicates Z: 58 45.764 2.271 0.743 0.455 0.965 0.632 CB 1.661 58 residues pruned to eliminate duplicates Z: 16 29.642 2.003 0.903 0.758 1.000 0.933 CB 1.596 16 residues pruned to eliminate duplicates Z: 56 47.893 2.331 0.727 0.464 0.982 0.618 CB 1.696 56 residues pruned to eliminate duplicates Z: 87 47.926 2.315 0.844 0.494 0.837 0.535 CB 1.455 87 residues pruned to eliminate duplicates Z: 87 56.336 2.339 0.913 0.506 0.884 0.547 CB 1.527 87 residues pruned to eliminate duplicates Z: 101 47.627 2.182 0.810 0.474 0.890 0.610 CB 1.391 101 residues pruned to eliminate duplicates Z: 33 22.991 2.073 0.949 0.415 0.875 0.594 CB 1.256 33 residues pruned to eliminate duplicates Z: 14 15.744 1.985 1.214 0.440 0.846 0.538 CB 1.249 13 residues pruned to eliminate duplicates Z: 69 52.578 2.273 0.959 0.537 0.897 0.574 CB 1.540 69 residues pruned to eliminate duplicates Z: 6 13.929 1.960 0.552 0.829 1.000 0.800 CA 1.541 6 residues pruned to eliminate duplicates Z: 87 54.435 2.316 0.932 0.513 0.872 0.581 CB 1.485 87 residues pruned to eliminate duplicates Z: 10 26.758 2.046 1.043 0.870 1.000 0.444 CA 1.557 11 residues pruned to eliminate duplicates Z: 22 28.934 2.292 0.885 0.509 0.905 0.714 CA 1.601 22 residues pruned to eliminate duplicates Z: 60 43.518 2.287 0.996 0.443 0.915 0.559 CB 1.437 60 residues pruned to eliminate duplicates Z: 33 33.792 2.277 0.628 0.495 0.969 0.562 CB 1.673 33 residues pruned to eliminate duplicates Z: 8 8.640 2.321 0.202 0.412 0.857 0.571 CB 1.497 8 residues pruned to eliminate duplicates Z: 53 29.413 1.961 0.853 0.456 0.865 0.577 CB 1.357 60 residues pruned to eliminate duplicates Z: 48 42.429 2.295 0.932 0.536 0.872 0.702 CB 1.545 48 residues pruned to eliminate duplicates Z: 53 28.769 1.988 0.792 0.491 0.865 0.635 CB 1.306 56 residues pruned to eliminate duplicates Z: 17 16.988 1.865 0.608 0.575 0.875 0.688 CB 1.505 17 residues pruned to eliminate duplicates Z: 21 24.642 2.021 0.748 0.558 0.950 0.550 CB 1.551 21 residues pruned to eliminate duplicates Z: 51 49.234 2.402 0.912 0.548 0.900 0.620 CB 1.607 51 residues pruned to eliminate duplicates Z: 11 7.646 1.874 0.376 0.216 0.900 0.600 CB 1.455 11 residues pruned to eliminate duplicates Z: 19 23.214 2.110 0.925 0.544 0.944 0.722 CB 1.367 19 residues pruned to eliminate duplicates Z: 14 13.940 2.017 0.913 0.334 0.846 0.538 CB 1.420 Z: 11 24.003 2.046 0.943 0.834 0.900 0.500 CB 1.590 11 residues pruned to eliminate duplicates Z: 75 53.508 2.298 1.016 0.529 0.838 0.581 CB 1.556 75 residues pruned to eliminate duplicates Z: 62 46.518 2.249 0.805 0.502 0.934 0.623 CB 1.567 53 residues pruned to eliminate duplicates Z: 7 11.581 1.919 0.564 0.724 1.000 0.500 CA 1.286 7 residues pruned to eliminate duplicates Z: 12 11.146 2.069 0.393 0.473 0.909 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 76 47.560 2.288 0.865 0.481 0.853 0.493 CB 1.538 76 residues pruned to eliminate duplicates Z: 27 13.301 1.824 0.784 0.390 0.808 0.500 CB 1.115 Z: 12 28.896 2.300 0.916 0.676 1.000 0.727 CB 1.682 12 residues pruned to eliminate duplicates Z: 11 12.580 2.167 0.466 0.363 0.900 0.400 CA 1.613 11 residues pruned to eliminate duplicates Z: 75 53.107 2.324 0.719 0.491 0.919 0.581 CB 1.696 75 residues pruned to eliminate duplicates Z: 12 22.541 1.862 0.964 0.823 1.000 0.727 CA 1.404 12 residues pruned to eliminate duplicates Z: 87 53.800 2.305 0.918 0.490 0.884 0.523 CB 1.501 87 residues pruned to eliminate duplicates Z: 12 7.103 1.765 0.620 0.518 0.727 0.727 CA 1.012 12 residues pruned to eliminate duplicates Z: 84 45.282 2.204 0.819 0.501 0.880 0.627 CB 1.408 70 residues pruned to eliminate duplicates Z: 87 51.988 2.335 0.869 0.506 0.860 0.570 CB 1.483 87 residues pruned to eliminate duplicates Z: 22 19.752 2.087 0.741 0.488 0.905 0.714 CB 1.328 22 residues pruned to eliminate duplicates Z: 59 39.394 2.212 0.669 0.438 0.897 0.569 CB 1.665 59 residues pruned to eliminate duplicates Z: 20 14.968 2.018 0.637 0.445 0.789 0.526 CB 1.393 12 residues pruned to eliminate duplicates Z: 54 39.761 2.291 0.635 0.483 0.925 0.509 CB 1.604 54 residues pruned to eliminate duplicates Z: 11 5.044 1.802 0.287 0.403 0.800 0.700 CB 0.952 11 residues pruned to eliminate duplicates Z: 87 44.087 2.230 0.760 0.484 0.860 0.686 CB 1.430 87 residues pruned to eliminate duplicates Z: 7 13.870 1.889 0.605 0.811 1.000 1.000 CB 1.425 7 residues pruned to eliminate duplicates Z: 11 25.941 2.021 0.933 0.888 1.000 0.600 CA 1.513 11 residues pruned to eliminate duplicates Z: 53 49.466 2.364 0.940 0.549 0.865 0.577 CB 1.647 53 residues pruned to eliminate duplicates Z: 38 30.099 2.248 0.624 0.470 0.892 0.595 CB 1.566 38 residues pruned to eliminate duplicates Z: 70 44.833 2.250 0.935 0.479 0.884 0.652 CB 1.433 70 residues pruned to eliminate duplicates Z: 58 43.470 2.327 0.882 0.522 0.877 0.614 CB 1.466 58 residues pruned to eliminate duplicates Z: 33 19.287 2.036 0.464 0.471 0.906 0.656 CB 1.300 24 residues pruned to eliminate duplicates Z: 68 49.203 2.309 0.915 0.477 0.881 0.597 CB 1.580 68 residues pruned to eliminate duplicates Z: 11 7.900 1.825 0.465 0.512 0.800 0.600 CB 1.154 Z: 77 49.288 2.313 0.821 0.489 0.882 0.566 CB 1.539 77 residues pruned to eliminate duplicates Z: 24 27.292 2.269 0.702 0.487 0.957 0.696 CA 1.561 24 residues pruned to eliminate duplicates Z: 11 22.653 1.926 1.049 0.851 0.900 0.500 CA 1.492 11 residues pruned to eliminate duplicates Z: 57 47.672 2.317 0.840 0.542 0.893 0.554 CB 1.606 57 residues pruned to eliminate duplicates Z: 18 16.306 1.985 0.621 0.552 0.882 0.706 CA 1.324 18 residues pruned to eliminate duplicates Z: 86 53.794 2.321 0.886 0.506 0.882 0.600 CB 1.501 86 residues pruned to eliminate duplicates Z: 10 9.479 1.906 0.845 0.483 0.667 0.667 CB 1.371 10 residues pruned to eliminate duplicates Z: 6 8.701 1.734 0.498 0.715 1.000 0.800 C 1.233 6 residues pruned to eliminate duplicates Z: 11 13.179 1.868 0.511 0.604 1.000 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 26 13.974 2.009 0.539 0.484 0.800 0.520 CB 1.148 26 residues pruned to eliminate duplicates Z: 39 23.930 2.082 0.731 0.385 0.816 0.526 CB 1.491 61 residues pruned to eliminate duplicates Z: 20 34.184 2.345 0.840 0.600 1.000 0.842 CB 1.653 20 residues pruned to eliminate duplicates Z: 29 25.765 2.062 0.763 0.507 0.893 0.607 CB 1.490 29 residues pruned to eliminate duplicates Z: 28 28.552 2.100 0.768 0.532 0.889 0.593 CB 1.615 28 residues pruned to eliminate duplicates Z: 85 46.584 2.276 0.749 0.446 0.869 0.536 CB 1.553 85 residues pruned to eliminate duplicates Z: 55 50.115 2.387 0.882 0.570 0.889 0.593 CB 1.596 55 residues pruned to eliminate duplicates Z: 126 53.919 2.159 0.776 0.478 0.840 0.552 CB 1.530 143 residues pruned to eliminate duplicates Z: 79 48.352 2.262 0.835 0.507 0.833 0.538 CB 1.571 79 residues pruned to eliminate duplicates Z: 51 29.387 2.017 0.766 0.516 0.880 0.640 CB 1.304 25 residues pruned to eliminate duplicates Z: 26 14.395 2.042 0.436 0.292 0.920 0.680 CB 1.348 26 residues pruned to eliminate duplicates Z: 19 25.732 2.185 0.867 0.602 1.000 0.778 CB 1.349 19 residues pruned to eliminate duplicates Z: 33 24.690 2.027 0.713 0.474 0.875 0.562 CB 1.475 33 residues pruned to eliminate duplicates Z: 11 4.983 1.839 0.739 0.188 0.600 0.300 CA 1.193 11 residues pruned to eliminate duplicates Z: 21 22.793 1.903 0.907 0.610 0.900 0.800 CB 1.405 21 residues pruned to eliminate duplicates Z: 50 31.457 2.022 0.709 0.541 0.939 0.592 CB 1.330 50 residues pruned to eliminate duplicates Z: 26 20.767 2.175 0.811 0.529 0.840 0.720 CB 1.220 26 residues pruned to eliminate duplicates Z: 16 22.106 1.975 0.510 0.726 1.000 0.733 CB 1.560 16 residues pruned to eliminate duplicates Z: 47 38.358 2.322 0.840 0.505 0.870 0.587 CB 1.515 47 residues pruned to eliminate duplicates Z: 19 24.041 2.175 0.954 0.545 0.944 0.778 CB 1.351 19 residues pruned to eliminate duplicates Z: 61 39.894 2.287 0.846 0.478 0.867 0.617 CB 1.439 61 residues pruned to eliminate duplicates Z: 19 23.078 1.862 0.726 0.606 1.000 0.722 CB 1.530 19 residues pruned to eliminate duplicates Z: 31 17.730 1.838 0.436 0.514 0.867 0.633 CB 1.396 31 residues pruned to eliminate duplicates Z: 19 25.142 2.213 0.853 0.561 1.000 0.778 CB 1.361 19 residues pruned to eliminate duplicates Z: 8 16.042 2.028 0.780 0.666 1.000 0.857 CB 1.440 Z: 72 48.977 2.231 0.891 0.540 0.915 0.620 CB 1.446 38 residues pruned to eliminate duplicates Z: 35 45.847 2.353 1.143 0.627 0.882 0.647 CB 1.569 35 residues pruned to eliminate duplicates Z: 27 27.061 2.154 0.679 0.552 0.885 0.577 CB 1.577 27 residues pruned to eliminate duplicates Z: 23 22.179 1.908 0.724 0.554 0.955 0.727 CB 1.430 23 residues pruned to eliminate duplicates Z: 8 3.819 1.480 0.425 0.287 0.857 0.429 N 1.015 8 residues pruned to eliminate duplicates Z: 16 22.564 1.953 0.638 0.708 1.000 0.867 CB 1.508 16 residues pruned to eliminate duplicates Z: 42 32.855 2.203 0.562 0.481 0.951 0.610 CB 1.599 42 residues pruned to eliminate duplicates Z: 10 23.543 2.057 1.131 0.862 0.889 0.556 CB 1.479 10 residues pruned to eliminate duplicates Z: 59 32.846 2.204 0.754 0.429 0.862 0.569 CB 1.393 59 residues pruned to eliminate duplicates Z: 17 14.478 2.027 0.489 0.431 0.875 0.375 CB 1.471 17 residues pruned to eliminate duplicates Z: 6 11.555 1.853 0.768 0.680 1.000 0.800 CB 1.337 6 residues pruned to eliminate duplicates Z: 14 12.501 2.107 0.644 0.403 0.769 0.462 CB 1.441 14 residues pruned to eliminate duplicates Z: 59 37.990 2.263 0.897 0.474 0.845 0.621 CB 1.413 59 residues pruned to eliminate duplicates Z: 24 19.705 2.005 0.873 0.462 0.913 0.522 CB 1.246 24 residues pruned to eliminate duplicates Z: 39 23.253 1.970 0.709 0.480 0.868 0.553 CB 1.316 39 residues pruned to eliminate duplicates Z: 41 33.510 2.206 0.625 0.485 0.925 0.575 CA 1.621 41 residues pruned to eliminate duplicates Z: 58 42.253 2.284 0.925 0.518 0.842 0.526 CB 1.485 58 residues pruned to eliminate duplicates Z: 9 8.213 1.877 0.286 0.633 0.875 0.875 CA 1.214 9 residues pruned to eliminate duplicates Z: 27 21.479 2.270 0.673 0.411 0.846 0.500 CB 1.438 27 residues pruned to eliminate duplicates Z: 6 4.051 1.877 0.346 0.512 0.800 0.600 CB 0.886 6 residues pruned to eliminate duplicates Z: 12 17.706 1.993 0.564 0.808 1.000 0.727 CB 1.309 Z: 8 8.570 1.931 0.687 0.571 0.714 0.571 CB 1.299 8 residues pruned to eliminate duplicates Z: 11 16.116 1.879 0.751 0.676 0.900 0.700 CB 1.464 11 residues pruned to eliminate duplicates Z: 9 4.265 1.617 0.006 0.618 0.875 0.625 CB 0.947 8 residues pruned to eliminate duplicates Z: 21 32.832 2.276 1.279 0.526 0.850 0.700 CA 1.623 21 residues pruned to eliminate duplicates Z: 21 22.471 1.897 0.829 0.560 0.950 0.750 CB 1.439 21 residues pruned to eliminate duplicates Z: 25 21.914 2.038 0.847 0.484 0.917 0.625 CB 1.317 25 residues pruned to eliminate duplicates Z: 8 9.050 1.667 0.679 0.494 1.000 0.714 CB 1.229 8 residues pruned to eliminate duplicates Z: 17 24.510 2.261 0.664 0.521 1.000 0.562 CB 1.595 17 residues pruned to eliminate duplicates Z: 11 11.022 1.977 0.636 0.618 0.700 0.600 CB 1.378 11 residues pruned to eliminate duplicates Z: 60 50.475 2.345 1.002 0.508 0.864 0.559 CB 1.606 55 residues pruned to eliminate duplicates Z: 9 12.322 2.067 0.947 0.404 0.875 0.500 CB 1.368 9 residues pruned to eliminate duplicates Z: 10 22.270 2.022 0.969 0.823 0.889 0.778 CA 1.586 10 residues pruned to eliminate duplicates Z: 12 16.443 1.959 0.634 0.886 0.909 0.818 CB 1.229 11 residues pruned to eliminate duplicates Z: 12 25.213 1.934 1.056 0.856 0.909 0.636 CB 1.551 12 residues pruned to eliminate duplicates Z: 69 43.221 2.268 0.801 0.487 0.926 0.618 CB 1.404 69 residues pruned to eliminate duplicates Z: 17 23.713 1.925 0.738 0.626 1.000 0.750 CA 1.574 17 residues pruned to eliminate duplicates Z: 12 15.775 1.980 0.496 0.844 1.000 0.909 CB 1.194 12 residues pruned to eliminate duplicates Z: 34 17.663 1.797 0.556 0.461 0.909 0.576 CB 1.259 34 residues pruned to eliminate duplicates Z: 23 17.959 1.818 0.551 0.567 0.955 0.727 CB 1.333 23 residues pruned to eliminate duplicates Z: 12 14.864 1.869 0.565 0.707 0.909 0.818 CB 1.397 11 residues pruned to eliminate duplicates Z: 31 26.656 1.985 0.881 0.511 0.867 0.567 CB 1.487 31 residues pruned to eliminate duplicates Z: 14 4.924 1.690 0.388 0.273 0.846 0.385 CB 0.889 14 residues pruned to eliminate duplicates Z: 13 8.128 1.955 0.804 0.291 0.667 0.333 CB 1.261 13 residues pruned to eliminate duplicates Z: 61 33.494 2.178 0.573 0.466 0.850 0.550 CB 1.537 61 residues pruned to eliminate duplicates Z: 25 30.638 2.148 0.937 0.540 0.875 0.667 CB 1.652 25 residues pruned to eliminate duplicates Z: 19 16.940 2.006 0.497 0.489 0.889 0.556 CB 1.513 19 residues pruned to eliminate duplicates Z: 15 8.960 2.199 0.208 0.328 0.857 0.357 CB 1.269 10 residues pruned to eliminate duplicates Z: 40 31.599 2.226 0.532 0.469 0.923 0.538 CB 1.660 40 residues pruned to eliminate duplicates Z: 19 11.779 2.133 0.437 0.399 0.833 0.556 CB 1.210 19 residues pruned to eliminate duplicates Z: 7 4.289 1.565 0.295 0.469 0.833 0.833 CA 1.070 Z: 16 28.172 2.004 0.835 0.715 1.000 0.800 CA 1.628 16 residues pruned to eliminate duplicates Z: 11 6.474 1.925 0.410 0.387 0.700 0.500 CB 1.215 11 residues pruned to eliminate duplicates Z: 25 12.873 2.098 0.425 0.393 0.792 0.542 CB 1.244 25 residues pruned to eliminate duplicates Z: 11 24.798 2.213 0.733 0.853 1.000 0.700 CA 1.511 11 residues pruned to eliminate duplicates Z: 10 10.116 1.832 0.378 0.572 1.000 0.444 CB 1.247 10 residues pruned to eliminate duplicates Z: 84 59.817 2.279 0.868 0.501 0.928 0.578 CB 1.660 84 residues pruned to eliminate duplicates Z: 6 2.513 1.633 -0.179 0.487 1.000 0.600 CB 0.850 Z: 23 16.757 2.250 0.513 0.369 0.909 0.682 CB 1.327 23 residues pruned to eliminate duplicates Z: 11 3.515 1.560 0.141 0.391 0.700 0.400 N 1.002 Z: 35 31.447 2.264 0.543 0.493 0.971 0.618 CB 1.602 35 residues pruned to eliminate duplicates Z: 7 10.199 2.228 0.425 0.554 0.833 0.667 CB 1.494 Z: 12 19.327 1.979 0.669 0.823 1.000 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 14 11.490 1.934 0.716 0.582 0.846 0.538 CB 1.049 14 residues pruned to eliminate duplicates Z: 62 38.417 2.196 0.568 0.458 0.934 0.557 CB 1.597 62 residues pruned to eliminate duplicates Z: 11 7.558 1.694 -0.058 0.655 0.900 0.600 CB 1.442 Z: 13 11.416 1.788 0.504 0.592 0.917 0.750 CB 1.224 13 residues pruned to eliminate duplicates Z: 19 18.778 2.101 0.444 0.437 1.000 0.722 CB 1.557 19 residues pruned to eliminate duplicates Z: 81 49.099 2.255 0.886 0.488 0.838 0.525 CB 1.560 81 residues pruned to eliminate duplicates Z: 11 15.312 2.102 0.590 0.594 0.900 0.800 CA 1.472 11 residues pruned to eliminate duplicates Z: 7 5.456 1.696 0.276 0.795 0.667 0.500 CB 1.192 7 residues pruned to eliminate duplicates Z: 25 14.629 1.832 0.388 0.506 0.875 0.625 CB 1.334 25 residues pruned to eliminate duplicates Z: 14 9.859 1.678 0.547 0.610 0.846 0.692 CB 1.122 14 residues pruned to eliminate duplicates Z: 7 4.522 1.685 0.184 0.765 0.667 0.500 CB 1.097 7 residues pruned to eliminate duplicates Z: 9 11.725 1.873 0.699 0.599 1.000 0.625 CB 1.184 8 residues pruned to eliminate duplicates Z: 12 16.568 1.998 0.770 0.788 0.909 0.636 CB 1.206 12 residues pruned to eliminate duplicates Z: 10 7.530 1.817 0.376 0.472 0.778 0.556 CA 1.328 10 residues pruned to eliminate duplicates Z: 20 16.453 1.927 0.745 0.462 0.895 0.579 CB 1.305 25 residues pruned to eliminate duplicates Z: 30 37.907 2.289 1.023 0.577 0.862 0.586 CB 1.637 30 residues pruned to eliminate duplicates Z: 13 7.723 1.920 0.226 0.506 0.750 0.417 CA 1.255 13 residues pruned to eliminate duplicates Z: 81 53.813 2.280 0.952 0.521 0.875 0.575 CB 1.513 84 residues pruned to eliminate duplicates Z: 15 16.505 2.078 0.590 0.515 0.857 0.500 CA 1.534 15 residues pruned to eliminate duplicates Z: 21 14.253 2.089 0.220 0.461 0.900 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 8 5.882 1.793 0.482 0.491 0.857 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 23 20.737 1.875 0.848 0.597 0.909 0.773 CB 1.280 23 residues pruned to eliminate duplicates Z: 13 18.847 1.722 1.089 0.763 0.917 0.583 CA 1.305 13 residues pruned to eliminate duplicates Z: 41 35.749 2.190 0.788 0.485 0.875 0.575 CB 1.674 41 residues pruned to eliminate duplicates Z: 41 31.564 2.189 0.927 0.537 0.850 0.600 CB 1.343 41 residues pruned to eliminate duplicates Z: 42 22.544 2.034 0.678 0.466 0.854 0.585 CB 1.251 42 residues pruned to eliminate duplicates Z: 14 13.676 2.233 0.855 0.338 0.846 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 20 19.051 2.101 1.083 0.447 0.842 0.684 CB 1.252 20 residues pruned to eliminate duplicates Z: 10 10.958 2.178 0.522 0.454 0.778 0.556 CB 1.486 10 residues pruned to eliminate duplicates Z: 8 8.958 1.641 0.609 0.626 1.000 0.571 CA 1.139 7 residues pruned to eliminate duplicates Z: 23 15.447 2.168 0.336 0.461 0.864 0.636 CB 1.371 23 residues pruned to eliminate duplicates Z: 8 15.065 2.152 0.485 0.603 1.000 0.429 CA 1.615 8 residues pruned to eliminate duplicates Z: 26 26.698 2.324 0.606 0.482 0.960 0.720 CB 1.516 26 residues pruned to eliminate duplicates Z: 12 19.398 1.845 1.182 0.832 0.818 0.636 CA 1.334 11 residues pruned to eliminate duplicates Z: 29 28.037 2.179 0.787 0.521 0.893 0.607 CB 1.492 29 residues pruned to eliminate duplicates Z: 18 25.288 2.232 0.813 0.569 0.941 0.647 CB 1.506 18 residues pruned to eliminate duplicates Z: 20 25.541 2.187 0.813 0.543 0.947 0.684 CB 1.496 20 residues pruned to eliminate duplicates Z: 9 6.339 1.818 0.707 0.408 0.750 0.500 CB 1.061 6 residues pruned to eliminate duplicates Z: 8 9.453 1.846 0.811 0.541 0.714 0.714 CB 1.437 8 residues pruned to eliminate duplicates Z: 27 31.195 2.205 0.988 0.551 0.885 0.577 CB 1.500 27 residues pruned to eliminate duplicates Z: 29 20.646 1.838 0.795 0.537 0.857 0.571 CB 1.331 29 residues pruned to eliminate duplicates Z: 54 46.655 2.345 0.996 0.513 0.830 0.623 CB 1.628 54 residues pruned to eliminate duplicates Z: 7 7.209 2.346 0.616 0.395 0.667 0.333 CB 1.302 7 residues pruned to eliminate duplicates Z: 53 47.736 2.343 0.884 0.543 0.904 0.558 CB 1.591 53 residues pruned to eliminate duplicates Z: 29 18.526 2.118 0.591 0.424 0.821 0.536 CB 1.369 29 residues pruned to eliminate duplicates Z: 13 8.174 1.730 0.553 0.432 0.750 0.500 CA 1.257 13 residues pruned to eliminate duplicates Z: 25 18.519 1.813 0.603 0.567 0.917 0.708 CB 1.330 25 residues pruned to eliminate duplicates Z: 11 14.866 1.903 0.800 0.646 0.800 0.700 CB 1.497 11 residues pruned to eliminate duplicates Z: 36 24.692 2.150 0.570 0.387 0.914 0.514 CB 1.524 36 residues pruned to eliminate duplicates Z: 8 11.372 2.044 1.041 0.562 1.000 0.857 CA 0.970 8 residues pruned to eliminate duplicates Z: 57 35.543 2.216 0.802 0.484 0.893 0.625 CB 1.354 57 residues pruned to eliminate duplicates Z: 7 3.589 1.787 -0.279 0.879 1.000 1.000 CB 0.825 Z: 9 5.929 1.595 0.268 0.443 0.875 0.625 O 1.256 Z: 6 3.706 1.684 0.139 0.328 0.800 0.400 CB 1.305 Z: 12 17.748 1.906 0.685 0.784 1.000 0.455 CB 1.298 12 residues pruned to eliminate duplicates Z: 14 14.662 2.149 0.543 0.463 0.846 0.462 CA 1.506 14 residues pruned to eliminate duplicates Z: 31 26.401 2.085 0.714 0.523 0.900 0.533 CB 1.466 31 residues pruned to eliminate duplicates Z: 14 7.661 1.610 0.442 0.478 0.769 0.538 CB 1.216 14 residues pruned to eliminate duplicates Z: 40 23.941 1.988 0.817 0.480 0.872 0.667 CB 1.243 40 residues pruned to eliminate duplicates Z: 13 22.009 2.022 0.857 0.837 1.000 0.750 CB 1.265 13 residues pruned to eliminate duplicates Z: 8 11.526 2.051 0.620 0.428 0.857 0.571 CA 1.647 8 residues pruned to eliminate duplicates Z: 28 25.105 2.105 0.627 0.529 0.852 0.593 CA 1.610 28 residues pruned to eliminate duplicates Z: 26 19.176 2.147 0.717 0.471 0.800 0.640 CB 1.339 26 residues pruned to eliminate duplicates Z: 21 15.638 2.030 0.510 0.465 0.800 0.400 CB 1.479 21 residues pruned to eliminate duplicates Z: 19 28.424 2.184 1.031 0.542 1.000 0.722 CB 1.450 19 residues pruned to eliminate duplicates Z: 18 21.458 2.050 0.694 0.616 0.824 0.706 CB 1.631 18 residues pruned to eliminate duplicates Z: 82 39.575 2.195 0.758 0.474 0.852 0.580 CB 1.374 88 residues pruned to eliminate duplicates Z: 11 16.558 1.904 0.669 0.669 1.000 0.800 CB 1.409 11 residues pruned to eliminate duplicates Z: 13 15.108 2.193 0.617 0.606 0.750 0.500 CB 1.482 13 residues pruned to eliminate duplicates Z: 77 44.065 2.276 0.781 0.483 0.882 0.605 CB 1.438 77 residues pruned to eliminate duplicates Z: 12 10.429 1.817 0.770 0.393 1.000 0.636 CB 1.095 12 residues pruned to eliminate duplicates Z: 34 20.409 1.908 0.772 0.498 0.818 0.576 CB 1.287 34 residues pruned to eliminate duplicates Z: 24 15.622 2.047 0.673 0.394 0.826 0.565 CB 1.287 24 residues pruned to eliminate duplicates Z: 13 8.063 1.826 0.347 0.438 0.833 0.500 CA 1.210 13 residues pruned to eliminate duplicates Z: 34 31.883 2.243 0.878 0.538 0.848 0.455 CB 1.496 34 residues pruned to eliminate duplicates Z: 59 45.617 2.320 0.909 0.520 0.897 0.621 CB 1.479 59 residues pruned to eliminate duplicates Z: 10 9.552 1.793 0.242 0.645 0.889 0.556 CA 1.405 10 residues pruned to eliminate duplicates Z: 11 9.966 1.820 0.584 0.517 0.800 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 69 46.461 2.326 0.877 0.467 0.868 0.515 CB 1.538 69 residues pruned to eliminate duplicates Z: 27 21.079 2.059 0.594 0.448 0.923 0.500 CB 1.439 27 residues pruned to eliminate duplicates Z: 47 23.663 2.172 0.657 0.380 0.826 0.500 CB 1.334 47 residues pruned to eliminate duplicates Z: 65 49.223 2.310 1.044 0.541 0.828 0.594 CB 1.512 65 residues pruned to eliminate duplicates Z: 44 36.965 2.255 0.707 0.549 0.953 0.628 CB 1.464 44 residues pruned to eliminate duplicates Z: 10 13.211 2.080 0.717 0.524 0.778 0.444 CA 1.547 10 residues pruned to eliminate duplicates Z: 24 20.005 2.165 0.678 0.479 0.913 0.522 CB 1.284 24 residues pruned to eliminate duplicates Z: 11 11.136 1.887 0.610 0.501 0.900 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 15 18.546 2.131 0.778 0.422 1.000 0.643 CB 1.419 15 residues pruned to eliminate duplicates Z: 13 13.408 1.769 0.825 0.540 0.917 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 29 22.428 2.032 0.715 0.491 0.929 0.679 CB 1.322 29 residues pruned to eliminate duplicates Z: 15 24.613 1.939 0.857 0.681 0.929 0.786 CB 1.666 15 residues pruned to eliminate duplicates Z: 28 35.379 2.291 0.721 0.531 0.963 0.519 CB 1.739 28 residues pruned to eliminate duplicates Z: 23 22.520 1.916 0.679 0.561 1.000 0.773 CB 1.407 23 residues pruned to eliminate duplicates Z: 9 2.410 1.409 0.462 0.262 0.875 0.375 N 0.621 9 residues pruned to eliminate duplicates Z: 21 16.391 2.047 0.453 0.466 0.900 0.750 CA 1.417 21 residues pruned to eliminate duplicates Z: 45 26.392 2.114 0.731 0.394 0.841 0.523 CB 1.446 45 residues pruned to eliminate duplicates Z: 23 22.123 1.858 0.848 0.626 0.909 0.682 CB 1.342 23 residues pruned to eliminate duplicates Z: 26 44.180 2.363 1.121 0.627 0.880 0.720 CB 1.777 26 residues pruned to eliminate duplicates Z: 38 29.689 2.230 0.830 0.428 0.892 0.541 CB 1.445 38 residues pruned to eliminate duplicates Z: 51 38.885 2.298 0.950 0.493 0.860 0.640 CB 1.437 51 residues pruned to eliminate duplicates Z: 35 38.310 2.219 0.887 0.512 0.941 0.706 CB 1.647 35 residues pruned to eliminate duplicates Z: 7 6.055 1.529 1.204 0.681 0.833 0.333 CB 0.745 7 residues pruned to eliminate duplicates 6 1.933 1.477 -0.217 0.677 0.800 0.800 N 0.794 ? Z: 9 13.838 1.931 0.433 0.599 1.000 0.625 CB 1.610 9 residues pruned to eliminate duplicates Z: 57 43.156 2.264 0.871 0.540 0.839 0.625 CB 1.560 57 residues pruned to eliminate duplicates Z: 11 8.909 1.896 0.325 0.650 0.800 0.600 CB 1.219 Z: 6 10.415 1.970 0.319 0.746 1.000 1.000 CA 1.439 6 residues pruned to eliminate duplicates Z: 12 7.406 1.618 0.525 0.597 0.909 0.636 CB 0.907 Z: 22 16.123 2.132 0.440 0.441 0.905 0.571 CB 1.346 22 residues pruned to eliminate duplicates Z: 18 10.959 1.924 0.557 0.350 0.824 0.353 CB 1.267 18 residues pruned to eliminate duplicates Z: 21 14.596 1.947 0.659 0.427 0.850 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 10 17.995 2.277 0.617 0.859 0.778 0.667 CB 1.541 10 residues pruned to eliminate duplicates Z: 7 5.032 1.457 0.037 0.741 1.000 0.833 CA 1.096 7 residues pruned to eliminate duplicates Z: 8 12.070 1.979 0.668 0.643 1.000 0.714 CB 1.209 9 residues pruned to eliminate duplicates Z: 10 24.070 2.078 0.851 0.895 0.889 0.667 CA 1.682 11 residues pruned to eliminate duplicates Z: 29 18.511 2.056 0.546 0.447 0.857 0.607 CB 1.356 29 residues pruned to eliminate duplicates Z: 11 20.619 2.136 0.499 0.895 1.000 0.700 CA 1.459 11 residues pruned to eliminate duplicates Z: 11 17.132 1.866 0.699 0.739 1.000 0.700 CB 1.380 9 residues pruned to eliminate duplicates Z: 31 26.678 2.013 0.769 0.517 0.833 0.600 CA 1.613 31 residues pruned to eliminate duplicates Z: 8 2.648 1.483 0.515 0.222 0.714 0.286 CB 0.864 Z: 9 15.313 1.982 0.529 0.726 1.000 0.750 CA 1.457 9 residues pruned to eliminate duplicates Z: 57 47.550 2.324 0.953 0.558 0.857 0.589 CB 1.544 57 residues pruned to eliminate duplicates Z: 26 16.779 1.684 0.509 0.590 1.000 0.720 CB 1.211 26 residues pruned to eliminate duplicates Z: 12 6.041 1.594 0.641 0.378 0.818 0.455 CB 0.969 12 residues pruned to eliminate duplicates Z: 25 18.411 1.891 0.530 0.529 0.958 0.583 CB 1.316 25 residues pruned to eliminate duplicates Z: 12 7.306 1.821 0.295 0.230 0.909 0.455 CB 1.408 12 residues pruned to eliminate duplicates Z: 18 14.599 1.966 1.005 0.469 0.765 0.588 CB 1.213 18 residues pruned to eliminate duplicates Z: 6 2.580 1.527 -0.137 0.675 1.000 0.800 CB 0.745 6 residues pruned to eliminate duplicates Z: 27 22.686 2.169 0.505 0.501 0.962 0.538 CB 1.416 27 residues pruned to eliminate duplicates Z: 11 4.267 1.676 -0.302 0.798 0.900 0.800 CB 0.988 10 residues pruned to eliminate duplicates Z: 42 22.704 2.061 0.696 0.482 0.829 0.634 CB 1.245 43 residues pruned to eliminate duplicates Z: 22 18.046 1.785 0.731 0.551 0.905 0.714 CB 1.340 22 residues pruned to eliminate duplicates Z: 29 22.338 2.001 0.669 0.526 0.929 0.643 CB 1.328 29 residues pruned to eliminate duplicates Z: 7 7.232 1.701 0.205 0.839 1.000 0.833 CB 1.076 Z: 6 2.070 1.485 0.109 0.439 0.600 0.400 O 0.998 Z: 12 12.429 1.753 0.551 0.528 0.909 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 21 17.956 1.823 0.667 0.622 0.850 0.850 CB 1.385 21 residues pruned to eliminate duplicates Z: 34 15.870 1.897 0.702 0.445 0.788 0.576 CB 1.149 34 residues pruned to eliminate duplicates Z: 25 13.464 1.862 0.630 0.472 0.875 0.542 CB 1.065 23 residues pruned to eliminate duplicates Z: 11 10.437 2.055 0.495 0.378 0.900 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 28 7.521 1.697 0.234 0.327 0.815 0.370 CB 1.027 42 residues pruned to eliminate duplicates Z: 6 3.425 1.568 -0.273 0.640 1.000 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 35 28.141 1.934 0.707 0.600 0.941 0.735 CB 1.412 48 residues pruned to eliminate duplicates Z: 12 14.933 1.982 0.583 0.753 0.909 0.545 CB 1.260 Z: 23 11.178 1.743 0.513 0.477 0.773 0.591 CB 1.197 23 residues pruned to eliminate duplicates Z: 6 2.949 1.478 1.204 0.471 0.600 0.600 CB 0.695 Z: 15 13.625 2.015 0.553 0.574 0.786 0.571 CB 1.379 15 residues pruned to eliminate duplicates Z: 12 18.358 2.074 0.884 0.529 0.909 0.455 CA 1.514 12 residues pruned to eliminate duplicates Z: 11 25.231 1.995 0.792 0.919 1.000 0.800 CA 1.573 10 residues pruned to eliminate duplicates Z: 78 43.963 2.251 0.770 0.483 0.883 0.597 CB 1.448 78 residues pruned to eliminate duplicates Z: 59 41.918 2.274 0.922 0.463 0.879 0.603 CB 1.488 59 residues pruned to eliminate duplicates Z: 13 17.212 1.980 0.664 0.791 0.917 0.750 CB 1.275 14 residues pruned to eliminate duplicates Z: 12 13.079 2.189 0.866 0.345 0.727 0.455 CA 1.571 12 residues pruned to eliminate duplicates Z: 8 6.602 1.806 0.228 0.515 0.857 0.714 CB 1.292 8 residues pruned to eliminate duplicates Z: 20 14.345 1.881 0.498 0.488 0.842 0.632 CB 1.404 20 residues pruned to eliminate duplicates Z: 21 14.305 1.990 0.554 0.336 0.800 0.450 CA 1.547 21 residues pruned to eliminate duplicates Z: 16 12.901 1.881 0.740 0.403 0.800 0.467 CB 1.409 16 residues pruned to eliminate duplicates Z: 19 34.015 2.411 0.905 0.584 1.000 0.833 CB 1.611 19 residues pruned to eliminate duplicates Z: 13 5.751 1.756 0.164 0.429 0.917 0.583 CB 0.954 13 residues pruned to eliminate duplicates Z: 21 18.691 1.841 0.742 0.604 0.850 0.750 CB 1.388 21 residues pruned to eliminate duplicates Z: 11 18.183 1.946 0.920 0.709 1.000 0.800 CA 1.273 11 residues pruned to eliminate duplicates Z: 40 38.776 2.252 0.803 0.533 0.897 0.641 CB 1.650 40 residues pruned to eliminate duplicates Z: 69 43.416 2.280 0.729 0.504 0.897 0.632 CB 1.483 69 residues pruned to eliminate duplicates Z: 23 16.050 2.187 0.629 0.364 0.909 0.455 CB 1.224 17 residues pruned to eliminate duplicates Z: 7 10.611 1.914 0.296 0.804 1.000 0.833 CA 1.339 7 residues pruned to eliminate duplicates Z: 17 14.432 1.846 0.731 0.628 0.875 0.562 CB 1.145 16 residues pruned to eliminate duplicates Z: 7 2.943 1.535 0.484 0.545 0.833 0.667 CB 0.606 7 residues pruned to eliminate duplicates Z: 27 31.429 2.154 0.840 0.589 0.885 0.654 CA 1.615 27 residues pruned to eliminate duplicates Z: 24 23.430 2.024 0.835 0.509 0.913 0.609 CB 1.428 24 residues pruned to eliminate duplicates Z: 21 16.899 1.824 0.711 0.593 0.850 0.600 CB 1.303 21 residues pruned to eliminate duplicates Z: 10 4.028 1.506 0.433 0.365 0.778 0.444 N 0.925 10 residues pruned to eliminate duplicates Z: 6 4.382 1.674 -0.278 0.717 1.000 0.800 C 1.333 Z: 8 4.614 1.487 0.406 0.666 0.714 0.714 N 1.002 Z: 12 7.730 1.599 0.366 0.504 1.000 0.545 CB 1.063 12 residues pruned to eliminate duplicates Z: 43 28.071 2.157 0.581 0.495 0.833 0.643 CB 1.532 43 residues pruned to eliminate duplicates Z: 11 7.221 1.450 0.685 0.627 0.800 0.600 CB 1.036 Z: 10 6.106 1.764 0.294 0.383 0.889 0.333 CB 1.135 10 residues pruned to eliminate duplicates Z: 6 7.006 1.920 0.562 0.682 0.800 0.800 CA 1.105 Z: 45 33.330 2.113 0.792 0.528 0.886 0.591 CB 1.457 61 residues pruned to eliminate duplicates Z: 7 5.174 1.707 -0.012 0.737 1.000 0.833 CB 1.013 Z: 8 4.372 1.791 0.049 0.335 0.857 0.429 CB 1.230 Z: 6 3.095 1.249 0.415 0.661 0.800 0.200 N 0.843 6 residues pruned to eliminate duplicates Z: 23 9.942 1.844 0.251 0.462 0.818 0.591 CB 1.167 23 residues pruned to eliminate duplicates Z: 6 4.086 1.667 -0.133 0.643 1.000 0.600 CB 1.106 Z: 11 13.378 1.949 0.436 0.779 0.900 0.500 CB 1.313 10 residues pruned to eliminate duplicates Z: 17 21.323 1.907 0.673 0.601 0.938 0.562 CB 1.618 Z: 10 8.946 2.126 0.793 0.453 0.667 0.556 CB 1.231 10 residues pruned to eliminate duplicates Z: 56 32.045 2.085 0.771 0.498 0.855 0.600 CB 1.372 56 residues pruned to eliminate duplicates Z: 53 40.864 2.347 0.532 0.440 0.981 0.596 CB 1.709 53 residues pruned to eliminate duplicates Z: 11 29.054 2.026 1.051 0.917 1.000 0.700 CA 1.560 11 residues pruned to eliminate duplicates Z: 42 21.630 1.905 0.558 0.562 0.902 0.659 CB 1.187 48 residues pruned to eliminate duplicates Z: 10 7.528 1.616 0.714 0.396 0.889 0.667 CB 1.138 10 residues pruned to eliminate duplicates Z: 9 3.552 1.724 0.445 0.089 0.750 0.375 CB 1.140 9 residues pruned to eliminate duplicates Z: 26 14.621 1.973 0.461 0.459 0.880 0.640 CB 1.202 26 residues pruned to eliminate duplicates Z: 66 47.115 2.303 0.866 0.524 0.846 0.615 CB 1.570 66 residues pruned to eliminate duplicates Z: 37 33.413 2.244 0.797 0.473 0.917 0.583 CB 1.549 37 residues pruned to eliminate duplicates Z: 7 7.083 1.610 0.105 0.839 1.000 1.000 CB 1.214 Z: 19 5.834 1.736 0.211 0.307 0.833 0.444 CB 0.973 19 residues pruned to eliminate duplicates Z: 10 10.706 1.619 0.679 0.675 0.889 0.667 N 1.257 Z: 41 25.388 2.024 0.926 0.537 0.800 0.500 CB 1.241 77 residues pruned to eliminate duplicates Z: 6 4.194 1.598 0.175 0.503 0.800 0.200 O 1.244 Z: 10 11.629 1.720 0.542 0.740 0.889 0.778 CA 1.326 10 residues pruned to eliminate duplicates Z: 23 15.324 1.792 0.711 0.500 0.818 0.727 CB 1.303 23 residues pruned to eliminate duplicates Z: 9 12.961 2.033 0.620 0.590 1.000 0.625 CB 1.277 8 residues pruned to eliminate duplicates Z: 10 9.129 1.717 0.916 0.351 0.778 0.333 CB 1.397 10 residues pruned to eliminate duplicates Z: 51 35.137 2.047 0.872 0.562 0.920 0.720 CB 1.327 51 residues pruned to eliminate duplicates Z: 16 20.808 2.082 0.933 0.618 0.867 0.800 CB 1.378 12 residues pruned to eliminate duplicates Z: 13 17.511 2.174 0.670 0.492 1.000 0.583 CB 1.404 13 residues pruned to eliminate duplicates Z: 14 9.871 1.771 0.502 0.494 0.846 0.615 CB 1.224 14 residues pruned to eliminate duplicates Z: 21 23.610 2.119 0.668 0.571 0.900 0.650 CA 1.549 21 residues pruned to eliminate duplicates Z: 31 31.779 2.291 0.893 0.506 0.867 0.500 CB 1.535 31 residues pruned to eliminate duplicates Z: 16 15.630 2.066 0.958 0.443 0.733 0.400 CB 1.442 16 residues pruned to eliminate duplicates Z: 17 14.977 2.126 0.426 0.417 0.875 0.562 CB 1.539 17 residues pruned to eliminate duplicates Z: 72 50.781 2.291 0.815 0.482 0.915 0.634 CB 1.612 72 residues pruned to eliminate duplicates Z: 50 31.236 2.073 0.716 0.513 0.918 0.653 CB 1.348 50 residues pruned to eliminate duplicates Z: 8 5.731 1.629 0.126 0.749 0.857 0.857 CA 1.103 8 residues pruned to eliminate duplicates Z: 13 13.335 1.796 0.583 0.704 1.000 0.750 CB 1.125 Z: 23 24.304 2.004 0.944 0.566 0.864 0.591 CB 1.445 17 residues pruned to eliminate duplicates Z: 12 12.491 1.909 0.446 0.448 0.818 0.636 CA 1.761 12 residues pruned to eliminate duplicates Z: 10 8.290 1.811 0.427 0.550 0.778 0.556 CB 1.310 10 residues pruned to eliminate duplicates Z: 8 5.833 1.567 0.201 0.667 1.000 0.571 CB 1.003 8 residues pruned to eliminate duplicates Z: 8 4.037 1.693 -0.001 0.481 0.857 0.571 CB 1.073 8 residues pruned to eliminate duplicates Z: 16 19.215 2.193 0.580 0.451 0.867 0.600 CA 1.737 16 residues pruned to eliminate duplicates Z: 18 12.927 1.996 0.680 0.349 0.824 0.647 CB 1.337 18 residues pruned to eliminate duplicates Z: 10 9.722 1.839 0.173 0.629 1.000 0.778 CA 1.331 10 residues pruned to eliminate duplicates Z: 6 2.977 1.412 0.473 0.412 0.800 0.800 CB 0.878 Z: 23 18.935 1.845 0.794 0.592 0.864 0.682 CB 1.293 23 residues pruned to eliminate duplicates Z: 21 16.099 1.939 0.904 0.408 0.800 0.550 CB 1.343 21 residues pruned to eliminate duplicates Z: 35 25.008 2.003 0.654 0.517 0.912 0.647 CB 1.396 52 residues pruned to eliminate duplicates Z: 64 25.034 2.006 0.555 0.409 0.825 0.556 CB 1.349 32 residues pruned to eliminate duplicates Z: 11 26.307 2.072 1.084 0.810 1.000 0.800 CA 1.471 Z: 17 19.438 1.921 0.813 0.580 0.875 0.750 CB 1.477 17 residues pruned to eliminate duplicates Z: 40 41.204 2.287 0.952 0.574 0.923 0.538 CB 1.490 40 residues pruned to eliminate duplicates Z: 13 21.373 2.131 0.954 0.754 0.833 0.833 CB 1.418 14 residues pruned to eliminate duplicates Z: 23 22.400 2.056 0.725 0.560 0.955 0.591 CB 1.331 23 residues pruned to eliminate duplicates Z: 10 7.461 1.752 0.391 0.535 0.889 0.667 CB 1.109 10 residues pruned to eliminate duplicates Z: 45 23.174 1.962 0.703 0.502 0.932 0.591 CB 1.120 45 residues pruned to eliminate duplicates Z: 22 21.594 1.905 0.711 0.593 0.952 0.714 CB 1.389 22 residues pruned to eliminate duplicates Z: 54 35.331 2.268 0.758 0.502 0.792 0.566 CB 1.532 54 residues pruned to eliminate duplicates Z: 50 25.934 2.007 0.595 0.477 0.918 0.673 CB 1.290 43 residues pruned to eliminate duplicates Z: 7 6.795 1.706 -0.072 0.732 1.000 0.667 CA 1.422 7 residues pruned to eliminate duplicates Z: 9 10.362 1.731 0.955 0.795 0.875 0.875 CB 0.955 Z: 25 17.731 2.155 0.843 0.439 0.833 0.542 CB 1.165 25 residues pruned to eliminate duplicates Z: 8 2.734 1.575 0.388 0.403 0.714 0.714 CB 0.733 7 residues pruned to eliminate duplicates Z: 6 5.587 1.405 0.417 0.786 1.000 0.800 N 0.976 6 residues pruned to eliminate duplicates Z: 44 29.772 2.184 0.719 0.477 0.907 0.581 CB 1.365 44 residues pruned to eliminate duplicates Z: 8 12.464 2.069 0.803 0.510 0.857 0.714 CB 1.458 8 residues pruned to eliminate duplicates Z: 8 4.806 1.583 0.932 0.498 0.571 0.429 N 1.041 Z: 7 5.613 2.101 0.174 0.422 0.833 0.500 CB 1.209 7 residues pruned to eliminate duplicates Z: 7 2.485 1.741 0.123 0.357 0.833 0.333 CB 0.726 6 residues pruned to eliminate duplicates Z: 10 9.067 2.053 0.185 0.414 0.778 0.556 CA 1.747 10 residues pruned to eliminate duplicates Z: 8 6.128 1.554 0.982 0.749 0.857 0.857 CB 0.702 Z: 11 6.948 1.873 0.329 0.322 0.800 0.500 CB 1.341 Z: 35 29.041 2.219 0.748 0.490 0.794 0.500 CB 1.633 35 residues pruned to eliminate duplicates Z: 21 22.123 2.122 0.692 0.569 0.950 0.600 CB 1.357 21 residues pruned to eliminate duplicates Z: 48 24.406 2.088 0.619 0.418 0.787 0.511 CB 1.457 36 residues pruned to eliminate duplicates Z: 13 20.049 2.188 0.805 0.425 0.917 0.583 CB 1.728 13 residues pruned to eliminate duplicates Z: 6 2.426 1.454 0.886 0.245 0.600 0.400 N 0.884 Z: 17 15.656 2.049 0.539 0.527 0.875 0.688 CB 1.381 17 residues pruned to eliminate duplicates Z: 6 5.755 1.437 0.557 0.639 1.000 0.800 CA 1.010 Z: 12 10.104 1.679 0.487 0.598 1.000 0.818 CB 1.112 12 residues pruned to eliminate duplicates Z: 23 20.992 1.855 0.604 0.607 0.955 0.682 CB 1.424 23 residues pruned to eliminate duplicates Z: 11 3.872 1.523 -0.204 0.473 0.900 0.600 C 1.154 Z: 11 12.362 1.815 0.464 0.554 1.000 0.800 CA 1.395 11 residues pruned to eliminate duplicates Z: 7 5.122 1.907 0.321 0.372 0.667 0.667 CA 1.428 Z: 46 36.308 2.244 0.815 0.522 0.844 0.578 CB 1.540 46 residues pruned to eliminate duplicates Z: 16 16.345 2.007 0.547 0.483 0.933 0.533 CB 1.481 13 residues pruned to eliminate duplicates Z: 15 19.196 2.150 0.866 0.610 0.857 0.714 CB 1.344 15 residues pruned to eliminate duplicates Z: 19 11.269 1.992 0.609 0.403 0.778 0.556 CB 1.180 19 residues pruned to eliminate duplicates Z: 8 3.248 2.074 0.079 0.191 0.857 0.429 CB 0.926 8 residues pruned to eliminate duplicates Z: 13 8.493 1.696 0.272 0.528 0.917 0.417 CB 1.207 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 6.731 2.022 0.588 0.351 0.571 0.500 CB 1.152 15 residues pruned to eliminate duplicates Z: 89 49.863 2.322 0.807 0.495 0.864 0.557 CB 1.474 96 residues pruned to eliminate duplicates Z: 13 9.999 2.047 0.650 0.400 0.917 0.250 CB 1.036 13 residues pruned to eliminate duplicates Z: 25 15.018 2.174 0.593 0.316 0.833 0.500 CB 1.303 25 residues pruned to eliminate duplicates Z: 87 50.133 2.316 0.817 0.503 0.872 0.558 CB 1.468 87 residues pruned to eliminate duplicates Z: 28 18.089 2.230 0.701 0.415 0.741 0.556 CB 1.355 28 residues pruned to eliminate duplicates Z: 24 13.968 2.211 0.519 0.352 0.783 0.565 CB 1.301 24 residues pruned to eliminate duplicates Z: 12 16.173 2.250 0.826 0.404 0.818 0.545 CB 1.604 12 residues pruned to eliminate duplicates Z: 24 14.772 2.236 0.374 0.396 0.826 0.609 CB 1.355 24 residues pruned to eliminate duplicates Z: 23 12.541 2.172 0.295 0.381 0.773 0.545 CB 1.397 23 residues pruned to eliminate duplicates Z: 12 11.953 2.237 0.777 0.319 0.909 0.545 CB 1.218 12 residues pruned to eliminate duplicates Z: 77 42.603 2.301 0.748 0.443 0.842 0.500 CB 1.530 77 residues pruned to eliminate duplicates Z: 23 15.594 2.265 0.672 0.355 0.773 0.545 CB 1.330 23 residues pruned to eliminate duplicates Z: 87 50.147 2.326 0.814 0.488 0.872 0.535 CB 1.488 87 residues pruned to eliminate duplicates Z: 65 42.889 2.324 0.848 0.483 0.828 0.547 CB 1.534 65 residues pruned to eliminate duplicates Z: 17 12.376 2.250 0.467 0.389 0.750 0.500 CB 1.406 17 residues pruned to eliminate duplicates Z: 70 46.127 2.307 0.946 0.477 0.841 0.551 CB 1.506 70 residues pruned to eliminate duplicates Z: 19 12.048 2.163 0.471 0.334 0.778 0.556 CB 1.375 19 residues pruned to eliminate duplicates Z: 40 28.552 2.232 0.684 0.405 0.872 0.487 CB 1.542 40 residues pruned to eliminate duplicates Z: 25 14.711 2.169 0.583 0.400 0.792 0.625 CB 1.227 25 residues pruned to eliminate duplicates Z: 73 40.906 2.265 0.799 0.437 0.833 0.542 CB 1.515 73 residues pruned to eliminate duplicates Z: 25 12.921 2.230 0.428 0.351 0.750 0.500 CB 1.298 25 residues pruned to eliminate duplicates Z: 57 44.832 2.363 0.867 0.514 0.821 0.571 CB 1.630 57 residues pruned to eliminate duplicates Z: 69 48.916 2.354 0.842 0.489 0.882 0.559 CB 1.567 69 residues pruned to eliminate duplicates Z: 44 30.946 2.272 0.695 0.480 0.837 0.581 CB 1.494 44 residues pruned to eliminate duplicates Z: 12 21.453 2.229 0.759 0.489 0.909 0.545 CB 1.834 12 residues pruned to eliminate duplicates Z: 48 35.838 2.337 0.815 0.502 0.809 0.553 CB 1.521 48 residues pruned to eliminate duplicates Z: 14 18.296 2.158 0.690 0.460 0.846 0.462 CA 1.713 14 residues pruned to eliminate duplicates Z: 56 47.574 2.363 0.839 0.519 0.909 0.527 CB 1.593 56 residues pruned to eliminate duplicates Z: 57 43.759 2.353 0.806 0.539 0.839 0.554 CB 1.579 57 residues pruned to eliminate duplicates Z: 53 44.040 2.330 0.935 0.543 0.827 0.635 CB 1.571 53 residues pruned to eliminate duplicates Z: 25 33.562 2.321 0.850 0.590 0.875 0.625 CB 1.673 25 residues pruned to eliminate duplicates Z: 69 46.819 2.315 0.823 0.505 0.868 0.544 CB 1.543 69 residues pruned to eliminate duplicates Z: 40 43.897 2.361 1.112 0.531 0.846 0.590 CB 1.616 40 residues pruned to eliminate duplicates Z: 87 53.727 2.331 0.878 0.519 0.849 0.605 CB 1.530 87 residues pruned to eliminate duplicates Z: 65 50.484 2.337 0.971 0.534 0.859 0.562 CB 1.542 65 residues pruned to eliminate duplicates Z: 52 33.956 2.264 0.826 0.467 0.843 0.588 CB 1.411 52 residues pruned to eliminate duplicates Z: 56 46.812 2.294 0.966 0.538 0.873 0.509 CB 1.545 56 residues pruned to eliminate duplicates Z: 52 41.202 2.323 0.898 0.487 0.824 0.529 CB 1.611 52 residues pruned to eliminate duplicates Z: 70 51.565 2.344 0.958 0.561 0.855 0.594 CB 1.491 70 residues pruned to eliminate duplicates Z: 74 52.959 2.355 0.922 0.498 0.904 0.562 CB 1.517 74 residues pruned to eliminate duplicates Z: 50 39.417 2.215 0.983 0.497 0.878 0.633 CB 1.466 50 residues pruned to eliminate duplicates Z: 74 43.187 2.343 0.828 0.483 0.795 0.521 CB 1.512 74 residues pruned to eliminate duplicates Z: 64 48.840 2.358 0.893 0.550 0.841 0.603 CB 1.561 64 residues pruned to eliminate duplicates Z: 101 50.123 2.252 0.814 0.495 0.820 0.580 CB 1.503 101 residues pruned to eliminate duplicates Z: 41 46.201 2.321 1.057 0.572 0.875 0.625 CB 1.631 41 residues pruned to eliminate duplicates Z: 70 46.534 2.301 1.000 0.525 0.783 0.551 CB 1.516 70 residues pruned to eliminate duplicates Z: 51 53.169 2.380 0.951 0.539 0.940 0.560 CB 1.657 51 residues pruned to eliminate duplicates Z: 82 56.679 2.329 0.937 0.535 0.877 0.556 CB 1.538 82 residues pruned to eliminate duplicates Z: 34 39.340 2.319 0.919 0.519 0.909 0.545 CB 1.662 34 residues pruned to eliminate duplicates Z: 69 55.234 2.351 0.924 0.547 0.882 0.544 CB 1.603 69 residues pruned to eliminate duplicates Z: 100 48.266 2.243 0.776 0.465 0.848 0.525 CB 1.487 100 residues pruned to eliminate duplicates Z: 39 46.088 2.400 1.085 0.578 0.816 0.632 CB 1.699 39 residues pruned to eliminate duplicates Z: 68 52.715 2.362 0.919 0.537 0.866 0.582 CB 1.584 68 residues pruned to eliminate duplicates Z: 65 51.466 2.369 1.034 0.551 0.812 0.578 CB 1.563 65 residues pruned to eliminate duplicates Z: 68 57.122 2.376 0.998 0.564 0.881 0.642 CB 1.569 68 residues pruned to eliminate duplicates Z: 42 44.259 2.377 1.064 0.537 0.829 0.610 CB 1.638 42 residues pruned to eliminate duplicates Z: 69 53.817 2.351 1.055 0.542 0.853 0.603 CB 1.519 97 residues pruned to eliminate duplicates Z: 62 49.194 2.292 0.917 0.540 0.869 0.541 CB 1.588 62 residues pruned to eliminate duplicates Z: 77 47.640 2.328 0.899 0.496 0.855 0.539 CB 1.451 77 residues pruned to eliminate duplicates Z: 57 50.678 2.325 1.027 0.526 0.875 0.536 CB 1.601 57 residues pruned to eliminate duplicates Z: 78 40.989 2.285 0.843 0.434 0.805 0.481 CB 1.475 78 residues pruned to eliminate duplicates Z: 87 55.845 2.324 0.911 0.508 0.884 0.523 CB 1.522 87 residues pruned to eliminate duplicates Z: 57 53.452 2.339 1.057 0.572 0.893 0.589 CB 1.551 57 residues pruned to eliminate duplicates Z: 20 19.054 2.119 0.491 0.490 0.842 0.579 CB 1.660 20 residues pruned to eliminate duplicates Z: 56 30.508 2.196 0.540 0.473 0.818 0.455 CB 1.528 56 residues pruned to eliminate duplicates Z: 17 15.822 2.279 0.559 0.453 0.750 0.500 CB 1.557 17 residues pruned to eliminate duplicates Z: 75 48.360 2.335 0.827 0.489 0.851 0.581 CB 1.566 75 residues pruned to eliminate duplicates Z: 71 45.045 2.276 0.920 0.479 0.814 0.543 CB 1.546 71 residues pruned to eliminate duplicates Z: 22 15.329 2.080 0.486 0.447 0.810 0.476 CB 1.412 22 residues pruned to eliminate duplicates Z: 45 46.694 2.311 1.088 0.531 0.886 0.568 CB 1.597 45 residues pruned to eliminate duplicates Z: 56 46.057 2.320 1.009 0.540 0.818 0.564 CB 1.566 56 residues pruned to eliminate duplicates Z: 71 50.418 2.271 0.867 0.520 0.857 0.500 CB 1.624 71 residues pruned to eliminate duplicates Z: 76 56.407 2.276 1.055 0.487 0.907 0.560 CB 1.555 76 residues pruned to eliminate duplicates Z: 88 58.031 2.312 1.040 0.521 0.885 0.552 CB 1.459 88 residues pruned to eliminate duplicates Z: 87 52.423 2.351 0.844 0.505 0.849 0.570 CB 1.529 87 residues pruned to eliminate duplicates Z: 89 51.017 2.310 0.897 0.487 0.830 0.557 CB 1.517 89 residues pruned to eliminate duplicates Z: 26 29.164 2.233 0.868 0.538 0.880 0.640 CB 1.532 26 residues pruned to eliminate duplicates Z: 65 50.685 2.329 0.928 0.544 0.859 0.562 CB 1.573 65 residues pruned to eliminate duplicates Z: 65 53.377 2.319 1.030 0.549 0.859 0.578 CB 1.572 65 residues pruned to eliminate duplicates Z: 14 21.626 2.146 0.965 0.635 0.846 0.615 CB 1.481 Z: 6 9.282 1.643 1.157 0.478 1.000 0.800 C 1.197 6 residues pruned to eliminate duplicates Z: 65 58.455 2.370 1.042 0.558 0.875 0.578 CB 1.630 79 residues pruned to eliminate duplicates Z: 19 14.350 2.078 0.672 0.494 0.833 0.667 CB 1.176 19 residues pruned to eliminate duplicates Z: 24 18.688 1.996 0.596 0.534 0.913 0.652 CB 1.296 29 residues pruned to eliminate duplicates Z: 7 4.969 1.505 0.403 0.444 1.000 0.333 CB 1.017 7 residues pruned to eliminate duplicates Z: 17 12.293 1.933 0.482 0.368 0.875 0.500 CB 1.413 17 residues pruned to eliminate duplicates Z: 6 6.331 1.608 0.704 0.290 1.000 0.400 C 1.307 6 residues pruned to eliminate duplicates Z: 11 10.021 1.945 0.495 0.333 0.900 0.400 CB 1.453 11 residues pruned to eliminate duplicates Z: 16 18.668 1.940 0.842 0.512 0.933 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 25 18.203 1.946 0.684 0.456 0.917 0.583 CB 1.294 17 residues pruned to eliminate duplicates Z: 6 3.082 1.396 0.944 0.308 0.600 0.400 C 1.048 6 residues pruned to eliminate duplicates Z: 16 27.195 2.053 0.777 0.732 0.933 0.667 CB 1.674 Z: 6 6.369 1.964 0.749 0.299 0.800 0.800 CA 1.296 6 residues pruned to eliminate duplicates Z: 15 25.472 1.931 0.935 0.602 1.000 0.786 C 1.655 15 residues pruned to eliminate duplicates Z: 16 27.709 2.004 0.798 0.724 1.000 0.867 CB 1.623 17 residues pruned to eliminate duplicates Z: 6 3.291 1.535 0.338 0.328 0.800 0.400 CB 1.081 6 residues pruned to eliminate duplicates Z: 15 31.143 2.081 0.969 0.731 1.000 0.857 CB 1.649 15 residues pruned to eliminate duplicates Z: 30 28.231 1.983 0.865 0.628 0.862 0.655 CB 1.459 16 residues pruned to eliminate duplicates Z: 6 3.946 1.430 0.317 0.324 1.000 0.600 CA 1.137 6 residues pruned to eliminate duplicates Z: 18 22.031 1.847 0.815 0.684 0.941 0.765 CB 1.430 18 residues pruned to eliminate duplicates Z: 10 12.767 1.710 0.850 0.537 0.889 0.556 CA 1.459 10 residues pruned to eliminate duplicates Z: 21 20.262 1.798 0.725 0.562 0.900 0.650 CB 1.527 21 residues pruned to eliminate duplicates Z: 22 19.200 1.791 0.690 0.557 0.905 0.524 CB 1.448 22 residues pruned to eliminate duplicates Z: 62 42.529 2.207 0.695 0.488 0.934 0.525 CB 1.577 62 residues pruned to eliminate duplicates Z: 28 21.204 2.054 0.591 0.462 0.852 0.519 CB 1.524 28 residues pruned to eliminate duplicates Z: 9 4.293 1.481 0.615 0.632 0.875 0.750 N 0.641 Z: 6 5.255 1.801 1.158 0.353 0.600 0.600 CA 1.182 Z: 7 5.353 1.615 0.868 0.250 0.833 0.500 CA 1.159 7 residues pruned to eliminate duplicates Z: 6 3.666 2.083 0.191 0.299 0.600 0.600 CB 1.378 6 residues pruned to eliminate duplicates Z: 54 39.881 2.201 0.736 0.498 0.925 0.547 CB 1.554 69 residues pruned to eliminate duplicates Z: 30 24.107 2.062 0.715 0.474 0.862 0.655 CB 1.507 30 residues pruned to eliminate duplicates Z: 69 41.053 2.245 0.660 0.470 0.882 0.515 CB 1.560 69 residues pruned to eliminate duplicates Z: 33 23.863 1.954 0.688 0.453 0.906 0.562 CB 1.482 33 residues pruned to eliminate duplicates Z: 25 16.247 2.017 0.584 0.404 0.792 0.583 CB 1.450 25 residues pruned to eliminate duplicates Z: 41 35.502 2.244 0.778 0.509 0.825 0.575 CB 1.689 41 residues pruned to eliminate duplicates Z: 42 24.663 2.065 0.600 0.398 0.902 0.512 CB 1.438 42 residues pruned to eliminate duplicates Z: 39 22.654 2.034 0.564 0.415 0.842 0.526 CB 1.500 68 residues pruned to eliminate duplicates Z: 25 26.004 2.158 0.689 0.517 0.875 0.583 CB 1.637 25 residues pruned to eliminate duplicates Z: 28 20.363 1.969 0.575 0.430 0.889 0.593 CB 1.529 28 residues pruned to eliminate duplicates Z: 28 24.705 2.099 0.652 0.480 0.889 0.630 CB 1.573 28 residues pruned to eliminate duplicates Z: 25 16.860 2.052 0.583 0.436 0.750 0.458 CB 1.509 25 residues pruned to eliminate duplicates Z: 60 42.773 2.217 0.746 0.536 0.932 0.644 CB 1.489 60 residues pruned to eliminate duplicates Z: 68 45.976 2.300 0.651 0.464 0.925 0.507 CB 1.658 68 residues pruned to eliminate duplicates Z: 29 25.338 2.065 0.653 0.496 0.893 0.607 CB 1.578 29 residues pruned to eliminate duplicates Z: 41 33.355 2.202 0.611 0.497 0.900 0.575 CB 1.657 41 residues pruned to eliminate duplicates Z: 39 35.817 2.319 0.683 0.455 0.947 0.526 CB 1.645 39 residues pruned to eliminate duplicates Z: 80 48.152 2.247 0.786 0.455 0.899 0.532 CB 1.572 80 residues pruned to eliminate duplicates Z: 17 22.106 2.398 0.725 0.447 0.812 0.438 CA 1.738 17 residues pruned to eliminate duplicates Z: 38 32.702 2.286 0.747 0.444 0.865 0.541 CB 1.648 38 residues pruned to eliminate duplicates Z: 53 44.593 2.331 0.710 0.494 0.942 0.577 CB 1.656 53 residues pruned to eliminate duplicates Z: 39 37.854 2.291 0.739 0.483 0.947 0.526 CB 1.656 39 residues pruned to eliminate duplicates Z: 40 32.380 2.270 0.592 0.468 0.923 0.538 CB 1.607 40 residues pruned to eliminate duplicates Z: 39 32.760 2.264 0.655 0.457 0.921 0.579 CB 1.609 39 residues pruned to eliminate duplicates Z: 20 17.766 2.263 0.709 0.426 0.684 0.421 CA 1.662 20 residues pruned to eliminate duplicates Z: 37 34.306 2.314 0.644 0.449 0.972 0.528 CB 1.630 37 residues pruned to eliminate duplicates Z: 59 43.521 2.265 0.699 0.470 0.931 0.552 CB 1.644 59 residues pruned to eliminate duplicates Z: 39 32.243 2.314 0.642 0.423 0.895 0.553 CB 1.667 39 residues pruned to eliminate duplicates Z: 15 17.559 2.276 0.416 0.442 0.857 0.429 CA 1.804 15 residues pruned to eliminate duplicates Z: 43 32.803 2.226 0.520 0.450 0.976 0.500 CB 1.613 43 residues pruned to eliminate duplicates Z: 35 29.005 2.268 0.439 0.458 0.941 0.618 CB 1.690 35 residues pruned to eliminate duplicates Z: 40 31.700 2.276 0.468 0.423 0.974 0.538 CB 1.690 40 residues pruned to eliminate duplicates Z: 38 30.978 2.295 0.668 0.431 0.919 0.541 CB 1.555 38 residues pruned to eliminate duplicates Z: 62 45.417 2.285 0.706 0.461 0.918 0.574 CB 1.692 62 residues pruned to eliminate duplicates Z: 32 14.565 2.005 0.410 0.301 0.871 0.516 CB 1.327 32 residues pruned to eliminate duplicates Z: 71 44.541 2.298 0.630 0.453 0.900 0.514 CB 1.656 71 residues pruned to eliminate duplicates Z: 39 34.279 2.282 0.636 0.479 0.895 0.553 CB 1.701 39 residues pruned to eliminate duplicates Z: 19 19.087 2.070 0.580 0.424 1.000 0.611 CB 1.488 19 residues pruned to eliminate duplicates Z: 19 11.232 2.005 0.486 0.268 0.833 0.444 CB 1.389 19 residues pruned to eliminate duplicates Z: 19 13.462 2.056 0.638 0.295 0.889 0.444 CB 1.333 19 residues pruned to eliminate duplicates Z: 81 43.380 2.196 0.661 0.423 0.925 0.512 CB 1.557 81 residues pruned to eliminate duplicates Z: 57 39.488 2.234 0.725 0.443 0.875 0.589 CB 1.660 57 residues pruned to eliminate duplicates Z: 41 32.852 2.240 0.495 0.459 0.950 0.575 CB 1.702 41 residues pruned to eliminate duplicates Z: 37 37.618 2.350 0.630 0.497 0.972 0.611 CB 1.690 37 residues pruned to eliminate duplicates Z: 41 25.762 2.172 0.468 0.399 0.900 0.550 CB 1.579 41 residues pruned to eliminate duplicates Z: 19 9.474 1.958 0.336 0.259 0.944 0.500 CB 1.191 19 residues pruned to eliminate duplicates Z: 16 15.784 2.166 0.567 0.388 0.867 0.467 CB 1.560 16 residues pruned to eliminate duplicates Z: 9 10.466 2.258 0.362 0.429 0.750 0.625 CA 1.728 9 residues pruned to eliminate duplicates Z: 10 9.280 2.101 0.170 0.484 0.889 0.556 CA 1.438 10 residues pruned to eliminate duplicates Z: 16 9.676 2.171 0.454 0.289 0.667 0.600 CA 1.504 16 residues pruned to eliminate duplicates Z: 54 49.210 2.355 0.776 0.472 0.981 0.604 CB 1.696 54 residues pruned to eliminate duplicates Z: 61 44.989 2.289 0.754 0.460 0.950 0.567 CB 1.586 61 residues pruned to eliminate duplicates Z: 60 45.628 2.276 0.736 0.467 0.966 0.593 CB 1.609 60 residues pruned to eliminate duplicates Z: 53 43.491 2.331 0.766 0.477 0.942 0.577 CB 1.591 53 residues pruned to eliminate duplicates Z: 61 42.351 2.274 0.680 0.443 0.917 0.550 CB 1.655 61 residues pruned to eliminate duplicates Z: 78 51.984 2.277 0.790 0.470 0.922 0.558 CB 1.625 78 residues pruned to eliminate duplicates Z: 78 54.494 2.281 0.824 0.488 0.922 0.636 CB 1.639 78 residues pruned to eliminate duplicates Z: 21 29.001 2.352 0.987 0.503 0.900 0.650 CB 1.537 21 residues pruned to eliminate duplicates Z: 57 37.059 2.249 0.750 0.438 0.875 0.500 CB 1.532 57 residues pruned to eliminate duplicates Z: 19 34.973 2.417 1.062 0.561 0.944 0.778 CB 1.651 19 residues pruned to eliminate duplicates Z: 70 51.159 2.318 0.787 0.479 0.928 0.580 CB 1.637 70 residues pruned to eliminate duplicates Z: 21 26.172 2.309 0.759 0.514 0.900 0.700 CA 1.579 21 residues pruned to eliminate duplicates Z: 21 27.984 2.276 0.870 0.506 0.950 0.750 CB 1.538 21 residues pruned to eliminate duplicates Z: 55 45.373 2.336 0.699 0.469 0.963 0.630 CB 1.668 55 residues pruned to eliminate duplicates Z: 19 39.032 2.438 1.075 0.597 1.000 0.778 CB 1.659 19 residues pruned to eliminate duplicates Z: 76 49.005 2.259 0.827 0.438 0.867 0.600 CB 1.688 76 residues pruned to eliminate duplicates Z: 73 53.782 2.350 0.793 0.473 0.931 0.569 CB 1.661 73 residues pruned to eliminate duplicates Z: 12 15.202 2.200 0.948 0.387 0.818 0.455 CA 1.473 12 residues pruned to eliminate duplicates Z: 20 31.784 2.356 1.189 0.486 0.842 0.579 CB 1.703 20 residues pruned to eliminate duplicates Z: 13 17.275 2.301 0.831 0.370 0.833 0.500 CB 1.632 13 residues pruned to eliminate duplicates Z: 14 14.313 2.023 0.907 0.338 0.846 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 63 41.876 2.310 0.741 0.424 0.935 0.548 CB 1.530 63 residues pruned to eliminate duplicates Z: 13 18.658 2.195 1.328 0.370 0.833 0.667 CB 1.453 13 residues pruned to eliminate duplicates Z: 14 14.583 2.128 0.981 0.281 0.846 0.462 CB 1.452 14 residues pruned to eliminate duplicates Z: 21 27.946 2.335 1.113 0.450 0.800 0.550 CB 1.666 21 residues pruned to eliminate duplicates Z: 21 23.891 2.150 1.035 0.405 0.850 0.500 CB 1.587 21 residues pruned to eliminate duplicates Z: 21 34.756 2.316 1.282 0.493 0.900 0.700 CB 1.646 21 residues pruned to eliminate duplicates Z: 20 31.004 2.395 1.017 0.449 0.947 0.474 CB 1.638 20 residues pruned to eliminate duplicates Z: 74 53.281 2.308 0.867 0.461 0.932 0.575 CB 1.617 74 residues pruned to eliminate duplicates Z: 10 35.191 2.503 1.286 0.649 1.000 0.556 CB 1.784 10 residues pruned to eliminate duplicates Z: 21 31.969 2.307 1.164 0.448 0.900 0.500 CA 1.679 21 residues pruned to eliminate duplicates Z: 10 18.355 2.094 0.820 0.558 0.889 0.667 CB 1.708 10 residues pruned to eliminate duplicates Z: 23 25.241 2.149 0.976 0.467 0.864 0.682 CB 1.517 23 residues pruned to eliminate duplicates Z: 24 28.156 2.150 1.140 0.468 0.870 0.522 CB 1.516 24 residues pruned to eliminate duplicates Z: 20 19.547 2.128 0.944 0.439 0.842 0.737 CB 1.370 20 residues pruned to eliminate duplicates Z: 20 21.418 2.154 0.881 0.446 0.947 0.684 CB 1.353 20 residues pruned to eliminate duplicates Z: 26 23.468 2.136 1.019 0.469 0.840 0.640 CB 1.338 26 residues pruned to eliminate duplicates Z: 25 21.339 2.132 0.929 0.469 0.833 0.667 CB 1.312 25 residues pruned to eliminate duplicates Z: 20 16.340 2.087 0.837 0.396 0.895 0.684 CB 1.220 20 residues pruned to eliminate duplicates Z: 19 16.847 2.139 0.719 0.385 0.889 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 29 16.849 2.063 0.853 0.412 0.786 0.607 CB 1.163 29 residues pruned to eliminate duplicates Z: 19 22.389 2.194 0.866 0.472 0.889 0.778 CB 1.492 19 residues pruned to eliminate duplicates Z: 50 30.487 2.020 0.823 0.507 0.878 0.653 CB 1.339 50 residues pruned to eliminate duplicates Z: 19 20.177 2.095 0.858 0.425 0.889 0.556 CB 1.486 19 residues pruned to eliminate duplicates Z: 40 31.534 2.074 0.888 0.518 0.949 0.615 CB 1.335 33 residues pruned to eliminate duplicates Z: 9 7.568 1.725 0.093 0.571 1.000 0.500 CB 1.325 9 residues pruned to eliminate duplicates Z: 26 17.837 2.087 0.545 0.423 0.920 0.560 CB 1.303 27 residues pruned to eliminate duplicates Z: 6 2.263 1.405 0.779 0.165 1.000 0.400 CA 0.609 6 residues pruned to eliminate duplicates Z: 38 32.110 2.188 0.866 0.520 0.892 0.649 CB 1.420 38 residues pruned to eliminate duplicates Z: 30 24.448 2.099 0.627 0.516 0.931 0.552 CB 1.405 30 residues pruned to eliminate duplicates Z: 25 16.846 1.831 0.538 0.571 0.917 0.667 CB 1.245 25 residues pruned to eliminate duplicates Z: 24 14.322 1.898 0.484 0.465 0.826 0.652 CB 1.330 24 residues pruned to eliminate duplicates Z: 139 54.805 2.217 0.691 0.484 0.877 0.565 CB 1.442 139 residues pruned to eliminate duplicates Z: 24 15.975 1.885 0.507 0.495 0.870 0.696 CB 1.355 24 residues pruned to eliminate duplicates Z: 43 28.555 1.998 0.662 0.507 0.976 0.714 CB 1.349 43 residues pruned to eliminate duplicates Z: 60 28.669 2.034 0.616 0.476 0.915 0.593 CB 1.272 60 residues pruned to eliminate duplicates Z: 25 17.620 1.983 0.589 0.550 0.875 0.750 CB 1.243 25 residues pruned to eliminate duplicates Z: 35 18.635 1.929 0.497 0.426 0.882 0.529 CB 1.354 35 residues pruned to eliminate duplicates Z: 24 16.568 1.845 0.515 0.496 0.957 0.565 CB 1.297 24 residues pruned to eliminate duplicates Z: 118 48.097 2.177 0.798 0.470 0.846 0.564 CB 1.384 118 residues pruned to eliminate duplicates Z: 25 20.543 1.869 0.652 0.539 0.917 0.833 CB 1.426 25 residues pruned to eliminate duplicates Z: 43 22.074 1.923 0.574 0.522 0.857 0.548 CB 1.285 43 residues pruned to eliminate duplicates Z: 51 29.060 2.052 0.708 0.490 0.900 0.640 CB 1.316 51 residues pruned to eliminate duplicates Z: 79 47.166 2.158 0.889 0.521 0.872 0.628 CB 1.472 79 residues pruned to eliminate duplicates Z: 38 23.231 1.969 0.488 0.541 0.946 0.703 CB 1.324 38 residues pruned to eliminate duplicates Z: 42 22.171 1.926 0.623 0.454 0.927 0.610 CB 1.253 42 residues pruned to eliminate duplicates Z: 11 12.005 1.847 0.556 0.608 0.900 0.700 CB 1.325 11 residues pruned to eliminate duplicates Z: 51 30.224 2.056 0.676 0.502 0.940 0.640 CB 1.317 51 residues pruned to eliminate duplicates Z: 57 26.858 2.023 0.704 0.433 0.857 0.607 CB 1.302 57 residues pruned to eliminate duplicates Z: 52 29.518 2.052 0.637 0.497 0.922 0.647 CB 1.340 52 residues pruned to eliminate duplicates Z: 9 6.420 1.919 0.231 0.419 0.750 0.375 CB 1.395 17 residues pruned to eliminate duplicates Z: 10 10.963 2.244 0.268 0.389 0.889 0.333 CA 1.624 10 residues pruned to eliminate duplicates Z: 10 12.344 2.301 0.370 0.416 0.889 0.556 CB 1.603 10 residues pruned to eliminate duplicates Z: 10 13.287 2.206 0.536 0.446 0.889 0.667 CA 1.555 10 residues pruned to eliminate duplicates Z: 58 37.020 2.288 0.655 0.487 0.895 0.596 CB 1.467 58 residues pruned to eliminate duplicates Z: 84 44.692 2.240 0.686 0.486 0.940 0.602 CB 1.402 84 residues pruned to eliminate duplicates Z: 61 44.413 2.315 0.936 0.479 0.900 0.617 CB 1.452 61 residues pruned to eliminate duplicates Z: 79 41.190 2.266 0.652 0.475 0.872 0.564 CB 1.465 79 residues pruned to eliminate duplicates Z: 58 41.130 2.292 0.872 0.485 0.895 0.614 CB 1.440 58 residues pruned to eliminate duplicates Z: 74 39.820 2.219 0.758 0.492 0.863 0.562 CB 1.396 74 residues pruned to eliminate duplicates Z: 61 38.047 2.224 0.772 0.467 0.900 0.517 CB 1.433 61 residues pruned to eliminate duplicates Z: 86 40.460 2.204 0.678 0.487 0.882 0.624 CB 1.362 85 residues pruned to eliminate duplicates Z: 6 5.705 1.854 0.574 0.263 0.800 0.800 CA 1.432 6 residues pruned to eliminate duplicates Z: 57 43.449 2.340 0.860 0.494 0.893 0.607 CB 1.504 57 residues pruned to eliminate duplicates Z: 91 42.029 2.153 0.776 0.452 0.889 0.589 CB 1.369 91 residues pruned to eliminate duplicates Z: 59 44.122 2.322 0.894 0.496 0.897 0.621 CB 1.475 59 residues pruned to eliminate duplicates Z: 57 42.886 2.309 0.946 0.503 0.857 0.661 CB 1.484 57 residues pruned to eliminate duplicates Z: 50 45.042 2.315 1.097 0.504 0.918 0.673 CB 1.438 50 residues pruned to eliminate duplicates Z: 56 45.477 2.356 0.897 0.510 0.909 0.655 CB 1.494 56 residues pruned to eliminate duplicates Z: 65 44.094 2.299 0.862 0.485 0.906 0.594 CB 1.443 65 residues pruned to eliminate duplicates Z: 59 42.186 2.294 0.876 0.477 0.862 0.569 CB 1.528 59 residues pruned to eliminate duplicates Z: 50 44.434 2.348 1.023 0.496 0.918 0.612 CB 1.460 50 residues pruned to eliminate duplicates Z: 59 37.754 2.296 0.793 0.446 0.845 0.586 CB 1.506 59 residues pruned to eliminate duplicates Z: 61 41.681 2.309 0.860 0.489 0.900 0.633 CB 1.408 61 residues pruned to eliminate duplicates Z: 59 41.483 2.321 0.834 0.495 0.862 0.672 CB 1.491 59 residues pruned to eliminate duplicates Z: 57 39.305 2.270 0.944 0.441 0.893 0.589 CB 1.416 57 residues pruned to eliminate duplicates Z: 64 45.467 2.292 0.908 0.486 0.889 0.556 CB 1.494 64 residues pruned to eliminate duplicates Z: 69 44.833 2.284 0.800 0.499 0.897 0.676 CB 1.475 69 residues pruned to eliminate duplicates Z: 64 44.534 2.296 0.860 0.484 0.905 0.571 CB 1.476 64 residues pruned to eliminate duplicates Z: 60 45.299 2.310 0.979 0.488 0.881 0.593 CB 1.481 60 residues pruned to eliminate duplicates Z: 58 40.572 2.300 0.846 0.480 0.895 0.526 CB 1.443 58 residues pruned to eliminate duplicates Z: 50 41.535 2.295 0.919 0.492 0.898 0.592 CB 1.513 50 residues pruned to eliminate duplicates Z: 47 35.310 2.276 0.766 0.489 0.870 0.587 CB 1.507 47 residues pruned to eliminate duplicates Z: 25 39.167 2.323 1.076 0.626 0.917 0.667 CB 1.607 25 residues pruned to eliminate duplicates Z: 64 41.709 2.291 0.829 0.460 0.921 0.603 CB 1.419 64 residues pruned to eliminate duplicates Z: 45 40.799 2.280 1.012 0.482 0.932 0.614 CB 1.465 45 residues pruned to eliminate duplicates Z: 37 38.650 2.315 1.051 0.560 0.833 0.611 CB 1.536 37 residues pruned to eliminate duplicates Z: 14 16.942 2.070 1.178 0.314 0.846 0.308 CB 1.512 14 residues pruned to eliminate duplicates Z: 18 24.435 2.228 0.976 0.518 1.000 0.471 CB 1.323 18 residues pruned to eliminate duplicates Z: 41 46.766 2.310 1.059 0.563 0.950 0.625 CB 1.540 41 residues pruned to eliminate duplicates Z: 80 40.872 2.198 0.848 0.454 0.848 0.582 CB 1.399 80 residues pruned to eliminate duplicates Z: 56 44.968 2.336 0.900 0.526 0.909 0.673 CB 1.464 56 residues pruned to eliminate duplicates Z: 42 33.144 2.278 0.984 0.468 0.829 0.610 CB 1.427 42 residues pruned to eliminate duplicates Z: 63 36.161 2.196 0.912 0.473 0.871 0.516 CB 1.291 63 residues pruned to eliminate duplicates Z: 58 43.805 2.310 0.935 0.485 0.877 0.596 CB 1.502 58 residues pruned to eliminate duplicates Z: 58 36.210 2.292 0.756 0.483 0.877 0.596 CB 1.382 58 residues pruned to eliminate duplicates Z: 66 44.571 2.279 0.954 0.466 0.892 0.600 CB 1.441 66 residues pruned to eliminate duplicates Z: 87 43.762 2.223 0.746 0.462 0.884 0.535 CB 1.430 87 residues pruned to eliminate duplicates Z: 13 16.825 2.016 1.168 0.499 0.833 0.583 CB 1.336 13 residues pruned to eliminate duplicates Z: 37 24.553 2.136 0.636 0.468 0.889 0.583 CB 1.361 37 residues pruned to eliminate duplicates Z: 65 40.814 2.269 0.880 0.482 0.875 0.688 CB 1.393 65 residues pruned to eliminate duplicates Z: 57 36.626 2.291 0.933 0.475 0.804 0.536 CB 1.410 57 residues pruned to eliminate duplicates Z: 21 17.530 2.123 0.771 0.424 0.850 0.500 CB 1.327 21 residues pruned to eliminate duplicates Z: 12 7.200 2.065 0.455 0.275 0.727 0.455 CB 1.283 12 residues pruned to eliminate duplicates Z: 15 10.636 1.985 0.513 0.313 0.857 0.571 CB 1.357 15 residues pruned to eliminate duplicates Z: 27 20.395 2.149 0.435 0.484 0.885 0.615 CB 1.490 27 residues pruned to eliminate duplicates Z: 14 16.291 2.187 0.646 0.456 0.923 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 82 45.072 2.261 0.770 0.476 0.889 0.580 CB 1.442 82 residues pruned to eliminate duplicates Z: 18 12.938 2.012 0.380 0.445 0.882 0.412 CB 1.356 18 residues pruned to eliminate duplicates Z: 24 18.630 2.151 0.379 0.453 0.957 0.652 CB 1.437 24 residues pruned to eliminate duplicates Z: 77 40.876 2.278 0.681 0.466 0.895 0.618 CB 1.417 77 residues pruned to eliminate duplicates Z: 21 16.828 2.069 0.499 0.478 0.900 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 24 13.855 2.030 0.508 0.359 0.826 0.696 CB 1.329 24 residues pruned to eliminate duplicates Z: 31 18.213 2.067 0.404 0.452 0.900 0.700 CB 1.338 31 residues pruned to eliminate duplicates Z: 45 34.735 2.251 0.825 0.498 0.841 0.659 CB 1.519 45 residues pruned to eliminate duplicates Z: 22 19.924 2.191 0.550 0.443 0.905 0.667 CB 1.500 22 residues pruned to eliminate duplicates Z: 77 43.360 2.221 0.757 0.477 0.908 0.579 CB 1.437 77 residues pruned to eliminate duplicates Z: 25 18.101 2.036 0.505 0.515 0.875 0.667 CB 1.357 26 residues pruned to eliminate duplicates Z: 6 10.386 1.878 0.371 0.760 1.000 0.800 CA 1.432 6 residues pruned to eliminate duplicates Z: 68 46.473 2.284 0.818 0.482 0.910 0.612 CB 1.530 68 residues pruned to eliminate duplicates Z: 28 16.920 1.970 0.657 0.475 0.852 0.630 CB 1.200 27 residues pruned to eliminate duplicates Z: 6 4.539 1.570 0.748 0.227 0.800 0.800 CA 1.272 6 residues pruned to eliminate duplicates Z: 23 17.499 1.816 0.806 0.530 0.818 0.682 CB 1.350 23 residues pruned to eliminate duplicates Z: 22 17.446 1.849 0.800 0.536 0.810 0.714 CB 1.364 22 residues pruned to eliminate duplicates Z: 15 10.724 1.763 0.700 0.347 0.786 0.571 CB 1.437 15 residues pruned to eliminate duplicates Z: 42 26.319 1.972 0.816 0.512 0.878 0.659 CB 1.291 42 residues pruned to eliminate duplicates Z: 20 21.705 1.894 1.021 0.566 0.842 0.632 CB 1.449 20 residues pruned to eliminate duplicates Z: 8 5.997 1.737 0.351 0.578 0.714 0.571 CB 1.254 8 residues pruned to eliminate duplicates Z: 7 10.474 1.850 0.547 0.720 0.833 0.667 CB 1.470 7 residues pruned to eliminate duplicates Z: 23 21.136 1.861 0.791 0.591 0.909 0.727 CB 1.364 23 residues pruned to eliminate duplicates Z: 20 13.786 1.925 0.640 0.454 0.789 0.632 CB 1.330 31 residues pruned to eliminate duplicates Z: 28 22.649 1.937 0.807 0.563 0.889 0.741 CB 1.318 28 residues pruned to eliminate duplicates Z: 34 23.177 1.945 0.656 0.488 0.909 0.576 CB 1.394 34 residues pruned to eliminate duplicates Z: 13 11.668 1.978 0.456 0.424 0.917 0.417 CB 1.381 13 residues pruned to eliminate duplicates Z: 13 9.445 1.975 0.461 0.395 0.750 0.583 CB 1.408 13 residues pruned to eliminate duplicates Z: 18 8.004 1.669 0.325 0.282 0.882 0.471 CA 1.273 18 residues pruned to eliminate duplicates Z: 14 13.202 1.987 0.538 0.472 0.846 0.615 CB 1.458 14 residues pruned to eliminate duplicates Z: 11 5.097 1.859 0.361 0.363 0.600 0.500 CB 1.230 Z: 7 6.602 1.537 0.377 0.472 1.000 0.500 CB 1.310 7 residues pruned to eliminate duplicates Z: 7 8.502 1.902 0.454 0.607 0.833 0.500 CB 1.360 Z: 7 5.920 1.635 0.384 0.419 0.833 0.667 C 1.395 Z: 6 3.256 1.791 0.157 0.345 0.800 0.400 CA 1.040 21 residues pruned to eliminate duplicates Z: 6 3.526 1.650 0.412 0.227 0.800 0.800 C 1.164 6 residues pruned to eliminate duplicates Z: 21 16.982 2.026 0.622 0.432 0.850 0.750 CB 1.459 21 residues pruned to eliminate duplicates Z: 29 20.660 1.908 0.838 0.439 0.857 0.429 CB 1.384 29 residues pruned to eliminate duplicates Z: 6 6.007 1.851 0.380 0.251 1.000 0.400 CA 1.401 6 residues pruned to eliminate duplicates Z: 20 24.901 2.165 0.864 0.566 0.947 0.789 CB 1.402 20 residues pruned to eliminate duplicates Z: 19 28.771 2.225 0.902 0.598 1.000 0.778 CB 1.460 19 residues pruned to eliminate duplicates Z: 20 20.061 2.167 0.765 0.473 0.895 0.579 CB 1.382 20 residues pruned to eliminate duplicates Z: 19 26.060 2.225 0.851 0.602 0.944 0.667 CB 1.432 19 residues pruned to eliminate duplicates Z: 13 17.853 2.163 0.805 0.491 0.833 0.750 CB 1.598 13 residues pruned to eliminate duplicates Z: 20 25.362 2.166 0.922 0.545 0.947 0.737 CB 1.412 20 residues pruned to eliminate duplicates Z: 19 23.268 2.213 0.866 0.494 0.944 0.667 CB 1.414 19 residues pruned to eliminate duplicates Z: 27 12.781 1.882 0.457 0.444 0.846 0.462 CB 1.144 27 residues pruned to eliminate duplicates Z: 33 19.550 2.064 0.855 0.425 0.844 0.531 CB 1.156 33 residues pruned to eliminate duplicates Z: 38 27.973 2.060 0.699 0.503 0.946 0.459 CB 1.384 38 residues pruned to eliminate duplicates Z: 22 13.193 1.967 0.582 0.453 0.857 0.429 CB 1.132 22 residues pruned to eliminate duplicates Z: 33 24.078 2.122 0.696 0.486 0.906 0.594 CB 1.324 33 residues pruned to eliminate duplicates Z: 32 24.067 2.164 0.716 0.411 0.935 0.613 CB 1.366 32 residues pruned to eliminate duplicates Z: 25 17.199 1.966 0.582 0.480 0.917 0.500 CB 1.256 25 residues pruned to eliminate duplicates Z: 12 9.486 1.838 0.647 0.384 0.818 0.545 CA 1.306 12 residues pruned to eliminate duplicates Z: 37 27.475 2.078 0.904 0.471 0.889 0.639 CB 1.342 37 residues pruned to eliminate duplicates Z: 19 11.495 1.954 0.451 0.451 0.833 0.333 CB 1.206 19 residues pruned to eliminate duplicates Z: 15 10.194 1.896 0.661 0.379 0.786 0.429 CB 1.253 15 residues pruned to eliminate duplicates Z: 13 8.152 1.904 0.640 0.426 0.750 0.333 CB 1.085 13 residues pruned to eliminate duplicates Z: 33 20.218 1.931 0.720 0.445 0.844 0.562 CB 1.349 33 residues pruned to eliminate duplicates Z: 10 9.504 1.858 0.610 0.461 0.889 0.444 CA 1.240 10 residues pruned to eliminate duplicates Z: 37 31.584 2.128 0.799 0.519 0.944 0.583 CB 1.429 37 residues pruned to eliminate duplicates Z: 37 29.327 2.108 0.898 0.506 0.889 0.694 CB 1.366 37 residues pruned to eliminate duplicates Z: 37 27.751 2.083 0.768 0.494 0.889 0.583 CB 1.421 37 residues pruned to eliminate duplicates Z: 8 12.020 1.836 0.636 0.583 1.000 0.571 CB 1.397 8 residues pruned to eliminate duplicates Z: 7 15.899 1.962 0.808 0.707 1.000 0.667 CB 1.515 7 residues pruned to eliminate duplicates Z: 9 19.763 2.000 0.857 0.701 1.000 0.875 CB 1.567 9 residues pruned to eliminate duplicates Z: 13 20.548 1.918 1.020 0.762 0.917 0.583 CB 1.324 6 residues pruned to eliminate duplicates Z: 13 22.558 1.911 0.955 0.770 1.000 0.750 CB 1.372 13 residues pruned to eliminate duplicates Z: 13 20.164 1.976 0.690 0.831 1.000 0.833 CB 1.309 13 residues pruned to eliminate duplicates Z: 17 19.011 1.988 0.894 0.616 0.875 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 16 24.075 2.078 1.141 0.656 0.933 0.800 CB 1.296 13 residues pruned to eliminate duplicates Z: 12 21.207 2.027 0.725 0.851 1.000 0.636 CB 1.353 12 residues pruned to eliminate duplicates Z: 15 21.751 2.150 0.884 0.651 0.929 0.643 CB 1.344 15 residues pruned to eliminate duplicates Z: 12 22.539 2.270 0.926 0.668 0.909 0.636 CB 1.464 12 residues pruned to eliminate duplicates Z: 50 33.260 2.176 0.668 0.532 0.878 0.592 CB 1.446 50 residues pruned to eliminate duplicates Z: 16 19.191 2.119 0.897 0.598 0.867 0.600 CB 1.296 16 residues pruned to eliminate duplicates Z: 16 17.105 2.086 0.667 0.615 0.867 0.600 CB 1.315 16 residues pruned to eliminate duplicates Z: 12 9.126 1.647 0.592 0.477 0.818 0.545 CB 1.313 12 residues pruned to eliminate duplicates Z: 12 8.002 1.782 0.484 0.457 0.818 0.545 CB 1.165 12 residues pruned to eliminate duplicates Z: 10 10.155 1.920 0.298 0.543 0.889 0.556 CB 1.465 10 residues pruned to eliminate duplicates Z: 20 14.773 1.838 0.600 0.516 0.895 0.684 CB 1.268 20 residues pruned to eliminate duplicates Z: 11 9.695 1.851 0.319 0.476 0.800 0.800 CB 1.609 11 residues pruned to eliminate duplicates Z: 13 7.549 1.682 0.454 0.347 0.833 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 21 13.219 1.945 0.509 0.411 0.850 0.500 CB 1.300 21 residues pruned to eliminate duplicates Z: 28 19.150 1.789 0.754 0.478 0.926 0.630 CB 1.296 39 residues pruned to eliminate duplicates Z: 13 10.798 1.640 0.700 0.470 0.917 0.750 CB 1.257 13 residues pruned to eliminate duplicates Z: 37 18.884 1.734 0.633 0.469 0.833 0.500 CB 1.377 37 residues pruned to eliminate duplicates Z: 10 21.805 2.027 1.112 0.681 0.889 0.444 CA 1.618 Z: 11 21.963 1.804 1.129 0.683 1.000 0.600 C 1.529 10 residues pruned to eliminate duplicates Z: 10 23.347 2.093 1.047 0.850 0.778 0.222 CA 1.730 10 residues pruned to eliminate duplicates Z: 16 17.354 1.959 1.017 0.564 0.800 0.467 CB 1.332 15 residues pruned to eliminate duplicates Z: 9 25.666 2.192 0.926 0.878 0.875 0.750 CA 1.784 11 residues pruned to eliminate duplicates Z: 11 20.026 1.880 1.372 0.748 0.800 0.400 CB 1.422 11 residues pruned to eliminate duplicates Z: 12 22.298 1.950 1.421 0.729 0.818 0.545 CA 1.416 12 residues pruned to eliminate duplicates Z: 17 12.866 1.755 0.930 0.596 0.750 0.500 CB 1.156 17 residues pruned to eliminate duplicates Z: 9 5.535 1.362 0.682 0.471 0.875 0.625 CB 1.005 9 residues pruned to eliminate duplicates Z: 21 17.771 1.968 0.709 0.487 0.900 0.500 CB 1.331 21 residues pruned to eliminate duplicates Z: 22 22.833 2.088 0.874 0.513 0.952 0.571 CB 1.320 22 residues pruned to eliminate duplicates Z: 22 22.819 2.123 0.816 0.498 0.905 0.619 CB 1.430 23 residues pruned to eliminate duplicates Z: 6 2.945 1.350 0.236 0.465 0.800 0.600 C 1.023 6 residues pruned to eliminate duplicates Z: 26 15.309 1.731 0.619 0.530 0.880 0.720 CB 1.205 26 residues pruned to eliminate duplicates Z: 12 14.475 1.909 0.691 0.638 0.818 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 23 17.217 1.812 0.482 0.563 0.955 0.818 CB 1.348 23 residues pruned to eliminate duplicates 458 residues left after pruning, divided into chains as follows: A: 130 B: 7 C: 10 D: 31 E: 43 F: 6 G: 15 H: 105 I: 91 J: 20 CC for partial structure against native data = 39.18 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.442, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.505, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.605, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.614, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.624, Connect. = 0.776 for dens.mod. cycle 5 = 0.300, Contrast = 0.629, Connect. = 0.778 for dens.mod. cycle 6 = 0.300, Contrast = 0.634, Connect. = 0.780 for dens.mod. cycle 7 = 0.300, Contrast = 0.637, Connect. = 0.781 for dens.mod. cycle 8 = 0.300, Contrast = 0.640, Connect. = 0.782 for dens.mod. cycle 9 = 0.300, Contrast = 0.641, Connect. = 0.782 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3145 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 675 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 86 51.699 2.313 0.886 0.501 0.882 0.588 CB 1.455 B: 21 24.805 2.298 1.080 0.460 0.800 0.500 CB 1.511 C: 26 34.888 2.325 0.943 0.606 0.920 0.600 CB 1.518 D: 24 38.422 2.313 1.232 0.614 0.913 0.652 CB 1.525 26 residues pruned to eliminate duplicates E: 27 30.640 2.231 0.920 0.561 0.885 0.615 CB 1.495 27 residues pruned to eliminate duplicates F: 94 56.066 2.284 0.802 0.472 0.903 0.613 CB 1.609 21 residues pruned to eliminate duplicates G: 20 27.357 2.244 1.302 0.487 0.789 0.526 CB 1.559 20 residues pruned to eliminate duplicates H: 67 51.672 2.317 0.957 0.520 0.924 0.667 CB 1.487 24 residues pruned to eliminate duplicates I: 19 20.295 2.178 0.807 0.515 0.889 0.722 CB 1.347 J: 20 28.103 2.348 0.957 0.481 0.895 0.474 CB 1.598 20 residues pruned to eliminate duplicates K: 39 27.369 2.019 0.690 0.480 0.868 0.474 CB 1.529 39 residues pruned to eliminate duplicates L: 50 41.355 2.234 0.747 0.481 0.939 0.551 CB 1.644 50 residues pruned to eliminate duplicates M: 64 52.409 2.292 0.995 0.530 0.905 0.571 CB 1.549 64 residues pruned to eliminate duplicates N: 13 14.551 2.048 0.919 0.403 0.917 0.500 CB 1.291 13 residues pruned to eliminate duplicates O: 8 11.160 2.138 0.360 0.602 1.000 0.714 CB 1.317 8 residues pruned to eliminate duplicates P: 20 24.187 2.156 0.680 0.506 1.000 0.579 CB 1.523 Q: 8 7.238 2.201 0.579 0.347 0.714 0.571 CA 1.300 R: 19 35.273 2.419 0.909 0.585 1.000 0.833 CB 1.659 19 residues pruned to eliminate duplicates S: 61 44.578 2.350 0.845 0.510 0.883 0.550 CB 1.489 60 residues pruned to eliminate duplicates T: 35 33.719 2.256 0.662 0.466 0.971 0.559 CB 1.646 35 residues pruned to eliminate duplicates U: 49 35.653 2.320 0.835 0.481 0.812 0.583 CB 1.517 49 residues pruned to eliminate duplicates V: 20 23.132 2.145 0.895 0.417 0.895 0.474 CB 1.591 20 residues pruned to eliminate duplicates W: 79 42.649 2.198 0.813 0.500 0.833 0.513 CB 1.455 79 residues pruned to eliminate duplicates X: 8 8.432 1.789 0.443 0.601 0.714 0.571 CA 1.569 Y: 21 24.383 2.271 0.969 0.466 0.850 0.650 CB 1.485 21 residues pruned to eliminate duplicates Z: 19 25.260 2.244 0.893 0.479 0.889 0.611 CB 1.610 19 residues pruned to eliminate duplicates Z: 45 40.450 2.353 0.830 0.487 0.909 0.545 CB 1.579 45 residues pruned to eliminate duplicates Z: 57 40.281 2.256 0.918 0.491 0.857 0.625 CB 1.465 57 residues pruned to eliminate duplicates Z: 27 18.693 2.030 0.793 0.468 0.846 0.577 CB 1.230 Z: 13 15.976 1.812 1.030 0.711 0.833 0.667 CB 1.242 Z: 74 50.556 2.333 0.860 0.515 0.849 0.603 CB 1.581 74 residues pruned to eliminate duplicates Z: 21 29.230 2.218 1.239 0.500 0.850 0.450 CB 1.549 21 residues pruned to eliminate duplicates Z: 59 36.662 2.226 0.850 0.464 0.793 0.534 CB 1.529 59 residues pruned to eliminate duplicates Z: 21 26.077 2.034 1.005 0.560 0.900 0.650 CA 1.499 13 residues pruned to eliminate duplicates Z: 24 40.496 2.391 1.056 0.649 0.957 0.739 CB 1.562 24 residues pruned to eliminate duplicates Z: 10 17.027 2.125 0.647 0.806 0.778 0.556 CA 1.597 Z: 41 42.873 2.378 1.093 0.542 0.825 0.600 CB 1.584 41 residues pruned to eliminate duplicates Z: 21 29.283 2.214 1.026 0.479 0.950 0.650 CA 1.569 21 residues pruned to eliminate duplicates Z: 70 47.447 2.350 0.803 0.492 0.870 0.609 CB 1.563 70 residues pruned to eliminate duplicates Z: 56 42.275 2.367 0.841 0.494 0.873 0.655 CB 1.508 56 residues pruned to eliminate duplicates Z: 23 23.867 2.078 0.754 0.503 1.000 0.591 CB 1.392 22 residues pruned to eliminate duplicates Z: 9 14.020 2.075 0.850 0.569 0.875 0.625 CB 1.381 9 residues pruned to eliminate duplicates Z: 55 42.424 2.306 0.635 0.477 0.944 0.593 CB 1.661 55 residues pruned to eliminate duplicates Z: 42 48.446 2.380 1.019 0.549 0.951 0.610 CB 1.578 42 residues pruned to eliminate duplicates Z: 75 42.093 2.296 0.701 0.479 0.865 0.500 CB 1.480 75 residues pruned to eliminate duplicates Z: 64 42.514 2.306 0.896 0.488 0.825 0.587 CB 1.502 64 residues pruned to eliminate duplicates Z: 12 28.512 1.969 1.111 0.836 1.000 0.545 CA 1.548 10 residues pruned to eliminate duplicates Z: 76 44.370 2.294 0.704 0.461 0.880 0.507 CB 1.551 76 residues pruned to eliminate duplicates Z: 55 42.174 2.290 0.655 0.466 0.963 0.537 CB 1.628 55 residues pruned to eliminate duplicates Z: 93 59.618 2.299 0.853 0.481 0.924 0.609 CB 1.610 94 residues pruned to eliminate duplicates Z: 7 11.185 1.908 0.489 0.716 1.000 0.667 CB 1.321 7 residues pruned to eliminate duplicates Z: 20 29.337 2.226 0.958 0.553 1.000 0.789 CB 1.467 Z: 86 45.684 2.291 0.818 0.508 0.847 0.588 CB 1.394 86 residues pruned to eliminate duplicates Z: 11 18.506 1.992 0.758 0.784 0.900 0.600 CA 1.446 11 residues pruned to eliminate duplicates Z: 25 22.685 2.007 0.849 0.494 0.917 0.625 CB 1.370 22 residues pruned to eliminate duplicates Z: 11 19.105 2.168 0.782 0.830 0.900 0.600 CB 1.306 Z: 11 15.302 2.124 0.860 0.416 0.900 0.600 CB 1.485 11 residues pruned to eliminate duplicates Z: 22 33.143 2.238 1.180 0.545 0.905 0.619 CB 1.568 22 residues pruned to eliminate duplicates Z: 59 37.540 2.244 0.663 0.440 0.897 0.517 CB 1.568 59 residues pruned to eliminate duplicates Z: 75 46.342 2.320 0.838 0.488 0.838 0.554 CB 1.526 75 residues pruned to eliminate duplicates Z: 7 8.085 1.821 0.464 0.730 1.000 0.667 CB 1.007 7 residues pruned to eliminate duplicates Z: 25 21.266 2.112 0.831 0.403 0.875 0.500 CB 1.421 25 residues pruned to eliminate duplicates Z: 73 55.331 2.295 0.843 0.519 0.931 0.569 CB 1.626 74 residues pruned to eliminate duplicates Z: 28 18.574 2.162 0.724 0.474 0.815 0.593 CB 1.208 19 residues pruned to eliminate duplicates Z: 26 17.158 2.171 0.625 0.431 0.720 0.520 CB 1.452 26 residues pruned to eliminate duplicates Z: 11 14.815 2.255 0.686 0.364 1.000 0.600 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 22.708 1.982 1.025 0.829 0.900 0.700 CA 1.495 11 residues pruned to eliminate duplicates Z: 6 11.209 2.016 0.276 0.765 1.000 0.800 CA 1.541 6 residues pruned to eliminate duplicates Z: 39 30.324 2.287 0.559 0.438 0.921 0.474 CB 1.596 39 residues pruned to eliminate duplicates Z: 78 49.129 2.257 0.743 0.487 0.896 0.584 CB 1.610 78 residues pruned to eliminate duplicates Z: 8 8.811 2.166 0.609 0.486 0.714 0.429 CB 1.356 8 residues pruned to eliminate duplicates Z: 17 14.709 2.313 0.680 0.379 0.812 0.562 CB 1.325 17 residues pruned to eliminate duplicates Z: 75 46.933 2.296 0.769 0.484 0.892 0.541 CB 1.531 75 residues pruned to eliminate duplicates Z: 10 20.175 2.144 0.924 0.798 0.778 0.667 CA 1.614 10 residues pruned to eliminate duplicates Z: 8 14.673 2.008 0.482 0.623 1.000 0.571 CB 1.659 8 residues pruned to eliminate duplicates Z: 24 21.453 1.976 0.899 0.454 0.826 0.522 CB 1.512 28 residues pruned to eliminate duplicates Z: 19 12.450 2.089 0.294 0.409 0.778 0.444 CB 1.536 16 residues pruned to eliminate duplicates Z: 22 24.545 2.176 0.784 0.485 0.952 0.667 CB 1.471 22 residues pruned to eliminate duplicates Z: 59 40.551 2.308 0.885 0.461 0.862 0.569 CB 1.477 59 residues pruned to eliminate duplicates Z: 53 45.407 2.351 0.715 0.475 0.942 0.577 CB 1.701 53 residues pruned to eliminate duplicates Z: 19 29.991 2.225 1.028 0.618 1.000 0.778 CB 1.402 19 residues pruned to eliminate duplicates Z: 43 23.811 2.049 0.551 0.448 0.905 0.595 CB 1.348 35 residues pruned to eliminate duplicates Z: 22 22.989 2.030 0.775 0.580 0.857 0.667 CB 1.503 8 residues pruned to eliminate duplicates Z: 20 27.203 2.198 0.993 0.555 0.947 0.737 CB 1.426 20 residues pruned to eliminate duplicates Z: 73 45.070 2.249 0.859 0.489 0.875 0.625 CB 1.468 62 residues pruned to eliminate duplicates Z: 25 30.258 2.227 1.009 0.523 0.875 0.542 CB 1.541 25 residues pruned to eliminate duplicates Z: 86 52.272 2.289 0.906 0.513 0.906 0.600 CB 1.417 86 residues pruned to eliminate duplicates Z: 69 46.831 2.270 0.937 0.545 0.824 0.588 CB 1.500 69 residues pruned to eliminate duplicates Z: 21 24.095 2.250 0.700 0.468 0.900 0.650 CB 1.617 21 residues pruned to eliminate duplicates Z: 44 48.375 2.372 1.034 0.547 0.907 0.535 CB 1.610 44 residues pruned to eliminate duplicates Z: 70 42.007 2.258 0.888 0.455 0.884 0.594 CB 1.405 70 residues pruned to eliminate duplicates Z: 20 16.707 2.166 0.698 0.498 0.789 0.684 CB 1.323 20 residues pruned to eliminate duplicates Z: 20 19.380 2.105 0.905 0.426 0.895 0.632 CB 1.338 20 residues pruned to eliminate duplicates Z: 22 25.454 2.206 0.941 0.488 0.810 0.524 CA 1.622 22 residues pruned to eliminate duplicates Z: 13 11.144 2.014 0.763 0.478 0.667 0.417 CB 1.390 12 residues pruned to eliminate duplicates Z: 24 37.795 2.342 1.073 0.621 0.957 0.609 CB 1.513 24 residues pruned to eliminate duplicates Z: 55 41.004 2.283 0.845 0.536 0.870 0.574 CB 1.470 55 residues pruned to eliminate duplicates Z: 64 41.134 2.304 0.747 0.505 0.857 0.587 CB 1.494 64 residues pruned to eliminate duplicates Z: 12 5.767 1.772 0.445 0.434 0.818 0.545 CB 0.889 12 residues pruned to eliminate duplicates Z: 69 46.276 2.278 0.885 0.476 0.897 0.559 CB 1.493 69 residues pruned to eliminate duplicates Z: 27 26.685 2.087 0.877 0.589 0.923 0.731 CB 1.329 17 residues pruned to eliminate duplicates Z: 13 11.888 2.027 0.571 0.314 0.917 0.667 CB 1.444 13 residues pruned to eliminate duplicates Z: 19 23.373 2.178 0.881 0.481 0.889 0.667 CB 1.542 19 residues pruned to eliminate duplicates Z: 57 45.583 2.361 0.861 0.514 0.875 0.679 CB 1.562 57 residues pruned to eliminate duplicates Z: 10 23.459 2.259 0.844 0.862 0.889 0.556 CB 1.551 11 residues pruned to eliminate duplicates Z: 26 18.602 1.998 0.698 0.546 0.880 0.640 CB 1.191 24 residues pruned to eliminate duplicates Z: 10 23.725 2.027 0.778 0.893 0.889 0.778 CA 1.772 10 residues pruned to eliminate duplicates Z: 21 23.535 2.036 0.630 0.564 0.950 0.700 CB 1.568 22 residues pruned to eliminate duplicates Z: 56 48.608 2.373 0.825 0.554 0.873 0.509 CB 1.646 56 residues pruned to eliminate duplicates Z: 23 24.068 2.066 0.814 0.488 0.955 0.636 CA 1.453 24 residues pruned to eliminate duplicates Z: 7 4.554 1.643 0.409 0.377 0.833 0.500 CB 1.099 Z: 55 44.329 2.225 1.073 0.526 0.889 0.574 CB 1.434 55 residues pruned to eliminate duplicates Z: 62 42.435 2.243 0.653 0.482 0.934 0.459 CB 1.597 62 residues pruned to eliminate duplicates Z: 43 29.865 2.193 0.622 0.459 0.857 0.524 CB 1.575 43 residues pruned to eliminate duplicates Z: 25 22.160 2.196 0.750 0.484 0.875 0.708 CB 1.368 25 residues pruned to eliminate duplicates Z: 34 26.387 1.977 0.675 0.606 0.970 0.727 CB 1.293 22 residues pruned to eliminate duplicates Z: 18 15.385 1.996 0.540 0.340 1.000 0.529 CA 1.445 18 residues pruned to eliminate duplicates Z: 13 10.646 1.820 0.647 0.552 0.917 0.667 CB 1.063 13 residues pruned to eliminate duplicates Z: 12 13.128 2.093 0.531 0.479 0.909 0.455 CB 1.388 11 residues pruned to eliminate duplicates Z: 41 37.183 2.251 0.978 0.501 0.850 0.525 CB 1.552 41 residues pruned to eliminate duplicates Z: 12 7.489 1.797 0.022 0.475 0.818 0.636 N 1.541 Z: 18 15.949 1.845 0.810 0.477 0.824 0.647 CB 1.440 18 residues pruned to eliminate duplicates Z: 16 16.670 2.168 0.847 0.454 0.867 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 27 26.533 2.106 0.819 0.547 0.885 0.577 CB 1.467 27 residues pruned to eliminate duplicates Z: 49 37.126 2.315 0.879 0.482 0.833 0.625 CB 1.506 49 residues pruned to eliminate duplicates Z: 22 22.293 2.163 0.988 0.451 0.857 0.619 CB 1.388 22 residues pruned to eliminate duplicates Z: 38 33.034 2.187 0.844 0.529 0.919 0.595 CB 1.424 38 residues pruned to eliminate duplicates Z: 10 15.478 2.049 0.954 0.506 0.778 0.556 C 1.647 10 residues pruned to eliminate duplicates Z: 18 21.260 2.149 0.538 0.451 1.000 0.647 CA 1.641 18 residues pruned to eliminate duplicates Z: 38 43.864 2.355 0.946 0.561 0.946 0.703 CB 1.568 38 residues pruned to eliminate duplicates Z: 24 20.779 2.067 0.793 0.516 0.870 0.565 CB 1.323 31 residues pruned to eliminate duplicates Z: 13 16.815 1.992 0.630 0.761 0.917 0.667 CB 1.293 11 residues pruned to eliminate duplicates Z: 29 32.035 2.280 0.917 0.571 0.857 0.643 CB 1.509 29 residues pruned to eliminate duplicates Z: 8 15.040 2.181 0.932 0.674 0.857 0.714 CB 1.340 8 residues pruned to eliminate duplicates Z: 13 10.367 1.869 0.496 0.568 0.833 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 26 25.895 2.118 0.869 0.501 0.920 0.640 CB 1.421 26 residues pruned to eliminate duplicates Z: 23 21.008 1.968 0.761 0.571 0.818 0.682 CB 1.475 23 residues pruned to eliminate duplicates Z: 13 15.968 1.967 1.077 0.641 0.833 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 40 34.477 2.258 0.704 0.511 0.897 0.615 CB 1.581 40 residues pruned to eliminate duplicates Z: 20 22.308 2.154 0.814 0.520 0.895 0.632 CB 1.436 20 residues pruned to eliminate duplicates Z: 77 51.387 2.324 0.708 0.474 0.934 0.579 CB 1.631 77 residues pruned to eliminate duplicates Z: 41 34.468 2.243 0.679 0.510 0.925 0.550 CB 1.549 41 residues pruned to eliminate duplicates Z: 52 45.443 2.331 0.929 0.532 0.843 0.647 CB 1.626 52 residues pruned to eliminate duplicates Z: 27 23.168 2.129 0.746 0.504 0.923 0.692 CB 1.319 27 residues pruned to eliminate duplicates Z: 26 32.829 2.254 1.049 0.587 0.840 0.720 CB 1.556 26 residues pruned to eliminate duplicates Z: 17 17.315 2.160 0.929 0.465 0.812 0.625 CB 1.325 17 residues pruned to eliminate duplicates Z: 83 47.799 2.249 0.868 0.487 0.866 0.598 CB 1.471 83 residues pruned to eliminate duplicates Z: 39 31.349 2.222 0.686 0.458 0.895 0.447 CB 1.583 39 residues pruned to eliminate duplicates Z: 6 6.391 1.930 -0.098 0.727 1.000 0.600 CB 1.338 6 residues pruned to eliminate duplicates Z: 38 37.795 2.249 0.745 0.477 1.000 0.595 CB 1.621 38 residues pruned to eliminate duplicates Z: 10 15.710 1.970 0.354 0.880 0.889 0.556 CA 1.600 10 residues pruned to eliminate duplicates Z: 8 9.728 2.029 0.583 0.656 0.857 0.571 CB 1.155 8 residues pruned to eliminate duplicates Z: 51 28.720 1.998 0.654 0.510 0.920 0.640 CB 1.322 51 residues pruned to eliminate duplicates Z: 9 6.028 1.850 -0.138 0.530 1.000 0.875 N 1.297 9 residues pruned to eliminate duplicates Z: 71 53.067 2.364 0.818 0.470 0.914 0.614 CB 1.665 71 residues pruned to eliminate duplicates Z: 12 19.418 1.948 1.056 0.622 0.909 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 8 8.038 1.769 0.675 0.542 1.000 0.714 CB 0.984 8 residues pruned to eliminate duplicates Z: 19 13.598 2.154 0.486 0.390 0.833 0.667 CB 1.350 19 residues pruned to eliminate duplicates Z: 11 27.553 2.183 1.116 0.821 1.000 0.600 CB 1.428 10 residues pruned to eliminate duplicates Z: 70 37.215 2.258 0.578 0.458 0.870 0.652 CB 1.509 70 residues pruned to eliminate duplicates Z: 29 29.978 2.303 0.679 0.548 0.821 0.536 CB 1.701 29 residues pruned to eliminate duplicates Z: 13 10.730 1.709 0.729 0.582 0.833 0.667 C 1.162 Z: 24 15.790 2.198 0.703 0.345 0.739 0.478 CB 1.409 24 residues pruned to eliminate duplicates Z: 59 34.712 2.192 0.675 0.494 0.879 0.552 CB 1.421 59 residues pruned to eliminate duplicates Z: 16 16.563 2.167 0.534 0.515 1.000 0.600 CB 1.267 16 residues pruned to eliminate duplicates Z: 12 10.476 1.789 0.523 0.604 0.909 0.818 CB 1.155 Z: 30 23.986 2.100 0.640 0.490 0.966 0.586 CB 1.353 30 residues pruned to eliminate duplicates Z: 25 23.729 1.952 0.795 0.589 0.958 0.750 CB 1.324 25 residues pruned to eliminate duplicates Z: 18 16.082 1.995 0.736 0.539 0.882 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 13 16.298 2.015 0.910 0.475 0.833 0.583 CB 1.505 13 residues pruned to eliminate duplicates Z: 24 19.413 1.879 0.675 0.605 0.870 0.783 CB 1.338 23 residues pruned to eliminate duplicates Z: 35 23.321 2.229 0.669 0.419 0.824 0.618 CB 1.420 35 residues pruned to eliminate duplicates Z: 60 45.821 2.289 0.711 0.512 0.932 0.610 CB 1.615 60 residues pruned to eliminate duplicates Z: 10 7.297 1.970 0.304 0.404 1.000 0.556 CB 1.048 10 residues pruned to eliminate duplicates Z: 16 10.926 1.681 0.451 0.491 0.800 0.467 C 1.459 13 residues pruned to eliminate duplicates Z: 36 27.230 2.216 0.577 0.430 0.886 0.429 CB 1.599 36 residues pruned to eliminate duplicates Z: 86 53.748 2.286 0.952 0.507 0.871 0.529 CB 1.490 86 residues pruned to eliminate duplicates Z: 43 41.125 2.342 0.929 0.529 0.857 0.595 CB 1.593 43 residues pruned to eliminate duplicates Z: 25 13.393 1.804 0.484 0.510 0.875 0.667 CB 1.155 23 residues pruned to eliminate duplicates Z: 74 28.192 2.059 0.678 0.413 0.836 0.630 CB 1.252 74 residues pruned to eliminate duplicates Z: 31 23.462 2.088 0.700 0.498 0.900 0.600 CB 1.344 37 residues pruned to eliminate duplicates Z: 12 17.148 1.998 0.544 0.816 1.000 0.727 CB 1.273 12 residues pruned to eliminate duplicates Z: 16 17.258 2.211 0.461 0.482 0.933 0.600 CB 1.504 16 residues pruned to eliminate duplicates Z: 58 52.976 2.338 0.888 0.553 0.947 0.667 CB 1.593 58 residues pruned to eliminate duplicates Z: 59 39.518 2.264 0.732 0.463 0.897 0.552 CB 1.532 94 residues pruned to eliminate duplicates Z: 23 23.062 1.923 0.729 0.593 0.909 0.636 CB 1.489 22 residues pruned to eliminate duplicates Z: 9 17.054 1.976 0.429 0.862 1.000 0.750 CA 1.567 9 residues pruned to eliminate duplicates Z: 70 47.199 2.264 0.643 0.495 0.928 0.507 CB 1.655 70 residues pruned to eliminate duplicates Z: 77 43.955 2.279 0.813 0.482 0.855 0.500 CB 1.453 77 residues pruned to eliminate duplicates Z: 11 21.485 2.194 0.686 0.820 1.000 0.600 CB 1.392 13 residues pruned to eliminate duplicates Z: 47 40.007 2.304 1.009 0.471 0.848 0.609 CB 1.548 47 residues pruned to eliminate duplicates Z: 39 35.831 2.250 0.697 0.516 0.921 0.605 CB 1.627 39 residues pruned to eliminate duplicates Z: 6 5.073 1.958 0.218 0.679 0.600 0.400 CB 1.344 Z: 11 10.208 2.014 0.399 0.613 0.800 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 16 15.723 2.009 0.685 0.349 0.867 0.533 CA 1.630 16 residues pruned to eliminate duplicates Z: 23 22.561 2.123 1.041 0.428 0.864 0.682 CB 1.385 23 residues pruned to eliminate duplicates Z: 15 8.041 1.682 0.449 0.372 0.786 0.500 CB 1.288 Z: 22 20.529 2.164 0.679 0.506 0.952 0.619 CB 1.287 23 residues pruned to eliminate duplicates Z: 25 14.362 1.776 0.700 0.538 0.833 0.583 CB 1.123 41 residues pruned to eliminate duplicates Z: 23 16.578 2.087 0.515 0.448 0.955 0.500 CB 1.235 23 residues pruned to eliminate duplicates Z: 55 42.010 2.320 0.706 0.478 0.889 0.537 CB 1.662 55 residues pruned to eliminate duplicates Z: 14 15.531 2.217 0.454 0.563 0.923 0.538 CB 1.362 14 residues pruned to eliminate duplicates Z: 20 20.005 2.093 0.893 0.452 0.895 0.632 CB 1.359 20 residues pruned to eliminate duplicates Z: 13 12.792 1.762 0.617 0.611 0.917 0.750 CB 1.273 13 residues pruned to eliminate duplicates Z: 11 15.202 2.054 0.693 0.477 0.900 0.600 CB 1.571 11 residues pruned to eliminate duplicates Z: 21 17.478 2.174 0.871 0.420 0.800 0.550 CB 1.305 21 residues pruned to eliminate duplicates Z: 20 25.831 2.003 0.766 0.635 0.947 0.789 CB 1.558 23 residues pruned to eliminate duplicates Z: 10 14.741 1.909 0.591 0.709 0.889 0.889 CB 1.506 10 residues pruned to eliminate duplicates Z: 17 10.142 2.184 0.401 0.363 0.750 0.375 CB 1.279 17 residues pruned to eliminate duplicates Z: 23 23.745 2.083 0.808 0.540 1.000 0.636 CB 1.293 23 residues pruned to eliminate duplicates Z: 17 9.569 1.911 0.998 0.303 0.688 0.438 CB 1.135 17 residues pruned to eliminate duplicates Z: 7 2.185 1.552 0.008 0.417 0.833 0.333 CA 0.746 Z: 29 19.717 1.903 0.605 0.587 0.929 0.679 CB 1.208 29 residues pruned to eliminate duplicates Z: 44 28.391 1.977 0.800 0.544 0.953 0.628 CB 1.222 44 residues pruned to eliminate duplicates Z: 23 22.006 2.074 0.840 0.518 0.864 0.636 CB 1.399 23 residues pruned to eliminate duplicates Z: 15 15.201 2.257 0.614 0.467 0.857 0.500 CB 1.346 15 residues pruned to eliminate duplicates Z: 11 21.131 2.215 0.496 0.873 1.000 0.700 CB 1.469 11 residues pruned to eliminate duplicates Z: 37 38.543 2.322 1.061 0.485 0.861 0.667 CB 1.583 37 residues pruned to eliminate duplicates Z: 77 50.587 2.249 0.765 0.489 0.934 0.566 CB 1.582 77 residues pruned to eliminate duplicates Z: 6 4.884 1.835 0.960 0.341 0.600 0.400 CA 1.204 6 residues pruned to eliminate duplicates Z: 10 6.342 1.599 0.142 0.534 0.889 0.444 O 1.259 Z: 7 5.543 1.551 1.240 0.499 0.833 0.500 CB 0.782 7 residues pruned to eliminate duplicates Z: 6 7.378 1.851 0.368 0.721 0.800 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 66 38.503 2.270 0.776 0.481 0.815 0.615 CB 1.481 66 residues pruned to eliminate duplicates Z: 9 10.919 2.012 0.831 0.579 0.875 0.375 CB 1.110 9 residues pruned to eliminate duplicates Z: 50 33.004 2.051 0.790 0.515 0.939 0.633 CB 1.347 50 residues pruned to eliminate duplicates Z: 8 12.192 1.753 0.602 0.734 1.000 0.857 C 1.330 Z: 11 8.381 1.870 0.035 0.559 0.800 0.700 CB 1.616 12 residues pruned to eliminate duplicates Z: 19 24.329 2.244 0.727 0.534 1.000 0.611 CB 1.431 19 residues pruned to eliminate duplicates Z: 38 31.713 2.226 0.526 0.483 0.973 0.568 CB 1.604 38 residues pruned to eliminate duplicates Z: 22 12.008 1.932 0.527 0.484 0.810 0.571 CB 1.115 22 residues pruned to eliminate duplicates Z: 8 7.807 1.849 0.302 0.597 0.857 0.571 CB 1.304 8 residues pruned to eliminate duplicates Z: 24 21.332 2.065 0.784 0.531 0.913 0.696 CB 1.282 24 residues pruned to eliminate duplicates Z: 33 24.478 2.221 0.645 0.455 0.812 0.531 CB 1.527 33 residues pruned to eliminate duplicates Z: 11 12.271 2.242 0.315 0.481 0.900 0.600 CB 1.490 11 residues pruned to eliminate duplicates Z: 68 52.787 2.301 0.980 0.564 0.881 0.582 CB 1.511 68 residues pruned to eliminate duplicates Z: 15 19.736 2.071 0.803 0.570 0.929 0.714 CA 1.421 15 residues pruned to eliminate duplicates Z: 66 49.181 2.253 0.926 0.526 0.877 0.554 CB 1.562 84 residues pruned to eliminate duplicates Z: 20 25.264 2.171 0.958 0.539 0.895 0.684 CB 1.468 20 residues pruned to eliminate duplicates Z: 11 19.773 2.157 0.622 0.835 0.900 0.600 CB 1.487 Z: 8 6.891 1.805 0.389 0.579 0.714 0.571 CA 1.349 8 residues pruned to eliminate duplicates Z: 8 13.494 1.774 0.813 0.705 1.000 1.000 CA 1.315 8 residues pruned to eliminate duplicates Z: 9 6.013 1.613 0.178 0.660 1.000 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 9 14.969 1.883 0.669 0.836 1.000 0.875 CB 1.260 9 residues pruned to eliminate duplicates Z: 24 31.999 2.263 0.892 0.636 0.957 0.696 CB 1.434 24 residues pruned to eliminate duplicates Z: 59 45.355 2.276 0.727 0.485 0.948 0.534 CB 1.623 59 residues pruned to eliminate duplicates Z: 12 16.903 2.007 0.737 0.761 0.909 0.727 CB 1.275 11 residues pruned to eliminate duplicates Z: 12 20.442 2.060 1.012 0.723 0.909 0.818 CB 1.337 Z: 6 7.456 1.488 1.539 0.687 1.000 0.400 CB 0.743 6 residues pruned to eliminate duplicates Z: 22 19.526 2.042 0.674 0.606 0.857 0.714 CB 1.315 22 residues pruned to eliminate duplicates Z: 40 35.354 2.244 0.558 0.474 0.974 0.564 CB 1.707 40 residues pruned to eliminate duplicates Z: 22 21.137 1.991 0.757 0.538 0.857 0.714 CB 1.482 22 residues pruned to eliminate duplicates Z: 21 12.763 2.023 0.469 0.391 0.850 0.350 CB 1.268 21 residues pruned to eliminate duplicates Z: 31 26.071 2.125 0.701 0.506 0.933 0.633 CB 1.402 31 residues pruned to eliminate duplicates Z: 69 47.286 2.321 0.846 0.467 0.897 0.529 CB 1.542 69 residues pruned to eliminate duplicates Z: 72 49.624 2.316 0.746 0.444 0.915 0.563 CB 1.685 72 residues pruned to eliminate duplicates Z: 17 14.403 2.077 0.863 0.390 0.812 0.438 CB 1.287 15 residues pruned to eliminate duplicates Z: 26 23.013 2.208 0.428 0.469 0.920 0.560 CB 1.636 26 residues pruned to eliminate duplicates Z: 41 22.576 2.158 0.786 0.442 0.750 0.475 CB 1.311 41 residues pruned to eliminate duplicates Z: 62 41.157 2.228 0.646 0.502 0.918 0.623 CB 1.562 62 residues pruned to eliminate duplicates Z: 37 28.238 2.106 0.738 0.521 0.917 0.694 CB 1.375 37 residues pruned to eliminate duplicates Z: 45 35.720 2.300 0.607 0.458 0.909 0.545 CB 1.673 45 residues pruned to eliminate duplicates Z: 24 17.923 2.050 0.577 0.520 0.957 0.609 CB 1.185 24 residues pruned to eliminate duplicates Z: 10 22.708 2.089 0.668 0.882 1.000 0.556 CA 1.572 10 residues pruned to eliminate duplicates Z: 8 7.515 1.916 -0.049 0.618 0.857 0.714 CB 1.627 Z: 13 11.616 1.849 0.658 0.543 0.917 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 75 41.418 2.290 0.767 0.481 0.851 0.541 CB 1.425 75 residues pruned to eliminate duplicates Z: 7 6.188 1.723 0.200 0.652 0.833 0.667 CB 1.272 7 residues pruned to eliminate duplicates Z: 10 3.750 1.452 0.399 0.243 1.000 0.333 N 0.828 10 residues pruned to eliminate duplicates Z: 13 22.106 2.359 0.751 0.561 0.833 0.667 CB 1.748 13 residues pruned to eliminate duplicates Z: 20 15.133 2.144 0.468 0.488 0.895 0.526 CB 1.248 20 residues pruned to eliminate duplicates Z: 23 22.080 1.965 0.804 0.592 0.864 0.727 CB 1.408 23 residues pruned to eliminate duplicates Z: 76 44.259 2.223 0.679 0.461 0.893 0.480 CB 1.595 76 residues pruned to eliminate duplicates Z: 7 5.620 1.775 -0.004 0.729 1.000 1.000 CB 1.056 Z: 71 43.892 2.212 0.758 0.486 0.900 0.557 CB 1.520 71 residues pruned to eliminate duplicates Z: 17 7.780 1.773 0.714 0.323 0.688 0.375 CB 1.131 17 residues pruned to eliminate duplicates Z: 6 3.014 1.732 0.907 0.296 0.400 0.400 C 1.281 6 residues pruned to eliminate duplicates Z: 50 38.036 2.297 0.826 0.511 0.837 0.551 CB 1.532 50 residues pruned to eliminate duplicates Z: 25 19.257 2.091 0.716 0.410 0.833 0.583 CB 1.445 25 residues pruned to eliminate duplicates Z: 7 2.848 1.616 0.194 0.376 0.667 0.167 CA 1.031 Z: 69 43.110 2.341 0.735 0.485 0.838 0.544 CB 1.558 69 residues pruned to eliminate duplicates Z: 85 40.211 2.048 0.742 0.472 0.952 0.560 CB 1.328 85 residues pruned to eliminate duplicates Z: 40 35.750 2.265 0.685 0.510 0.923 0.564 CB 1.609 40 residues pruned to eliminate duplicates Z: 11 20.691 2.046 0.776 0.851 1.000 0.700 CA 1.333 11 residues pruned to eliminate duplicates Z: 16 22.545 2.181 0.634 0.534 1.000 0.667 CB 1.579 16 residues pruned to eliminate duplicates Z: 21 12.559 2.103 0.626 0.378 0.800 0.550 CB 1.169 21 residues pruned to eliminate duplicates Z: 100 49.169 2.178 0.835 0.486 0.889 0.566 CB 1.411 100 residues pruned to eliminate duplicates Z: 13 8.854 1.893 0.724 0.391 0.833 0.500 CB 1.054 13 residues pruned to eliminate duplicates Z: 6 5.245 1.967 -0.297 0.765 1.000 0.600 CB 1.340 Z: 7 3.372 1.369 -0.100 0.713 1.000 0.667 CB 0.920 Z: 95 52.068 2.238 0.753 0.475 0.904 0.585 CB 1.553 95 residues pruned to eliminate duplicates Z: 6 4.644 1.723 0.033 0.668 1.000 0.600 CB 0.999 6 residues pruned to eliminate duplicates Z: 24 16.593 1.791 0.482 0.582 1.000 0.652 CB 1.205 24 residues pruned to eliminate duplicates Z: 16 25.983 2.321 0.827 0.644 0.933 0.667 CB 1.482 16 residues pruned to eliminate duplicates Z: 6 2.808 1.775 -0.249 0.641 0.800 0.600 CB 1.033 Z: 19 20.766 2.167 0.533 0.490 1.000 0.667 CB 1.488 19 residues pruned to eliminate duplicates Z: 6 5.146 1.750 -0.305 0.713 1.000 0.600 O 1.561 6 residues pruned to eliminate duplicates Z: 6 5.553 1.839 0.096 0.793 0.800 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 44 35.872 2.281 0.728 0.460 0.953 0.605 CB 1.517 44 residues pruned to eliminate duplicates Z: 7 13.141 1.961 0.739 0.690 1.000 0.833 CB 1.322 7 residues pruned to eliminate duplicates Z: 24 25.138 2.226 0.590 0.514 0.957 0.609 CB 1.528 31 residues pruned to eliminate duplicates Z: 24 29.453 2.325 0.969 0.498 0.957 0.652 CB 1.405 24 residues pruned to eliminate duplicates Z: 24 22.242 2.080 0.850 0.478 0.957 0.652 CB 1.288 24 residues pruned to eliminate duplicates Z: 9 6.467 1.578 0.721 0.537 0.875 0.750 CB 0.928 Z: 11 18.407 1.844 0.695 0.653 1.000 0.900 C 1.615 9 residues pruned to eliminate duplicates Z: 18 19.124 2.106 0.757 0.534 0.941 0.765 CB 1.287 18 residues pruned to eliminate duplicates Z: 22 22.023 2.000 0.705 0.545 0.905 0.714 CB 1.490 22 residues pruned to eliminate duplicates Z: 22 19.463 1.953 0.563 0.519 0.905 0.667 CB 1.508 22 residues pruned to eliminate duplicates Z: 50 37.928 2.314 0.848 0.456 0.857 0.551 CB 1.545 50 residues pruned to eliminate duplicates Z: 56 43.105 2.271 0.924 0.541 0.909 0.618 CB 1.406 56 residues pruned to eliminate duplicates Z: 20 15.947 2.038 0.440 0.389 0.895 0.526 CA 1.566 20 residues pruned to eliminate duplicates Z: 8 10.736 1.819 0.646 0.663 0.857 0.857 CA 1.359 8 residues pruned to eliminate duplicates Z: 20 14.669 1.878 0.564 0.485 0.895 0.526 CB 1.300 20 residues pruned to eliminate duplicates Z: 23 18.667 2.136 0.609 0.438 0.864 0.545 CB 1.430 23 residues pruned to eliminate duplicates Z: 9 14.036 1.765 0.730 0.707 1.000 0.750 CA 1.346 8 residues pruned to eliminate duplicates Z: 20 22.385 2.121 0.772 0.491 1.000 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 20 23.725 2.080 0.755 0.614 1.000 0.579 CB 1.339 21 residues pruned to eliminate duplicates Z: 34 34.907 2.277 0.701 0.573 0.909 0.485 CB 1.609 34 residues pruned to eliminate duplicates Z: 52 25.086 2.031 0.617 0.474 0.843 0.667 CB 1.302 52 residues pruned to eliminate duplicates Z: 29 17.661 1.905 0.651 0.452 0.786 0.464 CB 1.418 18 residues pruned to eliminate duplicates Z: 80 42.934 2.286 0.808 0.470 0.848 0.570 CB 1.420 109 residues pruned to eliminate duplicates Z: 24 17.718 2.049 0.703 0.471 0.870 0.565 CB 1.254 24 residues pruned to eliminate duplicates Z: 10 6.902 1.741 0.625 0.389 0.778 0.667 CB 1.177 10 residues pruned to eliminate duplicates Z: 20 16.502 1.995 0.509 0.448 0.895 0.526 CB 1.482 20 residues pruned to eliminate duplicates Z: 44 23.952 1.937 0.689 0.511 0.907 0.605 CB 1.217 44 residues pruned to eliminate duplicates Z: 16 13.344 1.842 0.770 0.519 1.000 0.533 CB 1.037 16 residues pruned to eliminate duplicates Z: 32 25.248 2.178 0.925 0.455 0.774 0.581 CB 1.462 32 residues pruned to eliminate duplicates Z: 10 12.934 2.153 0.549 0.698 0.889 0.556 CB 1.214 10 residues pruned to eliminate duplicates Z: 14 14.195 2.123 0.966 0.437 0.769 0.769 CA 1.309 14 residues pruned to eliminate duplicates Z: 11 9.749 1.718 0.695 0.666 0.900 0.900 CB 1.009 11 residues pruned to eliminate duplicates Z: 24 25.374 1.913 0.857 0.589 1.000 0.739 CB 1.368 24 residues pruned to eliminate duplicates Z: 25 17.183 2.006 0.548 0.464 0.917 0.667 CB 1.278 25 residues pruned to eliminate duplicates Z: 18 18.037 2.150 0.624 0.407 0.882 0.529 CB 1.565 18 residues pruned to eliminate duplicates Z: 56 44.586 2.261 0.748 0.483 0.945 0.600 CB 1.637 56 residues pruned to eliminate duplicates Z: 26 17.405 2.046 0.538 0.469 0.840 0.640 CB 1.359 26 residues pruned to eliminate duplicates Z: 15 16.772 2.169 0.759 0.404 0.857 0.500 CB 1.516 15 residues pruned to eliminate duplicates Z: 6 3.001 1.858 -0.283 0.615 0.800 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 14 4.410 1.683 0.554 0.307 0.692 0.462 CA 0.838 14 residues pruned to eliminate duplicates Z: 54 44.877 2.334 0.945 0.494 0.868 0.566 CB 1.574 54 residues pruned to eliminate duplicates Z: 12 8.767 2.049 0.380 0.344 0.727 0.273 CB 1.523 12 residues pruned to eliminate duplicates Z: 11 6.542 1.823 0.397 0.487 0.800 0.500 CB 1.029 11 residues pruned to eliminate duplicates Z: 16 7.125 1.555 0.830 0.302 0.733 0.400 CB 1.099 16 residues pruned to eliminate duplicates Z: 8 4.181 1.678 0.034 0.305 1.000 0.571 CB 1.131 Z: 11 15.452 1.992 0.504 0.741 0.900 0.700 CA 1.461 11 residues pruned to eliminate duplicates Z: 63 40.692 2.294 0.755 0.468 0.887 0.661 CB 1.495 63 residues pruned to eliminate duplicates Z: 8 6.010 1.620 0.261 0.786 0.857 0.429 CB 1.008 8 residues pruned to eliminate duplicates Z: 7 4.560 1.705 0.427 0.327 0.833 0.333 CB 1.111 7 residues pruned to eliminate duplicates Z: 19 14.461 1.827 0.718 0.382 0.889 0.556 CB 1.385 19 residues pruned to eliminate duplicates Z: 7 4.923 1.950 -0.239 0.610 1.000 0.833 CB 1.220 7 residues pruned to eliminate duplicates Z: 12 13.519 1.993 0.374 0.815 0.909 0.909 CB 1.244 12 residues pruned to eliminate duplicates Z: 35 28.842 2.185 0.968 0.514 0.824 0.588 CB 1.378 47 residues pruned to eliminate duplicates Z: 32 25.402 2.209 0.723 0.475 0.871 0.548 CB 1.412 32 residues pruned to eliminate duplicates Z: 19 20.022 2.201 0.530 0.396 1.000 0.500 CB 1.564 19 residues pruned to eliminate duplicates Z: 6 11.000 2.026 0.428 0.674 1.000 0.800 CB 1.448 6 residues pruned to eliminate duplicates Z: 10 8.837 1.653 1.025 0.349 0.778 0.556 O 1.333 Z: 38 26.120 1.914 0.670 0.578 0.892 0.649 CB 1.397 32 residues pruned to eliminate duplicates Z: 6 9.837 1.769 0.783 0.640 1.000 0.800 CA 1.223 6 residues pruned to eliminate duplicates 6 0.942 1.684 -0.146 0.252 0.600 0.400 CB 0.649 ? Z: 14 15.444 1.740 0.975 0.554 0.923 0.615 C 1.281 8 residues pruned to eliminate duplicates Z: 73 47.254 2.192 0.759 0.536 0.889 0.625 CB 1.569 73 residues pruned to eliminate duplicates Z: 12 5.594 1.592 0.227 0.373 0.909 0.455 CB 1.089 12 residues pruned to eliminate duplicates Z: 21 14.744 2.050 0.501 0.459 0.850 0.650 CB 1.314 21 residues pruned to eliminate duplicates Z: 13 10.910 1.755 0.560 0.540 0.917 0.667 CB 1.207 13 residues pruned to eliminate duplicates Z: 21 31.501 2.269 1.087 0.534 0.900 0.650 CB 1.599 21 residues pruned to eliminate duplicates Z: 12 13.098 2.015 0.805 0.417 1.000 0.818 CB 1.185 12 residues pruned to eliminate duplicates Z: 6 2.292 1.541 -0.122 0.415 1.000 0.600 CB 0.827 Z: 7 7.070 1.666 0.381 0.514 0.833 0.667 O 1.485 7 residues pruned to eliminate duplicates Z: 52 42.824 2.359 0.878 0.501 0.882 0.608 CB 1.532 52 residues pruned to eliminate duplicates Z: 13 13.056 2.218 0.513 0.506 0.917 0.583 CB 1.218 13 residues pruned to eliminate duplicates Z: 13 13.412 1.811 0.693 0.644 0.917 0.833 CB 1.203 13 residues pruned to eliminate duplicates Z: 8 9.005 1.683 0.615 0.585 1.000 0.714 CB 1.154 8 residues pruned to eliminate duplicates Z: 11 4.711 1.569 0.372 0.463 0.700 0.600 CB 1.026 11 residues pruned to eliminate duplicates Z: 21 19.774 2.162 0.711 0.443 0.850 0.650 CB 1.491 21 residues pruned to eliminate duplicates Z: 11 4.309 1.497 0.687 0.346 0.700 0.400 C 0.911 11 residues pruned to eliminate duplicates Z: 22 22.840 1.932 0.600 0.629 1.000 0.667 CB 1.427 22 residues pruned to eliminate duplicates Z: 6 2.781 1.726 0.390 0.346 0.800 0.400 CB 0.766 Z: 16 25.134 2.004 1.211 0.611 0.867 0.733 CB 1.521 17 residues pruned to eliminate duplicates Z: 11 14.921 2.004 0.613 0.801 0.900 0.600 CA 1.247 11 residues pruned to eliminate duplicates Z: 11 4.855 1.623 -0.007 0.560 1.000 0.500 CB 0.899 Z: 14 17.883 1.754 0.753 0.731 0.923 0.769 CB 1.420 14 residues pruned to eliminate duplicates Z: 12 6.704 1.805 0.257 0.396 0.909 0.455 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 6.011 1.622 0.099 0.645 1.000 0.667 CB 1.203 Z: 25 12.448 1.989 0.569 0.322 0.833 0.333 CB 1.188 25 residues pruned to eliminate duplicates Z: 71 40.252 2.243 0.755 0.477 0.871 0.600 CB 1.436 71 residues pruned to eliminate duplicates Z: 14 14.139 1.843 0.577 0.678 1.000 0.769 CB 1.145 14 residues pruned to eliminate duplicates Z: 13 7.991 1.675 0.488 0.411 0.833 0.667 CB 1.220 13 residues pruned to eliminate duplicates Z: 12 19.401 2.165 0.935 0.493 0.909 0.455 CB 1.547 12 residues pruned to eliminate duplicates Z: 29 16.137 1.892 0.666 0.451 0.821 0.536 CB 1.239 29 residues pruned to eliminate duplicates Z: 18 20.179 2.024 0.529 0.497 1.000 0.706 CA 1.587 18 residues pruned to eliminate duplicates Z: 23 19.438 1.911 0.656 0.554 0.864 0.727 CB 1.438 23 residues pruned to eliminate duplicates Z: 7 2.389 1.417 0.380 0.245 0.833 0.333 CB 0.803 Z: 9 3.248 1.457 0.375 0.356 0.750 0.375 CB 0.893 9 residues pruned to eliminate duplicates Z: 60 44.592 2.275 0.747 0.476 0.949 0.576 CB 1.577 60 residues pruned to eliminate duplicates Z: 10 4.769 1.681 0.943 0.240 0.667 0.333 CA 0.987 Z: 8 2.976 1.689 0.152 0.123 0.714 0.429 CB 1.299 8 residues pruned to eliminate duplicates Z: 21 14.087 2.037 0.721 0.448 0.800 0.500 CB 1.185 21 residues pruned to eliminate duplicates Z: 6 7.517 1.539 0.825 0.741 1.000 0.800 CB 0.964 Z: 36 29.175 2.047 0.773 0.599 0.943 0.629 CB 1.311 38 residues pruned to eliminate duplicates Z: 39 45.750 2.354 0.988 0.612 0.895 0.684 CB 1.594 39 residues pruned to eliminate duplicates Z: 55 39.852 2.277 0.630 0.487 0.944 0.630 CB 1.567 55 residues pruned to eliminate duplicates Z: 21 20.260 2.046 0.608 0.551 0.900 0.600 CB 1.456 21 residues pruned to eliminate duplicates Z: 40 34.196 2.264 0.655 0.448 0.949 0.564 CB 1.626 40 residues pruned to eliminate duplicates Z: 54 42.918 2.301 0.736 0.454 0.925 0.585 CB 1.674 54 residues pruned to eliminate duplicates Z: 30 26.043 2.072 0.666 0.560 0.966 0.517 CB 1.369 30 residues pruned to eliminate duplicates Z: 22 16.414 1.865 0.738 0.444 0.857 0.476 CB 1.365 22 residues pruned to eliminate duplicates Z: 11 12.272 1.826 0.520 0.574 0.900 0.700 CB 1.447 11 residues pruned to eliminate duplicates 7 1.689 1.705 -0.591 0.760 1.000 0.833 CB 0.785 ? Z: 7 5.895 1.767 -0.330 0.868 1.000 1.000 N 1.486 6 residues pruned to eliminate duplicates Z: 11 17.170 1.872 0.882 0.812 0.800 0.600 CA 1.469 11 residues pruned to eliminate duplicates Z: 7 11.179 1.949 0.500 0.634 0.833 0.667 CB 1.652 7 residues pruned to eliminate duplicates Z: 89 43.420 2.215 0.788 0.450 0.852 0.568 CB 1.443 89 residues pruned to eliminate duplicates Z: 19 12.774 2.066 0.536 0.436 0.833 0.611 CB 1.217 19 residues pruned to eliminate duplicates Z: 23 17.982 2.126 0.608 0.502 0.909 0.727 CB 1.231 23 residues pruned to eliminate duplicates Z: 7 5.536 1.915 -0.088 0.440 1.000 0.500 CA 1.378 7 residues pruned to eliminate duplicates Z: 50 34.140 2.122 0.662 0.495 0.918 0.531 CB 1.513 50 residues pruned to eliminate duplicates Z: 21 24.042 2.139 1.037 0.581 0.950 0.700 CB 1.202 21 residues pruned to eliminate duplicates Z: 15 9.310 1.667 0.316 0.545 0.857 0.643 CB 1.266 15 residues pruned to eliminate duplicates Z: 126 54.207 2.200 0.761 0.482 0.880 0.576 CB 1.448 83 residues pruned to eliminate duplicates Z: 19 12.916 1.972 0.810 0.328 0.778 0.444 CA 1.325 19 residues pruned to eliminate duplicates Z: 13 11.744 2.003 0.277 0.431 0.917 0.583 CA 1.553 13 residues pruned to eliminate duplicates Z: 22 22.444 2.151 0.826 0.505 0.857 0.571 CB 1.447 6 residues pruned to eliminate duplicates Z: 13 21.242 2.091 1.191 0.573 0.917 0.750 CA 1.361 18 residues pruned to eliminate duplicates Z: 18 5.759 1.522 0.151 0.530 0.882 0.706 CB 0.877 5 residues pruned to eliminate duplicates Z: 13 13.383 1.865 0.633 0.620 0.917 0.750 CB 1.235 13 residues pruned to eliminate duplicates Z: 20 6.415 1.759 0.272 0.344 0.789 0.474 CB 0.987 20 residues pruned to eliminate duplicates Z: 42 41.105 2.345 0.893 0.539 0.902 0.561 CB 1.542 42 residues pruned to eliminate duplicates Z: 11 7.213 1.698 0.278 0.499 0.900 0.600 CB 1.169 11 residues pruned to eliminate duplicates Z: 7 4.998 1.545 0.671 0.665 0.833 0.667 CB 0.814 6 1.985 1.632 0.293 0.313 0.600 0.400 CB 0.863 ? Z: 17 14.584 2.107 0.620 0.349 0.875 0.625 CB 1.439 17 residues pruned to eliminate duplicates Z: 55 42.906 2.302 0.815 0.468 0.889 0.556 CB 1.624 55 residues pruned to eliminate duplicates Z: 15 21.460 2.033 1.115 0.646 0.857 0.714 CB 1.358 15 residues pruned to eliminate duplicates Z: 25 11.885 1.764 0.578 0.425 0.875 0.542 CB 1.078 25 residues pruned to eliminate duplicates Z: 9 5.644 1.879 0.393 0.420 0.750 0.625 CB 1.105 9 residues pruned to eliminate duplicates Z: 25 22.163 2.037 0.954 0.424 0.917 0.625 CB 1.342 24 residues pruned to eliminate duplicates Z: 9 10.348 1.747 0.407 0.837 1.000 1.000 N 1.113 Z: 7 5.148 1.809 -0.340 0.710 1.000 0.667 N 1.454 Z: 7 5.429 1.709 0.357 0.398 0.833 0.667 C 1.278 7 residues pruned to eliminate duplicates Z: 25 20.578 2.100 0.723 0.577 0.792 0.583 CB 1.361 18 residues pruned to eliminate duplicates Z: 10 6.849 1.596 0.136 0.520 1.000 0.556 CB 1.233 10 residues pruned to eliminate duplicates Z: 22 21.104 1.939 0.620 0.597 0.857 0.571 CB 1.559 22 residues pruned to eliminate duplicates Z: 22 21.150 2.072 0.970 0.462 0.810 0.476 CB 1.452 22 residues pruned to eliminate duplicates Z: 8 6.806 1.660 0.376 0.539 0.857 0.571 CB 1.265 8 residues pruned to eliminate duplicates Z: 14 8.981 1.704 0.256 0.489 0.923 0.615 CB 1.275 14 residues pruned to eliminate duplicates Z: 20 18.183 1.899 0.523 0.633 0.842 0.789 CB 1.511 20 residues pruned to eliminate duplicates Z: 36 19.150 1.867 0.440 0.454 0.857 0.600 CB 1.473 36 residues pruned to eliminate duplicates Z: 55 47.756 2.305 0.730 0.475 0.963 0.593 CB 1.736 55 residues pruned to eliminate duplicates Z: 11 10.038 1.895 0.374 0.550 0.900 0.800 CB 1.291 11 residues pruned to eliminate duplicates Z: 11 5.714 1.815 -0.089 0.639 0.800 0.800 CB 1.199 7 residues pruned to eliminate duplicates Z: 14 6.149 1.609 0.350 0.398 0.846 0.615 CB 1.034 11 residues pruned to eliminate duplicates 6 1.501 1.453 0.133 0.296 0.600 0.600 N 0.853 ? Z: 23 20.707 2.083 0.785 0.593 0.955 0.773 CB 1.138 23 residues pruned to eliminate duplicates Z: 11 21.237 2.090 0.630 0.890 1.000 0.600 CA 1.418 11 residues pruned to eliminate duplicates Z: 78 38.254 2.261 0.692 0.453 0.870 0.519 CB 1.375 78 residues pruned to eliminate duplicates Z: 9 25.834 2.198 0.989 0.893 0.875 0.625 CB 1.714 9 residues pruned to eliminate duplicates Z: 20 13.663 1.977 0.441 0.513 0.842 0.579 CB 1.290 20 residues pruned to eliminate duplicates Z: 13 6.110 1.616 0.257 0.524 0.917 0.833 CB 0.925 13 residues pruned to eliminate duplicates Z: 10 16.482 1.937 0.767 0.851 0.889 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 20 16.171 1.988 0.442 0.438 0.947 0.579 CB 1.456 20 residues pruned to eliminate duplicates Z: 9 3.600 1.416 0.086 0.451 0.875 0.500 O 0.994 9 residues pruned to eliminate duplicates Z: 11 11.794 1.863 0.688 0.522 0.900 0.500 CB 1.290 11 residues pruned to eliminate duplicates Z: 23 21.570 2.110 0.821 0.537 0.955 0.682 CB 1.209 23 residues pruned to eliminate duplicates Z: 46 42.608 2.276 1.051 0.504 0.867 0.511 CB 1.564 46 residues pruned to eliminate duplicates Z: 7 9.953 2.098 0.790 0.595 0.833 0.667 CB 1.185 7 residues pruned to eliminate duplicates Z: 13 7.570 1.670 0.394 0.509 0.917 0.500 CB 1.015 13 residues pruned to eliminate duplicates Z: 11 28.550 2.105 0.968 0.821 1.000 0.800 CA 1.651 11 residues pruned to eliminate duplicates Z: 45 28.561 2.222 0.689 0.461 0.795 0.523 CB 1.501 45 residues pruned to eliminate duplicates Z: 19 11.281 1.694 0.484 0.444 0.889 0.611 CB 1.260 19 residues pruned to eliminate duplicates Z: 23 11.224 1.691 0.468 0.577 0.955 0.636 CB 0.937 23 residues pruned to eliminate duplicates Z: 14 16.793 2.264 0.458 0.422 0.923 0.615 CB 1.657 14 residues pruned to eliminate duplicates Z: 6 2.429 1.390 0.588 0.457 0.600 0.600 CA 0.857 Z: 6 9.853 1.838 0.865 0.841 1.000 1.000 CB 0.959 6 residues pruned to eliminate duplicates Z: 11 12.619 2.060 0.282 0.528 1.000 0.800 CA 1.471 11 residues pruned to eliminate duplicates Z: 21 24.132 2.209 0.596 0.525 0.950 0.700 CB 1.572 21 residues pruned to eliminate duplicates Z: 23 16.255 2.082 0.504 0.466 0.818 0.636 CB 1.400 23 residues pruned to eliminate duplicates Z: 44 35.862 2.185 0.906 0.502 0.907 0.558 CB 1.445 73 residues pruned to eliminate duplicates Z: 61 43.832 2.258 0.899 0.486 0.833 0.583 CB 1.607 61 residues pruned to eliminate duplicates Z: 6 3.061 1.448 0.190 0.389 0.800 0.400 CA 1.117 6 residues pruned to eliminate duplicates Z: 6 4.361 1.672 0.030 0.539 0.800 0.600 N 1.363 Z: 17 8.952 1.871 0.325 0.397 0.750 0.438 CB 1.342 17 residues pruned to eliminate duplicates Z: 54 48.710 2.292 1.020 0.526 0.925 0.660 CB 1.524 54 residues pruned to eliminate duplicates Z: 10 6.459 1.486 0.217 0.544 0.889 0.667 N 1.283 10 residues pruned to eliminate duplicates Z: 8 11.653 1.708 0.709 0.852 1.000 1.000 N 1.116 Z: 32 27.861 2.162 0.560 0.502 0.935 0.548 CA 1.583 32 residues pruned to eliminate duplicates Z: 8 2.620 1.406 0.248 0.367 0.714 0.429 CB 0.911 Z: 11 14.876 2.018 0.493 0.488 1.000 0.700 CB 1.580 11 residues pruned to eliminate duplicates Z: 6 2.756 1.282 0.545 0.411 0.800 0.800 CA 0.854 Z: 24 28.906 2.255 0.644 0.540 0.957 0.565 CA 1.635 24 residues pruned to eliminate duplicates Z: 14 14.150 1.968 0.618 0.547 0.923 0.615 CB 1.275 14 residues pruned to eliminate duplicates Z: 28 25.494 2.101 0.925 0.533 0.852 0.519 CB 1.378 28 residues pruned to eliminate duplicates Z: 7 2.597 1.662 1.070 0.713 0.833 0.833 CB 0.305 Z: 14 7.736 1.677 0.705 0.495 0.769 0.615 CB 0.980 10 residues pruned to eliminate duplicates Z: 20 16.168 2.276 0.527 0.411 0.737 0.368 CB 1.591 Z: 46 31.935 2.224 0.801 0.493 0.822 0.533 CB 1.455 66 residues pruned to eliminate duplicates Z: 12 16.184 1.902 0.631 0.667 0.909 0.636 CA 1.483 12 residues pruned to eliminate duplicates Z: 22 23.650 1.992 0.645 0.605 0.952 0.714 CB 1.496 22 residues pruned to eliminate duplicates Z: 13 13.591 1.769 0.838 0.638 0.917 0.750 CB 1.157 Z: 78 44.056 2.239 0.759 0.495 0.870 0.571 CB 1.472 78 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 20.652 2.072 0.613 0.538 0.913 0.522 CB 1.360 24 residues pruned to eliminate duplicates Z: 35 25.869 2.073 0.876 0.482 0.824 0.588 CB 1.411 35 residues pruned to eliminate duplicates Z: 39 27.652 2.031 0.737 0.532 0.895 0.526 CB 1.378 39 residues pruned to eliminate duplicates Z: 23 19.306 2.101 0.737 0.497 0.864 0.682 CB 1.310 23 residues pruned to eliminate duplicates Z: 23 20.206 2.087 0.764 0.528 0.909 0.591 CB 1.253 23 residues pruned to eliminate duplicates Z: 24 21.978 2.088 0.801 0.493 0.913 0.565 CB 1.344 24 residues pruned to eliminate duplicates Z: 28 17.556 1.910 0.799 0.442 0.926 0.519 CB 1.128 28 residues pruned to eliminate duplicates Z: 26 15.011 1.940 0.775 0.453 0.800 0.600 CB 1.144 26 residues pruned to eliminate duplicates Z: 29 18.210 2.005 0.710 0.436 0.857 0.571 CB 1.252 29 residues pruned to eliminate duplicates Z: 23 22.816 2.138 0.789 0.551 0.909 0.682 CB 1.331 23 residues pruned to eliminate duplicates Z: 47 23.589 1.933 0.633 0.463 0.870 0.587 CB 1.315 47 residues pruned to eliminate duplicates Z: 16 14.322 1.972 0.646 0.457 0.933 0.600 CB 1.275 16 residues pruned to eliminate duplicates Z: 23 20.164 2.043 0.749 0.522 0.864 0.636 CB 1.364 23 residues pruned to eliminate duplicates Z: 25 18.085 2.049 0.785 0.524 0.833 0.625 CB 1.184 25 residues pruned to eliminate duplicates Z: 29 17.832 1.999 0.756 0.468 0.857 0.500 CB 1.158 29 residues pruned to eliminate duplicates Z: 71 30.313 1.992 0.626 0.468 0.871 0.571 CB 1.325 71 residues pruned to eliminate duplicates Z: 24 23.839 2.067 0.896 0.513 0.913 0.783 CB 1.371 24 residues pruned to eliminate duplicates Z: 24 19.403 2.095 0.740 0.513 0.870 0.739 CB 1.259 24 residues pruned to eliminate duplicates Z: 24 20.041 2.104 0.855 0.489 0.870 0.739 CB 1.246 24 residues pruned to eliminate duplicates Z: 24 19.032 2.095 0.734 0.502 0.870 0.739 CB 1.254 24 residues pruned to eliminate duplicates Z: 12 13.170 2.058 0.371 0.609 0.909 0.727 CB 1.396 12 residues pruned to eliminate duplicates Z: 25 19.681 2.106 0.760 0.502 0.833 0.583 CB 1.299 25 residues pruned to eliminate duplicates Z: 24 20.796 2.048 0.647 0.536 0.913 0.739 CB 1.360 24 residues pruned to eliminate duplicates Z: 25 19.202 1.991 0.562 0.530 0.917 0.750 CB 1.335 25 residues pruned to eliminate duplicates Z: 11 15.915 1.955 0.652 0.652 1.000 0.800 CB 1.353 11 residues pruned to eliminate duplicates Z: 49 23.467 1.953 0.705 0.465 0.854 0.667 CB 1.234 49 residues pruned to eliminate duplicates Z: 24 16.931 1.851 0.538 0.537 0.957 0.739 CB 1.250 24 residues pruned to eliminate duplicates Z: 100 44.198 2.112 0.711 0.497 0.869 0.616 CB 1.419 100 residues pruned to eliminate duplicates Z: 11 14.592 1.907 0.740 0.750 0.800 0.800 CA 1.391 11 residues pruned to eliminate duplicates Z: 24 16.648 1.796 0.493 0.605 0.957 0.826 CB 1.225 24 residues pruned to eliminate duplicates Z: 43 24.161 1.895 0.678 0.551 0.952 0.762 CB 1.172 43 residues pruned to eliminate duplicates Z: 14 9.271 1.812 0.436 0.452 0.846 0.538 CB 1.227 14 residues pruned to eliminate duplicates Z: 12 10.876 1.882 0.525 0.531 0.909 0.727 CB 1.219 12 residues pruned to eliminate duplicates Z: 11 14.081 1.932 0.679 0.599 1.000 0.800 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 9.371 1.863 0.524 0.493 0.818 0.727 CB 1.225 12 residues pruned to eliminate duplicates Z: 12 13.078 1.891 0.598 0.573 0.909 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 12 11.156 1.862 0.519 0.569 0.909 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 12 12.831 1.810 0.590 0.527 0.909 0.636 CB 1.440 12 residues pruned to eliminate duplicates Z: 13 9.952 1.925 0.605 0.470 0.833 0.667 CB 1.149 13 residues pruned to eliminate duplicates Z: 12 10.196 1.831 0.466 0.558 1.000 0.636 CB 1.082 12 residues pruned to eliminate duplicates Z: 23 16.385 1.973 0.790 0.383 0.864 0.500 CB 1.297 23 residues pruned to eliminate duplicates Z: 24 15.775 2.126 0.644 0.415 0.783 0.522 CB 1.314 24 residues pruned to eliminate duplicates Z: 25 15.423 2.090 0.556 0.400 0.792 0.500 CB 1.359 25 residues pruned to eliminate duplicates Z: 11 12.808 2.344 0.568 0.435 0.800 0.400 CB 1.473 11 residues pruned to eliminate duplicates Z: 8 10.367 2.320 0.362 0.559 0.714 0.571 CA 1.638 8 residues pruned to eliminate duplicates Z: 58 39.294 2.343 0.801 0.478 0.860 0.561 CB 1.467 58 residues pruned to eliminate duplicates Z: 63 46.288 2.353 0.790 0.490 0.903 0.565 CB 1.562 63 residues pruned to eliminate duplicates Z: 12 9.406 2.338 0.343 0.331 0.727 0.364 CB 1.496 12 residues pruned to eliminate duplicates Z: 11 8.458 2.336 0.289 0.392 0.700 0.500 CB 1.423 11 residues pruned to eliminate duplicates Z: 10 14.322 2.403 0.525 0.358 0.889 0.444 CB 1.707 10 residues pruned to eliminate duplicates Z: 12 11.309 2.354 0.525 0.340 0.727 0.455 CB 1.555 12 residues pruned to eliminate duplicates Z: 12 12.715 2.179 0.533 0.411 0.909 0.636 CB 1.385 12 residues pruned to eliminate duplicates Z: 66 39.178 2.308 0.764 0.464 0.862 0.538 CB 1.437 66 residues pruned to eliminate duplicates Z: 70 43.784 2.271 0.788 0.487 0.899 0.580 CB 1.464 70 residues pruned to eliminate duplicates Z: 14 5.482 1.934 0.365 0.188 0.769 0.231 CB 1.089 14 residues pruned to eliminate duplicates Z: 57 46.090 2.339 0.905 0.514 0.893 0.607 CB 1.527 57 residues pruned to eliminate duplicates Z: 88 48.772 2.273 0.826 0.481 0.885 0.586 CB 1.452 88 residues pruned to eliminate duplicates Z: 70 41.336 2.251 0.790 0.454 0.884 0.580 CB 1.464 70 residues pruned to eliminate duplicates Z: 51 42.878 2.335 0.914 0.500 0.920 0.660 CB 1.475 51 residues pruned to eliminate duplicates Z: 63 39.981 2.266 0.855 0.481 0.855 0.565 CB 1.441 63 residues pruned to eliminate duplicates Z: 58 43.382 2.354 0.859 0.488 0.895 0.596 CB 1.485 58 residues pruned to eliminate duplicates Z: 61 39.877 2.317 0.904 0.451 0.850 0.583 CB 1.444 61 residues pruned to eliminate duplicates Z: 65 36.823 2.248 0.807 0.448 0.844 0.531 CB 1.417 65 residues pruned to eliminate duplicates Z: 59 46.368 2.369 0.881 0.521 0.879 0.672 CB 1.522 59 residues pruned to eliminate duplicates Z: 38 40.272 2.347 0.973 0.533 0.892 0.595 CB 1.552 38 residues pruned to eliminate duplicates Z: 42 43.827 2.329 0.918 0.537 0.927 0.634 CB 1.595 42 residues pruned to eliminate duplicates Z: 63 46.949 2.351 0.919 0.488 0.903 0.613 CB 1.480 63 residues pruned to eliminate duplicates Z: 52 46.023 2.313 1.028 0.487 0.902 0.608 CB 1.542 52 residues pruned to eliminate duplicates Z: 79 40.904 2.263 0.696 0.483 0.846 0.564 CB 1.451 79 residues pruned to eliminate duplicates Z: 58 48.998 2.368 0.847 0.528 0.930 0.684 CB 1.552 58 residues pruned to eliminate duplicates Z: 67 45.618 2.210 0.858 0.511 0.879 0.591 CB 1.540 73 residues pruned to eliminate duplicates Z: 6 5.179 1.640 0.683 0.487 0.800 0.800 CA 1.062 6 residues pruned to eliminate duplicates Z: 72 40.462 2.231 0.852 0.473 0.873 0.577 CB 1.369 72 residues pruned to eliminate duplicates Z: 71 42.042 2.282 0.842 0.495 0.843 0.629 CB 1.425 71 residues pruned to eliminate duplicates Z: 58 46.068 2.345 0.908 0.496 0.895 0.596 CB 1.531 58 residues pruned to eliminate duplicates Z: 58 46.396 2.350 0.965 0.482 0.895 0.614 CB 1.515 58 residues pruned to eliminate duplicates Z: 52 35.882 2.291 0.788 0.459 0.824 0.549 CB 1.552 52 residues pruned to eliminate duplicates Z: 26 40.195 2.263 1.015 0.629 0.920 0.720 CB 1.697 26 residues pruned to eliminate duplicates Z: 60 41.930 2.328 0.940 0.469 0.864 0.593 CB 1.444 60 residues pruned to eliminate duplicates Z: 52 50.940 2.368 1.118 0.524 0.882 0.627 CB 1.575 52 residues pruned to eliminate duplicates Z: 70 42.398 2.252 0.859 0.495 0.870 0.609 CB 1.410 70 residues pruned to eliminate duplicates Z: 39 40.136 2.377 0.898 0.527 0.868 0.658 CB 1.618 39 residues pruned to eliminate duplicates Z: 25 33.475 2.324 1.068 0.581 0.833 0.583 CB 1.578 25 residues pruned to eliminate duplicates Z: 25 36.066 2.345 1.187 0.618 0.875 0.625 CB 1.467 25 residues pruned to eliminate duplicates Z: 25 24.770 2.244 1.117 0.448 0.792 0.542 CB 1.418 25 residues pruned to eliminate duplicates Z: 19 25.632 2.237 0.998 0.508 0.889 0.444 CB 1.508 19 residues pruned to eliminate duplicates Z: 24 42.275 2.395 0.938 0.651 1.000 0.652 CB 1.651 24 residues pruned to eliminate duplicates Z: 61 41.853 2.318 0.830 0.501 0.883 0.517 CB 1.440 61 residues pruned to eliminate duplicates Z: 26 33.886 2.302 0.977 0.571 0.880 0.520 CB 1.580 26 residues pruned to eliminate duplicates Z: 50 38.716 2.333 0.863 0.536 0.857 0.653 CB 1.432 50 residues pruned to eliminate duplicates Z: 27 39.011 2.291 1.166 0.579 0.923 0.615 CB 1.548 27 residues pruned to eliminate duplicates Z: 26 37.215 2.344 0.983 0.567 0.960 0.600 CB 1.563 26 residues pruned to eliminate duplicates Z: 24 44.157 2.405 1.106 0.670 0.957 0.652 CB 1.625 24 residues pruned to eliminate duplicates Z: 26 45.965 2.361 1.251 0.630 0.920 0.640 CB 1.664 26 residues pruned to eliminate duplicates Z: 57 41.589 2.335 0.939 0.494 0.839 0.607 CB 1.472 57 residues pruned to eliminate duplicates Z: 52 43.163 2.371 0.939 0.500 0.882 0.667 CB 1.490 52 residues pruned to eliminate duplicates Z: 52 43.741 2.348 0.852 0.512 0.922 0.588 CB 1.509 52 residues pruned to eliminate duplicates Z: 66 41.578 2.315 0.734 0.464 0.892 0.585 CB 1.493 66 residues pruned to eliminate duplicates Z: 14 23.731 2.106 1.074 0.544 0.923 0.615 CB 1.564 14 residues pruned to eliminate duplicates Z: 86 41.616 2.196 0.770 0.480 0.871 0.588 CB 1.362 86 residues pruned to eliminate duplicates Z: 10 9.996 2.186 0.519 0.350 0.889 0.444 CB 1.328 10 residues pruned to eliminate duplicates Z: 22 19.365 2.206 0.684 0.457 0.810 0.667 CB 1.468 22 residues pruned to eliminate duplicates Z: 32 19.271 2.054 0.654 0.485 0.806 0.613 CB 1.283 32 residues pruned to eliminate duplicates Z: 20 18.318 2.208 0.550 0.476 0.895 0.526 CB 1.405 20 residues pruned to eliminate duplicates Z: 32 25.580 2.112 0.727 0.452 0.903 0.581 CB 1.465 32 residues pruned to eliminate duplicates Z: 23 17.542 2.090 0.552 0.432 0.909 0.545 CB 1.360 23 residues pruned to eliminate duplicates Z: 32 17.511 1.864 0.561 0.427 0.903 0.613 CB 1.290 32 residues pruned to eliminate duplicates Z: 62 30.865 2.207 0.551 0.456 0.852 0.574 CB 1.416 62 residues pruned to eliminate duplicates Z: 34 23.744 2.145 0.528 0.507 0.939 0.576 CB 1.333 34 residues pruned to eliminate duplicates Z: 68 51.160 2.281 0.889 0.554 0.910 0.672 CB 1.512 68 residues pruned to eliminate duplicates Z: 72 33.864 2.176 0.639 0.429 0.859 0.577 CB 1.411 72 residues pruned to eliminate duplicates Z: 23 16.896 2.101 0.475 0.450 0.864 0.500 CB 1.417 23 residues pruned to eliminate duplicates Z: 31 19.223 2.070 0.435 0.487 0.867 0.500 CB 1.380 31 residues pruned to eliminate duplicates Z: 35 27.357 2.172 0.830 0.428 0.882 0.588 CB 1.441 35 residues pruned to eliminate duplicates Z: 28 20.584 2.172 0.483 0.474 0.889 0.593 CB 1.421 28 residues pruned to eliminate duplicates Z: 34 22.347 2.135 0.492 0.462 0.939 0.606 CB 1.352 34 residues pruned to eliminate duplicates Z: 22 17.999 2.098 0.426 0.429 0.952 0.619 CB 1.484 22 residues pruned to eliminate duplicates Z: 28 20.119 2.100 0.694 0.442 0.852 0.556 CB 1.356 28 residues pruned to eliminate duplicates Z: 85 51.729 2.294 0.859 0.509 0.893 0.643 CB 1.468 85 residues pruned to eliminate duplicates Z: 6 6.122 1.443 1.285 0.458 1.000 0.800 CA 0.866 6 residues pruned to eliminate duplicates Z: 11 17.163 1.965 0.800 0.676 1.000 0.900 CB 1.305 11 residues pruned to eliminate duplicates Z: 8 9.550 1.885 0.649 0.626 0.857 0.857 CB 1.203 8 residues pruned to eliminate duplicates Z: 12 23.414 1.986 1.203 0.732 0.818 0.545 CB 1.600 12 residues pruned to eliminate duplicates Z: 11 21.569 2.030 0.935 0.805 0.800 0.300 CA 1.663 11 residues pruned to eliminate duplicates Z: 12 20.744 1.999 1.166 0.656 0.818 0.545 CA 1.528 12 residues pruned to eliminate duplicates Z: 13 17.623 1.823 0.999 0.655 0.917 0.250 CA 1.319 13 residues pruned to eliminate duplicates Z: 12 19.883 1.999 0.941 0.649 0.909 0.636 CA 1.479 12 residues pruned to eliminate duplicates Z: 11 28.660 2.115 1.130 0.721 0.900 0.600 CA 1.831 11 residues pruned to eliminate duplicates Z: 15 22.325 2.033 0.919 0.624 0.929 0.714 CB 1.466 15 residues pruned to eliminate duplicates Z: 11 28.812 2.168 0.997 0.725 1.000 0.800 CA 1.717 11 residues pruned to eliminate duplicates Z: 34 25.277 2.210 0.567 0.470 0.879 0.576 CB 1.491 40 residues pruned to eliminate duplicates Z: 6 5.978 2.003 0.777 0.218 0.800 0.400 CA 1.308 6 residues pruned to eliminate duplicates Z: 21 21.413 2.206 0.728 0.479 0.900 0.700 CB 1.425 21 residues pruned to eliminate duplicates Z: 21 19.960 2.144 0.708 0.486 0.900 0.650 CB 1.373 21 residues pruned to eliminate duplicates Z: 24 23.723 2.057 0.778 0.474 0.957 0.652 CB 1.452 24 residues pruned to eliminate duplicates Z: 30 24.610 2.115 0.782 0.504 0.931 0.690 CB 1.298 30 residues pruned to eliminate duplicates Z: 20 25.732 2.184 0.877 0.562 0.947 0.737 CB 1.431 20 residues pruned to eliminate duplicates Z: 20 20.391 2.140 0.748 0.536 0.947 0.632 CB 1.273 20 residues pruned to eliminate duplicates Z: 31 24.756 2.113 0.810 0.541 0.900 0.633 CB 1.262 31 residues pruned to eliminate duplicates Z: 20 25.544 2.232 0.997 0.554 0.947 0.789 CB 1.316 20 residues pruned to eliminate duplicates Z: 31 25.163 2.120 0.862 0.476 0.900 0.567 CB 1.324 31 residues pruned to eliminate duplicates Z: 33 26.994 2.146 0.772 0.461 0.938 0.625 CB 1.393 33 residues pruned to eliminate duplicates Z: 28 14.187 1.915 0.519 0.456 0.852 0.444 CB 1.153 28 residues pruned to eliminate duplicates Z: 34 24.391 2.086 0.707 0.468 0.909 0.576 CB 1.356 34 residues pruned to eliminate duplicates Z: 48 28.990 2.130 0.727 0.432 0.872 0.553 CB 1.414 48 residues pruned to eliminate duplicates Z: 24 12.464 1.832 0.725 0.310 0.870 0.435 CB 1.167 24 residues pruned to eliminate duplicates Z: 10 12.060 1.931 0.453 0.457 1.000 0.556 CA 1.496 10 residues pruned to eliminate duplicates Z: 31 22.437 2.169 0.610 0.457 0.933 0.633 CB 1.314 31 residues pruned to eliminate duplicates Z: 28 20.971 2.121 0.627 0.479 0.889 0.519 CB 1.345 28 residues pruned to eliminate duplicates Z: 29 12.349 1.869 0.541 0.436 0.821 0.464 CB 1.054 29 residues pruned to eliminate duplicates Z: 13 8.942 1.832 0.537 0.334 0.833 0.417 CB 1.320 13 residues pruned to eliminate duplicates Z: 17 12.070 1.933 0.720 0.359 0.812 0.312 CB 1.300 17 residues pruned to eliminate duplicates Z: 11 4.949 1.709 0.805 0.115 0.700 0.200 CB 1.177 11 residues pruned to eliminate duplicates Z: 9 8.424 1.936 0.927 0.305 0.875 0.250 CA 1.133 9 residues pruned to eliminate duplicates Z: 24 22.217 1.961 0.754 0.567 0.913 0.783 CB 1.383 24 residues pruned to eliminate duplicates Z: 23 20.672 1.945 0.673 0.551 0.909 0.636 CB 1.418 23 residues pruned to eliminate duplicates Z: 13 26.543 2.093 0.940 0.611 1.000 0.917 CB 1.698 13 residues pruned to eliminate duplicates Z: 23 24.556 1.978 0.773 0.582 0.955 0.682 CB 1.446 23 residues pruned to eliminate duplicates Z: 22 26.626 2.044 0.861 0.613 0.905 0.762 CB 1.516 22 residues pruned to eliminate duplicates Z: 22 26.069 2.029 0.801 0.594 0.952 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 15 17.147 2.022 0.719 0.542 0.786 0.500 CB 1.611 15 residues pruned to eliminate duplicates Z: 22 23.499 2.016 0.818 0.583 0.857 0.667 CB 1.507 22 residues pruned to eliminate duplicates Z: 22 19.546 1.981 0.644 0.562 0.905 0.667 CB 1.363 22 residues pruned to eliminate duplicates Z: 16 10.703 1.901 0.524 0.429 0.800 0.533 CB 1.284 16 residues pruned to eliminate duplicates Z: 22 26.355 2.003 0.824 0.593 0.905 0.762 CB 1.592 22 residues pruned to eliminate duplicates Z: 33 24.365 1.937 0.715 0.561 0.875 0.656 CB 1.396 33 residues pruned to eliminate duplicates Z: 23 21.650 1.976 0.762 0.577 0.864 0.636 CB 1.425 23 residues pruned to eliminate duplicates Z: 12 8.579 1.816 0.601 0.482 0.636 0.455 CB 1.424 12 residues pruned to eliminate duplicates Z: 18 12.326 1.798 0.778 0.440 0.765 0.588 CB 1.302 18 residues pruned to eliminate duplicates Z: 22 24.855 2.012 0.862 0.565 0.857 0.667 CB 1.586 22 residues pruned to eliminate duplicates Z: 8 8.097 1.652 0.512 0.569 0.857 0.571 CB 1.338 8 residues pruned to eliminate duplicates Z: 8 8.305 1.648 0.527 0.590 0.857 0.857 C 1.336 8 residues pruned to eliminate duplicates Z: 21 12.711 1.877 0.500 0.434 0.850 0.550 CB 1.271 23 residues pruned to eliminate duplicates Z: 6 4.451 1.579 0.635 0.473 1.000 1.000 CA 0.792 6 residues pruned to eliminate duplicates Z: 21 27.137 2.231 0.784 0.550 0.950 0.700 CB 1.529 21 residues pruned to eliminate duplicates Z: 23 21.878 2.127 0.661 0.440 0.955 0.455 CB 1.471 23 residues pruned to eliminate duplicates Z: 20 19.925 2.190 0.613 0.450 0.947 0.421 CB 1.438 20 residues pruned to eliminate duplicates Z: 22 22.520 2.180 0.571 0.470 0.952 0.571 CB 1.554 22 residues pruned to eliminate duplicates Z: 22 23.283 2.201 0.613 0.468 0.952 0.429 CB 1.553 22 residues pruned to eliminate duplicates Z: 21 14.429 2.024 0.512 0.427 0.800 0.550 CB 1.422 21 residues pruned to eliminate duplicates Z: 23 21.741 2.119 0.640 0.473 0.909 0.591 CB 1.507 23 residues pruned to eliminate duplicates Z: 40 20.540 1.988 0.582 0.345 0.897 0.513 CB 1.379 66 residues pruned to eliminate duplicates Z: 13 20.226 1.982 0.824 0.746 1.000 0.750 CB 1.297 14 residues pruned to eliminate duplicates Z: 13 16.846 1.916 0.813 0.680 1.000 0.750 CB 1.186 13 residues pruned to eliminate duplicates Z: 34 23.261 2.133 0.656 0.468 0.848 0.576 CB 1.396 34 residues pruned to eliminate duplicates Z: 21 24.202 2.088 1.127 0.564 0.850 0.600 CB 1.347 21 residues pruned to eliminate duplicates Z: 11 26.476 2.196 0.893 0.834 1.000 0.700 CB 1.510 11 residues pruned to eliminate duplicates Z: 13 19.533 2.073 1.076 0.666 0.833 0.583 CB 1.349 13 residues pruned to eliminate duplicates Z: 35 31.286 2.182 0.904 0.533 0.882 0.676 CB 1.417 35 residues pruned to eliminate duplicates Z: 13 21.066 2.105 0.947 0.680 0.917 0.667 CB 1.372 13 residues pruned to eliminate duplicates Z: 13 21.220 2.090 0.960 0.680 0.917 0.583 CB 1.383 13 residues pruned to eliminate duplicates Z: 17 19.080 2.028 0.929 0.653 0.875 0.688 CB 1.209 17 residues pruned to eliminate duplicates Z: 12 18.519 2.262 0.861 0.691 0.818 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 17 20.622 2.082 1.120 0.613 0.812 0.562 CB 1.291 17 residues pruned to eliminate duplicates Z: 17 20.261 2.036 0.982 0.646 0.875 0.750 CB 1.251 17 residues pruned to eliminate duplicates Z: 44 38.237 2.270 0.758 0.523 0.884 0.488 CB 1.616 44 residues pruned to eliminate duplicates Z: 8 9.314 1.846 1.145 0.560 0.857 0.714 CB 0.979 8 residues pruned to eliminate duplicates Z: 73 45.425 2.283 0.878 0.467 0.875 0.569 CB 1.475 73 residues pruned to eliminate duplicates Z: 55 41.354 2.201 0.981 0.496 0.889 0.611 CB 1.458 55 residues pruned to eliminate duplicates Z: 20 22.476 2.175 0.986 0.435 0.842 0.632 CB 1.516 20 residues pruned to eliminate duplicates Z: 20 23.179 2.173 1.022 0.445 0.947 0.526 CB 1.351 20 residues pruned to eliminate duplicates Z: 26 24.228 2.195 0.979 0.505 0.840 0.680 CB 1.321 26 residues pruned to eliminate duplicates Z: 43 29.209 2.161 0.808 0.520 0.881 0.524 CB 1.284 43 residues pruned to eliminate duplicates Z: 25 24.751 2.215 0.833 0.514 0.875 0.667 CB 1.403 25 residues pruned to eliminate duplicates Z: 50 32.730 2.146 0.769 0.450 0.898 0.633 CB 1.444 129 residues pruned to eliminate duplicates Z: 6 3.865 2.057 0.590 0.216 0.600 0.600 CB 1.230 6 residues pruned to eliminate duplicates Z: 19 25.217 2.240 1.069 0.443 0.833 0.667 CB 1.632 19 residues pruned to eliminate duplicates Z: 29 23.740 2.097 0.882 0.436 0.893 0.607 CB 1.361 29 residues pruned to eliminate duplicates Z: 19 23.620 2.214 0.971 0.392 0.889 0.833 CB 1.610 19 residues pruned to eliminate duplicates Z: 52 29.394 2.045 0.812 0.458 0.882 0.627 CB 1.314 52 residues pruned to eliminate duplicates Z: 14 11.206 2.042 0.485 0.518 0.846 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 28 19.782 2.108 0.789 0.395 0.852 0.593 CB 1.325 28 residues pruned to eliminate duplicates Z: 26 16.937 2.197 0.648 0.450 0.800 0.560 CB 1.231 26 residues pruned to eliminate duplicates Z: 42 22.082 2.007 0.530 0.486 0.854 0.512 CB 1.335 42 residues pruned to eliminate duplicates Z: 16 9.088 1.998 0.524 0.429 0.733 0.467 CB 1.131 16 residues pruned to eliminate duplicates Z: 38 33.798 2.187 0.890 0.530 0.892 0.622 CB 1.463 38 residues pruned to eliminate duplicates Z: 38 21.704 1.996 0.580 0.492 0.919 0.595 CB 1.241 38 residues pruned to eliminate duplicates Z: 49 35.334 2.106 0.764 0.531 0.958 0.667 CB 1.389 49 residues pruned to eliminate duplicates Z: 26 20.605 2.251 0.565 0.449 0.840 0.600 CB 1.468 26 residues pruned to eliminate duplicates Z: 27 19.971 2.199 0.735 0.426 0.808 0.500 CB 1.372 27 residues pruned to eliminate duplicates Z: 27 23.440 2.126 0.707 0.573 0.885 0.577 CB 1.335 27 residues pruned to eliminate duplicates Z: 49 33.254 2.076 0.750 0.501 0.958 0.667 CB 1.377 49 residues pruned to eliminate duplicates Z: 101 46.557 2.198 0.747 0.473 0.850 0.600 CB 1.466 92 residues pruned to eliminate duplicates Z: 6 8.066 1.935 0.948 0.392 0.800 0.600 CB 1.341 Z: 12 17.987 1.942 0.962 0.609 0.818 0.818 CA 1.569 18 residues pruned to eliminate duplicates Z: 15 16.908 1.935 0.753 0.588 0.929 0.714 CB 1.319 15 residues pruned to eliminate duplicates Z: 24 18.928 1.877 0.778 0.521 0.870 0.739 CB 1.332 24 residues pruned to eliminate duplicates Z: 41 29.673 2.132 0.941 0.494 0.850 0.650 CB 1.342 41 residues pruned to eliminate duplicates Z: 13 16.724 1.995 0.968 0.577 0.833 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 17 15.581 1.827 0.694 0.518 1.000 0.750 CB 1.237 17 residues pruned to eliminate duplicates Z: 25 20.907 1.871 0.732 0.600 0.958 0.667 CB 1.250 25 residues pruned to eliminate duplicates Z: 24 19.833 1.913 0.778 0.531 0.913 0.783 CB 1.292 24 residues pruned to eliminate duplicates Z: 41 28.652 2.037 0.798 0.514 0.925 0.600 CB 1.318 41 residues pruned to eliminate duplicates Z: 48 35.450 2.147 0.823 0.539 0.872 0.660 CB 1.457 48 residues pruned to eliminate duplicates Z: 49 37.674 2.098 0.873 0.548 0.917 0.667 CB 1.440 49 residues pruned to eliminate duplicates Z: 11 10.665 1.796 0.580 0.550 0.900 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 16 7.943 1.596 0.485 0.382 0.800 0.467 CA 1.226 16 residues pruned to eliminate duplicates Z: 12 12.781 1.813 0.557 0.560 1.000 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 25 24.849 1.900 0.820 0.583 0.958 0.792 CB 1.413 25 residues pruned to eliminate duplicates Z: 12 8.222 1.676 0.446 0.515 0.909 0.727 CA 1.108 12 residues pruned to eliminate duplicates Z: 39 24.971 2.012 0.622 0.509 0.895 0.658 CB 1.375 39 residues pruned to eliminate duplicates Z: 25 22.800 1.851 0.844 0.586 0.958 0.833 CB 1.311 25 residues pruned to eliminate duplicates Z: 32 18.516 1.929 0.450 0.545 0.871 0.742 CB 1.306 32 residues pruned to eliminate duplicates Z: 112 50.467 2.165 0.789 0.479 0.856 0.550 CB 1.477 125 residues pruned to eliminate duplicates Z: 70 32.074 2.050 0.732 0.453 0.870 0.580 CB 1.312 70 residues pruned to eliminate duplicates Z: 8 10.355 1.940 0.776 0.536 0.857 0.429 CA 1.279 7 residues pruned to eliminate duplicates Z: 7 7.526 1.630 0.912 0.488 0.833 0.333 CB 1.198 7 residues pruned to eliminate duplicates Z: 10 9.821 2.248 0.715 0.315 0.778 0.444 CB 1.340 Z: 23 12.745 2.260 0.329 0.360 0.818 0.636 CB 1.286 33 residues pruned to eliminate duplicates Z: 50 29.996 2.251 0.700 0.458 0.837 0.592 CB 1.398 50 residues pruned to eliminate duplicates Z: 20 9.807 2.189 0.431 0.326 0.737 0.421 CB 1.180 21 residues pruned to eliminate duplicates Z: 6 5.529 1.778 0.964 0.132 1.000 0.400 CB 1.120 6 residues pruned to eliminate duplicates Z: 19 17.069 2.172 0.450 0.426 0.944 0.556 CB 1.460 19 residues pruned to eliminate duplicates Z: 24 16.556 2.242 0.571 0.412 0.870 0.652 CB 1.235 24 residues pruned to eliminate duplicates Z: 74 46.218 2.349 0.824 0.473 0.863 0.521 CB 1.504 74 residues pruned to eliminate duplicates Z: 63 40.075 2.336 0.794 0.466 0.855 0.516 CB 1.471 63 residues pruned to eliminate duplicates Z: 76 44.417 2.308 0.672 0.461 0.907 0.507 CB 1.525 76 residues pruned to eliminate duplicates Z: 85 39.951 2.130 0.788 0.437 0.845 0.536 CB 1.445 85 residues pruned to eliminate duplicates Z: 13 6.020 1.944 0.192 0.331 0.750 0.500 CB 1.203 13 residues pruned to eliminate duplicates Z: 87 47.602 2.232 0.828 0.458 0.860 0.547 CB 1.526 87 residues pruned to eliminate duplicates Z: 23 13.200 2.088 0.356 0.308 0.818 0.318 CB 1.503 23 residues pruned to eliminate duplicates Z: 72 40.791 2.329 0.701 0.475 0.817 0.549 CB 1.535 72 residues pruned to eliminate duplicates Z: 35 18.238 2.159 0.568 0.373 0.765 0.382 CB 1.384 35 residues pruned to eliminate duplicates Z: 17 25.479 2.347 0.635 0.511 0.938 0.438 CA 1.751 17 residues pruned to eliminate duplicates Z: 18 18.127 2.263 0.651 0.487 0.706 0.412 CB 1.689 18 residues pruned to eliminate duplicates Z: 35 23.324 2.298 0.553 0.373 0.853 0.500 CB 1.505 35 residues pruned to eliminate duplicates Z: 46 31.718 2.328 0.745 0.453 0.822 0.622 CB 1.486 46 residues pruned to eliminate duplicates Z: 9 7.808 2.258 0.233 0.443 0.625 0.125 CB 1.683 9 residues pruned to eliminate duplicates Z: 46 31.914 2.213 0.678 0.444 0.889 0.556 CB 1.528 46 residues pruned to eliminate duplicates Z: 79 45.377 2.300 0.745 0.472 0.872 0.500 CB 1.510 79 residues pruned to eliminate duplicates Z: 23 13.703 2.165 0.560 0.358 0.682 0.364 CB 1.479 23 residues pruned to eliminate duplicates Z: 74 42.589 2.329 0.784 0.481 0.822 0.479 CB 1.487 74 residues pruned to eliminate duplicates Z: 86 48.255 2.316 0.825 0.494 0.847 0.553 CB 1.471 86 residues pruned to eliminate duplicates Z: 6 3.758 1.711 0.496 0.379 0.800 0.800 CB 0.933 6 residues pruned to eliminate duplicates Z: 31 36.461 2.330 0.845 0.602 0.900 0.633 CB 1.561 31 residues pruned to eliminate duplicates Z: 57 42.911 2.361 0.881 0.522 0.804 0.518 CB 1.572 57 residues pruned to eliminate duplicates Z: 52 47.555 2.377 0.914 0.548 0.882 0.569 CB 1.583 52 residues pruned to eliminate duplicates Z: 59 42.517 2.348 0.926 0.487 0.810 0.638 CB 1.544 59 residues pruned to eliminate duplicates Z: 61 45.630 2.352 0.909 0.480 0.833 0.550 CB 1.607 61 residues pruned to eliminate duplicates Z: 69 48.325 2.361 0.842 0.490 0.868 0.559 CB 1.569 69 residues pruned to eliminate duplicates Z: 76 46.558 2.258 0.828 0.471 0.880 0.493 CB 1.524 76 residues pruned to eliminate duplicates Z: 43 39.099 2.340 0.864 0.503 0.881 0.500 CB 1.566 43 residues pruned to eliminate duplicates Z: 86 46.969 2.283 0.823 0.497 0.847 0.576 CB 1.449 86 residues pruned to eliminate duplicates Z: 86 50.095 2.291 0.890 0.515 0.859 0.612 CB 1.440 86 residues pruned to eliminate duplicates Z: 102 51.731 2.265 0.728 0.484 0.851 0.545 CB 1.569 102 residues pruned to eliminate duplicates Z: 136 65.190 2.298 0.765 0.478 0.896 0.548 CB 1.577 135 residues pruned to eliminate duplicates Z: 6 6.480 1.823 1.080 0.414 0.800 0.600 CA 1.045 Z: 6 2.429 1.530 0.542 0.249 0.600 0.400 O 1.024 4 residues pruned to eliminate duplicates Z: 6 8.619 2.102 0.842 0.290 1.000 0.200 CA 1.260 6 residues pruned to eliminate duplicates Z: 6 7.741 1.863 0.636 0.420 1.000 0.600 CA 1.235 Z: 9 9.143 2.101 0.536 0.399 0.875 0.500 CA 1.274 Z: 8 9.153 2.095 0.615 0.503 0.714 0.429 CA 1.427 9 residues pruned to eliminate duplicates Z: 6 8.559 2.128 0.866 0.629 0.600 0.400 CA 1.422 6 residues pruned to eliminate duplicates Z: 77 47.033 2.328 0.790 0.465 0.842 0.579 CB 1.593 99 residues pruned to eliminate duplicates Z: 56 47.282 2.326 0.841 0.572 0.855 0.527 CB 1.625 56 residues pruned to eliminate duplicates Z: 52 40.753 2.182 0.957 0.496 0.882 0.510 CB 1.521 52 residues pruned to eliminate duplicates Z: 47 31.081 2.171 0.817 0.448 0.804 0.587 CB 1.523 6 1.809 1.457 0.291 0.328 0.600 0.200 CA 0.866 ? Z: 7 5.050 1.658 0.715 0.350 0.833 0.833 N 1.023 7 residues pruned to eliminate duplicates Z: 21 26.961 2.166 0.658 0.600 0.950 0.650 CB 1.607 21 residues pruned to eliminate duplicates Z: 41 34.429 2.234 0.661 0.503 0.925 0.575 CB 1.581 41 residues pruned to eliminate duplicates Z: 6 5.090 1.689 0.659 0.416 1.000 0.400 CA 0.887 6 residues pruned to eliminate duplicates Z: 56 35.092 2.140 0.668 0.468 0.909 0.473 CB 1.506 41 residues pruned to eliminate duplicates Z: 6 3.102 1.664 0.137 0.243 0.800 0.400 CB 1.234 6 residues pruned to eliminate duplicates Z: 39 32.854 2.288 0.670 0.487 0.895 0.526 CB 1.580 39 residues pruned to eliminate duplicates Z: 77 57.218 2.332 0.746 0.516 0.947 0.592 CB 1.674 62 residues pruned to eliminate duplicates Z: 7 5.340 1.708 0.735 0.384 0.667 0.667 CB 1.249 7 residues pruned to eliminate duplicates Z: 70 50.756 2.349 0.824 0.477 0.913 0.565 CB 1.598 70 residues pruned to eliminate duplicates Z: 76 55.237 2.337 0.780 0.518 0.933 0.560 CB 1.614 77 residues pruned to eliminate duplicates Z: 7 7.901 1.897 0.379 0.485 1.000 0.333 CA 1.251 7 residues pruned to eliminate duplicates Z: 40 37.038 2.272 0.749 0.522 0.897 0.564 CB 1.627 40 residues pruned to eliminate duplicates Z: 43 32.491 2.181 0.708 0.486 0.881 0.524 CB 1.550 43 residues pruned to eliminate duplicates Z: 23 18.356 2.142 0.669 0.386 0.864 0.409 CA 1.430 23 residues pruned to eliminate duplicates Z: 41 38.624 2.250 0.856 0.538 0.875 0.600 CB 1.610 41 residues pruned to eliminate duplicates Z: 40 34.488 2.264 0.608 0.486 0.949 0.564 CB 1.622 40 residues pruned to eliminate duplicates Z: 20 19.555 2.228 0.784 0.451 0.789 0.421 CA 1.504 20 residues pruned to eliminate duplicates Z: 39 37.368 2.298 0.655 0.490 0.947 0.500 CB 1.700 39 residues pruned to eliminate duplicates Z: 38 37.891 2.372 0.672 0.496 0.919 0.541 CB 1.717 38 residues pruned to eliminate duplicates Z: 35 26.729 2.232 0.656 0.465 0.824 0.559 CB 1.561 35 residues pruned to eliminate duplicates Z: 20 18.670 2.112 0.537 0.433 0.947 0.474 CB 1.493 20 residues pruned to eliminate duplicates Z: 67 48.776 2.278 0.882 0.470 0.939 0.500 CB 1.537 57 residues pruned to eliminate duplicates Z: 8 5.674 1.525 0.406 0.452 0.857 0.143 CB 1.225 8 residues pruned to eliminate duplicates Z: 76 55.344 2.291 0.789 0.530 0.933 0.613 CB 1.622 76 residues pruned to eliminate duplicates Z: 6 2.401 1.647 0.216 0.298 0.800 0.200 CB 0.840 6 residues pruned to eliminate duplicates Z: 36 30.887 2.239 0.624 0.453 0.914 0.571 CB 1.649 36 residues pruned to eliminate duplicates Z: 52 37.571 2.237 0.680 0.468 0.902 0.569 CB 1.603 52 residues pruned to eliminate duplicates Z: 92 49.779 2.219 0.717 0.432 0.901 0.549 CB 1.632 92 residues pruned to eliminate duplicates Z: 60 49.021 2.299 0.731 0.524 0.966 0.627 CB 1.622 60 residues pruned to eliminate duplicates Z: 58 47.113 2.306 0.757 0.501 0.930 0.579 CB 1.654 58 residues pruned to eliminate duplicates Z: 56 50.040 2.354 0.833 0.494 0.927 0.564 CB 1.697 56 residues pruned to eliminate duplicates Z: 98 56.036 2.291 0.767 0.472 0.887 0.526 CB 1.631 184 residues pruned to eliminate duplicates Z: 63 43.092 2.205 0.702 0.529 0.919 0.661 CB 1.542 Z: 6 7.171 1.938 0.542 0.310 1.000 0.200 CA 1.326 Z: 6 2.524 1.746 0.467 0.145 0.800 0.600 CA 0.854 6 residues pruned to eliminate duplicates Z: 24 21.048 2.068 0.629 0.403 0.957 0.609 CB 1.508 20 residues pruned to eliminate duplicates Z: 11 8.198 1.538 1.114 0.313 0.800 0.300 CA 1.226 11 residues pruned to eliminate duplicates Z: 17 12.910 2.062 0.558 0.340 0.812 0.438 CA 1.471 17 residues pruned to eliminate duplicates Z: 77 51.748 2.280 0.701 0.503 0.934 0.605 CB 1.633 67 residues pruned to eliminate duplicates Z: 6 2.782 1.532 0.388 0.356 0.600 0.400 C 1.139 6 residues pruned to eliminate duplicates Z: 69 36.342 2.209 0.632 0.394 0.853 0.544 CB 1.603 69 residues pruned to eliminate duplicates Z: 75 56.611 2.340 0.835 0.498 0.919 0.608 CB 1.671 83 residues pruned to eliminate duplicates Z: 6 6.659 1.688 0.950 0.362 1.000 0.200 CA 1.050 6 residues pruned to eliminate duplicates Z: 18 32.078 2.375 1.036 0.507 0.941 0.471 CB 1.697 18 residues pruned to eliminate duplicates Z: 54 47.455 2.343 0.738 0.485 0.981 0.585 CB 1.656 54 residues pruned to eliminate duplicates Z: 6 4.608 1.871 0.644 0.262 0.600 0.600 CA 1.465 6 residues pruned to eliminate duplicates Z: 84 50.696 2.316 0.783 0.466 0.843 0.518 CB 1.655 96 residues pruned to eliminate duplicates Z: 6 5.968 1.553 1.029 0.408 0.800 0.600 C 1.166 6 residues pruned to eliminate duplicates Z: 28 27.796 2.164 0.949 0.489 0.852 0.556 CB 1.505 Z: 7 10.891 1.960 1.048 0.359 0.833 0.333 CA 1.548 7 residues pruned to eliminate duplicates Z: 22 23.438 2.218 0.901 0.425 0.857 0.524 CB 1.530 22 residues pruned to eliminate duplicates Z: 73 54.536 2.341 0.842 0.495 0.917 0.639 CB 1.634 101 residues pruned to eliminate duplicates Z: 71 42.755 2.266 0.772 0.427 0.900 0.500 CB 1.526 71 residues pruned to eliminate duplicates Z: 13 11.556 1.819 1.110 0.354 0.833 0.250 CB 1.222 Z: 6 7.006 1.544 1.157 0.315 1.000 0.600 CB 1.155 5 residues pruned to eliminate duplicates Z: 6 8.278 2.145 0.836 0.315 0.800 0.200 CA 1.441 6 residues pruned to eliminate duplicates Z: 21 36.656 2.276 1.103 0.560 1.000 0.750 CB 1.616 9 residues pruned to eliminate duplicates Z: 6 6.715 1.825 0.326 0.464 1.000 0.800 N 1.287 6 residues pruned to eliminate duplicates Z: 29 24.715 2.214 1.099 0.425 0.786 0.464 CB 1.383 29 residues pruned to eliminate duplicates Z: 28 22.792 2.129 0.770 0.469 0.852 0.519 CB 1.411 28 residues pruned to eliminate duplicates Z: 6 7.437 1.579 0.906 0.481 1.000 0.800 CA 1.126 6 residues pruned to eliminate duplicates Z: 10 11.640 1.949 0.939 0.426 0.889 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 76 46.403 2.226 0.741 0.465 0.880 0.587 CB 1.629 102 residues pruned to eliminate duplicates 410 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 172 D: 48 E: 76 F: 101 CC for partial structure against native data = 34.56 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.452, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.519, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.613, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.619, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.628, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.632, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.637, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.639, Connect. = 0.779 for dens.mod. cycle 8 = 0.300, Contrast = 0.642, Connect. = 0.780 for dens.mod. cycle 9 = 0.300, Contrast = 0.643, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3217 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 668 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 75 39.986 2.245 0.748 0.471 0.851 0.541 CB 1.433 B: 25 33.540 2.341 1.009 0.534 0.833 0.625 CB 1.690 C: 25 38.210 2.362 1.032 0.631 0.958 0.667 CB 1.500 25 residues pruned to eliminate duplicates D: 24 44.779 2.426 1.132 0.631 0.913 0.609 CB 1.748 25 residues pruned to eliminate duplicates E: 26 36.147 2.330 0.940 0.579 0.920 0.520 CB 1.611 25 residues pruned to eliminate duplicates F: 69 45.322 2.217 0.810 0.555 0.897 0.632 CB 1.446 57 residues pruned to eliminate duplicates G: 32 33.223 2.289 0.942 0.548 0.839 0.613 CB 1.526 32 residues pruned to eliminate duplicates H: 13 17.188 1.952 1.044 0.479 0.917 0.833 CB 1.386 I: 58 43.157 2.327 0.872 0.518 0.895 0.632 CB 1.441 23 residues pruned to eliminate duplicates J: 17 16.276 2.007 0.738 0.461 0.875 0.688 CB 1.387 13 residues pruned to eliminate duplicates K: 10 12.044 1.969 0.327 0.513 1.000 0.556 CA 1.517 L: 16 13.405 1.912 0.637 0.387 0.867 0.267 CB 1.438 10 residues pruned to eliminate duplicates M: 18 20.177 2.182 0.928 0.402 0.882 0.647 CB 1.461 N: 55 48.609 2.378 0.626 0.478 0.981 0.593 CA 1.783 O: 62 41.678 2.341 0.743 0.452 0.902 0.590 CB 1.524 64 residues pruned to eliminate duplicates P: 26 40.228 2.355 1.110 0.557 0.920 0.600 CB 1.665 26 residues pruned to eliminate duplicates Q: 78 56.143 2.307 0.680 0.512 0.948 0.571 CA 1.721 55 residues pruned to eliminate duplicates R: 13 18.499 2.100 0.824 0.545 0.833 0.583 CA 1.602 12 residues pruned to eliminate duplicates S: 17 19.201 1.985 0.872 0.487 0.938 0.500 CB 1.396 17 residues pruned to eliminate duplicates T: 9 11.896 2.253 0.717 0.411 0.750 0.375 CA 1.590 9 residues pruned to eliminate duplicates U: 40 38.128 2.361 0.658 0.479 0.949 0.538 CB 1.679 40 residues pruned to eliminate duplicates V: 22 11.767 2.127 0.338 0.349 0.857 0.571 CB 1.240 22 residues pruned to eliminate duplicates W: 14 16.351 2.198 0.644 0.478 0.923 0.769 CB 1.390 14 residues pruned to eliminate duplicates X: 59 44.461 2.255 0.742 0.469 0.931 0.534 CB 1.648 59 residues pruned to eliminate duplicates Y: 73 58.843 2.337 0.837 0.508 0.931 0.611 CB 1.722 74 residues pruned to eliminate duplicates Z: 19 41.734 2.470 1.002 0.573 1.000 0.722 CA 1.853 19 residues pruned to eliminate duplicates Z: 21 15.498 1.980 1.007 0.471 0.700 0.650 CB 1.283 Z: 18 16.791 1.968 0.803 0.434 0.941 0.471 CB 1.306 18 residues pruned to eliminate duplicates Z: 21 23.047 2.031 0.813 0.508 0.950 0.600 CA 1.461 16 residues pruned to eliminate duplicates Z: 39 34.089 2.337 0.801 0.509 0.868 0.605 CB 1.499 39 residues pruned to eliminate duplicates Z: 31 34.706 2.329 0.929 0.538 0.867 0.600 CB 1.568 31 residues pruned to eliminate duplicates Z: 25 39.176 2.397 0.935 0.660 0.917 0.667 CB 1.622 25 residues pruned to eliminate duplicates Z: 85 48.820 2.247 0.642 0.466 0.917 0.607 CB 1.631 85 residues pruned to eliminate duplicates Z: 78 62.570 2.342 0.784 0.515 0.961 0.662 CB 1.749 77 residues pruned to eliminate duplicates Z: 10 13.707 2.188 0.480 0.768 0.667 0.667 CA 1.669 Z: 11 23.151 2.240 0.662 0.849 1.000 0.700 CB 1.457 Z: 10 22.679 2.160 0.562 0.864 1.000 0.889 CA 1.643 10 residues pruned to eliminate duplicates Z: 38 31.660 2.183 0.871 0.572 0.919 0.676 CB 1.293 20 residues pruned to eliminate duplicates Z: 56 34.230 2.188 0.664 0.480 0.909 0.509 CB 1.424 56 residues pruned to eliminate duplicates Z: 40 48.535 2.400 0.941 0.578 0.923 0.615 CB 1.677 41 residues pruned to eliminate duplicates Z: 34 36.018 2.345 0.625 0.485 0.939 0.545 CB 1.779 34 residues pruned to eliminate duplicates Z: 53 33.717 2.245 0.730 0.466 0.865 0.615 CB 1.440 53 residues pruned to eliminate duplicates Z: 7 7.103 2.075 0.269 0.473 0.833 0.333 CB 1.357 7 residues pruned to eliminate duplicates Z: 51 41.130 2.355 0.732 0.441 0.900 0.560 CB 1.683 51 residues pruned to eliminate duplicates Z: 19 27.643 2.305 0.928 0.582 1.000 0.833 CB 1.356 Z: 10 15.676 2.107 0.945 0.800 0.667 0.444 CA 1.472 10 residues pruned to eliminate duplicates Z: 41 41.175 2.281 1.042 0.510 0.875 0.550 CB 1.581 41 residues pruned to eliminate duplicates Z: 9 8.478 1.752 0.494 0.491 0.875 0.625 CB 1.321 Z: 68 47.354 2.304 0.844 0.493 0.940 0.552 CB 1.459 72 residues pruned to eliminate duplicates Z: 44 47.692 2.391 0.993 0.555 0.907 0.674 CB 1.596 44 residues pruned to eliminate duplicates Z: 43 35.582 2.255 0.677 0.473 0.881 0.571 CA 1.695 43 residues pruned to eliminate duplicates Z: 12 20.963 2.055 1.401 0.518 0.909 0.636 CB 1.385 Z: 91 61.349 2.308 0.852 0.489 0.922 0.589 CB 1.658 88 residues pruned to eliminate duplicates Z: 86 37.877 2.192 0.673 0.472 0.859 0.576 CB 1.342 86 residues pruned to eliminate duplicates Z: 12 13.057 2.205 0.706 0.413 0.727 0.545 CB 1.577 12 residues pruned to eliminate duplicates Z: 84 48.472 2.213 0.717 0.458 0.892 0.530 CB 1.639 84 residues pruned to eliminate duplicates Z: 66 42.732 2.271 0.807 0.475 0.892 0.585 CB 1.484 60 residues pruned to eliminate duplicates Z: 11 15.061 1.896 0.678 0.539 1.000 0.800 N 1.441 11 residues pruned to eliminate duplicates Z: 20 23.966 2.157 0.872 0.560 0.895 0.684 CB 1.436 20 residues pruned to eliminate duplicates Z: 26 32.154 2.311 0.859 0.586 0.880 0.640 CB 1.567 26 residues pruned to eliminate duplicates Z: 78 58.017 2.318 0.738 0.506 0.961 0.623 CB 1.698 77 residues pruned to eliminate duplicates Z: 18 11.323 1.851 0.929 0.298 0.765 0.353 CB 1.261 18 residues pruned to eliminate duplicates Z: 12 14.956 2.033 0.426 0.799 0.909 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 8 10.306 2.175 0.626 0.487 0.714 0.571 CB 1.561 8 residues pruned to eliminate duplicates Z: 11 13.285 2.084 0.529 0.402 0.900 0.600 CB 1.624 11 residues pruned to eliminate duplicates Z: 34 40.667 2.315 0.979 0.548 0.879 0.636 CB 1.678 34 residues pruned to eliminate duplicates Z: 12 11.105 2.125 0.737 0.290 0.727 0.545 CB 1.580 12 residues pruned to eliminate duplicates Z: 55 42.209 2.285 0.708 0.458 0.889 0.537 CA 1.728 55 residues pruned to eliminate duplicates Z: 14 14.370 2.010 0.740 0.515 0.846 0.615 CB 1.327 Z: 13 9.776 1.991 0.335 0.368 0.833 0.583 CB 1.468 Z: 10 17.158 2.162 0.900 0.799 0.667 0.556 CA 1.608 10 residues pruned to eliminate duplicates Z: 15 9.444 2.043 0.486 0.300 0.714 0.286 CB 1.454 15 residues pruned to eliminate duplicates Z: 23 21.945 2.007 0.663 0.577 0.818 0.727 CB 1.591 9 residues pruned to eliminate duplicates Z: 44 42.294 2.311 0.910 0.551 0.860 0.581 CB 1.616 44 residues pruned to eliminate duplicates Z: 26 14.396 2.017 0.673 0.309 0.800 0.360 CB 1.319 26 residues pruned to eliminate duplicates Z: 9 10.579 1.999 0.936 0.495 0.750 0.750 CA 1.294 9 residues pruned to eliminate duplicates Z: 17 13.195 2.197 0.560 0.374 0.875 0.562 CB 1.259 17 residues pruned to eliminate duplicates Z: 16 15.822 2.094 0.646 0.499 0.867 0.533 CB 1.369 15 residues pruned to eliminate duplicates Z: 19 26.820 2.235 0.857 0.609 1.000 0.778 CB 1.372 19 residues pruned to eliminate duplicates Z: 29 29.507 2.183 0.677 0.533 0.929 0.643 CB 1.588 29 residues pruned to eliminate duplicates Z: 12 12.153 2.034 1.158 0.435 0.909 0.545 CB 0.983 12 residues pruned to eliminate duplicates Z: 78 55.449 2.319 0.792 0.478 0.909 0.532 CB 1.709 78 residues pruned to eliminate duplicates Z: 11 11.599 2.098 0.577 0.560 0.900 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 12 17.682 2.094 1.296 0.487 0.818 0.545 CB 1.373 12 residues pruned to eliminate duplicates Z: 26 41.213 2.314 1.071 0.596 0.960 0.640 CB 1.634 26 residues pruned to eliminate duplicates Z: 56 39.656 2.204 0.799 0.500 0.873 0.545 CB 1.546 56 residues pruned to eliminate duplicates Z: 57 39.716 2.238 0.696 0.494 0.875 0.571 CB 1.608 58 residues pruned to eliminate duplicates Z: 25 26.548 2.223 0.814 0.542 0.875 0.625 CB 1.473 25 residues pruned to eliminate duplicates Z: 11 17.134 1.912 0.824 0.797 0.900 0.600 CA 1.331 11 residues pruned to eliminate duplicates Z: 40 30.644 2.280 0.595 0.466 0.923 0.590 CB 1.514 40 residues pruned to eliminate duplicates Z: 10 6.148 1.845 0.479 0.431 0.667 0.444 CB 1.210 9 residues pruned to eliminate duplicates Z: 24 24.127 1.956 0.791 0.585 0.913 0.739 CB 1.451 12 residues pruned to eliminate duplicates Z: 15 10.990 2.240 0.208 0.262 0.857 0.500 CA 1.662 15 residues pruned to eliminate duplicates Z: 15 15.467 1.933 0.659 0.508 0.857 0.643 CB 1.492 14 residues pruned to eliminate duplicates Z: 73 38.616 2.247 0.661 0.438 0.889 0.542 CB 1.462 73 residues pruned to eliminate duplicates Z: 17 14.514 1.890 0.661 0.502 0.812 0.625 CB 1.420 17 residues pruned to eliminate duplicates Z: 21 17.610 2.166 0.411 0.436 0.850 0.650 CB 1.621 21 residues pruned to eliminate duplicates Z: 73 38.726 2.283 0.596 0.473 0.889 0.514 CB 1.449 73 residues pruned to eliminate duplicates Z: 22 17.484 2.098 0.657 0.487 0.905 0.619 CB 1.229 22 residues pruned to eliminate duplicates Z: 12 19.557 2.009 1.027 0.715 0.818 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 16 15.657 2.131 0.400 0.362 0.933 0.667 CB 1.683 16 residues pruned to eliminate duplicates Z: 42 45.852 2.363 0.925 0.559 0.829 0.659 CB 1.793 75 residues pruned to eliminate duplicates Z: 21 34.534 2.244 0.886 0.671 0.950 0.800 CB 1.640 20 residues pruned to eliminate duplicates Z: 41 23.478 1.931 0.517 0.547 0.950 0.675 CB 1.275 5 residues pruned to eliminate duplicates Z: 17 16.775 1.882 0.522 0.535 0.875 0.812 CB 1.617 17 residues pruned to eliminate duplicates Z: 22 19.290 2.280 0.617 0.404 0.905 0.619 CB 1.397 24 residues pruned to eliminate duplicates Z: 63 37.958 2.266 0.769 0.470 0.871 0.565 CB 1.424 63 residues pruned to eliminate duplicates Z: 8 15.697 2.108 0.847 0.657 1.000 0.714 CA 1.317 8 residues pruned to eliminate duplicates Z: 8 6.885 1.764 0.105 0.536 0.857 0.571 O 1.503 8 residues pruned to eliminate duplicates Z: 61 43.982 2.269 0.650 0.476 0.917 0.550 CB 1.696 61 residues pruned to eliminate duplicates Z: 19 29.220 2.215 1.149 0.560 1.000 0.889 CB 1.365 19 residues pruned to eliminate duplicates Z: 19 28.077 2.281 0.990 0.583 1.000 0.778 CB 1.347 19 residues pruned to eliminate duplicates Z: 21 25.301 2.090 0.739 0.577 0.850 0.800 CB 1.701 22 residues pruned to eliminate duplicates Z: 51 49.790 2.353 0.894 0.564 0.920 0.680 CB 1.614 51 residues pruned to eliminate duplicates Z: 14 20.277 1.763 1.161 0.656 0.923 0.692 CB 1.383 Z: 12 18.670 1.987 1.067 0.354 1.000 0.727 CB 1.604 12 residues pruned to eliminate duplicates Z: 14 14.353 1.937 0.806 0.587 0.846 0.615 CB 1.237 14 residues pruned to eliminate duplicates Z: 13 10.888 1.756 0.375 0.512 1.000 0.583 CB 1.287 11 residues pruned to eliminate duplicates Z: 78 61.099 2.343 0.807 0.499 0.961 0.545 CB 1.713 78 residues pruned to eliminate duplicates Z: 7 4.824 1.829 -0.054 0.664 0.833 0.667 CB 1.174 Z: 81 46.468 2.227 0.776 0.509 0.925 0.538 CB 1.408 81 residues pruned to eliminate duplicates Z: 23 23.426 2.037 0.663 0.564 0.864 0.727 CB 1.604 23 residues pruned to eliminate duplicates Z: 8 19.920 2.124 1.017 0.858 0.857 0.571 CA 1.509 8 residues pruned to eliminate duplicates Z: 41 33.596 2.270 0.417 0.481 0.975 0.500 CA 1.727 41 residues pruned to eliminate duplicates Z: 26 25.165 2.181 0.740 0.518 0.960 0.760 CB 1.357 29 residues pruned to eliminate duplicates Z: 54 40.534 2.234 0.827 0.496 0.906 0.604 CB 1.512 54 residues pruned to eliminate duplicates Z: 6 6.646 1.988 0.811 0.465 0.600 0.600 CA 1.425 6 residues pruned to eliminate duplicates Z: 12 17.302 1.878 0.838 0.583 1.000 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 25 40.229 2.342 1.152 0.628 0.917 0.708 CB 1.577 25 residues pruned to eliminate duplicates Z: 12 16.415 1.907 1.089 0.718 0.818 0.727 CB 1.247 Z: 25 27.343 2.249 0.786 0.561 0.875 0.667 CB 1.496 25 residues pruned to eliminate duplicates Z: 44 39.667 2.361 0.883 0.526 0.814 0.581 CB 1.628 44 residues pruned to eliminate duplicates Z: 72 39.805 2.184 0.852 0.454 0.873 0.592 CB 1.401 74 residues pruned to eliminate duplicates Z: 55 37.199 2.210 0.690 0.498 0.889 0.574 CB 1.529 55 residues pruned to eliminate duplicates Z: 22 24.978 2.017 0.538 0.617 0.952 0.714 CB 1.652 22 residues pruned to eliminate duplicates Z: 53 42.117 2.305 0.671 0.450 0.962 0.596 CB 1.659 53 residues pruned to eliminate duplicates Z: 24 15.946 1.787 0.494 0.548 0.913 0.696 CB 1.303 24 residues pruned to eliminate duplicates Z: 11 18.402 1.988 0.893 0.735 0.800 0.200 CA 1.565 11 residues pruned to eliminate duplicates Z: 12 20.806 2.080 0.863 0.812 1.000 0.727 CB 1.234 12 residues pruned to eliminate duplicates Z: 35 17.130 1.914 0.616 0.472 0.824 0.559 CB 1.187 35 residues pruned to eliminate duplicates Z: 23 26.297 2.068 0.708 0.584 0.864 0.682 CB 1.696 22 residues pruned to eliminate duplicates Z: 15 13.797 2.227 0.661 0.406 0.786 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 10 17.764 1.916 0.655 0.713 1.000 0.889 CB 1.539 10 residues pruned to eliminate duplicates Z: 57 42.128 2.235 0.890 0.536 0.893 0.571 CB 1.441 57 residues pruned to eliminate duplicates Z: 23 13.640 2.084 0.577 0.390 0.818 0.545 CB 1.215 21 residues pruned to eliminate duplicates Z: 7 11.110 2.088 0.361 0.459 1.000 0.333 C 1.664 7 residues pruned to eliminate duplicates Z: 20 13.692 2.026 0.466 0.503 0.842 0.474 CB 1.252 Z: 33 29.831 2.175 0.720 0.510 0.906 0.688 CB 1.540 33 residues pruned to eliminate duplicates Z: 41 32.694 2.309 0.770 0.487 0.875 0.575 CB 1.464 41 residues pruned to eliminate duplicates Z: 34 26.200 2.293 0.350 0.417 0.939 0.515 CB 1.710 34 residues pruned to eliminate duplicates Z: 65 46.204 2.313 0.873 0.476 0.891 0.562 CB 1.534 65 residues pruned to eliminate duplicates Z: 14 12.430 1.672 0.821 0.472 0.846 0.692 C 1.377 14 residues pruned to eliminate duplicates Z: 62 40.837 2.233 0.575 0.492 0.902 0.639 CB 1.663 62 residues pruned to eliminate duplicates Z: 47 44.851 2.313 0.950 0.550 0.913 0.609 CB 1.529 47 residues pruned to eliminate duplicates Z: 22 29.937 2.138 1.145 0.578 0.857 0.667 CB 1.542 22 residues pruned to eliminate duplicates Z: 26 20.075 1.945 0.566 0.518 0.920 0.720 CB 1.408 26 residues pruned to eliminate duplicates Z: 78 53.102 2.296 0.717 0.456 0.935 0.455 CB 1.717 78 residues pruned to eliminate duplicates Z: 61 42.510 2.244 0.823 0.540 0.850 0.550 CB 1.518 61 residues pruned to eliminate duplicates Z: 58 41.765 2.298 0.833 0.518 0.842 0.561 CB 1.533 58 residues pruned to eliminate duplicates Z: 80 38.670 2.182 0.709 0.480 0.835 0.557 CB 1.425 100 residues pruned to eliminate duplicates Z: 7 5.343 1.652 0.020 0.718 1.000 0.500 CA 1.063 Z: 11 18.010 1.889 0.710 0.706 1.000 0.700 CB 1.463 11 residues pruned to eliminate duplicates Z: 13 6.077 1.904 0.291 0.277 0.750 0.500 CB 1.224 13 residues pruned to eliminate duplicates Z: 8 10.303 1.825 0.638 0.574 0.857 0.429 CA 1.415 8 residues pruned to eliminate duplicates Z: 7 15.791 2.311 0.771 0.643 0.833 0.667 CA 1.654 7 residues pruned to eliminate duplicates Z: 7 10.583 1.912 0.246 0.628 1.000 0.500 O 1.607 Z: 8 4.515 1.566 0.420 0.467 0.857 0.286 CA 0.926 8 residues pruned to eliminate duplicates Z: 11 13.608 2.004 0.233 0.852 0.900 0.600 CA 1.432 10 residues pruned to eliminate duplicates Z: 28 24.067 2.081 0.932 0.523 0.926 0.593 CB 1.217 28 residues pruned to eliminate duplicates Z: 12 15.336 2.029 0.484 0.832 0.909 0.727 CB 1.269 12 residues pruned to eliminate duplicates Z: 24 23.742 1.989 0.746 0.549 0.957 0.696 CB 1.422 24 residues pruned to eliminate duplicates Z: 7 7.970 1.488 1.008 0.614 0.833 0.667 C 1.173 Z: 23 25.876 2.058 0.651 0.594 0.909 0.773 CB 1.632 22 residues pruned to eliminate duplicates Z: 10 8.652 1.738 0.518 0.447 0.778 0.667 CA 1.483 10 residues pruned to eliminate duplicates Z: 39 35.692 2.152 0.767 0.571 0.868 0.658 CB 1.638 39 residues pruned to eliminate duplicates Z: 11 21.456 2.223 0.609 0.866 1.000 0.500 CB 1.389 11 residues pruned to eliminate duplicates Z: 46 40.136 2.300 0.882 0.510 0.911 0.578 CB 1.502 46 residues pruned to eliminate duplicates Z: 10 14.198 1.923 0.506 0.668 1.000 0.778 CB 1.398 10 residues pruned to eliminate duplicates Z: 18 17.960 2.021 0.673 0.472 0.941 0.588 CB 1.409 18 residues pruned to eliminate duplicates Z: 26 18.199 2.116 0.656 0.486 0.840 0.480 CB 1.254 26 residues pruned to eliminate duplicates Z: 11 19.526 2.218 0.559 0.821 1.000 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 6 5.593 1.742 0.632 0.689 1.000 0.600 CA 0.740 6 residues pruned to eliminate duplicates Z: 11 13.349 2.123 0.538 0.428 0.900 0.600 CB 1.549 11 residues pruned to eliminate duplicates Z: 13 30.214 2.379 0.981 0.733 0.833 0.667 CB 1.802 13 residues pruned to eliminate duplicates Z: 6 7.543 1.686 0.173 0.787 1.000 0.600 CA 1.325 7 residues pruned to eliminate duplicates Z: 14 7.454 1.914 0.139 0.486 0.769 0.462 CB 1.250 14 residues pruned to eliminate duplicates Z: 11 8.204 1.876 0.755 0.484 0.700 0.500 CB 1.144 11 residues pruned to eliminate duplicates Z: 40 31.916 2.107 0.840 0.536 0.872 0.590 CB 1.460 43 residues pruned to eliminate duplicates Z: 28 23.915 2.093 0.641 0.528 0.852 0.630 CB 1.530 28 residues pruned to eliminate duplicates Z: 8 7.905 1.934 0.326 0.539 1.000 0.714 CB 1.122 5 residues pruned to eliminate duplicates Z: 11 17.895 2.173 0.533 0.840 0.900 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 8 6.675 1.815 0.062 0.572 1.000 0.571 CB 1.221 7 residues pruned to eliminate duplicates Z: 24 16.011 2.232 0.630 0.366 0.870 0.609 CB 1.218 24 residues pruned to eliminate duplicates Z: 9 8.616 1.822 0.096 0.747 0.875 0.750 CB 1.399 Z: 29 23.302 2.123 0.867 0.528 0.821 0.643 CB 1.315 29 residues pruned to eliminate duplicates Z: 24 21.953 2.269 0.414 0.504 0.870 0.565 CB 1.634 24 residues pruned to eliminate duplicates Z: 50 48.999 2.383 0.780 0.494 0.939 0.633 CB 1.769 50 residues pruned to eliminate duplicates Z: 15 9.028 1.877 0.636 0.422 0.786 0.500 CB 1.085 15 residues pruned to eliminate duplicates Z: 11 18.905 2.237 0.390 0.824 1.000 0.700 CB 1.452 11 residues pruned to eliminate duplicates Z: 37 31.811 2.266 0.535 0.474 0.944 0.583 CB 1.656 37 residues pruned to eliminate duplicates Z: 19 25.512 2.244 0.846 0.602 1.000 0.722 CB 1.317 19 residues pruned to eliminate duplicates Z: 12 16.643 2.043 0.607 0.775 0.909 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 23 13.156 1.891 0.513 0.504 0.818 0.591 CB 1.194 23 residues pruned to eliminate duplicates Z: 31 10.628 1.894 0.219 0.356 0.833 0.533 CB 1.178 6 residues pruned to eliminate duplicates Z: 6 12.457 2.315 0.459 0.650 1.000 0.800 CB 1.434 6 residues pruned to eliminate duplicates Z: 24 32.604 2.037 0.907 0.616 1.000 0.870 CB 1.568 25 residues pruned to eliminate duplicates Z: 9 15.516 1.815 1.033 0.631 0.875 0.625 CA 1.502 9 residues pruned to eliminate duplicates Z: 30 32.778 2.231 0.594 0.526 0.931 0.586 CA 1.793 30 residues pruned to eliminate duplicates Z: 10 3.450 1.454 0.223 0.498 0.667 0.222 N 0.972 Z: 23 24.001 2.033 0.490 0.626 0.955 0.818 CB 1.572 23 residues pruned to eliminate duplicates Z: 58 31.300 2.174 0.654 0.486 0.772 0.509 CB 1.515 89 residues pruned to eliminate duplicates Z: 8 11.198 1.983 0.366 0.588 1.000 0.571 CB 1.437 8 residues pruned to eliminate duplicates Z: 8 15.897 2.033 0.487 0.699 1.000 0.857 CA 1.657 8 residues pruned to eliminate duplicates Z: 26 14.561 1.824 0.494 0.519 0.920 0.640 CB 1.141 26 residues pruned to eliminate duplicates Z: 23 21.719 2.130 0.764 0.488 0.909 0.682 CB 1.371 23 residues pruned to eliminate duplicates Z: 11 21.281 2.090 0.733 0.809 0.900 0.500 CA 1.578 11 residues pruned to eliminate duplicates Z: 14 8.835 2.047 0.410 0.381 0.769 0.308 CB 1.252 14 residues pruned to eliminate duplicates Z: 12 12.133 1.935 0.332 0.588 1.000 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 10 13.031 2.329 0.624 0.413 0.889 0.778 CB 1.414 10 residues pruned to eliminate duplicates Z: 25 22.299 2.058 0.834 0.509 0.875 0.625 CB 1.366 25 residues pruned to eliminate duplicates Z: 80 38.505 2.154 0.721 0.450 0.835 0.557 CB 1.472 80 residues pruned to eliminate duplicates Z: 22 25.107 2.060 0.621 0.587 0.905 0.714 CB 1.669 22 residues pruned to eliminate duplicates Z: 17 15.866 2.173 0.337 0.495 0.875 0.688 CB 1.568 17 residues pruned to eliminate duplicates Z: 44 24.413 1.972 0.750 0.481 0.907 0.651 CB 1.212 44 residues pruned to eliminate duplicates Z: 22 19.803 2.276 0.536 0.502 0.762 0.524 CB 1.619 22 residues pruned to eliminate duplicates Z: 12 13.162 2.071 0.488 0.531 0.818 0.273 CA 1.528 12 residues pruned to eliminate duplicates Z: 20 25.787 2.265 1.049 0.468 0.895 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 81 43.856 2.237 0.828 0.499 0.887 0.562 CB 1.352 81 residues pruned to eliminate duplicates Z: 9 9.009 2.227 0.501 0.371 0.875 0.375 CB 1.251 9 residues pruned to eliminate duplicates Z: 10 27.469 2.345 0.775 0.874 1.000 1.000 CA 1.601 10 residues pruned to eliminate duplicates Z: 27 12.908 1.907 0.266 0.434 0.808 0.462 CB 1.390 Z: 11 7.187 2.082 0.298 0.378 0.900 0.500 CB 1.065 11 residues pruned to eliminate duplicates Z: 29 21.910 2.104 0.749 0.482 0.821 0.571 CB 1.395 29 residues pruned to eliminate duplicates Z: 49 38.511 2.302 0.780 0.497 0.917 0.542 CB 1.485 51 residues pruned to eliminate duplicates Z: 78 53.911 2.301 0.785 0.489 0.922 0.584 CB 1.641 78 residues pruned to eliminate duplicates Z: 18 11.254 1.842 0.573 0.364 0.882 0.529 CB 1.236 17 residues pruned to eliminate duplicates Z: 13 11.100 1.791 0.581 0.578 0.750 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 12 10.638 1.826 0.493 0.432 1.000 0.545 CB 1.263 12 residues pruned to eliminate duplicates Z: 24 16.566 2.117 0.708 0.448 0.783 0.435 CB 1.287 24 residues pruned to eliminate duplicates Z: 19 16.101 1.669 0.885 0.470 0.889 0.667 C 1.399 14 residues pruned to eliminate duplicates Z: 15 19.079 2.219 0.569 0.620 0.929 0.500 CB 1.408 15 residues pruned to eliminate duplicates Z: 6 5.756 1.839 0.000 0.755 1.000 0.800 CB 1.116 6 residues pruned to eliminate duplicates Z: 73 43.996 2.275 0.739 0.490 0.903 0.611 CB 1.466 100 residues pruned to eliminate duplicates Z: 8 4.908 1.382 0.380 0.469 0.857 0.714 CA 1.171 8 residues pruned to eliminate duplicates Z: 20 30.410 2.264 0.879 0.552 1.000 0.632 CB 1.558 20 residues pruned to eliminate duplicates Z: 73 52.064 2.280 0.820 0.455 0.972 0.583 CB 1.593 73 residues pruned to eliminate duplicates Z: 15 14.975 1.776 0.707 0.557 0.929 0.786 CB 1.346 15 residues pruned to eliminate duplicates Z: 20 23.729 2.005 0.643 0.611 0.895 0.737 CB 1.662 20 residues pruned to eliminate duplicates Z: 9 7.037 1.942 0.504 0.785 1.000 0.875 N 0.663 Z: 25 23.570 1.967 0.754 0.554 0.875 0.667 CB 1.511 25 residues pruned to eliminate duplicates Z: 42 30.490 2.089 0.691 0.553 0.927 0.659 CB 1.381 42 residues pruned to eliminate duplicates Z: 52 38.875 2.260 0.713 0.509 0.922 0.510 CB 1.513 52 residues pruned to eliminate duplicates Z: 27 15.343 1.985 0.727 0.483 0.808 0.462 CB 1.105 27 residues pruned to eliminate duplicates Z: 64 46.442 2.222 0.893 0.537 0.905 0.667 CB 1.483 64 residues pruned to eliminate duplicates Z: 63 40.699 2.287 0.809 0.493 0.855 0.613 CB 1.472 63 residues pruned to eliminate duplicates Z: 36 19.590 2.008 0.748 0.472 0.800 0.571 CB 1.213 36 residues pruned to eliminate duplicates Z: 61 39.729 2.194 0.861 0.500 0.900 0.667 CB 1.395 61 residues pruned to eliminate duplicates Z: 19 19.985 2.174 0.965 0.463 0.944 0.667 CB 1.212 19 residues pruned to eliminate duplicates Z: 23 33.086 2.326 1.093 0.528 0.864 0.591 CB 1.631 23 residues pruned to eliminate duplicates Z: 11 11.404 1.655 1.183 0.574 0.800 0.600 CB 1.162 10 residues pruned to eliminate duplicates Z: 62 46.912 2.377 0.603 0.464 0.967 0.574 CB 1.692 62 residues pruned to eliminate duplicates Z: 8 5.079 1.637 0.430 0.490 0.857 0.714 CA 0.966 8 residues pruned to eliminate duplicates Z: 50 42.209 2.335 0.883 0.531 0.898 0.653 CB 1.482 50 residues pruned to eliminate duplicates Z: 24 18.257 1.957 0.657 0.459 0.870 0.565 CB 1.407 24 residues pruned to eliminate duplicates Z: 12 16.615 1.877 0.753 0.774 0.818 0.727 CB 1.460 12 residues pruned to eliminate duplicates Z: 12 14.032 1.876 1.022 0.675 0.909 0.818 CB 1.044 12 residues pruned to eliminate duplicates Z: 57 41.548 2.262 0.681 0.470 0.911 0.607 CB 1.654 57 residues pruned to eliminate duplicates Z: 24 27.268 2.012 0.746 0.575 0.957 0.696 CB 1.574 24 residues pruned to eliminate duplicates Z: 38 38.611 2.291 0.905 0.512 0.892 0.595 CB 1.611 38 residues pruned to eliminate duplicates Z: 76 33.906 2.193 0.681 0.456 0.827 0.600 CB 1.344 76 residues pruned to eliminate duplicates Z: 13 5.175 1.766 0.815 0.233 0.583 0.417 CB 1.091 13 residues pruned to eliminate duplicates Z: 35 25.946 2.069 1.031 0.422 0.853 0.559 CB 1.347 35 residues pruned to eliminate duplicates Z: 12 16.557 1.927 0.695 0.673 0.909 0.727 CB 1.433 12 residues pruned to eliminate duplicates Z: 12 16.722 1.896 0.917 0.699 0.909 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 73 43.529 2.264 0.806 0.476 0.889 0.542 CB 1.446 73 residues pruned to eliminate duplicates Z: 14 13.887 2.187 0.444 0.405 0.923 0.385 CB 1.460 14 residues pruned to eliminate duplicates Z: 36 19.532 2.077 0.275 0.448 0.857 0.600 CB 1.534 36 residues pruned to eliminate duplicates Z: 24 17.213 1.918 0.721 0.485 0.913 0.696 CB 1.209 24 residues pruned to eliminate duplicates Z: 6 5.589 1.782 -0.242 0.819 1.000 1.000 CB 1.402 6 residues pruned to eliminate duplicates Z: 28 13.925 1.803 0.809 0.454 0.815 0.593 CB 1.057 25 residues pruned to eliminate duplicates Z: 75 35.752 2.242 0.741 0.444 0.797 0.568 CB 1.414 75 residues pruned to eliminate duplicates Z: 12 18.918 1.838 0.758 0.644 1.000 0.818 CB 1.543 13 residues pruned to eliminate duplicates Z: 20 13.752 2.049 0.504 0.371 0.947 0.474 CB 1.240 20 residues pruned to eliminate duplicates Z: 12 8.623 1.596 0.728 0.506 0.818 0.636 C 1.145 12 residues pruned to eliminate duplicates Z: 60 42.473 2.239 0.948 0.491 0.864 0.559 CB 1.480 60 residues pruned to eliminate duplicates Z: 11 5.171 1.606 0.313 0.403 0.900 0.500 N 0.954 11 residues pruned to eliminate duplicates Z: 11 16.804 2.008 0.574 0.653 1.000 0.900 CB 1.458 11 residues pruned to eliminate duplicates Z: 13 12.313 2.034 0.753 0.511 0.750 0.583 CB 1.314 13 residues pruned to eliminate duplicates Z: 25 45.463 2.412 1.044 0.642 0.958 0.625 CB 1.719 25 residues pruned to eliminate duplicates Z: 6 5.053 1.652 0.688 0.402 0.800 0.600 CB 1.123 6 residues pruned to eliminate duplicates Z: 36 35.358 2.073 0.637 0.638 0.971 0.714 CB 1.594 35 residues pruned to eliminate duplicates Z: 50 42.726 2.303 0.898 0.525 0.918 0.694 CB 1.484 50 residues pruned to eliminate duplicates Z: 6 8.758 1.988 -0.161 0.824 1.000 1.000 C 1.775 Z: 21 10.785 1.823 0.596 0.442 0.800 0.550 CB 1.101 21 residues pruned to eliminate duplicates Z: 17 14.029 1.852 0.945 0.577 0.688 0.438 CA 1.316 17 residues pruned to eliminate duplicates Z: 23 24.920 2.049 0.670 0.585 0.864 0.773 CB 1.657 23 residues pruned to eliminate duplicates Z: 55 39.623 2.304 0.666 0.543 0.889 0.537 CB 1.515 55 residues pruned to eliminate duplicates Z: 8 6.140 1.963 -0.020 0.457 1.000 0.429 CB 1.260 7 residues pruned to eliminate duplicates Z: 8 6.141 1.701 0.974 0.763 0.857 0.857 N 0.638 Z: 18 10.182 1.671 0.389 0.490 0.765 0.529 CB 1.405 18 residues pruned to eliminate duplicates Z: 22 23.956 2.021 0.555 0.612 0.952 0.762 CB 1.570 22 residues pruned to eliminate duplicates Z: 14 22.576 2.129 0.775 0.550 1.000 0.769 CB 1.578 14 residues pruned to eliminate duplicates Z: 38 27.181 2.153 0.786 0.503 0.865 0.622 CB 1.340 38 residues pruned to eliminate duplicates Z: 16 13.147 1.934 0.583 0.449 0.867 0.667 CB 1.349 16 residues pruned to eliminate duplicates Z: 43 37.110 2.261 0.718 0.504 0.881 0.524 CA 1.668 43 residues pruned to eliminate duplicates Z: 13 8.941 1.790 0.229 0.575 1.000 0.750 CB 1.092 13 residues pruned to eliminate duplicates Z: 13 10.063 1.980 0.605 0.387 0.833 0.417 CA 1.237 13 residues pruned to eliminate duplicates Z: 10 14.128 1.961 0.523 0.791 1.000 0.889 CB 1.221 10 residues pruned to eliminate duplicates Z: 11 22.143 2.232 0.487 0.875 1.000 0.900 CB 1.534 11 residues pruned to eliminate duplicates Z: 12 17.168 2.038 0.431 0.910 1.000 0.909 CB 1.259 12 residues pruned to eliminate duplicates Z: 9 4.939 1.526 0.447 0.380 0.875 0.625 CB 1.027 9 residues pruned to eliminate duplicates Z: 24 16.562 2.047 0.604 0.480 0.826 0.391 CB 1.300 Z: 29 23.570 2.084 0.851 0.506 0.857 0.571 CB 1.339 29 residues pruned to eliminate duplicates Z: 6 3.522 1.535 0.466 0.424 0.600 0.400 CA 1.263 6 residues pruned to eliminate duplicates Z: 12 9.269 1.696 0.541 0.635 0.727 0.727 CB 1.296 Z: 27 28.896 2.177 0.699 0.552 0.885 0.731 CB 1.646 28 residues pruned to eliminate duplicates Z: 20 13.686 1.777 0.706 0.476 0.842 0.526 CB 1.260 31 residues pruned to eliminate duplicates Z: 28 21.350 2.080 0.767 0.497 0.852 0.667 CB 1.316 28 residues pruned to eliminate duplicates Z: 18 16.292 1.944 0.809 0.570 0.824 0.529 CB 1.275 18 residues pruned to eliminate duplicates Z: 22 16.816 1.813 0.520 0.548 0.905 0.619 CB 1.405 22 residues pruned to eliminate duplicates Z: 10 11.326 1.913 0.426 0.663 1.000 0.889 CB 1.190 10 residues pruned to eliminate duplicates Z: 13 16.087 1.837 1.187 0.719 0.917 0.750 CB 1.034 13 residues pruned to eliminate duplicates Z: 6 4.020 2.018 0.267 0.252 0.600 0.200 CA 1.558 6 residues pruned to eliminate duplicates Z: 17 19.278 2.059 0.585 0.498 0.938 0.562 CB 1.579 17 residues pruned to eliminate duplicates Z: 12 5.386 1.510 0.369 0.328 0.818 0.545 CB 1.160 9 residues pruned to eliminate duplicates Z: 6 6.012 1.507 0.882 0.571 0.800 0.600 C 1.106 6 residues pruned to eliminate duplicates Z: 10 4.283 1.538 0.030 0.442 0.889 0.333 CB 1.076 10 residues pruned to eliminate duplicates Z: 48 36.552 2.333 0.716 0.523 0.851 0.638 CB 1.530 48 residues pruned to eliminate duplicates Z: 17 10.729 2.077 0.319 0.251 0.875 0.438 CB 1.489 17 residues pruned to eliminate duplicates Z: 11 5.677 1.672 0.354 0.433 0.800 0.500 CB 1.063 Z: 12 12.107 1.828 0.707 0.505 0.909 0.455 CB 1.281 12 residues pruned to eliminate duplicates Z: 14 12.064 1.931 1.252 0.463 0.769 0.692 CB 1.039 14 residues pruned to eliminate duplicates Z: 13 4.440 1.567 0.085 0.355 0.833 0.417 CB 1.057 Z: 6 3.174 1.634 0.000 0.618 0.800 0.800 CB 0.971 Z: 19 11.421 1.836 0.573 0.396 0.722 0.500 CB 1.439 19 residues pruned to eliminate duplicates Z: 21 22.373 2.211 0.734 0.582 0.950 0.800 CB 1.269 21 residues pruned to eliminate duplicates Z: 17 15.691 2.201 0.411 0.315 1.000 0.438 CB 1.551 17 residues pruned to eliminate duplicates Z: 14 17.213 2.186 0.756 0.514 0.769 0.615 CA 1.595 14 residues pruned to eliminate duplicates Z: 9 6.789 1.875 0.338 0.587 0.750 0.750 N 1.174 Z: 8 12.386 1.977 1.111 0.609 0.857 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 21 23.344 2.076 0.660 0.570 0.850 0.750 CB 1.665 21 residues pruned to eliminate duplicates Z: 12 14.224 2.027 0.578 0.780 0.909 0.545 CB 1.152 12 residues pruned to eliminate duplicates Z: 16 23.984 2.167 0.999 0.553 0.933 0.600 CA 1.455 16 residues pruned to eliminate duplicates Z: 11 5.311 1.656 0.375 0.571 0.800 0.400 CB 0.861 Z: 19 7.304 1.568 0.851 0.218 0.833 0.444 CB 0.991 19 residues pruned to eliminate duplicates Z: 11 16.728 1.908 0.687 0.704 0.900 0.700 CB 1.517 11 residues pruned to eliminate duplicates Z: 8 8.415 1.849 0.356 0.582 0.857 0.571 CB 1.367 8 residues pruned to eliminate duplicates Z: 48 34.603 2.330 0.724 0.511 0.830 0.574 CB 1.498 48 residues pruned to eliminate duplicates Z: 9 3.378 1.262 0.268 0.492 0.750 0.500 N 1.003 Z: 7 5.397 1.614 0.052 0.671 1.000 0.833 CB 1.108 Z: 54 41.735 2.257 0.681 0.493 0.925 0.585 CB 1.645 54 residues pruned to eliminate duplicates Z: 13 14.083 1.986 0.430 0.618 0.917 0.667 CB 1.397 13 residues pruned to eliminate duplicates Z: 55 49.306 2.382 0.643 0.499 0.981 0.611 CB 1.748 55 residues pruned to eliminate duplicates Z: 12 21.141 1.990 0.844 0.710 0.909 0.727 C 1.580 12 residues pruned to eliminate duplicates Z: 16 17.217 2.046 0.551 0.538 0.933 0.533 CB 1.446 16 residues pruned to eliminate duplicates Z: 32 24.846 2.132 0.672 0.540 0.903 0.677 CB 1.332 32 residues pruned to eliminate duplicates Z: 9 5.917 1.781 -0.218 0.654 0.875 0.500 CB 1.487 6 residues pruned to eliminate duplicates Z: 11 8.164 1.970 0.392 0.422 0.700 0.500 CB 1.459 11 residues pruned to eliminate duplicates Z: 21 28.103 2.084 0.712 0.628 0.900 0.750 CB 1.735 21 residues pruned to eliminate duplicates Z: 7 5.506 1.296 0.512 0.581 1.000 0.333 O 1.061 7 residues pruned to eliminate duplicates Z: 6 5.026 1.416 0.032 0.741 1.000 0.600 C 1.240 6 residues pruned to eliminate duplicates Z: 10 8.468 1.841 0.091 0.570 1.000 0.667 CA 1.314 10 residues pruned to eliminate duplicates Z: 12 8.123 1.741 0.357 0.568 0.818 0.636 CB 1.186 Z: 18 10.745 1.784 0.310 0.462 0.824 0.529 CB 1.408 18 residues pruned to eliminate duplicates Z: 19 20.020 2.185 0.703 0.547 0.944 0.778 CB 1.282 19 residues pruned to eliminate duplicates Z: 62 46.145 2.276 0.712 0.497 0.934 0.590 CB 1.627 61 residues pruned to eliminate duplicates Z: 23 22.093 1.996 0.469 0.564 0.955 0.682 CB 1.583 23 residues pruned to eliminate duplicates Z: 13 16.891 1.830 0.686 0.701 0.917 0.750 CA 1.435 13 residues pruned to eliminate duplicates Z: 14 8.663 1.750 0.541 0.523 0.923 0.769 CB 0.944 14 residues pruned to eliminate duplicates Z: 22 24.536 2.002 0.651 0.598 0.905 0.762 CB 1.630 22 residues pruned to eliminate duplicates Z: 21 15.624 2.109 0.881 0.465 0.800 0.650 CB 1.141 21 residues pruned to eliminate duplicates Z: 11 6.902 1.742 0.313 0.415 0.800 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 11 12.193 2.074 0.391 0.480 0.900 0.500 CB 1.514 11 residues pruned to eliminate duplicates Z: 8 15.074 1.887 0.854 0.730 1.000 0.857 CB 1.324 8 residues pruned to eliminate duplicates Z: 13 10.752 2.052 0.292 0.343 0.833 0.417 CB 1.667 13 residues pruned to eliminate duplicates Z: 9 12.949 1.807 0.734 0.718 0.875 0.750 CB 1.371 9 residues pruned to eliminate duplicates Z: 9 6.937 1.708 0.830 0.603 0.875 0.750 CB 0.813 9 residues pruned to eliminate duplicates Z: 22 21.281 1.982 0.928 0.556 0.952 0.714 CB 1.208 22 residues pruned to eliminate duplicates Z: 17 7.087 2.095 0.248 0.239 0.750 0.500 CB 1.223 17 residues pruned to eliminate duplicates Z: 12 11.367 1.795 0.461 0.619 1.000 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 12 13.654 1.968 0.963 0.724 0.818 0.818 CB 1.064 11 residues pruned to eliminate duplicates Z: 7 6.989 1.716 -0.011 0.726 1.000 0.500 C 1.371 7 residues pruned to eliminate duplicates Z: 46 34.751 2.115 0.871 0.568 0.867 0.667 CB 1.414 46 residues pruned to eliminate duplicates Z: 17 12.920 1.954 0.649 0.531 0.938 0.562 CB 1.038 29 residues pruned to eliminate duplicates Z: 50 42.065 2.298 0.935 0.509 0.878 0.592 CB 1.525 50 residues pruned to eliminate duplicates Z: 21 25.479 2.224 0.866 0.514 0.950 0.550 CB 1.426 21 residues pruned to eliminate duplicates Z: 58 50.314 2.323 0.764 0.452 0.965 0.596 CB 1.770 58 residues pruned to eliminate duplicates Z: 20 18.682 1.933 0.827 0.529 0.947 0.684 CB 1.245 20 residues pruned to eliminate duplicates Z: 6 4.238 1.243 0.889 0.569 1.000 0.600 C 0.755 Z: 55 25.430 1.970 0.695 0.444 0.815 0.556 CB 1.347 55 residues pruned to eliminate duplicates Z: 16 6.875 1.749 -0.150 0.566 0.800 0.667 N 1.400 15 residues pruned to eliminate duplicates Z: 6 6.128 1.969 -0.288 0.771 1.000 0.800 CB 1.539 6 residues pruned to eliminate duplicates Z: 21 12.665 1.822 0.739 0.359 0.850 0.600 CB 1.225 21 residues pruned to eliminate duplicates Z: 8 6.695 1.584 0.591 0.556 1.000 0.714 N 0.951 Z: 7 3.177 1.636 0.379 0.408 1.000 0.500 C 0.633 Z: 16 16.035 1.883 0.693 0.422 1.000 0.667 CB 1.409 16 residues pruned to eliminate duplicates Z: 7 4.087 1.603 -0.294 0.714 1.000 0.667 O 1.214 Z: 19 18.204 2.170 0.440 0.495 0.944 0.611 CB 1.462 19 residues pruned to eliminate duplicates Z: 53 37.586 2.221 0.812 0.472 0.827 0.558 CB 1.611 53 residues pruned to eliminate duplicates Z: 6 2.274 1.429 -0.136 0.662 0.800 0.800 N 0.886 Z: 7 3.613 1.806 0.237 0.320 0.833 0.333 N 0.966 7 residues pruned to eliminate duplicates Z: 16 9.413 1.710 0.401 0.479 0.800 0.600 CB 1.295 16 residues pruned to eliminate duplicates Z: 12 24.187 2.243 0.724 0.736 1.000 0.818 CB 1.527 12 residues pruned to eliminate duplicates Z: 9 4.065 1.621 0.108 0.353 0.750 0.375 O 1.251 5 residues pruned to eliminate duplicates Z: 94 48.207 2.255 0.725 0.483 0.860 0.559 CB 1.520 94 residues pruned to eliminate duplicates Z: 7 9.150 1.815 0.903 0.708 1.000 0.833 CB 0.895 8 residues pruned to eliminate duplicates Z: 6 2.825 1.463 -0.049 0.536 1.000 0.800 CB 0.877 Z: 25 28.097 2.192 0.910 0.530 0.875 0.667 CB 1.521 25 residues pruned to eliminate duplicates Z: 7 2.949 1.433 0.235 0.366 0.667 0.333 O 1.178 7 residues pruned to eliminate duplicates Z: 35 30.512 2.234 0.825 0.534 0.882 0.647 CB 1.407 35 residues pruned to eliminate duplicates Z: 16 14.549 2.050 0.418 0.500 1.000 0.600 CB 1.292 16 residues pruned to eliminate duplicates Z: 23 13.092 1.852 0.304 0.434 0.864 0.545 CB 1.432 23 residues pruned to eliminate duplicates Z: 10 15.246 1.889 0.491 0.600 1.000 0.778 CB 1.640 10 residues pruned to eliminate duplicates Z: 9 2.841 1.746 0.028 0.256 0.875 0.375 CB 0.846 9 residues pruned to eliminate duplicates Z: 9 13.969 2.189 0.600 0.407 1.000 0.500 CB 1.554 9 residues pruned to eliminate duplicates Z: 25 23.956 2.174 0.762 0.417 0.875 0.583 CB 1.591 25 residues pruned to eliminate duplicates Z: 12 7.896 1.829 0.752 0.313 0.727 0.455 CB 1.256 12 residues pruned to eliminate duplicates Z: 29 15.276 2.025 0.553 0.457 0.786 0.643 CB 1.220 29 residues pruned to eliminate duplicates Z: 10 14.011 1.771 0.601 0.780 0.889 0.889 CA 1.448 10 residues pruned to eliminate duplicates Z: 35 32.689 2.316 0.858 0.484 0.853 0.618 CB 1.552 35 residues pruned to eliminate duplicates Z: 38 36.516 2.247 0.643 0.525 0.973 0.514 CB 1.630 38 residues pruned to eliminate duplicates Z: 19 24.846 2.253 0.702 0.551 1.000 0.667 CB 1.453 19 residues pruned to eliminate duplicates Z: 16 10.664 1.848 0.761 0.347 0.733 0.400 CB 1.361 16 residues pruned to eliminate duplicates Z: 28 17.287 1.682 0.563 0.556 0.963 0.704 CB 1.244 28 residues pruned to eliminate duplicates Z: 7 6.589 1.531 0.793 0.512 0.833 0.333 CB 1.163 Z: 7 4.524 1.572 0.044 0.619 1.000 0.833 CB 1.005 7 residues pruned to eliminate duplicates Z: 40 27.075 1.997 0.690 0.546 0.923 0.564 CB 1.331 40 residues pruned to eliminate duplicates Z: 33 23.781 2.179 0.590 0.444 0.938 0.594 CB 1.372 33 residues pruned to eliminate duplicates Z: 38 50.228 2.380 1.034 0.597 0.946 0.676 CB 1.644 38 residues pruned to eliminate duplicates Z: 42 45.254 2.272 0.982 0.580 0.927 0.610 CB 1.568 42 residues pruned to eliminate duplicates 7 1.258 1.612 -0.408 0.398 0.667 0.500 C 0.898 ? 7 1.960 1.208 0.194 0.382 0.667 0.500 O 0.944 ? Z: 57 39.534 2.286 0.951 0.469 0.857 0.625 CB 1.426 57 residues pruned to eliminate duplicates Z: 23 19.396 1.941 0.939 0.505 0.864 0.682 CB 1.266 23 residues pruned to eliminate duplicates Z: 24 12.641 1.839 0.555 0.438 0.826 0.522 CB 1.190 24 residues pruned to eliminate duplicates Z: 27 23.899 2.177 0.748 0.529 0.808 0.577 CB 1.482 27 residues pruned to eliminate duplicates Z: 27 19.783 2.093 0.708 0.495 0.885 0.615 CB 1.233 27 residues pruned to eliminate duplicates Z: 7 10.103 1.819 0.472 0.658 0.833 0.667 CB 1.596 7 residues pruned to eliminate duplicates Z: 15 13.118 1.866 0.637 0.499 0.929 0.643 CB 1.238 16 residues pruned to eliminate duplicates Z: 31 24.775 2.300 0.354 0.460 0.900 0.533 CB 1.681 31 residues pruned to eliminate duplicates Z: 6 3.177 1.705 -0.214 0.439 1.000 0.600 CB 1.129 5 residues pruned to eliminate duplicates Z: 8 27.545 2.256 0.835 0.898 1.000 0.571 CA 1.799 8 residues pruned to eliminate duplicates Z: 15 10.892 2.010 0.366 0.451 0.929 0.571 CB 1.200 15 residues pruned to eliminate duplicates Z: 71 40.199 2.251 0.722 0.497 0.843 0.500 CB 1.475 71 residues pruned to eliminate duplicates Z: 9 7.339 2.229 0.646 0.335 0.750 0.500 CB 1.130 9 residues pruned to eliminate duplicates Z: 23 24.414 2.028 0.683 0.567 0.864 0.727 CB 1.654 23 residues pruned to eliminate duplicates Z: 7 3.503 1.419 0.251 0.622 1.000 0.500 CB 0.718 7 residues pruned to eliminate duplicates Z: 6 5.416 1.437 0.651 0.535 0.800 0.800 CA 1.233 6 residues pruned to eliminate duplicates Z: 23 20.658 1.871 0.776 0.573 0.909 0.727 CB 1.359 23 residues pruned to eliminate duplicates Z: 18 12.645 2.133 0.428 0.412 0.882 0.353 CB 1.252 18 residues pruned to eliminate duplicates 6 0.492 1.267 0.210 0.100 0.600 0.200 CB 0.399 ? Z: 39 29.412 2.069 0.762 0.543 0.947 0.658 CB 1.325 39 residues pruned to eliminate duplicates Z: 43 38.384 2.265 0.816 0.495 0.905 0.548 CB 1.599 43 residues pruned to eliminate duplicates Z: 7 3.309 1.615 -0.270 0.585 1.000 0.667 CB 1.056 Z: 23 28.289 2.043 0.627 0.648 0.955 0.773 CB 1.655 23 residues pruned to eliminate duplicates Z: 7 6.448 1.336 0.564 0.611 1.000 0.833 CA 1.134 7 residues pruned to eliminate duplicates Z: 23 25.837 1.979 0.668 0.617 0.909 0.727 CB 1.643 23 residues pruned to eliminate duplicates Z: 10 7.226 1.780 0.471 0.310 0.778 0.222 CB 1.460 Z: 7 3.149 1.657 0.154 0.508 0.667 0.500 CB 1.000 3 residues pruned to eliminate duplicates Z: 24 26.778 1.983 0.808 0.573 0.957 0.783 CA 1.516 24 residues pruned to eliminate duplicates Z: 17 33.355 2.322 1.032 0.666 0.938 0.812 CB 1.617 17 residues pruned to eliminate duplicates Z: 54 43.732 2.310 0.791 0.559 0.887 0.547 CB 1.546 54 residues pruned to eliminate duplicates Z: 19 12.428 1.870 0.747 0.564 0.833 0.611 CB 1.011 19 residues pruned to eliminate duplicates Z: 34 23.886 2.065 0.715 0.430 0.909 0.455 CB 1.389 34 residues pruned to eliminate duplicates Z: 77 53.724 2.332 0.746 0.478 0.908 0.592 CB 1.705 77 residues pruned to eliminate duplicates Z: 33 38.722 2.366 0.808 0.476 0.969 0.594 CA 1.692 33 residues pruned to eliminate duplicates Z: 21 13.613 1.813 0.567 0.476 0.900 0.650 CB 1.220 21 residues pruned to eliminate duplicates Z: 78 37.031 2.214 0.716 0.449 0.857 0.558 CB 1.366 78 residues pruned to eliminate duplicates Z: 9 5.370 1.367 0.623 0.237 1.000 0.250 N 1.162 Z: 26 31.244 2.171 0.960 0.617 0.920 0.680 CB 1.429 26 residues pruned to eliminate duplicates Z: 28 22.334 2.108 0.704 0.465 0.815 0.556 CB 1.521 28 residues pruned to eliminate duplicates Z: 18 21.439 2.242 0.524 0.491 0.941 0.588 CA 1.631 18 residues pruned to eliminate duplicates Z: 6 4.982 1.600 0.276 0.553 1.000 0.600 CA 1.036 6 residues pruned to eliminate duplicates Z: 8 5.259 1.697 -0.076 0.522 0.857 0.429 O 1.448 8 residues pruned to eliminate duplicates Z: 53 25.674 1.902 0.703 0.542 0.885 0.654 CB 1.193 53 residues pruned to eliminate duplicates Z: 34 43.588 2.354 0.919 0.524 0.970 0.697 CB 1.692 34 residues pruned to eliminate duplicates Z: 9 5.571 1.662 -0.047 0.483 1.000 0.750 CB 1.265 9 residues pruned to eliminate duplicates Z: 9 5.918 1.568 0.060 0.601 0.875 0.625 O 1.307 7 residues pruned to eliminate duplicates Z: 13 12.442 1.898 0.460 0.471 0.917 0.667 CB 1.456 13 residues pruned to eliminate duplicates Z: 6 2.742 1.419 0.085 0.466 1.000 0.800 CB 0.825 Z: 36 31.174 2.086 0.662 0.517 0.914 0.686 CB 1.634 36 residues pruned to eliminate duplicates Z: 10 3.574 1.818 0.447 0.356 0.556 0.444 CB 0.952 10 residues pruned to eliminate duplicates Z: 13 17.907 1.796 0.915 0.661 0.833 0.750 CB 1.553 13 residues pruned to eliminate duplicates Z: 10 5.684 1.610 0.254 0.360 0.889 0.778 CA 1.228 10 residues pruned to eliminate duplicates Z: 7 3.661 1.600 -0.322 0.680 1.000 0.833 CB 1.167 Z: 7 5.985 1.487 0.920 0.643 0.833 0.833 CB 0.899 Z: 13 13.193 2.099 0.751 0.491 0.833 0.583 CB 1.255 13 residues pruned to eliminate duplicates Z: 12 20.065 2.041 0.768 0.643 1.000 0.636 CA 1.467 12 residues pruned to eliminate duplicates Z: 20 9.479 1.598 0.441 0.590 0.789 0.737 CB 1.098 6 1.919 1.280 0.517 0.404 0.600 0.400 N 0.814 ? Z: 11 3.222 1.515 -0.098 0.403 0.700 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 22 23.965 2.171 0.925 0.550 0.952 0.714 CB 1.251 22 residues pruned to eliminate duplicates Z: 62 42.957 2.278 0.615 0.500 0.934 0.557 CB 1.601 62 residues pruned to eliminate duplicates Z: 15 20.611 2.123 0.948 0.592 0.857 0.643 CB 1.422 15 residues pruned to eliminate duplicates Z: 6 6.704 1.764 0.996 0.492 0.800 0.800 CB 1.073 6 residues pruned to eliminate duplicates Z: 12 9.434 1.723 0.235 0.508 1.000 0.727 CA 1.326 12 residues pruned to eliminate duplicates Z: 39 23.737 1.998 0.642 0.478 0.895 0.579 CB 1.342 39 residues pruned to eliminate duplicates Z: 13 5.348 1.549 0.504 0.356 0.750 0.667 CB 1.033 4 residues pruned to eliminate duplicates Z: 61 43.902 2.159 0.841 0.566 0.900 0.533 CB 1.486 61 residues pruned to eliminate duplicates Z: 19 21.535 2.104 0.952 0.384 0.889 0.444 CB 1.572 19 residues pruned to eliminate duplicates Z: 12 11.742 1.882 0.796 0.610 0.909 0.545 CB 1.038 12 residues pruned to eliminate duplicates Z: 12 5.478 2.204 0.382 0.208 0.727 0.545 CB 1.053 12 residues pruned to eliminate duplicates Z: 15 13.428 2.237 0.881 0.427 0.857 0.571 CB 1.073 15 residues pruned to eliminate duplicates Z: 11 18.634 2.100 0.659 0.812 0.900 0.700 CA 1.433 11 residues pruned to eliminate duplicates Z: 39 32.057 2.226 0.539 0.446 0.974 0.526 CA 1.646 39 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 5.396 1.622 0.082 0.497 0.889 0.556 CB 1.156 Z: 12 22.281 1.987 0.919 0.739 1.000 0.545 CA 1.422 14 residues pruned to eliminate duplicates Z: 10 22.877 2.105 1.145 0.795 0.889 0.556 CA 1.466 11 residues pruned to eliminate duplicates Z: 10 15.521 2.119 0.712 0.768 0.778 0.333 CA 1.446 10 residues pruned to eliminate duplicates Z: 17 20.443 2.029 1.057 0.523 0.812 0.500 CA 1.473 16 residues pruned to eliminate duplicates Z: 12 20.492 1.980 1.034 0.811 0.818 0.455 CA 1.430 12 residues pruned to eliminate duplicates Z: 16 21.858 2.147 1.004 0.591 0.800 0.733 CA 1.502 16 residues pruned to eliminate duplicates Z: 16 19.889 1.982 0.860 0.484 1.000 0.467 CA 1.415 16 residues pruned to eliminate duplicates Z: 10 21.612 2.181 0.801 0.833 0.889 0.444 CA 1.548 10 residues pruned to eliminate duplicates Z: 12 17.643 1.998 0.793 0.659 0.909 0.727 CA 1.410 12 residues pruned to eliminate duplicates Z: 17 19.096 2.104 0.957 0.564 0.750 0.625 CA 1.453 17 residues pruned to eliminate duplicates Z: 19 21.276 1.911 0.983 0.611 0.833 0.556 CA 1.429 19 residues pruned to eliminate duplicates Z: 17 18.135 1.891 0.897 0.595 0.812 0.562 CA 1.421 17 residues pruned to eliminate duplicates Z: 28 22.402 2.164 0.697 0.515 0.852 0.630 CB 1.358 28 residues pruned to eliminate duplicates Z: 40 29.315 2.101 0.770 0.562 0.846 0.538 CB 1.405 40 residues pruned to eliminate duplicates Z: 30 24.428 1.999 0.830 0.557 0.828 0.621 CB 1.418 30 residues pruned to eliminate duplicates Z: 29 24.731 2.141 0.714 0.524 0.893 0.643 CB 1.393 29 residues pruned to eliminate duplicates Z: 28 23.472 2.176 0.806 0.534 0.852 0.741 CB 1.305 28 residues pruned to eliminate duplicates Z: 27 19.854 2.115 0.730 0.508 0.885 0.692 CB 1.194 27 residues pruned to eliminate duplicates Z: 27 20.812 2.093 0.708 0.462 0.885 0.538 CB 1.342 27 residues pruned to eliminate duplicates Z: 39 24.662 2.006 0.773 0.533 0.816 0.579 CB 1.335 39 residues pruned to eliminate duplicates Z: 40 28.924 2.082 0.663 0.529 0.897 0.564 CB 1.449 40 residues pruned to eliminate duplicates Z: 28 25.883 2.176 0.878 0.534 0.852 0.741 CB 1.384 28 residues pruned to eliminate duplicates Z: 25 23.544 2.167 0.861 0.488 0.875 0.708 CB 1.378 25 residues pruned to eliminate duplicates Z: 45 28.062 2.076 0.670 0.525 0.841 0.545 CB 1.415 45 residues pruned to eliminate duplicates Z: 29 21.082 2.128 0.742 0.485 0.821 0.536 CB 1.328 29 residues pruned to eliminate duplicates Z: 21 13.763 2.118 0.645 0.430 0.750 0.500 CB 1.266 21 residues pruned to eliminate duplicates Z: 31 18.781 2.035 0.664 0.440 0.900 0.633 CB 1.197 31 residues pruned to eliminate duplicates Z: 41 22.644 1.968 0.684 0.493 0.850 0.600 CB 1.280 41 residues pruned to eliminate duplicates Z: 20 19.767 2.156 0.745 0.456 0.947 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 17 18.998 2.067 0.726 0.493 1.000 0.750 CB 1.341 17 residues pruned to eliminate duplicates Z: 29 23.105 2.147 0.894 0.513 0.821 0.571 CB 1.290 29 residues pruned to eliminate duplicates Z: 24 22.065 2.201 0.729 0.518 0.870 0.696 CB 1.366 24 residues pruned to eliminate duplicates Z: 40 29.256 2.086 0.825 0.504 0.846 0.590 CB 1.449 40 residues pruned to eliminate duplicates Z: 7 2.999 1.475 0.312 0.320 0.667 0.333 C 1.157 7 residues pruned to eliminate duplicates Z: 11 12.544 1.928 0.635 0.643 0.800 0.800 CB 1.376 11 residues pruned to eliminate duplicates Z: 24 19.741 1.847 0.637 0.601 0.913 0.739 CB 1.354 24 residues pruned to eliminate duplicates Z: 12 16.719 1.911 0.823 0.625 0.909 0.818 CB 1.414 12 residues pruned to eliminate duplicates Z: 40 24.452 1.916 0.721 0.477 0.949 0.641 CB 1.281 40 residues pruned to eliminate duplicates Z: 12 13.364 1.766 0.882 0.657 0.818 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 24 16.647 1.842 0.604 0.570 0.870 0.696 CB 1.263 24 residues pruned to eliminate duplicates Z: 25 14.994 1.769 0.533 0.516 0.875 0.583 CB 1.270 25 residues pruned to eliminate duplicates Z: 26 16.801 1.790 0.553 0.528 0.920 0.640 CB 1.278 26 residues pruned to eliminate duplicates Z: 31 16.035 1.810 0.469 0.486 0.933 0.633 CB 1.196 31 residues pruned to eliminate duplicates Z: 12 7.301 1.784 0.266 0.415 0.818 0.455 CA 1.302 12 residues pruned to eliminate duplicates Z: 83 45.693 2.150 0.794 0.511 0.902 0.671 CB 1.434 83 residues pruned to eliminate duplicates Z: 13 8.643 1.847 0.347 0.432 0.833 0.667 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 11.435 1.922 0.349 0.541 1.000 0.636 CB 1.277 12 residues pruned to eliminate duplicates Z: 13 8.563 1.819 0.411 0.515 0.833 0.667 CB 1.139 13 residues pruned to eliminate duplicates Z: 26 16.650 1.871 0.495 0.499 0.960 0.760 CB 1.242 26 residues pruned to eliminate duplicates Z: 23 14.032 2.006 0.487 0.443 0.818 0.545 CB 1.300 23 residues pruned to eliminate duplicates Z: 11 13.340 1.980 0.486 0.514 1.000 0.800 CB 1.414 11 residues pruned to eliminate duplicates Z: 32 22.698 1.991 0.670 0.498 0.903 0.677 CB 1.359 32 residues pruned to eliminate duplicates Z: 25 14.977 2.022 0.481 0.386 0.792 0.500 CB 1.455 25 residues pruned to eliminate duplicates Z: 60 27.477 2.009 0.616 0.482 0.881 0.627 CB 1.274 60 residues pruned to eliminate duplicates Z: 59 40.157 2.317 0.721 0.507 0.879 0.603 CB 1.494 59 residues pruned to eliminate duplicates Z: 8 12.829 2.327 0.816 0.465 0.714 0.429 CB 1.665 8 residues pruned to eliminate duplicates Z: 36 20.902 1.987 0.570 0.435 0.829 0.514 CB 1.462 36 residues pruned to eliminate duplicates Z: 8 13.707 2.315 0.857 0.475 0.714 0.429 CB 1.731 8 residues pruned to eliminate duplicates Z: 9 10.038 2.160 0.608 0.425 0.750 0.500 CB 1.473 9 residues pruned to eliminate duplicates Z: 59 41.980 2.331 0.878 0.508 0.845 0.603 CB 1.479 59 residues pruned to eliminate duplicates Z: 58 44.724 2.330 0.855 0.510 0.912 0.614 CB 1.488 58 residues pruned to eliminate duplicates Z: 59 44.155 2.342 0.949 0.485 0.862 0.534 CB 1.496 59 residues pruned to eliminate duplicates Z: 70 42.422 2.286 0.786 0.475 0.841 0.652 CB 1.526 70 residues pruned to eliminate duplicates Z: 25 12.947 2.099 0.569 0.299 0.875 0.458 CB 1.147 25 residues pruned to eliminate duplicates Z: 58 43.065 2.343 0.853 0.507 0.895 0.596 CB 1.457 58 residues pruned to eliminate duplicates Z: 59 43.886 2.356 0.851 0.489 0.862 0.603 CB 1.550 59 residues pruned to eliminate duplicates Z: 59 43.477 2.307 0.866 0.507 0.897 0.586 CB 1.469 59 residues pruned to eliminate duplicates Z: 51 41.316 2.329 0.800 0.508 0.900 0.580 CB 1.537 51 residues pruned to eliminate duplicates Z: 44 36.414 2.333 0.841 0.500 0.837 0.605 CB 1.545 44 residues pruned to eliminate duplicates Z: 50 41.078 2.361 0.867 0.483 0.857 0.633 CB 1.579 50 residues pruned to eliminate duplicates Z: 59 44.668 2.314 0.929 0.501 0.879 0.621 CB 1.493 59 residues pruned to eliminate duplicates Z: 77 42.239 2.244 0.849 0.463 0.855 0.645 CB 1.418 77 residues pruned to eliminate duplicates Z: 52 42.305 2.333 0.931 0.477 0.902 0.569 CB 1.491 52 residues pruned to eliminate duplicates Z: 35 35.137 2.303 0.955 0.503 0.824 0.588 CB 1.620 35 residues pruned to eliminate duplicates Z: 57 33.073 2.183 0.850 0.394 0.804 0.571 CB 1.523 57 residues pruned to eliminate duplicates Z: 51 42.434 2.335 1.020 0.511 0.860 0.600 CB 1.464 51 residues pruned to eliminate duplicates Z: 51 42.106 2.343 0.986 0.499 0.840 0.620 CB 1.526 51 residues pruned to eliminate duplicates Z: 70 38.452 2.197 0.778 0.469 0.884 0.638 CB 1.383 70 residues pruned to eliminate duplicates Z: 51 42.071 2.331 0.879 0.485 0.920 0.620 CB 1.498 51 residues pruned to eliminate duplicates Z: 58 44.395 2.317 0.863 0.518 0.895 0.561 CB 1.496 58 residues pruned to eliminate duplicates Z: 50 48.163 2.357 1.028 0.509 0.918 0.551 CB 1.553 50 residues pruned to eliminate duplicates Z: 52 37.615 2.350 0.772 0.457 0.863 0.529 CB 1.533 52 residues pruned to eliminate duplicates Z: 54 43.745 2.342 1.021 0.498 0.868 0.623 CB 1.465 54 residues pruned to eliminate duplicates Z: 41 54.640 2.402 1.087 0.595 0.950 0.600 CB 1.657 41 residues pruned to eliminate duplicates Z: 47 42.981 2.355 0.944 0.509 0.913 0.652 CB 1.503 47 residues pruned to eliminate duplicates Z: 57 47.445 2.344 0.906 0.515 0.929 0.589 CB 1.505 57 residues pruned to eliminate duplicates Z: 34 49.788 2.405 1.160 0.613 0.909 0.697 CB 1.649 34 residues pruned to eliminate duplicates Z: 57 49.276 2.347 1.038 0.519 0.875 0.625 CB 1.544 57 residues pruned to eliminate duplicates Z: 50 44.603 2.350 0.981 0.525 0.857 0.612 CB 1.557 50 residues pruned to eliminate duplicates Z: 25 36.979 2.294 1.037 0.579 0.833 0.625 CB 1.796 25 residues pruned to eliminate duplicates Z: 26 36.019 2.348 1.175 0.547 0.840 0.600 CB 1.604 26 residues pruned to eliminate duplicates Z: 27 36.536 2.286 1.150 0.563 0.885 0.654 CB 1.551 27 residues pruned to eliminate duplicates Z: 26 38.401 2.328 1.111 0.557 0.920 0.720 CB 1.606 26 residues pruned to eliminate duplicates Z: 66 43.609 2.269 0.851 0.512 0.862 0.615 CB 1.477 66 residues pruned to eliminate duplicates Z: 41 46.612 2.377 1.065 0.576 0.875 0.650 CB 1.595 41 residues pruned to eliminate duplicates Z: 40 37.123 2.365 0.885 0.508 0.846 0.590 CB 1.563 40 residues pruned to eliminate duplicates Z: 40 53.667 2.431 1.076 0.602 0.923 0.641 CB 1.674 40 residues pruned to eliminate duplicates Z: 26 41.493 2.355 1.175 0.607 0.920 0.640 CB 1.590 26 residues pruned to eliminate duplicates Z: 25 38.395 2.403 1.007 0.624 0.958 0.667 CB 1.509 25 residues pruned to eliminate duplicates Z: 58 43.680 2.348 0.896 0.504 0.877 0.632 CB 1.476 58 residues pruned to eliminate duplicates Z: 37 39.744 2.322 1.052 0.523 0.861 0.528 CB 1.578 37 residues pruned to eliminate duplicates Z: 28 35.343 2.251 1.078 0.518 0.889 0.593 CB 1.607 28 residues pruned to eliminate duplicates Z: 26 41.603 2.381 1.028 0.617 0.920 0.680 CB 1.676 26 residues pruned to eliminate duplicates Z: 26 38.339 2.362 1.153 0.582 0.880 0.600 CB 1.584 26 residues pruned to eliminate duplicates Z: 25 41.367 2.390 1.047 0.602 0.917 0.708 CB 1.708 25 residues pruned to eliminate duplicates Z: 71 49.440 2.277 0.917 0.499 0.914 0.629 CB 1.482 71 residues pruned to eliminate duplicates Z: 70 46.024 2.301 0.843 0.508 0.884 0.638 CB 1.466 70 residues pruned to eliminate duplicates Z: 49 41.576 2.308 0.917 0.489 0.917 0.625 CB 1.497 49 residues pruned to eliminate duplicates Z: 15 20.381 2.231 0.951 0.521 0.929 0.571 CB 1.320 15 residues pruned to eliminate duplicates Z: 64 44.379 2.295 0.936 0.487 0.857 0.603 CB 1.487 64 residues pruned to eliminate duplicates Z: 44 47.606 2.353 1.013 0.552 0.907 0.628 CB 1.606 44 residues pruned to eliminate duplicates Z: 45 48.178 2.345 0.952 0.549 0.909 0.636 CB 1.664 45 residues pruned to eliminate duplicates Z: 17 20.617 2.159 0.794 0.450 0.938 0.688 CB 1.494 17 residues pruned to eliminate duplicates 6 1.676 1.696 0.422 0.101 0.600 0.600 CB 0.861 ? Z: 24 17.735 2.087 0.650 0.427 0.783 0.522 CB 1.480 24 residues pruned to eliminate duplicates Z: 11 12.168 2.164 0.588 0.424 0.800 0.600 CA 1.515 11 residues pruned to eliminate duplicates Z: 54 49.175 2.308 0.897 0.557 0.925 0.679 CB 1.579 54 residues pruned to eliminate duplicates Z: 12 10.584 2.021 0.247 0.449 0.909 0.727 CB 1.468 12 residues pruned to eliminate duplicates Z: 22 19.435 2.067 0.673 0.347 0.952 0.571 CB 1.521 47 residues pruned to eliminate duplicates Z: 7 6.366 1.548 1.112 0.395 1.000 0.833 N 0.888 7 residues pruned to eliminate duplicates Z: 15 20.733 2.061 1.022 0.495 0.929 0.643 CB 1.440 15 residues pruned to eliminate duplicates Z: 13 17.069 2.190 0.689 0.496 0.917 0.500 CB 1.460 13 residues pruned to eliminate duplicates Z: 14 7.570 1.920 0.675 0.387 0.692 0.385 CB 1.063 14 residues pruned to eliminate duplicates Z: 33 25.144 2.127 0.736 0.494 0.906 0.406 CB 1.336 39 residues pruned to eliminate duplicates Z: 6 4.507 1.716 0.503 0.290 0.800 0.200 CA 1.237 6 residues pruned to eliminate duplicates Z: 20 20.763 2.180 0.601 0.480 0.947 0.579 CB 1.470 20 residues pruned to eliminate duplicates Z: 25 22.770 2.199 0.682 0.456 0.958 0.625 CB 1.371 25 residues pruned to eliminate duplicates Z: 32 27.233 2.088 0.946 0.466 0.935 0.645 CB 1.333 39 residues pruned to eliminate duplicates Z: 19 26.152 2.264 0.811 0.566 1.000 0.833 CB 1.410 19 residues pruned to eliminate duplicates Z: 57 40.479 2.266 0.775 0.493 0.875 0.589 CB 1.548 37 residues pruned to eliminate duplicates Z: 7 4.161 2.005 0.495 0.256 0.667 0.667 CB 1.124 7 residues pruned to eliminate duplicates Z: 19 25.223 2.285 0.827 0.562 1.000 0.833 CB 1.341 19 residues pruned to eliminate duplicates Z: 20 28.324 2.240 0.979 0.603 1.000 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 18 20.332 2.174 0.757 0.510 1.000 0.706 CB 1.278 18 residues pruned to eliminate duplicates Z: 28 21.367 2.101 0.679 0.496 0.889 0.593 CB 1.317 28 residues pruned to eliminate duplicates Z: 23 17.032 1.936 0.732 0.461 0.909 0.409 CB 1.240 Z: 6 6.430 1.899 0.932 0.245 0.800 0.200 CA 1.316 6 residues pruned to eliminate duplicates Z: 13 11.401 1.972 0.812 0.409 0.833 0.417 CB 1.216 13 residues pruned to eliminate duplicates Z: 35 27.084 2.176 0.853 0.439 0.882 0.559 CB 1.390 58 residues pruned to eliminate duplicates Z: 21 23.190 2.038 0.804 0.505 0.950 0.550 CA 1.477 Z: 6 6.227 1.588 0.816 0.477 0.800 0.800 C 1.235 6 residues pruned to eliminate duplicates Z: 15 20.122 1.885 0.748 0.593 1.000 0.500 CA 1.494 15 residues pruned to eliminate duplicates Z: 12 19.737 2.017 0.651 0.690 1.000 0.818 CA 1.502 12 residues pruned to eliminate duplicates Z: 23 23.971 2.002 0.818 0.483 0.955 0.545 CB 1.496 21 residues pruned to eliminate duplicates Z: 6 4.388 1.372 1.301 0.382 1.000 0.800 CB 0.705 6 residues pruned to eliminate duplicates Z: 12 24.607 2.179 0.909 0.797 0.909 0.727 CB 1.513 12 residues pruned to eliminate duplicates Z: 14 17.685 1.946 0.750 0.684 1.000 0.769 CB 1.217 14 residues pruned to eliminate duplicates Z: 66 51.046 2.301 0.808 0.495 0.923 0.569 CA 1.656 66 residues pruned to eliminate duplicates Z: 15 19.406 2.143 0.776 0.596 0.929 0.571 CB 1.339 15 residues pruned to eliminate duplicates Z: 16 19.654 2.126 1.030 0.582 0.800 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 17 24.191 2.051 1.066 0.636 0.875 0.625 CB 1.437 17 residues pruned to eliminate duplicates Z: 24 15.575 1.927 0.687 0.454 0.826 0.435 CB 1.267 24 residues pruned to eliminate duplicates Z: 15 19.081 2.123 0.603 0.650 0.929 0.429 CB 1.404 15 residues pruned to eliminate duplicates Z: 16 20.204 2.205 0.826 0.599 0.867 0.667 CB 1.360 16 residues pruned to eliminate duplicates Z: 13 17.072 2.100 0.735 0.665 0.833 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 36 26.815 2.028 0.508 0.591 0.886 0.686 CB 1.533 36 residues pruned to eliminate duplicates Z: 37 35.495 2.034 0.667 0.639 0.972 0.778 CB 1.576 37 residues pruned to eliminate duplicates Z: 6 6.676 1.809 0.605 0.260 1.000 0.800 CA 1.353 6 residues pruned to eliminate duplicates Z: 22 26.673 2.117 0.633 0.582 0.905 0.714 CB 1.720 22 residues pruned to eliminate duplicates Z: 17 8.904 1.886 0.400 0.389 0.750 0.625 CB 1.265 17 residues pruned to eliminate duplicates Z: 20 15.016 1.740 0.656 0.411 0.895 0.632 CB 1.467 20 residues pruned to eliminate duplicates Z: 21 31.833 2.132 0.806 0.623 0.950 0.800 CB 1.733 21 residues pruned to eliminate duplicates Z: 6 6.301 1.990 0.522 0.254 0.800 0.600 CA 1.542 6 residues pruned to eliminate duplicates Z: 21 27.707 2.109 0.824 0.576 0.850 0.750 CB 1.760 21 residues pruned to eliminate duplicates Z: 16 12.636 1.886 0.755 0.378 0.733 0.467 CB 1.531 16 residues pruned to eliminate duplicates Z: 22 27.223 2.049 0.696 0.601 0.905 0.667 CB 1.715 22 residues pruned to eliminate duplicates Z: 30 27.242 2.047 0.702 0.531 0.862 0.724 CB 1.634 31 residues pruned to eliminate duplicates Z: 6 5.047 1.907 0.312 0.404 0.800 0.600 CB 1.247 6 residues pruned to eliminate duplicates Z: 9 6.252 1.924 0.374 0.239 0.875 0.375 CB 1.294 9 residues pruned to eliminate duplicates Z: 11 8.400 1.892 0.457 0.321 0.800 0.400 CB 1.467 11 residues pruned to eliminate duplicates Z: 13 8.544 1.755 0.579 0.361 0.750 0.333 CB 1.378 13 residues pruned to eliminate duplicates Z: 12 8.118 1.807 0.411 0.398 0.818 0.455 CB 1.306 12 residues pruned to eliminate duplicates Z: 10 5.892 1.878 0.394 0.269 0.778 0.333 CB 1.254 10 residues pruned to eliminate duplicates Z: 11 8.661 1.982 0.352 0.454 0.800 0.600 CB 1.339 11 residues pruned to eliminate duplicates Z: 11 6.035 1.841 0.536 0.339 0.700 0.400 CB 1.149 11 residues pruned to eliminate duplicates Z: 27 25.069 2.193 0.593 0.530 0.885 0.615 CB 1.545 27 residues pruned to eliminate duplicates Z: 62 44.421 2.357 0.579 0.476 0.951 0.607 CB 1.647 62 residues pruned to eliminate duplicates Z: 24 24.369 2.249 0.702 0.471 0.826 0.565 CB 1.654 24 residues pruned to eliminate duplicates Z: 62 42.810 2.288 0.681 0.489 0.902 0.623 CB 1.599 62 residues pruned to eliminate duplicates Z: 27 28.549 2.205 0.743 0.535 0.885 0.577 CA 1.592 27 residues pruned to eliminate duplicates Z: 77 56.062 2.338 0.751 0.497 0.921 0.566 CB 1.712 77 residues pruned to eliminate duplicates Z: 19 20.518 2.291 0.480 0.499 0.889 0.667 CB 1.607 19 residues pruned to eliminate duplicates Z: 28 30.255 2.146 0.735 0.576 0.926 0.667 CB 1.569 28 residues pruned to eliminate duplicates Z: 41 38.642 2.215 0.874 0.551 0.875 0.575 CA 1.601 41 residues pruned to eliminate duplicates Z: 26 28.258 2.187 0.838 0.497 0.880 0.600 CB 1.603 26 residues pruned to eliminate duplicates Z: 67 47.714 2.292 0.692 0.495 0.939 0.591 CB 1.620 67 residues pruned to eliminate duplicates Z: 25 26.517 2.154 0.740 0.495 0.917 0.625 CB 1.583 25 residues pruned to eliminate duplicates Z: 26 30.019 2.206 0.762 0.532 0.920 0.600 CB 1.627 26 residues pruned to eliminate duplicates Z: 27 25.983 2.167 0.639 0.509 0.885 0.538 CB 1.607 27 residues pruned to eliminate duplicates Z: 41 38.561 2.287 0.709 0.528 0.900 0.600 CB 1.687 41 residues pruned to eliminate duplicates Z: 11 7.596 1.799 0.697 0.228 0.900 0.400 CB 1.200 11 residues pruned to eliminate duplicates Z: 61 44.429 2.257 0.715 0.484 0.933 0.583 CB 1.614 61 residues pruned to eliminate duplicates Z: 30 24.973 2.100 0.750 0.448 0.862 0.517 CB 1.544 30 residues pruned to eliminate duplicates Z: 41 36.367 2.256 0.818 0.522 0.850 0.650 CB 1.613 41 residues pruned to eliminate duplicates Z: 79 56.909 2.303 0.800 0.518 0.923 0.487 CB 1.654 79 residues pruned to eliminate duplicates Z: 37 28.276 2.258 0.663 0.450 0.806 0.472 CB 1.641 37 residues pruned to eliminate duplicates Z: 41 36.175 2.259 0.779 0.514 0.850 0.600 CB 1.651 41 residues pruned to eliminate duplicates Z: 58 42.416 2.341 0.748 0.445 0.860 0.526 CB 1.690 58 residues pruned to eliminate duplicates Z: 18 29.004 2.348 0.631 0.498 1.000 0.588 CA 1.841 18 residues pruned to eliminate duplicates Z: 39 30.509 2.306 0.565 0.440 0.895 0.553 CB 1.631 39 residues pruned to eliminate duplicates Z: 35 31.154 2.307 0.620 0.468 0.853 0.529 CB 1.732 35 residues pruned to eliminate duplicates Z: 55 44.813 2.351 0.666 0.451 0.981 0.556 CA 1.667 55 residues pruned to eliminate duplicates Z: 54 50.855 2.398 0.748 0.504 0.962 0.604 CB 1.725 54 residues pruned to eliminate duplicates Z: 35 30.556 2.273 0.700 0.436 0.882 0.500 CB 1.641 35 residues pruned to eliminate duplicates Z: 50 48.559 2.394 0.772 0.496 0.939 0.592 CA 1.749 50 residues pruned to eliminate duplicates Z: 56 46.763 2.340 0.750 0.454 0.945 0.564 CA 1.707 56 residues pruned to eliminate duplicates Z: 41 41.706 2.322 0.755 0.489 0.975 0.600 CB 1.678 41 residues pruned to eliminate duplicates Z: 79 56.706 2.288 0.808 0.506 0.936 0.564 CB 1.648 79 residues pruned to eliminate duplicates Z: 33 31.609 2.288 0.767 0.458 0.844 0.438 CA 1.710 33 residues pruned to eliminate duplicates Z: 54 50.231 2.403 0.732 0.498 0.943 0.585 CA 1.760 54 residues pruned to eliminate duplicates Z: 54 49.187 2.368 0.737 0.502 0.943 0.623 CA 1.737 54 residues pruned to eliminate duplicates Z: 79 60.867 2.323 0.773 0.527 0.949 0.577 CB 1.717 79 residues pruned to eliminate duplicates Z: 49 38.389 2.284 0.732 0.418 0.917 0.542 CB 1.664 49 residues pruned to eliminate duplicates Z: 40 35.945 2.309 0.587 0.453 0.974 0.615 CB 1.692 40 residues pruned to eliminate duplicates Z: 56 45.550 2.317 0.685 0.492 0.927 0.582 CB 1.710 56 residues pruned to eliminate duplicates Z: 61 46.802 2.311 0.653 0.485 0.933 0.617 CB 1.720 61 residues pruned to eliminate duplicates Z: 38 34.787 2.268 0.729 0.444 0.946 0.486 CB 1.634 38 residues pruned to eliminate duplicates Z: 38 40.922 2.369 0.712 0.470 0.946 0.649 CB 1.807 38 residues pruned to eliminate duplicates Z: 72 58.692 2.367 0.790 0.484 0.944 0.592 CB 1.771 72 residues pruned to eliminate duplicates Z: 73 56.260 2.317 0.827 0.475 0.931 0.597 CA 1.727 73 residues pruned to eliminate duplicates Z: 34 32.747 2.321 0.573 0.458 0.939 0.636 CB 1.735 34 residues pruned to eliminate duplicates Z: 59 47.634 2.297 0.769 0.497 0.914 0.655 CB 1.691 59 residues pruned to eliminate duplicates Z: 18 15.740 2.112 0.415 0.412 0.941 0.588 CB 1.488 18 residues pruned to eliminate duplicates Z: 57 47.178 2.362 0.609 0.457 0.964 0.554 CA 1.797 57 residues pruned to eliminate duplicates Z: 55 49.943 2.373 0.740 0.480 0.944 0.537 CB 1.779 55 residues pruned to eliminate duplicates Z: 72 46.808 2.281 0.577 0.446 0.958 0.521 CB 1.706 72 residues pruned to eliminate duplicates Z: 60 47.458 2.341 0.654 0.493 0.932 0.610 CB 1.723 60 residues pruned to eliminate duplicates Z: 71 49.076 2.319 0.681 0.453 0.929 0.557 CB 1.701 71 residues pruned to eliminate duplicates Z: 50 44.589 2.376 0.582 0.486 0.980 0.571 CA 1.755 50 residues pruned to eliminate duplicates Z: 37 32.261 2.307 0.604 0.468 0.917 0.500 CB 1.638 37 residues pruned to eliminate duplicates Z: 43 34.843 2.313 0.518 0.442 0.976 0.476 CB 1.665 43 residues pruned to eliminate duplicates Z: 53 40.104 2.290 0.624 0.424 0.923 0.462 CB 1.754 53 residues pruned to eliminate duplicates Z: 77 55.293 2.318 0.806 0.501 0.908 0.579 CB 1.668 77 residues pruned to eliminate duplicates Z: 78 57.807 2.347 0.744 0.491 0.935 0.649 CB 1.737 78 residues pruned to eliminate duplicates Z: 78 55.635 2.315 0.711 0.477 0.948 0.597 CB 1.729 78 residues pruned to eliminate duplicates Z: 36 39.539 2.360 0.819 0.481 0.971 0.600 CB 1.634 36 residues pruned to eliminate duplicates Z: 53 46.513 2.402 0.704 0.458 0.904 0.577 CA 1.821 53 residues pruned to eliminate duplicates Z: 54 44.834 2.409 0.567 0.450 0.962 0.585 CB 1.784 54 residues pruned to eliminate duplicates Z: 76 54.351 2.336 0.783 0.491 0.907 0.613 CB 1.678 76 residues pruned to eliminate duplicates Z: 55 39.018 2.184 0.761 0.470 0.963 0.630 CB 1.479 55 residues pruned to eliminate duplicates Z: 53 36.535 2.289 0.636 0.407 0.885 0.558 CB 1.686 53 residues pruned to eliminate duplicates Z: 50 43.281 2.362 0.680 0.462 0.939 0.592 CB 1.726 50 residues pruned to eliminate duplicates Z: 55 50.791 2.382 0.761 0.476 0.944 0.630 CB 1.788 55 residues pruned to eliminate duplicates Z: 23 31.184 2.310 0.891 0.461 0.909 0.682 CA 1.742 23 residues pruned to eliminate duplicates Z: 51 40.530 2.368 0.695 0.461 0.900 0.600 CB 1.652 51 residues pruned to eliminate duplicates Z: 16 23.394 2.363 0.692 0.476 0.933 0.800 CA 1.659 16 residues pruned to eliminate duplicates Z: 56 48.996 2.334 0.790 0.488 0.927 0.527 CB 1.726 56 residues pruned to eliminate duplicates Z: 52 45.887 2.357 0.751 0.458 0.922 0.608 CA 1.763 52 residues pruned to eliminate duplicates Z: 52 49.254 2.348 0.823 0.458 0.941 0.588 CA 1.787 52 residues pruned to eliminate duplicates Z: 58 35.283 2.333 0.684 0.460 0.825 0.526 CB 1.503 64 residues pruned to eliminate duplicates Z: 56 41.513 2.327 0.748 0.506 0.909 0.473 CB 1.505 56 residues pruned to eliminate duplicates Z: 51 35.141 2.293 0.745 0.457 0.860 0.580 CB 1.509 51 residues pruned to eliminate duplicates Z: 69 42.514 2.303 0.662 0.492 0.897 0.574 CB 1.514 69 residues pruned to eliminate duplicates Z: 63 40.168 2.330 0.720 0.478 0.855 0.613 CB 1.523 63 residues pruned to eliminate duplicates Z: 57 43.392 2.327 0.723 0.517 0.893 0.464 CB 1.593 57 residues pruned to eliminate duplicates Z: 54 44.000 2.296 0.821 0.534 0.868 0.660 CB 1.610 54 residues pruned to eliminate duplicates Z: 13 15.378 2.295 0.627 0.420 0.750 0.417 CB 1.722 13 residues pruned to eliminate duplicates Z: 63 43.488 2.326 0.779 0.500 0.903 0.548 CB 1.478 63 residues pruned to eliminate duplicates Z: 69 43.528 2.286 0.744 0.473 0.926 0.544 CB 1.469 69 residues pruned to eliminate duplicates Z: 64 44.793 2.280 0.753 0.485 0.937 0.571 CB 1.531 64 residues pruned to eliminate duplicates Z: 51 44.449 2.312 0.793 0.542 0.920 0.600 CB 1.581 51 residues pruned to eliminate duplicates Z: 44 42.628 2.392 0.801 0.551 0.884 0.581 CB 1.625 44 residues pruned to eliminate duplicates Z: 46 44.858 2.359 0.950 0.544 0.889 0.600 CB 1.566 46 residues pruned to eliminate duplicates Z: 42 41.932 2.371 0.818 0.569 0.902 0.610 CB 1.575 42 residues pruned to eliminate duplicates Z: 26 37.701 2.386 0.860 0.604 0.880 0.640 CB 1.748 26 residues pruned to eliminate duplicates Z: 52 43.472 2.324 0.795 0.533 0.902 0.647 CB 1.566 52 residues pruned to eliminate duplicates Z: 54 43.029 2.344 0.704 0.564 0.887 0.566 CB 1.568 54 residues pruned to eliminate duplicates Z: 45 31.740 2.223 0.754 0.497 0.818 0.500 CB 1.504 45 residues pruned to eliminate duplicates Z: 73 45.208 2.293 0.739 0.510 0.889 0.611 CB 1.488 73 residues pruned to eliminate duplicates Z: 44 41.733 2.395 0.797 0.553 0.860 0.674 CB 1.632 44 residues pruned to eliminate duplicates Z: 77 42.633 2.272 0.684 0.473 0.868 0.605 CB 1.512 77 residues pruned to eliminate duplicates Z: 45 40.792 2.364 0.776 0.555 0.909 0.591 CB 1.527 45 residues pruned to eliminate duplicates Z: 46 41.423 2.362 0.815 0.544 0.867 0.600 CB 1.591 46 residues pruned to eliminate duplicates Z: 40 47.115 2.382 1.026 0.563 0.897 0.615 CB 1.640 40 residues pruned to eliminate duplicates Z: 62 47.433 2.352 0.877 0.499 0.918 0.590 CB 1.500 62 residues pruned to eliminate duplicates Z: 73 41.827 2.302 0.767 0.507 0.847 0.583 CB 1.420 73 residues pruned to eliminate duplicates Z: 75 43.779 2.284 0.782 0.488 0.892 0.554 CB 1.419 75 residues pruned to eliminate duplicates Z: 53 39.165 2.261 0.794 0.482 0.885 0.481 CB 1.542 53 residues pruned to eliminate duplicates Z: 49 30.918 2.128 0.758 0.504 0.875 0.479 CB 1.357 49 residues pruned to eliminate duplicates Z: 69 41.980 2.317 0.778 0.484 0.868 0.574 CB 1.448 69 residues pruned to eliminate duplicates Z: 59 41.248 2.319 0.848 0.494 0.879 0.534 CB 1.447 59 residues pruned to eliminate duplicates Z: 70 47.248 2.319 0.878 0.452 0.870 0.565 CB 1.578 77 residues pruned to eliminate duplicates Z: 40 40.455 2.281 1.010 0.487 0.872 0.667 CB 1.643 40 residues pruned to eliminate duplicates Z: 67 41.959 2.303 0.728 0.467 0.894 0.515 CB 1.501 67 residues pruned to eliminate duplicates Z: 53 51.277 2.321 0.965 0.518 0.923 0.673 CB 1.659 53 residues pruned to eliminate duplicates Z: 19 23.392 2.234 0.954 0.464 0.889 0.611 CB 1.474 19 residues pruned to eliminate duplicates Z: 96 53.474 2.242 0.851 0.487 0.905 0.579 CB 1.480 96 residues pruned to eliminate duplicates Z: 20 19.325 2.150 0.906 0.399 0.789 0.737 CB 1.525 20 residues pruned to eliminate duplicates Z: 19 21.360 2.221 0.868 0.415 0.833 0.722 CB 1.591 19 residues pruned to eliminate duplicates Z: 19 20.674 2.146 0.989 0.456 0.889 0.722 CB 1.344 19 residues pruned to eliminate duplicates Z: 18 26.041 2.238 0.917 0.497 0.941 0.765 CB 1.569 18 residues pruned to eliminate duplicates Z: 20 26.265 2.146 0.956 0.454 0.947 0.842 CB 1.588 20 residues pruned to eliminate duplicates Z: 17 19.578 2.116 0.755 0.441 0.938 0.562 CB 1.494 17 residues pruned to eliminate duplicates Z: 17 19.807 2.258 0.825 0.411 0.812 0.812 CB 1.624 17 residues pruned to eliminate duplicates Z: 10 11.865 2.205 0.367 0.264 1.000 0.333 CB 1.719 10 residues pruned to eliminate duplicates Z: 45 27.732 2.046 0.824 0.442 0.841 0.523 CB 1.415 66 residues pruned to eliminate duplicates Z: 7 12.554 1.946 0.961 0.477 1.000 0.667 CB 1.375 Z: 6 4.263 1.501 0.699 0.370 1.000 0.400 CA 0.859 Z: 6 3.904 1.425 0.757 0.444 0.800 0.400 C 0.924 5 residues pruned to eliminate duplicates Z: 7 8.356 1.610 0.861 0.542 1.000 0.833 CA 1.093 5 residues pruned to eliminate duplicates Z: 8 6.432 1.588 0.641 0.338 1.000 0.286 CB 1.113 8 residues pruned to eliminate duplicates Z: 73 41.554 2.286 0.752 0.483 0.861 0.528 CB 1.445 73 residues pruned to eliminate duplicates Z: 11 7.372 1.795 0.800 0.311 0.800 0.300 CB 1.112 11 residues pruned to eliminate duplicates Z: 24 12.235 2.230 0.397 0.300 0.739 0.391 CB 1.384 27 residues pruned to eliminate duplicates Z: 7 6.243 1.739 0.775 0.325 0.833 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 12 14.145 2.250 0.419 0.384 1.000 0.636 CB 1.511 12 residues pruned to eliminate duplicates Z: 13 9.050 2.138 0.438 0.301 0.833 0.583 CB 1.273 13 residues pruned to eliminate duplicates Z: 18 15.519 2.102 0.566 0.386 0.882 0.529 CB 1.463 18 residues pruned to eliminate duplicates Z: 17 12.384 2.244 0.637 0.372 0.750 0.500 CB 1.289 17 residues pruned to eliminate duplicates Z: 12 11.668 2.258 0.597 0.342 0.909 0.636 CB 1.273 12 residues pruned to eliminate duplicates Z: 60 37.573 2.323 0.653 0.480 0.898 0.542 CB 1.447 60 residues pruned to eliminate duplicates Z: 12 7.203 2.196 0.350 0.236 0.818 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 16 15.212 2.281 0.685 0.369 0.867 0.533 CB 1.356 16 residues pruned to eliminate duplicates Z: 27 16.751 2.224 0.606 0.354 0.769 0.500 CB 1.400 28 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 101 B: 28 C: 9 D: 49 E: 7 F: 243 CC for partial structure against native data = 37.94 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.461, Connect. = 0.706 for dens.mod. cycle 1 = 0.301, Contrast = 0.527, Connect. = 0.734 for dens.mod. cycle 2 = 0.301, Contrast = 0.636, Connect. = 0.772 for dens.mod. cycle 3 = 0.301, Contrast = 0.639, Connect. = 0.774 for dens.mod. cycle 4 = 0.301, Contrast = 0.649, Connect. = 0.776 for dens.mod. cycle 5 = 0.301, Contrast = 0.651, Connect. = 0.778 for dens.mod. cycle 6 = 0.301, Contrast = 0.656, Connect. = 0.780 for dens.mod. cycle 7 = 0.301, Contrast = 0.657, Connect. = 0.781 for dens.mod. cycle 8 = 0.301, Contrast = 0.659, Connect. = 0.783 for dens.mod. cycle 9 = 0.301, Contrast = 0.659, Connect. = 0.784 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.90 - 3.08 - 2.69 - 2.44 - 2.26 - 2.13 - 2.02 - 1.93 - 1.84 - 1.76 0.704 0.720 0.689 0.682 0.685 0.697 0.708 0.697 0.611 0.550 0.876 0.876 0.848 0.839 0.831 0.836 0.848 0.841 0.750 0.665 N 5626 5686 5611 5660 5758 5461 5750 5437 5791 5445 Estimated mean FOM = 0.674 Pseudo-free CC = 69.56 % Best trace (cycle 1 with CC 39.73%) was saved as ./2o62-1.8-parrot-mrncs/2o62-1.8-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 6.8 - FFTs and peak-searches 13.3 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1460.7 - Tripeptide search 11941.7 - Chain tracing 0.0 - NCS analysis 41.3 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:07:44 Total time: 13465.01 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 225.55 Used memory is bytes: 24094464