null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:56:45 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: ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.ins Phases from ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.phi Native data from ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.hkl Listing output to ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.lst Phases output to ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2ogi-1.9-parrot-mrncs/2ogi-1.9-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 1 21 1 Allowed origin shift code: 2 37459 Reflections read from file ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.phi 37459 Reflections read from file ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.hkl 37459 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000095h^2 -0.000199k^2 +0.000139l^2 +0.000000kl +0.000196hl +0.000000hk 11 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.643 ** -f missing ?? ** = 0.300, Contrast = 0.463, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.543, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.661, Connect. = 0.791 for dens.mod. cycle 3 = 0.300, Contrast = 0.692, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.714, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.727, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.736, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 0.742, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 0.747, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 0.750, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1662 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 423 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 60.797 2.464 1.314 0.954 0.947 0.895 CA 1.775 B: 21 66.313 2.435 1.395 0.927 0.950 0.800 CA 1.876 20 residues pruned to eliminate duplicates C: 21 65.343 2.434 1.388 0.929 0.950 0.800 CA 1.852 21 residues pruned to eliminate duplicates D: 21 68.073 2.423 1.493 0.926 0.950 0.500 CA 1.861 21 residues pruned to eliminate duplicates E: 20 68.576 2.448 1.373 0.935 1.000 0.789 CB 1.887 20 residues pruned to eliminate duplicates F: 20 65.564 2.433 1.362 0.923 1.000 0.842 CA 1.840 21 residues pruned to eliminate duplicates G: 15 25.746 2.039 0.750 0.895 0.929 0.857 CB 1.489 H: 12 27.336 2.265 0.822 0.873 0.909 0.727 CB 1.601 I: 21 60.680 2.424 1.197 0.936 1.000 0.800 CA 1.774 21 residues pruned to eliminate duplicates J: 15 29.586 2.276 0.608 0.878 1.000 0.714 CB 1.568 12 residues pruned to eliminate duplicates K: 21 58.110 2.398 1.236 0.908 0.950 0.700 CA 1.813 21 residues pruned to eliminate duplicates L: 22 51.188 2.305 1.246 0.858 0.952 0.667 CA 1.669 22 residues pruned to eliminate duplicates M: 24 44.295 2.099 1.240 0.932 1.000 0.609 CB 1.372 N: 21 62.321 2.425 1.337 0.922 0.950 0.700 CA 1.820 21 residues pruned to eliminate duplicates O: 22 50.375 2.208 1.148 0.914 1.000 0.524 CB 1.639 P: 14 28.522 2.135 0.748 0.859 0.923 0.769 CA 1.690 Q: 22 45.687 2.208 0.991 0.943 0.952 0.667 CB 1.650 22 residues pruned to eliminate duplicates R: 21 42.815 2.248 0.903 0.895 0.950 0.850 CA 1.689 21 residues pruned to eliminate duplicates S: 23 41.455 2.110 1.343 0.918 0.955 0.591 CB 1.321 23 residues pruned to eliminate duplicates T: 21 59.802 2.414 1.235 0.922 1.000 0.850 CA 1.742 21 residues pruned to eliminate duplicates U: 14 45.165 2.338 1.400 0.918 1.000 0.923 CA 1.574 V: 20 60.981 2.411 1.265 0.909 1.000 0.789 CA 1.819 20 residues pruned to eliminate duplicates W: 6 9.945 1.897 0.791 0.698 1.000 0.600 CA 1.093 X: 22 50.072 2.200 1.144 0.938 1.000 0.810 CB 1.610 22 residues pruned to eliminate duplicates Y: 15 27.436 2.177 0.673 0.860 0.929 0.571 CB 1.595 13 residues pruned to eliminate duplicates Z: 15 25.681 1.998 0.689 0.872 0.929 0.714 CB 1.597 15 residues pruned to eliminate duplicates Z: 12 23.263 2.034 0.712 0.896 0.909 0.727 CA 1.587 11 residues pruned to eliminate duplicates Z: 13 23.269 2.104 0.582 0.846 0.917 0.500 CB 1.636 14 residues pruned to eliminate duplicates Z: 20 36.859 2.267 0.550 0.920 1.000 0.789 CA 1.694 20 residues pruned to eliminate duplicates Z: 21 39.448 2.212 0.858 0.910 0.950 0.800 CB 1.602 21 residues pruned to eliminate duplicates Z: 19 72.621 2.480 1.551 0.957 1.000 0.556 CA 1.858 19 residues pruned to eliminate duplicates Z: 16 25.093 2.099 0.507 0.832 1.000 0.533 CA 1.538 14 residues pruned to eliminate duplicates Z: 22 45.949 2.220 1.104 0.892 0.952 0.762 CA 1.619 22 residues pruned to eliminate duplicates Z: 15 25.720 1.982 0.790 0.883 1.000 0.643 CA 1.401 15 residues pruned to eliminate duplicates Z: 13 27.420 2.067 0.686 0.888 1.000 0.833 CA 1.637 13 residues pruned to eliminate duplicates Z: 14 45.777 2.388 1.380 0.895 1.000 0.615 CA 1.601 14 residues pruned to eliminate duplicates Z: 21 59.517 2.390 1.434 0.885 0.950 0.750 CA 1.739 21 residues pruned to eliminate duplicates Z: 16 23.413 2.120 0.608 0.873 0.867 0.800 CB 1.490 16 residues pruned to eliminate duplicates Z: 16 19.870 2.026 0.651 0.833 0.867 0.600 CB 1.328 16 residues pruned to eliminate duplicates Z: 15 32.499 2.260 0.910 0.838 0.929 0.643 CB 1.619 15 residues pruned to eliminate duplicates Z: 16 20.675 2.163 0.312 0.888 0.933 0.733 CB 1.452 16 residues pruned to eliminate duplicates Z: 22 32.541 2.188 0.571 0.948 1.000 0.857 CB 1.427 23 residues pruned to eliminate duplicates Z: 13 22.139 2.055 0.446 0.896 0.917 0.750 O 1.681 13 residues pruned to eliminate duplicates Z: 16 30.841 2.251 0.917 0.821 0.933 0.400 CA 1.496 16 residues pruned to eliminate duplicates Z: 21 53.899 2.287 1.127 0.943 1.000 0.650 CA 1.717 22 residues pruned to eliminate duplicates Z: 19 20.558 2.069 0.526 0.718 0.889 0.611 CB 1.418 Z: 21 47.558 2.274 1.387 0.892 0.900 0.500 CB 1.564 21 residues pruned to eliminate duplicates Z: 16 30.266 2.121 0.718 0.881 1.000 0.867 CB 1.554 16 residues pruned to eliminate duplicates Z: 21 47.827 2.262 1.100 0.922 0.950 0.800 CB 1.667 21 residues pruned to eliminate duplicates Z: 21 65.744 2.401 1.471 0.924 0.950 0.600 CA 1.832 21 residues pruned to eliminate duplicates Z: 21 58.120 2.291 1.277 0.953 1.000 0.500 CB 1.715 21 residues pruned to eliminate duplicates Z: 13 22.199 1.885 0.956 0.779 1.000 0.667 CB 1.359 13 residues pruned to eliminate duplicates Z: 21 46.087 2.254 1.116 0.890 0.950 0.750 CB 1.636 21 residues pruned to eliminate duplicates Z: 16 21.748 2.067 0.524 0.877 0.800 0.467 CB 1.619 16 residues pruned to eliminate duplicates Z: 14 21.300 2.130 0.545 0.921 1.000 0.846 CB 1.263 14 residues pruned to eliminate duplicates Z: 22 36.262 2.162 0.740 0.890 0.952 0.857 CA 1.588 22 residues pruned to eliminate duplicates Z: 17 21.195 1.963 0.651 0.856 0.875 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 11 38.013 2.377 1.401 0.932 0.900 0.800 CA 1.635 11 residues pruned to eliminate duplicates Z: 14 30.146 2.136 1.093 0.883 0.923 0.846 CA 1.465 14 residues pruned to eliminate duplicates Z: 15 28.880 2.099 0.962 0.859 0.929 0.429 CB 1.485 15 residues pruned to eliminate duplicates Z: 18 27.134 1.953 0.903 0.851 0.941 0.706 CB 1.393 16 residues pruned to eliminate duplicates Z: 18 18.824 2.079 0.562 0.663 0.824 0.706 CB 1.467 18 residues pruned to eliminate duplicates Z: 22 43.670 2.183 1.158 0.854 0.952 0.619 CB 1.568 22 residues pruned to eliminate duplicates Z: 11 38.969 2.400 1.483 0.907 0.900 0.700 CB 1.633 11 residues pruned to eliminate duplicates Z: 14 27.759 2.250 0.680 0.898 0.923 0.615 CB 1.579 14 residues pruned to eliminate duplicates Z: 16 32.685 2.131 1.007 0.889 0.933 0.733 CB 1.522 16 residues pruned to eliminate duplicates Z: 22 44.218 2.233 1.072 0.935 1.000 0.714 CB 1.453 22 residues pruned to eliminate duplicates Z: 22 44.085 2.224 1.127 0.933 1.000 0.619 CB 1.418 22 residues pruned to eliminate duplicates Z: 16 37.229 2.232 1.201 0.836 1.000 0.867 CB 1.464 16 residues pruned to eliminate duplicates Z: 14 20.700 2.187 0.447 0.854 0.923 0.846 CA 1.452 Z: 10 14.030 1.892 0.482 0.912 1.000 0.889 CB 1.181 Z: 22 40.204 2.216 0.885 0.894 0.952 0.810 CA 1.581 22 residues pruned to eliminate duplicates Z: 7 11.400 1.785 0.403 0.856 1.000 0.667 CB 1.371 Z: 21 45.266 2.263 1.111 0.878 0.950 0.450 CB 1.618 21 residues pruned to eliminate duplicates Z: 12 28.287 2.157 0.667 0.880 1.000 0.818 CB 1.718 12 residues pruned to eliminate duplicates Z: 20 65.806 2.464 1.466 0.919 0.947 0.421 CB 1.849 20 residues pruned to eliminate duplicates Z: 18 21.987 2.029 0.703 0.693 0.941 0.647 CB 1.374 18 residues pruned to eliminate duplicates Z: 12 19.982 2.163 0.469 0.914 1.000 0.909 CB 1.341 11 residues pruned to eliminate duplicates Z: 17 26.750 2.125 1.003 0.836 0.875 0.688 CB 1.344 17 residues pruned to eliminate duplicates Z: 17 21.455 2.076 0.718 0.710 0.875 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 18 30.479 1.978 1.015 0.893 0.941 0.765 CB 1.415 17 residues pruned to eliminate duplicates Z: 12 23.709 2.076 0.744 0.802 1.000 0.727 CB 1.516 Z: 23 38.595 2.140 1.020 0.906 1.000 0.636 CB 1.354 23 residues pruned to eliminate duplicates Z: 17 16.429 1.903 0.430 0.841 0.875 0.562 CB 1.286 Z: 13 22.759 1.975 0.823 0.847 1.000 0.917 CB 1.354 Z: 14 24.285 2.072 0.637 0.843 1.000 0.385 CB 1.479 12 residues pruned to eliminate duplicates Z: 20 46.188 2.284 0.865 0.929 1.000 0.789 CA 1.742 20 residues pruned to eliminate duplicates Z: 65 44.269 1.987 0.800 0.740 0.953 0.656 CB 1.309 42 residues pruned to eliminate duplicates Z: 22 37.949 2.084 1.089 0.939 1.000 0.667 CB 1.322 22 residues pruned to eliminate duplicates Z: 13 13.580 1.899 0.413 0.808 0.833 0.750 CB 1.341 13 residues pruned to eliminate duplicates Z: 16 20.784 1.982 0.611 0.823 1.000 0.800 CB 1.270 17 residues pruned to eliminate duplicates Z: 23 38.120 2.089 1.180 0.894 1.000 0.636 CB 1.280 23 residues pruned to eliminate duplicates Z: 15 22.577 1.978 0.706 0.826 1.000 0.643 CB 1.348 15 residues pruned to eliminate duplicates Z: 22 21.143 2.069 0.723 0.628 0.905 0.667 CB 1.267 15 residues pruned to eliminate duplicates Z: 14 24.025 2.081 0.545 0.813 1.000 0.769 CB 1.579 14 residues pruned to eliminate duplicates Z: 15 37.439 2.279 1.407 0.868 0.857 0.643 CA 1.556 15 residues pruned to eliminate duplicates Z: 16 28.445 2.142 0.800 0.879 0.933 0.533 CB 1.479 16 residues pruned to eliminate duplicates Z: 10 16.519 1.892 0.630 0.928 1.000 0.889 CB 1.250 10 residues pruned to eliminate duplicates Z: 16 13.002 1.921 0.424 0.682 0.867 0.667 CB 1.198 Z: 23 38.498 2.160 1.122 0.898 0.955 0.591 CB 1.342 23 residues pruned to eliminate duplicates Z: 12 19.697 1.954 0.670 0.831 1.000 0.818 CB 1.367 12 residues pruned to eliminate duplicates Z: 14 29.482 2.221 1.008 0.869 0.923 0.769 CB 1.450 18 residues pruned to eliminate duplicates Z: 12 31.275 2.234 1.335 0.913 0.909 0.727 CB 1.407 18 residues pruned to eliminate duplicates Z: 14 38.852 2.157 1.583 0.914 1.000 0.231 CB 1.367 14 residues pruned to eliminate duplicates Z: 17 23.228 2.018 0.472 0.949 1.000 0.875 CB 1.349 17 residues pruned to eliminate duplicates Z: 14 18.877 2.114 0.786 0.882 0.846 0.615 CB 1.187 14 residues pruned to eliminate duplicates Z: 22 26.429 1.910 0.734 0.925 0.952 0.619 CB 1.283 Z: 12 32.349 2.328 1.022 0.864 0.909 0.636 CB 1.671 13 residues pruned to eliminate duplicates Z: 38 58.577 2.298 1.058 0.849 0.919 0.703 CB 1.643 36 residues pruned to eliminate duplicates Z: 7 8.246 1.553 0.228 0.856 1.000 0.833 CA 1.303 7 residues pruned to eliminate duplicates Z: 14 25.328 2.072 0.660 0.834 1.000 0.692 CB 1.532 14 residues pruned to eliminate duplicates Z: 14 19.444 1.920 0.464 0.818 1.000 0.769 CB 1.455 13 residues pruned to eliminate duplicates Z: 16 24.440 2.020 0.993 0.864 0.933 0.600 CB 1.231 16 residues pruned to eliminate duplicates Z: 20 46.259 2.331 0.788 0.938 1.000 0.947 CA 1.771 20 residues pruned to eliminate duplicates Z: 14 22.108 2.083 0.578 0.802 0.923 0.615 CB 1.552 14 residues pruned to eliminate duplicates Z: 24 27.556 2.073 0.512 0.885 0.957 0.913 CA 1.384 24 residues pruned to eliminate duplicates Z: 15 32.436 2.120 1.299 0.864 0.929 0.429 CB 1.404 12 residues pruned to eliminate duplicates Z: 15 25.053 2.145 0.846 0.873 0.929 0.643 CA 1.327 15 residues pruned to eliminate duplicates Z: 22 27.707 2.124 0.422 0.935 1.000 0.762 CB 1.395 22 residues pruned to eliminate duplicates Z: 23 32.673 2.111 0.964 0.890 0.955 0.591 CB 1.266 23 residues pruned to eliminate duplicates Z: 10 13.028 1.774 0.472 0.889 0.889 0.778 CB 1.347 10 residues pruned to eliminate duplicates Z: 16 27.357 2.127 0.816 0.917 0.867 0.733 CB 1.489 16 residues pruned to eliminate duplicates Z: 22 49.941 2.200 1.366 0.950 1.000 0.571 CB 1.443 22 residues pruned to eliminate duplicates Z: 8 5.040 1.596 0.070 0.754 0.857 0.429 CB 1.038 8 residues pruned to eliminate duplicates Z: 11 10.859 1.725 0.389 0.916 0.900 0.400 CB 1.125 11 residues pruned to eliminate duplicates Z: 18 19.781 1.858 0.598 0.852 0.941 0.471 CB 1.269 17 residues pruned to eliminate duplicates Z: 15 20.687 1.942 0.444 0.833 1.000 0.786 CB 1.478 15 residues pruned to eliminate duplicates Z: 15 29.134 2.170 0.642 0.860 1.000 0.786 CA 1.607 16 residues pruned to eliminate duplicates Z: 8 10.713 2.009 0.548 0.767 0.857 0.714 CB 1.200 7 residues pruned to eliminate duplicates Z: 12 14.019 1.629 0.695 0.899 1.000 0.818 CB 1.095 12 residues pruned to eliminate duplicates Z: 14 23.601 2.057 0.657 0.822 0.923 0.692 CA 1.574 14 residues pruned to eliminate duplicates Z: 21 25.623 1.920 0.827 0.931 0.950 0.600 CB 1.201 21 residues pruned to eliminate duplicates Z: 21 45.537 2.206 1.230 0.910 0.950 0.400 CB 1.546 21 residues pruned to eliminate duplicates Z: 22 23.542 1.897 0.568 0.916 1.000 0.857 CB 1.219 21 residues pruned to eliminate duplicates Z: 15 21.837 2.045 0.690 0.840 0.929 0.786 CB 1.356 15 residues pruned to eliminate duplicates Z: 15 25.111 2.109 1.092 0.848 0.786 0.643 CA 1.436 15 residues pruned to eliminate duplicates Z: 23 31.306 2.089 0.836 0.907 0.955 0.591 CB 1.296 23 residues pruned to eliminate duplicates Z: 6 6.929 1.510 0.650 0.714 0.800 0.800 CA 1.281 5 residues pruned to eliminate duplicates Z: 15 17.434 2.037 0.378 0.840 0.929 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 12 31.134 2.338 0.738 0.817 1.000 0.636 CA 1.755 12 residues pruned to eliminate duplicates Z: 11 14.142 1.746 0.508 0.849 1.000 0.700 CB 1.260 11 residues pruned to eliminate duplicates Z: 19 14.927 1.819 0.303 0.774 0.944 0.500 CB 1.235 Z: 21 18.499 1.840 0.515 0.879 0.950 0.750 CB 1.133 21 residues pruned to eliminate duplicates Z: 10 15.829 1.773 0.665 0.900 1.000 0.889 CB 1.277 10 residues pruned to eliminate duplicates Z: 21 32.476 2.212 1.120 0.637 0.950 0.700 CB 1.434 15 residues pruned to eliminate duplicates Z: 20 26.424 1.943 0.800 0.947 1.000 0.526 CB 1.198 20 residues pruned to eliminate duplicates Z: 22 41.375 2.149 1.191 0.931 1.000 0.619 CB 1.340 22 residues pruned to eliminate duplicates Z: 13 18.710 1.978 0.512 0.846 0.917 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 22 31.722 1.908 1.109 0.929 1.000 0.476 CB 1.205 23 residues pruned to eliminate duplicates Z: 11 16.283 1.936 0.647 0.893 0.900 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 20 35.937 2.254 0.572 0.907 1.000 1.000 CB 1.653 20 residues pruned to eliminate duplicates Z: 18 20.059 1.930 0.491 0.833 0.941 0.588 CB 1.347 18 residues pruned to eliminate duplicates Z: 16 16.499 1.903 0.788 0.709 0.867 0.600 CB 1.194 16 residues pruned to eliminate duplicates Z: 11 12.842 1.952 0.354 0.890 0.900 0.900 CB 1.229 11 residues pruned to eliminate duplicates Z: 18 24.409 1.990 0.710 0.881 0.941 0.824 CB 1.339 17 residues pruned to eliminate duplicates Z: 19 62.792 2.457 1.552 0.950 0.889 0.500 CB 1.832 19 residues pruned to eliminate duplicates Z: 21 28.739 1.923 0.943 0.949 1.000 0.800 CB 1.187 21 residues pruned to eliminate duplicates Z: 17 21.399 1.955 0.699 0.785 0.938 0.500 CB 1.337 18 residues pruned to eliminate duplicates Z: 12 28.900 2.230 0.937 0.839 0.909 0.455 CA 1.657 12 residues pruned to eliminate duplicates Z: 11 12.954 1.739 0.597 0.802 0.900 0.600 CB 1.258 11 residues pruned to eliminate duplicates Z: 21 59.264 2.352 1.260 0.947 1.000 0.900 CA 1.723 21 residues pruned to eliminate duplicates Z: 11 11.761 1.844 0.556 0.794 0.900 0.800 CB 1.113 11 residues pruned to eliminate duplicates Z: 20 57.982 2.434 1.363 0.944 0.947 0.368 CB 1.691 20 residues pruned to eliminate duplicates Z: 8 9.142 1.622 0.480 0.858 1.000 0.429 CB 1.060 8 residues pruned to eliminate duplicates Z: 18 24.257 2.107 0.501 0.766 1.000 0.824 CB 1.470 18 residues pruned to eliminate duplicates Z: 18 18.322 2.024 0.602 0.751 0.824 0.647 CB 1.330 18 residues pruned to eliminate duplicates Z: 16 27.791 2.217 0.584 0.839 0.933 0.667 CB 1.635 16 residues pruned to eliminate duplicates Z: 6 7.867 1.886 0.404 0.788 0.800 0.400 CB 1.290 6 residues pruned to eliminate duplicates Z: 12 14.070 1.645 0.596 0.894 1.000 0.818 CB 1.159 12 residues pruned to eliminate duplicates Z: 18 18.867 1.911 0.817 0.783 0.882 0.647 CB 1.165 19 residues pruned to eliminate duplicates Z: 39 46.508 2.204 0.977 0.730 0.842 0.474 CB 1.673 37 residues pruned to eliminate duplicates Z: 15 17.714 1.844 0.546 0.800 1.000 0.571 CB 1.278 15 residues pruned to eliminate duplicates Z: 18 14.566 1.873 0.201 0.789 0.941 0.765 CB 1.294 18 residues pruned to eliminate duplicates Z: 13 16.565 1.980 0.334 0.780 1.000 0.833 CB 1.414 13 residues pruned to eliminate duplicates Z: 14 32.671 2.186 1.223 0.897 0.923 0.692 CB 1.446 14 residues pruned to eliminate duplicates Z: 13 19.598 1.967 0.621 0.826 0.917 0.750 CB 1.459 13 residues pruned to eliminate duplicates Z: 10 9.661 1.709 0.217 0.908 1.000 0.778 CB 1.099 Z: 22 27.733 1.921 1.016 0.937 0.952 0.333 CB 1.141 21 residues pruned to eliminate duplicates Z: 13 23.775 1.904 1.048 0.897 1.000 0.833 CB 1.260 13 residues pruned to eliminate duplicates Z: 18 17.336 1.881 0.424 0.824 0.941 0.824 CB 1.260 18 residues pruned to eliminate duplicates Z: 12 15.898 2.094 0.610 0.854 0.909 0.818 CB 1.155 12 residues pruned to eliminate duplicates Z: 47 62.213 2.314 1.126 0.780 0.891 0.478 CB 1.634 47 residues pruned to eliminate duplicates Z: 11 9.449 1.672 0.162 0.894 1.000 0.900 CB 1.103 11 residues pruned to eliminate duplicates Z: 42 36.819 2.065 0.895 0.706 0.878 0.537 CB 1.388 42 residues pruned to eliminate duplicates Z: 31 21.522 1.788 0.634 0.666 0.933 0.733 CB 1.235 26 residues pruned to eliminate duplicates Z: 21 59.725 2.421 1.267 0.903 0.950 0.700 CA 1.826 21 residues pruned to eliminate duplicates Z: 14 20.494 1.984 0.441 0.817 1.000 0.769 CB 1.510 15 residues pruned to eliminate duplicates Z: 18 22.469 1.936 0.747 0.826 0.882 0.529 CB 1.377 18 residues pruned to eliminate duplicates Z: 54 71.473 2.303 0.960 0.762 0.981 0.755 CB 1.757 56 residues pruned to eliminate duplicates Z: 6 2.158 1.469 0.185 0.669 0.600 0.600 CB 0.790 Z: 12 16.560 1.830 0.598 0.850 1.000 0.727 CB 1.265 12 residues pruned to eliminate duplicates Z: 11 10.587 1.634 0.381 0.896 1.000 0.900 CB 1.063 11 residues pruned to eliminate duplicates Z: 88 81.803 2.305 1.028 0.707 0.931 0.655 CB 1.669 92 residues pruned to eliminate duplicates Z: 17 16.101 1.844 0.590 0.722 1.000 0.750 CB 1.123 17 residues pruned to eliminate duplicates Z: 16 31.446 2.125 1.198 0.775 0.933 0.733 CA 1.461 16 residues pruned to eliminate duplicates Z: 13 25.509 2.092 0.786 0.811 1.000 0.583 CB 1.503 13 residues pruned to eliminate duplicates Z: 13 21.530 2.034 0.482 0.846 1.000 0.917 CB 1.532 13 residues pruned to eliminate duplicates Z: 11 14.969 1.748 0.588 0.926 1.000 0.900 CB 1.196 11 residues pruned to eliminate duplicates Z: 17 33.474 2.097 1.261 0.934 0.938 0.375 CB 1.313 17 residues pruned to eliminate duplicates Z: 21 22.343 1.921 0.762 0.942 0.900 0.850 CB 1.138 21 residues pruned to eliminate duplicates Z: 21 23.910 1.905 0.577 0.924 1.000 0.700 CB 1.250 21 residues pruned to eliminate duplicates Z: 23 36.223 2.070 1.115 0.913 1.000 0.227 CB 1.249 23 residues pruned to eliminate duplicates Z: 8 10.707 1.919 0.732 0.847 0.714 0.714 CB 1.266 Z: 12 15.291 1.616 0.778 0.905 1.000 0.909 CB 1.141 12 residues pruned to eliminate duplicates Z: 15 13.287 1.856 0.420 0.776 0.929 0.643 CB 1.137 14 residues pruned to eliminate duplicates Z: 23 30.586 1.861 1.029 0.922 1.000 0.727 CB 1.214 23 residues pruned to eliminate duplicates Z: 37 55.494 2.311 1.162 0.752 0.889 0.611 CB 1.664 37 residues pruned to eliminate duplicates Z: 19 18.134 1.955 0.493 0.732 0.889 0.778 CB 1.337 19 residues pruned to eliminate duplicates Z: 10 12.777 1.749 0.480 0.903 1.000 0.889 CB 1.173 10 residues pruned to eliminate duplicates Z: 9 12.599 1.683 0.556 0.898 1.000 0.750 CB 1.216 8 residues pruned to eliminate duplicates Z: 12 23.778 2.196 0.791 0.844 0.909 0.455 CB 1.492 12 residues pruned to eliminate duplicates Z: 17 27.822 1.985 0.888 0.856 0.938 0.812 CB 1.460 15 residues pruned to eliminate duplicates Z: 20 23.923 1.950 0.997 0.941 0.842 0.526 CB 1.161 20 residues pruned to eliminate duplicates Z: 48 53.537 2.185 0.963 0.784 0.915 0.511 CB 1.550 48 residues pruned to eliminate duplicates Z: 8 13.862 2.109 0.595 0.771 1.000 0.286 CB 1.226 8 residues pruned to eliminate duplicates Z: 13 16.210 1.863 0.540 0.834 1.000 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 16 14.601 1.817 0.557 0.822 0.867 0.467 CB 1.163 16 residues pruned to eliminate duplicates Z: 22 25.158 1.921 0.657 0.919 1.000 0.762 CB 1.216 22 residues pruned to eliminate duplicates Z: 15 37.758 2.171 1.210 0.908 0.929 0.857 CB 1.608 15 residues pruned to eliminate duplicates Z: 65 39.086 1.950 0.772 0.715 0.922 0.562 CB 1.262 65 residues pruned to eliminate duplicates Z: 6 6.156 1.622 0.525 0.722 0.800 0.400 CB 1.138 6 residues pruned to eliminate duplicates Z: 45 21.567 1.792 0.543 0.614 0.886 0.727 CB 1.191 42 residues pruned to eliminate duplicates Z: 10 12.103 1.827 0.122 0.900 1.000 0.889 CA 1.406 10 residues pruned to eliminate duplicates Z: 18 25.996 1.982 0.754 0.836 1.000 0.882 CB 1.357 18 residues pruned to eliminate duplicates Z: 11 13.473 1.958 0.636 0.771 0.800 0.200 CB 1.308 11 residues pruned to eliminate duplicates Z: 11 9.944 1.789 0.296 0.885 0.900 0.700 CB 1.088 11 residues pruned to eliminate duplicates Z: 18 23.138 1.919 0.615 0.873 1.000 0.647 CB 1.319 18 residues pruned to eliminate duplicates Z: 17 14.196 1.894 0.515 0.711 0.875 0.812 CB 1.167 17 residues pruned to eliminate duplicates Z: 11 12.924 1.626 0.685 0.882 1.000 0.600 CB 1.080 11 residues pruned to eliminate duplicates Z: 10 12.714 1.714 0.448 0.916 1.000 1.000 CB 1.206 10 residues pruned to eliminate duplicates Z: 18 21.200 1.923 0.858 0.904 0.882 0.412 CB 1.162 18 residues pruned to eliminate duplicates Z: 13 16.346 1.619 0.666 0.910 1.000 0.833 CB 1.241 10 residues pruned to eliminate duplicates Z: 17 12.384 1.850 0.348 0.651 0.938 0.500 CB 1.151 17 residues pruned to eliminate duplicates Z: 10 31.908 2.284 1.025 0.916 1.000 0.667 CB 1.623 10 residues pruned to eliminate duplicates Z: 10 13.841 1.710 0.544 0.914 1.000 0.889 CB 1.236 10 residues pruned to eliminate duplicates Z: 22 32.437 2.179 0.551 0.926 1.000 0.952 CB 1.468 22 residues pruned to eliminate duplicates Z: 13 20.303 1.920 0.686 0.905 0.917 0.833 CA 1.406 13 residues pruned to eliminate duplicates Z: 14 13.152 1.597 0.646 0.875 0.923 0.692 CB 1.093 14 residues pruned to eliminate duplicates Z: 21 16.567 1.810 0.369 0.882 0.950 0.900 CB 1.139 21 residues pruned to eliminate duplicates Z: 38 43.035 2.127 0.879 0.729 0.919 0.730 CB 1.568 38 residues pruned to eliminate duplicates Z: 21 32.280 1.928 1.123 0.934 1.000 0.600 CB 1.230 21 residues pruned to eliminate duplicates Z: 14 24.735 2.065 0.557 0.830 1.000 0.846 CA 1.604 14 residues pruned to eliminate duplicates Z: 14 12.338 1.591 0.627 0.828 0.846 0.692 CB 1.176 13 residues pruned to eliminate duplicates Z: 17 20.734 1.983 0.592 0.807 0.938 0.500 CB 1.341 17 residues pruned to eliminate duplicates Z: 19 51.612 2.440 1.139 0.905 0.944 0.722 CA 1.757 19 residues pruned to eliminate duplicates Z: 12 12.817 1.647 0.658 0.883 0.909 0.636 CB 1.126 12 residues pruned to eliminate duplicates Z: 9 8.652 1.638 0.339 0.859 1.000 0.500 CB 1.026 9 residues pruned to eliminate duplicates Z: 12 13.683 1.564 0.581 0.912 1.000 0.909 CB 1.181 12 residues pruned to eliminate duplicates Z: 21 20.853 1.881 0.457 0.919 1.000 0.900 CB 1.198 21 residues pruned to eliminate duplicates Z: 21 29.555 1.962 0.907 0.930 1.000 0.850 CB 1.235 21 residues pruned to eliminate duplicates Z: 6 7.969 1.625 0.783 0.729 0.800 0.400 O 1.251 6 residues pruned to eliminate duplicates Z: 7 11.919 1.808 0.393 0.829 1.000 0.667 CB 1.453 7 residues pruned to eliminate duplicates Z: 14 25.036 2.260 0.568 0.814 1.000 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 11 13.605 1.635 0.595 0.908 1.000 1.000 CB 1.171 11 residues pruned to eliminate duplicates Z: 13 25.958 2.216 0.659 0.883 0.917 0.750 CB 1.608 13 residues pruned to eliminate duplicates Z: 13 11.085 1.581 0.426 0.869 1.000 0.750 CB 1.037 13 residues pruned to eliminate duplicates Z: 13 16.783 1.600 0.967 0.913 1.000 0.750 CB 1.089 12 residues pruned to eliminate duplicates Z: 19 15.701 1.805 0.306 0.932 1.000 0.778 CB 1.096 19 residues pruned to eliminate duplicates Z: 11 14.445 1.724 0.891 0.906 0.900 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 12 13.340 1.841 0.572 0.803 0.909 0.727 CB 1.173 12 residues pruned to eliminate duplicates Z: 12 11.691 1.483 0.341 0.891 1.000 0.909 CB 1.275 12 residues pruned to eliminate duplicates Z: 7 8.003 2.097 0.408 0.303 0.833 0.500 CB 1.654 7 residues pruned to eliminate duplicates Z: 9 13.380 1.807 0.615 0.914 1.000 1.000 CB 1.146 9 residues pruned to eliminate duplicates Z: 12 21.067 2.028 0.794 0.889 0.909 0.545 CB 1.383 12 residues pruned to eliminate duplicates Z: 6 2.218 1.611 0.135 0.294 0.800 0.800 CA 0.855 Z: 9 10.545 1.792 0.322 0.893 1.000 0.625 CB 1.130 9 residues pruned to eliminate duplicates Z: 9 12.143 1.824 0.438 0.863 1.000 0.750 CB 1.201 9 residues pruned to eliminate duplicates Z: 16 15.391 1.750 0.604 0.819 0.933 0.667 CB 1.150 16 residues pruned to eliminate duplicates Z: 15 11.921 1.741 0.553 0.779 0.929 0.714 CB 0.992 15 residues pruned to eliminate duplicates Z: 24 31.187 2.071 0.648 0.909 1.000 0.913 CB 1.352 24 residues pruned to eliminate duplicates Z: 17 16.073 1.947 0.412 0.773 0.812 0.688 CB 1.414 17 residues pruned to eliminate duplicates Z: 10 8.695 1.614 0.220 0.920 1.000 1.000 CB 1.036 10 residues pruned to eliminate duplicates Z: 59 70.127 2.362 0.983 0.683 0.948 0.707 CB 1.752 59 residues pruned to eliminate duplicates Z: 13 26.596 2.045 0.993 0.915 1.000 0.833 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 14.675 1.685 0.819 0.924 1.000 0.636 CB 1.013 12 residues pruned to eliminate duplicates Z: 46 66.244 2.343 0.923 0.767 0.978 0.733 CB 1.768 46 residues pruned to eliminate duplicates Z: 12 26.956 2.244 0.785 0.878 0.909 0.545 CB 1.620 12 residues pruned to eliminate duplicates Z: 14 31.218 2.250 0.736 0.859 1.000 0.692 CB 1.631 16 residues pruned to eliminate duplicates Z: 22 35.508 1.923 1.281 0.944 1.000 0.381 CB 1.223 28 residues pruned to eliminate duplicates Z: 71 62.954 2.268 0.879 0.701 0.914 0.743 CB 1.608 71 residues pruned to eliminate duplicates Z: 10 12.902 1.801 0.612 0.862 1.000 0.889 CB 1.088 10 residues pruned to eliminate duplicates Z: 17 15.056 1.806 0.371 0.740 1.000 0.812 CB 1.226 17 residues pruned to eliminate duplicates Z: 42 64.616 2.296 1.017 0.795 0.976 0.805 CB 1.725 42 residues pruned to eliminate duplicates Z: 11 12.232 1.673 0.563 0.896 1.000 0.500 CB 1.059 11 residues pruned to eliminate duplicates Z: 52 33.683 2.027 0.751 0.585 0.922 0.647 CB 1.330 50 residues pruned to eliminate duplicates Z: 21 54.871 2.322 1.318 0.887 1.000 0.500 CB 1.643 21 residues pruned to eliminate duplicates Z: 16 11.720 1.860 0.474 0.653 0.933 0.533 CB 1.025 16 residues pruned to eliminate duplicates Z: 33 28.593 1.924 0.948 0.775 0.875 0.438 CB 1.208 33 residues pruned to eliminate duplicates Z: 18 15.523 1.922 0.233 0.753 0.941 0.765 CB 1.347 18 residues pruned to eliminate duplicates Z: 14 12.939 1.890 0.345 0.703 1.000 0.692 CB 1.174 14 residues pruned to eliminate duplicates Z: 63 37.384 2.021 0.720 0.615 0.903 0.597 CB 1.357 63 residues pruned to eliminate duplicates Z: 13 20.191 1.918 0.649 0.846 1.000 0.833 CA 1.369 13 residues pruned to eliminate duplicates Z: 6 7.786 1.847 0.117 0.854 1.000 0.400 CB 1.246 6 residues pruned to eliminate duplicates Z: 12 13.169 1.616 0.589 0.876 1.000 0.818 CB 1.124 12 residues pruned to eliminate duplicates Z: 10 10.601 1.682 0.160 0.862 1.000 0.778 CA 1.330 10 residues pruned to eliminate duplicates Z: 12 12.749 1.653 0.292 0.804 1.000 0.727 CA 1.380 12 residues pruned to eliminate duplicates Z: 12 16.677 1.670 0.805 0.898 1.000 0.818 CB 1.193 12 residues pruned to eliminate duplicates Z: 33 38.731 2.116 0.876 0.777 0.938 0.531 CB 1.441 35 residues pruned to eliminate duplicates Z: 16 14.122 1.895 0.726 0.633 0.800 0.667 CB 1.230 16 residues pruned to eliminate duplicates Z: 39 39.612 2.188 0.914 0.620 0.921 0.658 CB 1.488 39 residues pruned to eliminate duplicates Z: 11 15.169 1.674 0.690 0.921 1.000 0.700 CB 1.194 11 residues pruned to eliminate duplicates Z: 13 23.251 2.144 0.882 0.811 0.917 0.667 CB 1.385 13 residues pruned to eliminate duplicates Z: 9 15.352 1.920 0.942 0.709 1.000 0.250 CB 1.203 9 residues pruned to eliminate duplicates Z: 10 21.994 1.950 0.924 0.925 1.000 0.889 CA 1.372 10 residues pruned to eliminate duplicates Z: 11 12.771 1.716 0.533 0.928 1.000 0.800 CB 1.075 11 residues pruned to eliminate duplicates Z: 22 35.303 2.210 0.624 0.923 1.000 0.905 CB 1.509 22 residues pruned to eliminate duplicates Z: 22 21.539 1.898 0.475 0.921 1.000 0.762 CB 1.181 22 residues pruned to eliminate duplicates Z: 58 36.744 2.010 0.729 0.632 0.912 0.649 CB 1.356 58 residues pruned to eliminate duplicates Z: 12 9.088 1.640 0.511 0.889 1.000 0.727 CB 0.796 12 residues pruned to eliminate duplicates Z: 8 7.424 1.666 0.271 0.671 0.857 0.714 CB 1.320 8 residues pruned to eliminate duplicates Z: 10 22.587 2.291 0.623 0.851 1.000 0.556 CB 1.499 10 residues pruned to eliminate duplicates Z: 11 15.080 1.743 0.813 0.926 1.000 0.500 CB 1.058 11 residues pruned to eliminate duplicates Z: 11 11.073 1.567 0.709 0.908 1.000 0.800 CB 0.928 11 residues pruned to eliminate duplicates Z: 13 8.856 1.634 0.109 0.865 1.000 0.833 CB 1.033 13 residues pruned to eliminate duplicates Z: 10 14.232 1.813 0.435 0.901 1.000 0.889 CB 1.301 10 residues pruned to eliminate duplicates Z: 11 12.173 1.657 0.536 0.915 1.000 0.900 CB 1.069 11 residues pruned to eliminate duplicates Z: 8 7.831 1.821 -0.100 0.820 1.000 0.857 CA 1.368 8 residues pruned to eliminate duplicates Z: 8 4.497 1.722 0.439 0.309 0.857 0.571 CB 0.989 Z: 40 53.625 2.258 0.955 0.755 0.949 0.692 CB 1.633 40 residues pruned to eliminate duplicates Z: 13 12.043 1.661 0.620 0.874 1.000 0.500 CB 0.941 13 residues pruned to eliminate duplicates Z: 18 20.864 1.900 0.749 0.840 0.882 0.765 CB 1.288 18 residues pruned to eliminate duplicates Z: 13 15.433 2.009 0.550 0.781 0.833 0.583 CA 1.341 13 residues pruned to eliminate duplicates Z: 7 2.904 1.634 0.243 0.382 1.000 0.500 C 0.662 8 1.951 1.276 0.132 0.209 0.714 0.286 C 1.008 ? Z: 19 14.943 1.864 0.627 0.574 0.944 0.611 CB 1.145 19 residues pruned to eliminate duplicates Z: 25 59.015 2.470 1.066 0.816 1.000 0.875 CA 1.793 25 residues pruned to eliminate duplicates Z: 22 26.027 1.844 0.997 0.941 0.952 0.381 CB 1.124 22 residues pruned to eliminate duplicates Z: 25 17.733 1.916 0.475 0.469 0.958 0.667 CB 1.380 25 residues pruned to eliminate duplicates Z: 29 17.716 1.902 0.436 0.530 0.929 0.714 CB 1.282 29 residues pruned to eliminate duplicates Z: 10 11.839 1.734 0.389 0.880 1.000 0.889 CB 1.187 10 residues pruned to eliminate duplicates Z: 41 24.208 1.794 0.682 0.639 0.950 0.550 CB 1.173 41 residues pruned to eliminate duplicates Z: 15 10.289 1.822 0.058 0.749 1.000 0.857 CB 1.143 15 residues pruned to eliminate duplicates Z: 40 25.181 1.827 0.751 0.603 0.897 0.590 CB 1.273 40 residues pruned to eliminate duplicates 346 residues left after pruning, divided into chains as follows: A: 15 B: 7 C: 66 D: 9 E: 56 F: 14 G: 50 H: 18 I: 111 CC for partial structure against native data = 38.58 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.522, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.596, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.709, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.718, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.729, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.734, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.739, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.742, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.744, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.746, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1769 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 416 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 62.414 2.427 1.369 0.902 0.952 0.714 CA 1.774 B: 20 81.179 2.597 1.563 0.930 1.000 0.842 CA 1.957 21 residues pruned to eliminate duplicates C: 20 75.376 2.622 1.335 0.927 1.000 0.895 CA 1.980 21 residues pruned to eliminate duplicates D: 21 71.282 2.546 1.324 0.941 1.000 0.900 CA 1.869 21 residues pruned to eliminate duplicates E: 20 67.535 2.547 1.333 0.919 0.947 0.842 CA 1.940 20 residues pruned to eliminate duplicates F: 20 74.039 2.601 1.377 0.921 1.000 0.789 CA 1.934 20 residues pruned to eliminate duplicates G: 20 53.121 2.470 0.946 0.941 1.000 0.789 CA 1.759 19 residues pruned to eliminate duplicates H: 21 57.536 2.504 1.196 0.883 0.950 0.750 CA 1.781 21 residues pruned to eliminate duplicates I: 13 30.417 2.143 0.794 0.836 1.000 0.750 CA 1.709 J: 14 27.830 2.132 0.619 0.857 0.923 0.385 CB 1.785 13 residues pruned to eliminate duplicates K: 16 24.701 2.256 0.215 0.896 1.000 0.667 CB 1.667 L: 12 25.936 2.301 0.374 0.789 1.000 0.364 CB 1.919 13 residues pruned to eliminate duplicates M: 14 29.295 2.157 0.657 0.855 1.000 0.385 CB 1.677 13 residues pruned to eliminate duplicates N: 17 24.499 2.127 0.380 0.887 0.875 0.625 CA 1.719 16 residues pruned to eliminate duplicates O: 20 62.572 2.546 1.227 0.949 0.947 0.789 CA 1.845 20 residues pruned to eliminate duplicates P: 22 50.319 2.422 0.979 0.856 1.000 0.762 CA 1.689 22 residues pruned to eliminate duplicates Q: 15 25.687 2.347 0.269 0.886 0.929 0.786 CB 1.792 16 residues pruned to eliminate duplicates R: 15 40.459 2.388 1.236 0.832 1.000 0.786 CA 1.521 S: 14 26.379 2.092 0.486 0.909 0.923 0.615 CA 1.809 14 residues pruned to eliminate duplicates T: 21 65.099 2.510 1.153 0.925 1.000 0.700 CA 1.891 21 residues pruned to eliminate duplicates U: 22 50.683 2.375 0.965 0.947 1.000 0.619 CB 1.638 V: 13 27.001 2.310 0.623 0.833 0.917 0.667 CB 1.702 14 residues pruned to eliminate duplicates W: 17 31.980 2.184 0.595 0.902 0.938 0.812 CA 1.747 15 residues pruned to eliminate duplicates X: 13 30.373 2.145 0.753 0.903 1.000 0.750 CB 1.662 13 residues pruned to eliminate duplicates Y: 22 52.190 2.301 0.979 0.947 0.952 0.571 CB 1.814 Z: 21 66.234 2.517 1.246 0.918 1.000 0.800 CA 1.848 21 residues pruned to eliminate duplicates Z: 22 47.782 2.351 1.036 0.949 0.952 0.524 CB 1.579 22 residues pruned to eliminate duplicates Z: 23 42.209 2.293 0.690 0.945 1.000 0.682 CB 1.606 23 residues pruned to eliminate duplicates Z: 21 44.822 2.335 0.860 0.882 0.950 0.800 CA 1.758 21 residues pruned to eliminate duplicates Z: 14 24.193 2.025 0.693 0.871 0.923 0.615 CB 1.546 14 residues pruned to eliminate duplicates Z: 15 42.982 2.301 1.412 0.893 0.929 0.714 CA 1.600 15 residues pruned to eliminate duplicates Z: 21 41.538 2.314 0.651 0.916 0.950 0.700 CA 1.807 21 residues pruned to eliminate duplicates Z: 15 33.446 2.375 0.939 0.852 1.000 0.714 CA 1.435 15 residues pruned to eliminate duplicates Z: 15 28.938 2.343 0.459 0.837 0.929 0.714 CB 1.822 15 residues pruned to eliminate duplicates Z: 21 52.057 2.348 0.958 0.923 1.000 0.500 CB 1.779 21 residues pruned to eliminate duplicates Z: 22 49.960 2.272 0.934 0.913 1.000 0.905 CA 1.756 22 residues pruned to eliminate duplicates Z: 21 50.420 2.328 0.894 0.918 1.000 0.650 CB 1.803 21 residues pruned to eliminate duplicates Z: 21 60.289 2.506 1.055 0.922 1.000 0.850 CA 1.841 21 residues pruned to eliminate duplicates Z: 24 37.470 2.176 0.963 0.890 0.957 0.652 CB 1.376 24 residues pruned to eliminate duplicates Z: 15 26.895 2.361 0.665 0.840 0.929 0.714 CA 1.470 15 residues pruned to eliminate duplicates Z: 20 61.523 2.428 1.126 0.935 1.000 0.632 CB 1.904 21 residues pruned to eliminate duplicates Z: 21 73.773 2.497 1.527 0.919 0.950 0.500 CA 1.940 21 residues pruned to eliminate duplicates Z: 21 49.126 2.325 0.982 0.925 0.950 0.700 CB 1.761 21 residues pruned to eliminate duplicates Z: 15 43.638 2.391 1.329 0.852 1.000 0.643 CA 1.549 15 residues pruned to eliminate duplicates Z: 21 46.759 2.291 0.733 0.939 1.000 0.650 CB 1.831 21 residues pruned to eliminate duplicates Z: 22 38.013 2.334 0.807 0.925 0.905 0.571 CB 1.525 22 residues pruned to eliminate duplicates Z: 21 46.956 2.324 0.818 0.942 0.950 0.800 CB 1.814 21 residues pruned to eliminate duplicates Z: 17 29.385 2.230 0.480 0.863 0.938 0.812 CA 1.742 17 residues pruned to eliminate duplicates Z: 24 36.800 2.147 1.018 0.880 0.913 0.522 CB 1.406 24 residues pruned to eliminate duplicates Z: 23 37.754 2.261 0.801 0.918 0.909 0.591 CB 1.534 23 residues pruned to eliminate duplicates Z: 15 28.018 2.104 0.972 0.926 1.000 0.929 CB 1.266 Z: 15 25.726 2.211 0.405 0.896 0.929 0.714 CB 1.707 Z: 14 22.974 2.052 0.619 0.830 0.923 0.615 CB 1.561 14 residues pruned to eliminate duplicates Z: 16 44.027 2.352 1.415 0.828 0.933 0.667 CA 1.615 15 residues pruned to eliminate duplicates Z: 16 26.000 2.046 0.780 0.868 0.933 0.733 CB 1.443 15 residues pruned to eliminate duplicates Z: 14 18.615 2.059 0.365 0.845 0.923 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 23 40.643 2.244 1.047 0.925 0.955 0.409 CB 1.387 23 residues pruned to eliminate duplicates Z: 14 29.940 2.255 0.604 0.929 1.000 0.846 CB 1.607 15 residues pruned to eliminate duplicates Z: 15 22.977 2.078 0.478 0.748 1.000 0.714 CB 1.602 Z: 22 49.262 2.291 1.033 0.897 0.952 0.714 CB 1.735 22 residues pruned to eliminate duplicates Z: 22 48.930 2.267 1.045 0.908 0.952 0.762 CB 1.718 22 residues pruned to eliminate duplicates Z: 22 32.259 2.309 0.400 0.919 1.000 0.810 CB 1.535 22 residues pruned to eliminate duplicates Z: 12 22.496 2.104 0.699 0.876 0.909 0.818 CB 1.516 12 residues pruned to eliminate duplicates Z: 9 15.670 1.871 0.540 0.835 1.000 0.750 CB 1.440 Z: 20 17.429 2.042 0.336 0.631 0.895 0.632 CB 1.448 20 residues pruned to eliminate duplicates Z: 18 61.793 2.571 1.339 0.918 0.882 0.412 CA 1.992 18 residues pruned to eliminate duplicates Z: 23 33.503 2.252 0.420 0.937 1.000 0.818 CB 1.554 23 residues pruned to eliminate duplicates Z: 6 8.503 2.005 0.160 0.680 0.800 0.600 CB 1.732 Z: 20 60.874 2.450 1.090 0.956 1.000 0.579 CB 1.873 20 residues pruned to eliminate duplicates Z: 14 31.155 2.332 0.602 0.891 0.923 0.769 CB 1.802 14 residues pruned to eliminate duplicates Z: 19 22.466 2.129 0.580 0.658 0.889 0.611 CB 1.529 14 residues pruned to eliminate duplicates Z: 17 24.937 2.222 0.561 0.819 0.938 0.688 CA 1.454 17 residues pruned to eliminate duplicates Z: 6 10.916 1.951 0.233 0.840 1.000 0.600 CB 1.514 Z: 17 18.220 2.123 0.497 0.642 0.875 0.812 CB 1.433 17 residues pruned to eliminate duplicates Z: 21 51.011 2.330 0.890 0.945 1.000 0.950 CA 1.793 21 residues pruned to eliminate duplicates Z: 13 24.205 2.219 0.447 0.809 1.000 0.750 CB 1.662 Z: 68 50.388 2.090 0.763 0.725 0.955 0.657 CB 1.428 42 residues pruned to eliminate duplicates Z: 15 39.590 2.399 1.247 0.850 0.929 0.857 CA 1.566 15 residues pruned to eliminate duplicates Z: 14 17.763 2.067 0.159 0.793 1.000 0.923 CB 1.591 14 residues pruned to eliminate duplicates Z: 17 32.579 2.199 0.503 0.901 1.000 0.750 CA 1.759 17 residues pruned to eliminate duplicates Z: 21 47.209 2.290 0.976 0.900 0.950 0.900 CB 1.754 21 residues pruned to eliminate duplicates Z: 16 30.631 2.217 0.604 0.861 0.933 0.733 CB 1.751 16 residues pruned to eliminate duplicates Z: 16 34.141 2.221 0.682 0.896 1.000 0.733 CB 1.690 16 residues pruned to eliminate duplicates Z: 15 35.308 2.363 1.275 0.856 0.857 0.643 CA 1.511 15 residues pruned to eliminate duplicates Z: 16 34.221 2.141 0.924 0.898 1.000 0.533 CB 1.535 16 residues pruned to eliminate duplicates Z: 13 26.492 2.118 0.554 0.816 1.000 0.500 CB 1.766 13 residues pruned to eliminate duplicates Z: 14 22.162 2.062 0.459 0.815 1.000 0.692 CA 1.554 13 residues pruned to eliminate duplicates Z: 15 28.874 2.217 0.849 0.846 0.857 0.643 CB 1.633 15 residues pruned to eliminate duplicates Z: 22 30.948 2.184 0.404 0.891 0.952 0.952 CA 1.663 22 residues pruned to eliminate duplicates Z: 21 32.501 2.303 0.620 0.924 0.950 0.850 CB 1.440 21 residues pruned to eliminate duplicates Z: 17 21.240 2.039 0.622 0.859 0.812 0.625 CB 1.454 17 residues pruned to eliminate duplicates Z: 14 48.136 2.447 1.306 0.880 1.000 0.692 CA 1.714 14 residues pruned to eliminate duplicates Z: 23 35.894 2.236 0.851 0.908 0.955 0.636 CB 1.376 23 residues pruned to eliminate duplicates Z: 14 19.834 2.018 0.302 0.844 1.000 0.923 CA 1.557 Z: 21 51.272 2.221 1.095 0.932 1.000 0.500 CB 1.721 21 residues pruned to eliminate duplicates Z: 12 23.799 2.170 0.632 0.829 0.909 0.727 CB 1.677 12 residues pruned to eliminate duplicates Z: 23 30.060 2.183 0.565 0.884 0.955 0.773 CB 1.420 23 residues pruned to eliminate duplicates Z: 21 45.649 2.333 0.787 0.934 0.950 0.650 CA 1.797 21 residues pruned to eliminate duplicates Z: 15 35.367 2.201 1.171 0.886 0.929 0.714 CB 1.537 15 residues pruned to eliminate duplicates Z: 13 25.425 2.168 0.530 0.787 1.000 0.500 CB 1.720 13 residues pruned to eliminate duplicates Z: 14 25.623 2.137 0.560 0.819 1.000 0.846 CB 1.617 14 residues pruned to eliminate duplicates Z: 15 20.416 1.949 0.538 0.838 1.000 0.857 CB 1.360 14 residues pruned to eliminate duplicates Z: 15 28.269 2.211 0.592 0.894 0.929 0.571 CB 1.659 15 residues pruned to eliminate duplicates Z: 18 25.735 1.973 0.807 0.821 1.000 0.647 CB 1.325 Z: 19 44.054 2.386 0.934 0.921 0.944 0.944 CA 1.677 19 residues pruned to eliminate duplicates Z: 20 72.275 2.524 1.352 0.909 1.000 0.526 CA 1.982 20 residues pruned to eliminate duplicates Z: 14 25.458 2.285 0.537 0.893 0.923 0.923 CB 1.565 14 residues pruned to eliminate duplicates Z: 18 23.000 2.051 0.519 0.809 0.941 0.647 CB 1.452 17 residues pruned to eliminate duplicates Z: 18 19.051 2.182 0.504 0.658 0.824 0.588 CB 1.477 18 residues pruned to eliminate duplicates Z: 65 53.433 2.149 0.774 0.723 0.969 0.672 CB 1.478 66 residues pruned to eliminate duplicates Z: 13 36.251 2.267 1.115 0.905 1.000 0.833 CB 1.552 13 residues pruned to eliminate duplicates Z: 14 23.546 2.145 0.506 0.822 0.923 0.846 CB 1.657 14 residues pruned to eliminate duplicates Z: 22 31.088 1.936 0.915 0.934 1.000 0.667 CB 1.275 Z: 15 33.893 2.235 1.083 0.862 0.929 0.571 CB 1.538 15 residues pruned to eliminate duplicates Z: 11 14.153 1.746 0.632 0.901 1.000 1.000 CB 1.121 7 residues pruned to eliminate duplicates Z: 16 15.194 1.951 0.445 0.624 0.933 0.600 CB 1.326 Z: 13 26.274 2.218 0.509 0.806 1.000 0.833 CB 1.736 13 residues pruned to eliminate duplicates Z: 11 19.856 1.993 0.497 0.919 1.000 0.600 CA 1.483 11 residues pruned to eliminate duplicates Z: 10 17.232 1.952 0.318 0.921 1.000 0.889 CB 1.571 10 residues pruned to eliminate duplicates Z: 15 33.888 2.232 0.932 0.863 1.000 0.857 CB 1.540 15 residues pruned to eliminate duplicates Z: 15 27.365 2.190 0.826 0.864 0.929 0.786 CA 1.443 15 residues pruned to eliminate duplicates Z: 14 16.937 2.020 0.310 0.778 0.923 0.615 CA 1.505 14 residues pruned to eliminate duplicates Z: 9 11.965 1.822 0.438 0.896 0.875 0.750 CB 1.321 Z: 22 30.249 1.948 0.835 0.918 0.952 0.476 CB 1.367 22 residues pruned to eliminate duplicates Z: 16 31.541 2.153 0.639 0.911 1.000 0.867 CB 1.635 17 residues pruned to eliminate duplicates Z: 14 20.768 2.003 0.388 0.761 1.000 0.692 CA 1.642 14 residues pruned to eliminate duplicates Z: 23 39.122 2.265 0.700 0.943 0.955 0.682 CB 1.572 23 residues pruned to eliminate duplicates Z: 20 27.810 2.247 0.388 0.827 0.895 0.684 CB 1.724 17 residues pruned to eliminate duplicates Z: 17 20.377 2.079 0.468 0.796 0.812 0.750 CB 1.585 16 residues pruned to eliminate duplicates Z: 17 15.565 1.940 0.278 0.807 0.938 0.750 CB 1.281 Z: 10 21.658 2.278 0.735 0.783 0.889 0.778 CB 1.602 10 residues pruned to eliminate duplicates Z: 14 32.150 2.055 0.879 0.907 0.923 0.615 CB 1.778 13 residues pruned to eliminate duplicates Z: 12 20.892 1.774 0.784 0.926 1.000 0.909 N 1.396 11 residues pruned to eliminate duplicates Z: 16 30.026 2.258 1.083 0.842 0.867 0.600 CB 1.417 16 residues pruned to eliminate duplicates Z: 70 45.693 2.066 0.660 0.717 0.928 0.623 CB 1.421 70 residues pruned to eliminate duplicates Z: 15 34.070 2.244 0.910 0.886 1.000 0.786 CA 1.533 15 residues pruned to eliminate duplicates Z: 21 62.018 2.524 1.135 0.912 1.000 0.800 CA 1.823 21 residues pruned to eliminate duplicates Z: 14 20.464 2.130 0.360 0.907 0.846 0.846 CB 1.646 14 residues pruned to eliminate duplicates Z: 6 9.008 1.783 0.209 0.853 1.000 0.600 CA 1.382 6 residues pruned to eliminate duplicates Z: 15 31.402 2.232 0.933 0.883 0.929 0.714 CA 1.516 15 residues pruned to eliminate duplicates Z: 12 12.044 2.041 0.335 0.726 0.818 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 14 19.302 2.056 0.300 0.810 1.000 0.692 CA 1.530 15 residues pruned to eliminate duplicates Z: 20 20.340 2.003 0.588 0.673 0.842 0.842 CB 1.485 20 residues pruned to eliminate duplicates Z: 13 15.367 1.736 0.592 0.874 1.000 0.833 CB 1.169 13 residues pruned to eliminate duplicates Z: 16 23.844 2.087 0.349 0.874 1.000 0.667 CB 1.592 16 residues pruned to eliminate duplicates Z: 13 14.039 1.983 0.284 0.756 1.000 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 11 16.546 1.856 0.432 0.913 1.000 1.000 CB 1.393 11 residues pruned to eliminate duplicates Z: 22 44.278 2.245 0.844 0.893 0.952 0.857 CA 1.758 22 residues pruned to eliminate duplicates Z: 12 15.681 1.814 0.367 0.931 0.909 0.909 CA 1.466 12 residues pruned to eliminate duplicates Z: 22 39.859 2.213 0.685 0.905 1.000 0.952 CA 1.659 22 residues pruned to eliminate duplicates Z: 22 36.612 1.946 1.083 0.928 1.000 0.524 CB 1.381 22 residues pruned to eliminate duplicates Z: 14 27.472 2.351 0.442 0.895 0.923 0.769 CB 1.745 14 residues pruned to eliminate duplicates Z: 12 13.646 1.697 0.531 0.808 0.909 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 16 26.272 2.139 0.412 0.855 1.000 0.733 CA 1.659 16 residues pruned to eliminate duplicates Z: 11 11.895 1.662 0.348 0.824 1.000 0.800 CB 1.267 9 residues pruned to eliminate duplicates Z: 62 81.803 2.415 1.165 0.668 0.934 0.541 CB 1.834 75 residues pruned to eliminate duplicates Z: 75 92.003 2.460 1.011 0.721 0.946 0.689 CB 1.872 59 residues pruned to eliminate duplicates Z: 17 27.939 2.018 0.650 0.902 1.000 0.625 CB 1.497 17 residues pruned to eliminate duplicates Z: 14 19.450 1.985 0.429 0.813 1.000 0.615 CA 1.449 14 residues pruned to eliminate duplicates Z: 11 13.081 1.783 0.408 0.890 1.000 0.600 CB 1.184 11 residues pruned to eliminate duplicates Z: 114 78.822 2.283 0.815 0.663 0.912 0.646 CB 1.688 111 residues pruned to eliminate duplicates Z: 44 35.478 2.050 0.560 0.708 0.977 0.721 CB 1.434 44 residues pruned to eliminate duplicates Z: 21 27.388 1.972 0.804 0.939 0.950 0.750 CB 1.258 21 residues pruned to eliminate duplicates Z: 15 35.466 2.312 1.396 0.856 0.857 0.643 CA 1.473 15 residues pruned to eliminate duplicates Z: 21 32.070 2.250 1.172 0.612 0.850 0.500 CB 1.553 21 residues pruned to eliminate duplicates Z: 11 20.849 1.902 0.811 0.929 0.900 0.600 CB 1.489 11 residues pruned to eliminate duplicates Z: 16 30.998 2.203 0.574 0.925 1.000 0.800 CB 1.620 Z: 16 30.799 2.228 0.506 0.872 1.000 0.733 CB 1.727 16 residues pruned to eliminate duplicates Z: 72 86.499 2.429 0.930 0.726 0.944 0.676 CB 1.893 88 residues pruned to eliminate duplicates Z: 16 44.179 2.196 1.442 0.882 1.000 0.667 CA 1.540 16 residues pruned to eliminate duplicates Z: 12 23.758 2.357 0.977 0.853 0.727 0.636 CB 1.562 12 residues pruned to eliminate duplicates Z: 6 10.108 1.825 0.528 0.835 0.800 0.800 CA 1.518 6 residues pruned to eliminate duplicates Z: 13 25.010 2.199 0.566 0.873 0.917 0.917 CB 1.665 Z: 14 17.150 1.938 0.533 0.808 1.000 0.769 CB 1.224 14 residues pruned to eliminate duplicates Z: 18 28.073 2.034 0.617 0.857 0.941 0.882 CA 1.621 18 residues pruned to eliminate duplicates Z: 19 15.583 1.810 0.393 0.776 0.944 0.722 CB 1.209 17 residues pruned to eliminate duplicates Z: 16 29.024 2.051 1.094 0.895 0.933 0.400 CB 1.341 16 residues pruned to eliminate duplicates Z: 23 41.189 2.279 0.931 0.842 0.955 0.864 CA 1.558 23 residues pruned to eliminate duplicates Z: 43 49.603 2.232 0.845 0.766 0.905 0.524 CB 1.622 40 residues pruned to eliminate duplicates Z: 15 26.436 2.263 0.424 0.832 0.929 0.786 CA 1.773 13 residues pruned to eliminate duplicates Z: 12 20.570 1.844 0.729 0.919 1.000 0.818 CB 1.371 11 residues pruned to eliminate duplicates Z: 17 17.394 1.990 0.315 0.808 1.000 0.625 CB 1.270 18 residues pruned to eliminate duplicates Z: 19 18.837 1.919 0.555 0.808 0.944 0.500 CB 1.205 18 residues pruned to eliminate duplicates Z: 21 47.400 2.327 0.881 0.927 0.950 0.800 CA 1.786 21 residues pruned to eliminate duplicates Z: 11 12.429 1.836 0.172 0.916 1.000 0.800 CB 1.290 11 residues pruned to eliminate duplicates Z: 9 3.662 1.758 0.633 0.336 0.625 0.375 CB 0.862 Z: 12 17.775 2.055 0.387 0.812 1.000 0.818 CB 1.433 12 residues pruned to eliminate duplicates Z: 13 23.419 1.798 0.829 0.891 1.000 0.833 CB 1.477 13 residues pruned to eliminate duplicates Z: 11 20.878 1.912 0.659 0.925 1.000 0.700 CB 1.460 11 residues pruned to eliminate duplicates Z: 49 63.230 2.267 0.943 0.819 0.958 0.688 CB 1.638 51 residues pruned to eliminate duplicates Z: 19 20.369 1.989 0.562 0.755 0.833 0.500 CB 1.478 19 residues pruned to eliminate duplicates Z: 11 17.964 1.939 0.850 0.917 0.800 0.600 CB 1.397 11 residues pruned to eliminate duplicates Z: 18 23.034 2.152 0.520 0.669 0.882 0.765 CB 1.656 18 residues pruned to eliminate duplicates Z: 15 30.924 2.212 0.844 0.881 1.000 0.857 CA 1.467 15 residues pruned to eliminate duplicates Z: 14 14.605 1.716 0.492 0.811 0.923 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 11 18.842 1.912 0.608 0.869 0.900 0.600 CA 1.573 11 residues pruned to eliminate duplicates Z: 10 14.345 1.807 0.441 0.898 1.000 0.778 CB 1.314 11 residues pruned to eliminate duplicates Z: 12 12.667 1.809 0.404 0.919 1.000 0.727 CB 1.059 12 residues pruned to eliminate duplicates Z: 12 14.124 1.803 0.375 0.917 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 54 83.335 2.456 0.899 0.783 1.000 0.774 CA 1.913 54 residues pruned to eliminate duplicates Z: 21 32.811 1.955 1.015 0.947 1.000 0.600 CB 1.287 21 residues pruned to eliminate duplicates Z: 18 18.112 2.003 0.380 0.799 0.941 0.529 CB 1.300 18 residues pruned to eliminate duplicates Z: 18 24.535 1.938 0.642 0.805 0.941 0.471 CB 1.523 18 residues pruned to eliminate duplicates Z: 18 19.969 2.146 0.367 0.709 0.941 0.824 CB 1.451 16 residues pruned to eliminate duplicates Z: 23 26.228 2.239 0.114 0.923 1.000 0.955 CA 1.575 23 residues pruned to eliminate duplicates Z: 19 19.065 1.927 0.678 0.770 0.889 0.500 CB 1.231 19 residues pruned to eliminate duplicates Z: 22 28.639 1.951 0.594 0.924 1.000 0.905 CB 1.412 22 residues pruned to eliminate duplicates Z: 15 24.195 1.956 0.843 0.922 1.000 0.643 CB 1.261 15 residues pruned to eliminate duplicates Z: 12 20.569 2.108 0.430 0.824 0.909 0.909 CA 1.710 12 residues pruned to eliminate duplicates Z: 18 27.490 1.919 0.725 0.937 1.000 0.706 CB 1.402 18 residues pruned to eliminate duplicates Z: 18 20.284 1.994 0.661 0.766 0.824 0.412 CB 1.425 18 residues pruned to eliminate duplicates Z: 23 46.639 2.275 1.015 0.938 1.000 0.545 CB 1.508 23 residues pruned to eliminate duplicates Z: 21 29.083 1.944 0.899 0.944 1.000 0.400 CB 1.220 21 residues pruned to eliminate duplicates Z: 22 21.238 1.884 0.359 0.924 0.952 0.714 CB 1.335 22 residues pruned to eliminate duplicates Z: 17 13.689 1.888 0.518 0.816 0.812 0.500 CB 1.117 17 residues pruned to eliminate duplicates Z: 11 12.717 1.844 0.317 0.867 0.900 0.900 CB 1.346 11 residues pruned to eliminate duplicates Z: 12 10.749 1.903 0.410 0.841 0.909 0.545 CB 0.991 12 residues pruned to eliminate duplicates Z: 54 71.655 2.460 0.879 0.710 0.925 0.755 CB 1.903 54 residues pruned to eliminate duplicates Z: 20 75.127 2.558 1.416 0.944 1.000 0.211 CB 1.932 20 residues pruned to eliminate duplicates Z: 15 23.316 2.111 0.495 0.776 0.929 0.786 CB 1.666 15 residues pruned to eliminate duplicates Z: 58 46.290 2.210 0.669 0.630 0.930 0.614 CB 1.581 58 residues pruned to eliminate duplicates Z: 23 32.633 2.079 0.996 0.587 0.955 0.773 CA 1.616 23 residues pruned to eliminate duplicates Z: 22 24.620 1.901 0.522 0.922 0.952 0.762 CB 1.371 22 residues pruned to eliminate duplicates Z: 22 23.245 1.932 0.370 0.934 1.000 1.000 CB 1.336 22 residues pruned to eliminate duplicates Z: 12 12.901 1.818 0.509 0.853 0.909 0.818 CB 1.153 12 residues pruned to eliminate duplicates Z: 11 16.843 1.992 0.286 0.909 1.000 0.800 CB 1.476 11 residues pruned to eliminate duplicates Z: 12 25.368 2.188 0.541 0.891 1.000 0.727 CA 1.630 12 residues pruned to eliminate duplicates Z: 13 16.932 2.015 0.268 0.798 1.000 0.667 CB 1.474 13 residues pruned to eliminate duplicates Z: 15 28.778 2.248 0.615 0.845 0.929 0.571 CB 1.696 15 residues pruned to eliminate duplicates Z: 47 44.793 2.148 0.766 0.792 0.891 0.478 CB 1.512 47 residues pruned to eliminate duplicates Z: 6 8.508 1.746 0.399 0.847 1.000 0.600 CB 1.157 6 residues pruned to eliminate duplicates Z: 11 12.396 1.879 0.251 0.921 1.000 1.000 CB 1.173 11 residues pruned to eliminate duplicates Z: 77 82.669 2.416 0.950 0.701 0.921 0.592 CB 1.820 92 residues pruned to eliminate duplicates Z: 17 21.185 2.103 0.509 0.703 0.875 0.750 CB 1.586 17 residues pruned to eliminate duplicates Z: 41 58.336 2.369 0.851 0.754 0.925 0.700 CA 1.814 41 residues pruned to eliminate duplicates Z: 16 29.685 2.222 0.520 0.874 1.000 0.667 CB 1.652 Z: 13 18.679 2.057 0.358 0.794 1.000 0.583 CB 1.491 13 residues pruned to eliminate duplicates Z: 11 12.446 1.727 0.670 0.909 1.000 0.600 CB 0.968 Z: 12 13.117 1.764 0.543 0.926 1.000 0.909 CB 1.019 12 residues pruned to eliminate duplicates Z: 10 13.919 1.858 0.559 0.875 0.889 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 9 8.099 1.867 0.404 0.789 0.625 0.625 CB 1.356 9 residues pruned to eliminate duplicates Z: 15 29.953 2.050 0.945 0.858 0.929 0.857 CB 1.592 15 residues pruned to eliminate duplicates Z: 7 9.470 1.993 -0.058 0.841 1.000 0.833 CB 1.535 7 residues pruned to eliminate duplicates Z: 10 12.639 1.718 0.464 0.932 1.000 1.000 CB 1.170 10 residues pruned to eliminate duplicates Z: 6 2.781 1.577 0.148 0.563 0.600 0.600 CA 1.077 Z: 23 21.885 1.820 0.429 0.929 1.000 0.636 CB 1.256 22 residues pruned to eliminate duplicates Z: 19 17.696 2.033 0.698 0.650 0.833 0.556 CB 1.260 19 residues pruned to eliminate duplicates Z: 30 22.510 1.835 0.532 0.657 0.966 0.655 CB 1.331 25 residues pruned to eliminate duplicates Z: 11 11.695 1.643 0.486 0.805 0.900 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 10 8.999 1.917 0.116 0.659 1.000 0.444 CB 1.210 10 residues pruned to eliminate duplicates Z: 22 27.814 1.932 0.616 0.882 1.000 0.714 CB 1.407 22 residues pruned to eliminate duplicates Z: 6 5.490 1.766 0.173 0.635 1.000 0.600 CB 1.044 6 residues pruned to eliminate duplicates Z: 49 63.886 2.263 0.881 0.824 1.000 0.646 CB 1.635 49 residues pruned to eliminate duplicates Z: 12 12.396 1.705 0.187 0.918 1.000 1.000 CB 1.302 12 residues pruned to eliminate duplicates Z: 21 25.825 1.933 0.657 0.934 0.950 0.750 CB 1.324 21 residues pruned to eliminate duplicates Z: 22 15.037 1.856 0.364 0.619 0.857 0.714 CB 1.351 22 residues pruned to eliminate duplicates Z: 12 17.434 2.111 0.334 0.801 0.909 0.545 CB 1.578 12 residues pruned to eliminate duplicates Z: 14 30.651 2.393 0.625 0.920 1.000 1.000 CA 1.540 14 residues pruned to eliminate duplicates Z: 14 17.450 1.968 0.830 0.724 0.769 0.692 CB 1.428 18 residues pruned to eliminate duplicates Z: 17 26.267 2.062 0.469 0.844 1.000 0.750 CB 1.613 17 residues pruned to eliminate duplicates Z: 108 87.436 2.300 0.922 0.679 0.925 0.551 CB 1.753 109 residues pruned to eliminate duplicates Z: 10 9.231 1.586 0.535 0.839 0.778 0.333 CB 1.214 9 residues pruned to eliminate duplicates Z: 10 11.375 1.921 0.516 0.892 1.000 0.556 CB 0.935 10 residues pruned to eliminate duplicates Z: 18 18.274 1.937 0.338 0.806 1.000 0.824 CB 1.310 18 residues pruned to eliminate duplicates Z: 11 18.510 1.887 0.778 0.865 0.900 0.400 CB 1.420 11 residues pruned to eliminate duplicates Z: 12 14.023 1.812 0.312 0.905 1.000 0.636 CB 1.266 14 residues pruned to eliminate duplicates Z: 16 13.366 1.876 0.413 0.700 1.000 0.600 CB 1.086 16 residues pruned to eliminate duplicates Z: 16 19.367 1.948 0.663 0.897 0.933 0.667 CB 1.184 16 residues pruned to eliminate duplicates Z: 9 8.972 2.045 0.346 0.756 0.750 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 21 23.728 1.950 0.565 0.938 0.900 0.750 CB 1.344 21 residues pruned to eliminate duplicates Z: 11 15.317 1.698 0.550 0.855 1.000 0.700 CB 1.358 10 residues pruned to eliminate duplicates Z: 12 14.440 1.775 0.463 0.924 0.909 0.818 CB 1.295 12 residues pruned to eliminate duplicates Z: 72 90.695 2.425 1.106 0.697 0.958 0.577 CB 1.838 88 residues pruned to eliminate duplicates Z: 22 27.347 2.248 0.234 0.948 1.000 1.000 CB 1.486 22 residues pruned to eliminate duplicates Z: 12 31.930 2.327 0.947 0.918 0.909 0.364 CA 1.648 12 residues pruned to eliminate duplicates Z: 11 13.286 1.820 0.181 0.874 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 19 23.330 1.986 0.515 0.782 0.944 0.667 CB 1.509 19 residues pruned to eliminate duplicates Z: 61 75.505 2.459 0.891 0.685 0.917 0.633 CB 1.930 61 residues pruned to eliminate duplicates Z: 35 41.416 2.207 0.720 0.791 0.941 0.588 CB 1.540 35 residues pruned to eliminate duplicates Z: 9 11.961 1.718 0.544 0.905 1.000 0.500 CB 1.135 9 residues pruned to eliminate duplicates Z: 6 6.342 1.752 0.449 0.520 0.800 0.600 O 1.369 6 residues pruned to eliminate duplicates Z: 19 19.589 1.879 0.537 0.770 1.000 0.556 CB 1.259 19 residues pruned to eliminate duplicates Z: 11 13.086 1.773 0.373 0.924 1.000 0.900 CB 1.193 11 residues pruned to eliminate duplicates Z: 36 44.248 2.174 0.974 0.794 0.943 0.543 CB 1.429 36 residues pruned to eliminate duplicates 8 1.880 1.449 0.021 0.286 0.571 0.286 C 1.069 ? Z: 17 11.303 1.931 0.252 0.631 0.812 0.500 CB 1.272 16 residues pruned to eliminate duplicates Z: 16 31.336 2.193 0.652 0.887 0.933 0.600 CB 1.726 Z: 12 12.253 1.694 0.388 0.890 1.000 0.727 CB 1.130 11 residues pruned to eliminate duplicates Z: 10 12.246 1.703 0.346 0.904 1.000 0.778 CB 1.269 10 residues pruned to eliminate duplicates Z: 10 11.830 1.724 0.340 0.912 1.000 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 11 12.962 1.761 0.269 0.870 1.000 0.700 CB 1.338 11 residues pruned to eliminate duplicates Z: 22 33.490 1.950 0.896 0.937 1.000 0.714 CB 1.376 23 residues pruned to eliminate duplicates Z: 7 3.763 1.800 0.248 0.375 0.667 0.333 CB 1.172 7 residues pruned to eliminate duplicates Z: 16 24.849 2.247 0.325 0.878 0.933 0.733 CB 1.677 16 residues pruned to eliminate duplicates Z: 19 27.537 2.191 0.588 0.807 0.944 0.833 CB 1.512 19 residues pruned to eliminate duplicates Z: 16 11.332 1.935 0.233 0.626 0.867 0.667 CB 1.257 16 residues pruned to eliminate duplicates Z: 11 13.840 1.849 0.390 0.863 1.000 0.900 CB 1.249 11 residues pruned to eliminate duplicates Z: 58 47.774 2.143 0.722 0.718 0.947 0.596 CB 1.485 58 residues pruned to eliminate duplicates Z: 23 17.364 1.996 0.447 0.573 0.955 0.727 CB 1.252 19 residues pruned to eliminate duplicates Z: 16 25.833 2.194 0.623 0.895 0.867 0.600 CB 1.550 16 residues pruned to eliminate duplicates Z: 14 23.289 2.154 0.370 0.796 1.000 0.692 CA 1.690 14 residues pruned to eliminate duplicates Z: 12 9.535 1.692 0.096 0.908 1.000 0.818 CB 1.102 12 residues pruned to eliminate duplicates Z: 6 7.203 1.780 0.300 0.832 0.800 0.800 CB 1.307 6 residues pruned to eliminate duplicates Z: 8 8.787 1.774 0.326 0.759 0.857 0.714 CB 1.308 8 residues pruned to eliminate duplicates Z: 10 14.317 1.840 0.573 0.782 0.889 0.556 CB 1.447 9 residues pruned to eliminate duplicates Z: 17 14.384 1.915 0.223 0.830 0.875 0.688 CB 1.318 17 residues pruned to eliminate duplicates Z: 9 7.629 1.618 0.569 0.530 0.875 0.500 C 1.179 Z: 51 83.137 2.459 1.030 0.757 0.980 0.440 CB 1.913 67 residues pruned to eliminate duplicates Z: 32 36.599 2.038 0.775 0.777 0.935 0.419 CB 1.521 32 residues pruned to eliminate duplicates Z: 86 74.277 2.316 0.860 0.661 0.929 0.600 CB 1.733 86 residues pruned to eliminate duplicates Z: 6 4.876 1.395 0.275 0.717 1.000 0.400 CB 1.007 6 residues pruned to eliminate duplicates Z: 6 2.087 1.301 0.127 0.389 0.800 0.400 CB 0.895 Z: 12 8.532 1.752 0.049 0.862 0.909 0.636 CB 1.130 12 residues pruned to eliminate duplicates 6 1.211 1.344 0.089 0.366 0.600 0.400 C 0.712 ? Z: 9 15.129 2.098 0.244 0.887 1.000 0.500 CB 1.478 9 residues pruned to eliminate duplicates Z: 13 11.430 1.927 0.354 0.671 0.833 0.583 CB 1.296 13 residues pruned to eliminate duplicates Z: 11 11.832 1.767 0.107 0.918 1.000 0.800 CB 1.349 11 residues pruned to eliminate duplicates Z: 23 29.413 2.255 0.183 0.939 1.000 0.955 CB 1.634 23 residues pruned to eliminate duplicates Z: 22 19.001 1.876 0.522 0.634 1.000 0.667 CB 1.281 22 residues pruned to eliminate duplicates Z: 6 6.498 1.970 0.471 0.467 0.800 0.400 CB 1.296 6 residues pruned to eliminate duplicates Z: 13 18.180 2.045 0.375 0.881 1.000 0.917 CB 1.352 13 residues pruned to eliminate duplicates Z: 18 24.367 2.063 0.507 0.815 1.000 0.588 CB 1.445 18 residues pruned to eliminate duplicates Z: 9 7.007 1.978 0.221 0.619 0.750 0.250 CA 1.222 9 residues pruned to eliminate duplicates Z: 41 55.159 2.284 0.870 0.764 0.950 0.775 CB 1.700 41 residues pruned to eliminate duplicates Z: 38 23.330 2.019 0.332 0.620 0.919 0.649 CB 1.386 38 residues pruned to eliminate duplicates Z: 60 75.145 2.447 0.928 0.666 0.915 0.644 CA 1.943 60 residues pruned to eliminate duplicates Z: 10 12.282 1.709 0.553 0.898 1.000 0.889 CB 1.103 10 residues pruned to eliminate duplicates Z: 26 23.979 2.032 0.477 0.787 0.960 0.600 CB 1.294 26 residues pruned to eliminate duplicates Z: 38 58.875 2.346 1.072 0.665 0.946 0.622 CB 1.807 38 residues pruned to eliminate duplicates Z: 21 24.199 1.914 0.467 0.928 1.000 0.950 CB 1.350 21 residues pruned to eliminate duplicates Z: 22 34.332 2.273 0.551 0.904 1.000 0.905 CB 1.513 22 residues pruned to eliminate duplicates Z: 15 26.998 2.151 0.629 0.852 1.000 0.786 CA 1.523 15 residues pruned to eliminate duplicates Z: 8 8.376 1.648 0.381 0.845 0.857 0.714 CB 1.207 8 residues pruned to eliminate duplicates Z: 11 11.758 1.677 0.469 0.869 1.000 0.800 CB 1.102 11 residues pruned to eliminate duplicates Z: 8 2.141 1.513 0.290 0.274 0.714 0.286 CB 0.750 8 residues pruned to eliminate duplicates Z: 66 54.545 2.137 0.735 0.752 0.969 0.600 CB 1.504 67 residues pruned to eliminate duplicates Z: 10 8.459 1.626 0.461 0.803 0.778 0.444 CB 1.171 10 residues pruned to eliminate duplicates Z: 21 44.622 2.391 0.892 0.847 1.000 0.700 CB 1.637 21 residues pruned to eliminate duplicates Z: 8 6.052 1.986 0.512 0.401 0.714 0.429 CB 1.184 8 residues pruned to eliminate duplicates Z: 14 24.162 2.046 0.503 0.835 1.000 0.923 CB 1.633 14 residues pruned to eliminate duplicates Z: 6 4.796 1.258 0.642 0.808 1.000 0.600 CB 0.794 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 29.771 2.140 0.855 0.903 1.000 0.929 CB 1.429 21 residues pruned to eliminate duplicates Z: 13 35.975 2.261 1.203 0.917 1.000 0.750 CB 1.472 13 residues pruned to eliminate duplicates Z: 21 25.312 2.032 0.953 0.670 0.900 0.650 CB 1.354 21 residues pruned to eliminate duplicates Z: 21 22.538 2.067 0.739 0.630 0.900 0.650 CB 1.379 21 residues pruned to eliminate duplicates Z: 21 25.308 2.061 0.853 0.664 0.950 0.500 CB 1.340 21 residues pruned to eliminate duplicates Z: 24 21.162 2.006 0.730 0.576 0.913 0.565 CB 1.294 24 residues pruned to eliminate duplicates Z: 35 32.474 2.003 0.778 0.675 0.971 0.618 CB 1.371 31 residues pruned to eliminate duplicates Z: 15 32.698 2.214 0.884 0.871 1.000 0.786 CB 1.528 15 residues pruned to eliminate duplicates Z: 16 30.948 2.170 1.043 0.827 0.933 0.800 CB 1.456 16 residues pruned to eliminate duplicates Z: 35 30.818 2.075 0.837 0.682 0.912 0.471 CB 1.287 35 residues pruned to eliminate duplicates Z: 40 25.893 1.958 0.656 0.601 0.949 0.667 CB 1.224 40 residues pruned to eliminate duplicates Z: 21 24.044 2.048 0.956 0.644 0.850 0.700 CB 1.380 21 residues pruned to eliminate duplicates Z: 18 33.039 2.143 1.029 0.720 1.000 0.647 CB 1.511 18 residues pruned to eliminate duplicates Z: 6 10.087 1.891 0.172 0.830 1.000 1.000 CB 1.530 6 residues pruned to eliminate duplicates Z: 25 18.179 1.975 0.323 0.720 0.917 0.458 CB 1.270 25 residues pruned to eliminate duplicates Z: 10 8.414 1.512 0.268 0.827 1.000 0.667 CB 1.102 7 residues pruned to eliminate duplicates Z: 8 7.433 1.639 0.028 0.838 1.000 0.714 CA 1.247 8 residues pruned to eliminate duplicates Z: 16 6.434 1.654 0.336 0.441 0.800 0.467 CA 0.998 16 residues pruned to eliminate duplicates Z: 65 45.157 2.159 0.533 0.746 0.922 0.734 CB 1.485 66 residues pruned to eliminate duplicates Z: 11 15.309 1.860 0.443 0.897 1.000 0.900 CB 1.291 11 residues pruned to eliminate duplicates Z: 35 38.260 2.163 0.533 0.814 1.000 0.735 CB 1.507 35 residues pruned to eliminate duplicates Z: 66 49.191 2.135 0.550 0.744 1.000 0.692 CB 1.483 66 residues pruned to eliminate duplicates Z: 66 46.161 2.117 0.554 0.719 0.938 0.769 CB 1.522 66 residues pruned to eliminate duplicates Z: 64 48.781 2.170 0.521 0.732 0.968 0.810 CB 1.561 64 residues pruned to eliminate duplicates Z: 65 44.627 2.110 0.476 0.734 0.969 0.781 CB 1.498 66 residues pruned to eliminate duplicates Z: 12 13.018 1.839 0.272 0.869 1.000 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 65 44.453 2.116 0.514 0.708 0.969 0.766 CB 1.483 64 residues pruned to eliminate duplicates Z: 15 13.551 1.751 0.290 0.757 1.000 0.643 CB 1.275 14 residues pruned to eliminate duplicates Z: 34 28.261 2.124 0.203 0.859 0.970 0.788 CB 1.460 34 residues pruned to eliminate duplicates Z: 66 46.611 2.148 0.626 0.721 0.908 0.754 CB 1.494 66 residues pruned to eliminate duplicates Z: 67 43.667 2.106 0.487 0.705 0.970 0.742 CB 1.468 67 residues pruned to eliminate duplicates Z: 68 44.684 2.103 0.565 0.715 0.925 0.746 CB 1.475 67 residues pruned to eliminate duplicates Z: 22 35.076 2.324 0.476 0.933 1.000 0.810 CB 1.558 22 residues pruned to eliminate duplicates Z: 66 51.972 2.140 0.676 0.729 0.985 0.738 CB 1.485 66 residues pruned to eliminate duplicates Z: 50 42.909 2.131 0.646 0.761 0.939 0.694 CB 1.476 50 residues pruned to eliminate duplicates Z: 23 30.579 2.202 0.581 0.894 0.955 0.591 CB 1.407 23 residues pruned to eliminate duplicates Z: 68 44.168 2.092 0.585 0.713 0.940 0.627 CB 1.427 68 residues pruned to eliminate duplicates Z: 66 49.896 2.139 0.648 0.732 0.954 0.677 CB 1.495 66 residues pruned to eliminate duplicates Z: 65 45.783 2.137 0.558 0.729 0.953 0.797 CB 1.468 65 residues pruned to eliminate duplicates Z: 65 54.147 2.140 0.751 0.739 0.984 0.672 CB 1.482 65 residues pruned to eliminate duplicates Z: 21 47.143 2.349 0.863 0.943 1.000 0.600 CB 1.670 21 residues pruned to eliminate duplicates Z: 65 51.337 2.158 0.700 0.746 0.953 0.688 CB 1.473 65 residues pruned to eliminate duplicates Z: 50 48.267 2.160 0.799 0.771 0.939 0.694 CB 1.487 50 residues pruned to eliminate duplicates Z: 67 50.836 2.119 0.698 0.706 0.970 0.682 CB 1.488 67 residues pruned to eliminate duplicates Z: 48 50.025 2.213 0.762 0.787 0.979 0.702 CB 1.486 48 residues pruned to eliminate duplicates Z: 66 52.385 2.140 0.770 0.727 0.938 0.723 CB 1.490 67 residues pruned to eliminate duplicates Z: 19 47.295 2.388 0.911 0.939 1.000 0.500 CB 1.698 19 residues pruned to eliminate duplicates Z: 67 46.152 2.111 0.628 0.729 0.924 0.667 CB 1.456 67 residues pruned to eliminate duplicates Z: 65 51.237 2.148 0.637 0.750 0.984 0.672 CB 1.481 65 residues pruned to eliminate duplicates Z: 64 50.105 2.175 0.624 0.732 0.952 0.635 CB 1.523 64 residues pruned to eliminate duplicates Z: 65 49.512 2.138 0.694 0.719 0.953 0.672 CB 1.471 65 residues pruned to eliminate duplicates Z: 52 39.713 2.115 0.695 0.752 0.882 0.627 CB 1.405 52 residues pruned to eliminate duplicates Z: 30 33.442 2.164 0.690 0.676 0.931 0.828 CB 1.551 30 residues pruned to eliminate duplicates Z: 66 56.048 2.142 0.779 0.765 0.985 0.646 CB 1.465 66 residues pruned to eliminate duplicates Z: 65 52.509 2.155 0.723 0.740 0.953 0.766 CB 1.496 65 residues pruned to eliminate duplicates Z: 65 51.283 2.143 0.692 0.718 0.969 0.703 CB 1.499 65 residues pruned to eliminate duplicates Z: 65 53.580 2.151 0.764 0.734 0.953 0.641 CB 1.500 65 residues pruned to eliminate duplicates Z: 66 50.929 2.146 0.760 0.748 0.923 0.723 CB 1.452 66 residues pruned to eliminate duplicates Z: 66 50.657 2.138 0.691 0.714 0.954 0.692 CB 1.501 66 residues pruned to eliminate duplicates Z: 65 54.067 2.167 0.785 0.730 0.938 0.641 CB 1.515 65 residues pruned to eliminate duplicates Z: 65 50.180 2.158 0.753 0.726 0.922 0.734 CB 1.467 65 residues pruned to eliminate duplicates Z: 49 50.108 2.154 0.861 0.806 0.979 0.667 CB 1.412 49 residues pruned to eliminate duplicates Z: 65 55.402 2.159 0.842 0.744 0.938 0.625 CB 1.493 65 residues pruned to eliminate duplicates Z: 65 56.821 2.153 0.807 0.737 0.969 0.656 CB 1.523 65 residues pruned to eliminate duplicates Z: 68 49.429 2.109 0.655 0.732 0.955 0.657 CB 1.469 68 residues pruned to eliminate duplicates Z: 66 51.138 2.139 0.727 0.738 0.938 0.631 CB 1.478 66 residues pruned to eliminate duplicates Z: 65 55.253 2.167 0.743 0.752 0.969 0.641 CB 1.508 65 residues pruned to eliminate duplicates Z: 64 57.172 2.167 0.880 0.743 0.937 0.571 CB 1.519 64 residues pruned to eliminate duplicates Z: 66 55.811 2.138 0.780 0.731 0.969 0.692 CB 1.525 66 residues pruned to eliminate duplicates Z: 67 49.239 2.117 0.635 0.742 0.955 0.727 CB 1.477 67 residues pruned to eliminate duplicates Z: 65 51.834 2.150 0.606 0.763 0.984 0.703 CB 1.509 65 residues pruned to eliminate duplicates Z: 66 55.438 2.142 0.739 0.766 0.985 0.692 CB 1.480 66 residues pruned to eliminate duplicates Z: 64 54.430 2.165 0.701 0.761 0.952 0.651 CB 1.551 64 residues pruned to eliminate duplicates Z: 64 57.148 2.173 0.795 0.737 0.968 0.587 CB 1.541 64 residues pruned to eliminate duplicates Z: 65 52.613 2.147 0.725 0.732 0.953 0.672 CB 1.512 65 residues pruned to eliminate duplicates Z: 65 52.347 2.147 0.747 0.731 0.953 0.594 CB 1.487 65 residues pruned to eliminate duplicates Z: 65 55.884 2.157 0.793 0.746 0.969 0.594 CB 1.496 65 residues pruned to eliminate duplicates Z: 67 58.614 2.134 0.833 0.766 0.985 0.606 CB 1.479 66 residues pruned to eliminate duplicates Z: 11 18.596 1.894 0.800 0.913 0.900 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 33 35.573 2.098 0.736 0.683 1.000 0.688 CB 1.460 33 residues pruned to eliminate duplicates Z: 66 54.151 2.131 0.741 0.783 0.954 0.631 CB 1.480 67 residues pruned to eliminate duplicates Z: 12 20.417 1.836 0.704 0.921 1.000 0.455 CB 1.385 11 residues pruned to eliminate duplicates Z: 10 14.804 1.826 0.458 0.901 1.000 0.778 CB 1.323 10 residues pruned to eliminate duplicates Z: 51 31.554 1.926 0.559 0.732 0.920 0.700 CB 1.311 50 residues pruned to eliminate duplicates Z: 10 15.234 1.841 0.483 0.894 1.000 0.778 CB 1.334 10 residues pruned to eliminate duplicates Z: 10 14.423 1.851 0.370 0.910 1.000 0.889 CB 1.345 10 residues pruned to eliminate duplicates Z: 11 14.097 1.711 0.421 0.900 1.000 0.900 CB 1.309 11 residues pruned to eliminate duplicates Z: 10 16.999 1.865 0.671 0.904 1.000 0.778 CB 1.295 10 residues pruned to eliminate duplicates Z: 10 15.627 1.863 0.567 0.886 1.000 0.778 CB 1.288 10 residues pruned to eliminate duplicates Z: 40 28.289 1.929 0.647 0.713 0.923 0.590 CB 1.274 40 residues pruned to eliminate duplicates Z: 24 21.772 1.885 0.649 0.718 0.957 0.696 CB 1.253 24 residues pruned to eliminate duplicates Z: 21 17.801 1.833 0.321 0.899 0.850 0.700 CB 1.383 21 residues pruned to eliminate duplicates Z: 52 31.413 1.901 0.572 0.702 0.961 0.686 CB 1.275 52 residues pruned to eliminate duplicates Z: 64 33.972 1.875 0.510 0.728 0.968 0.762 CB 1.272 64 residues pruned to eliminate duplicates Z: 22 27.100 1.975 0.679 0.917 1.000 0.571 CB 1.258 22 residues pruned to eliminate duplicates Z: 33 30.169 1.936 0.692 0.810 0.938 0.688 CB 1.326 33 residues pruned to eliminate duplicates Z: 65 31.634 1.816 0.547 0.730 0.969 0.625 CB 1.181 65 residues pruned to eliminate duplicates Z: 32 24.891 1.858 0.738 0.693 0.935 0.581 CB 1.240 32 residues pruned to eliminate duplicates Z: 58 35.839 1.918 0.719 0.696 0.965 0.509 CB 1.248 58 residues pruned to eliminate duplicates Z: 21 31.752 1.993 0.903 0.954 0.950 0.600 CB 1.356 21 residues pruned to eliminate duplicates Z: 59 33.273 1.918 0.664 0.678 0.914 0.638 CB 1.271 59 residues pruned to eliminate duplicates Z: 22 33.696 1.937 0.990 0.941 1.000 0.524 CB 1.324 22 residues pruned to eliminate duplicates Z: 33 33.608 1.937 0.805 0.817 0.969 0.469 CB 1.333 33 residues pruned to eliminate duplicates Z: 32 33.643 1.918 0.842 0.815 0.968 0.516 CB 1.344 32 residues pruned to eliminate duplicates Z: 33 34.512 1.916 0.903 0.850 1.000 0.469 CB 1.239 33 residues pruned to eliminate duplicates Z: 32 35.612 1.944 0.873 0.862 0.968 0.516 CB 1.332 32 residues pruned to eliminate duplicates Z: 32 36.463 1.935 0.859 0.865 1.000 0.516 CB 1.334 32 residues pruned to eliminate duplicates Z: 23 36.830 1.951 1.130 0.935 1.000 0.364 CB 1.317 23 residues pruned to eliminate duplicates Z: 54 31.452 1.907 0.685 0.687 0.925 0.491 CB 1.226 54 residues pruned to eliminate duplicates Z: 60 35.773 1.900 0.721 0.695 0.949 0.593 CB 1.256 60 residues pruned to eliminate duplicates Z: 33 31.825 1.907 0.827 0.810 0.938 0.500 CB 1.315 33 residues pruned to eliminate duplicates Z: 46 33.734 1.923 0.710 0.763 0.978 0.644 CB 1.238 46 residues pruned to eliminate duplicates Z: 15 13.054 1.819 0.539 0.667 0.929 0.714 CB 1.150 15 residues pruned to eliminate duplicates Z: 18 9.680 1.823 0.373 0.460 0.765 0.353 CB 1.278 18 residues pruned to eliminate duplicates Z: 19 16.222 1.941 0.562 0.544 0.944 0.444 CB 1.279 19 residues pruned to eliminate duplicates Z: 31 16.965 1.843 0.386 0.601 0.867 0.667 CB 1.272 31 residues pruned to eliminate duplicates Z: 31 20.089 1.818 0.481 0.619 1.000 0.733 CB 1.218 31 residues pruned to eliminate duplicates Z: 29 20.655 1.853 0.692 0.624 0.893 0.679 CB 1.240 29 residues pruned to eliminate duplicates Z: 56 36.020 1.911 0.708 0.681 0.927 0.509 CB 1.359 56 residues pruned to eliminate duplicates Z: 10 15.215 1.998 0.453 0.900 1.000 1.000 CB 1.248 10 residues pruned to eliminate duplicates Z: 59 36.169 1.905 0.716 0.709 0.966 0.466 CB 1.244 59 residues pruned to eliminate duplicates Z: 20 12.358 1.879 0.566 0.497 0.842 0.526 CB 1.148 20 residues pruned to eliminate duplicates Z: 65 34.536 1.864 0.682 0.681 0.922 0.484 CB 1.265 65 residues pruned to eliminate duplicates Z: 15 13.125 2.008 0.488 0.603 0.929 0.500 CB 1.147 15 residues pruned to eliminate duplicates Z: 21 12.719 1.844 0.394 0.534 0.900 0.650 CB 1.188 21 residues pruned to eliminate duplicates Z: 58 25.059 1.876 0.325 0.631 0.912 0.561 CB 1.294 59 residues pruned to eliminate duplicates Z: 6 10.818 1.752 0.952 0.502 1.000 0.600 CB 1.412 6 residues pruned to eliminate duplicates Z: 65 38.513 1.886 0.734 0.734 0.969 0.531 CB 1.231 65 residues pruned to eliminate duplicates Z: 91 38.142 1.871 0.570 0.692 0.911 0.500 CB 1.261 91 residues pruned to eliminate duplicates Z: 60 26.207 1.867 0.406 0.641 0.949 0.644 CB 1.200 60 residues pruned to eliminate duplicates Z: 33 20.054 1.805 0.408 0.652 0.906 0.688 CB 1.337 33 residues pruned to eliminate duplicates Z: 30 18.684 1.850 0.513 0.663 0.897 0.655 CB 1.188 30 residues pruned to eliminate duplicates Z: 34 21.074 1.822 0.578 0.622 0.909 0.667 CB 1.251 34 residues pruned to eliminate duplicates Z: 66 37.277 1.885 0.721 0.737 0.923 0.646 CB 1.248 66 residues pruned to eliminate duplicates Z: 84 37.132 1.876 0.658 0.692 0.928 0.506 CB 1.185 84 residues pruned to eliminate duplicates Z: 34 23.147 1.809 0.522 0.652 0.970 0.576 CB 1.310 34 residues pruned to eliminate duplicates Z: 83 43.005 1.897 0.795 0.698 0.915 0.585 CB 1.273 129 residues pruned to eliminate duplicates Z: 11 14.307 1.755 0.563 0.879 1.000 0.700 CB 1.195 11 residues pruned to eliminate duplicates Z: 51 32.399 1.867 0.765 0.702 0.940 0.540 CB 1.231 51 residues pruned to eliminate duplicates Z: 64 37.630 1.899 0.747 0.750 0.905 0.413 CB 1.263 64 residues pruned to eliminate duplicates Z: 70 34.991 1.814 0.760 0.690 0.913 0.449 CB 1.214 70 residues pruned to eliminate duplicates Z: 16 12.776 1.905 0.293 0.626 0.867 0.800 CB 1.372 Z: 13 19.341 2.115 0.342 0.832 1.000 0.833 CB 1.477 16 residues pruned to eliminate duplicates Z: 13 22.409 2.104 0.493 0.829 1.000 0.667 CB 1.550 13 residues pruned to eliminate duplicates Z: 13 15.463 2.086 0.288 0.772 0.917 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 13 19.085 2.053 0.394 0.813 1.000 0.667 CB 1.466 13 residues pruned to eliminate duplicates Z: 12 20.788 2.092 0.474 0.830 1.000 0.636 CB 1.529 12 residues pruned to eliminate duplicates Z: 21 14.190 1.818 0.437 0.554 0.900 0.550 CA 1.281 20 residues pruned to eliminate duplicates Z: 13 21.610 2.111 0.519 0.815 1.000 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 20 19.678 2.073 0.579 0.664 0.895 0.474 CB 1.325 34 residues pruned to eliminate duplicates Z: 13 14.532 2.075 0.272 0.706 0.917 0.667 CB 1.438 Z: 13 17.724 2.087 0.371 0.797 1.000 0.583 CB 1.379 13 residues pruned to eliminate duplicates Z: 13 17.740 2.040 0.317 0.821 1.000 0.667 CB 1.442 12 residues pruned to eliminate duplicates Z: 12 13.935 1.716 0.617 0.836 1.000 0.818 CB 1.133 12 residues pruned to eliminate duplicates Z: 48 51.343 2.195 0.819 0.761 0.936 0.617 CB 1.588 48 residues pruned to eliminate duplicates Z: 49 54.518 2.265 0.668 0.811 0.958 0.771 CB 1.658 49 residues pruned to eliminate duplicates Z: 11 13.542 1.776 0.461 0.802 1.000 0.600 CB 1.267 12 residues pruned to eliminate duplicates Z: 13 13.838 1.717 0.451 0.896 1.000 0.917 CB 1.148 12 residues pruned to eliminate duplicates Z: 13 16.034 1.730 0.660 0.864 1.000 0.750 CB 1.182 13 residues pruned to eliminate duplicates Z: 13 16.732 1.718 0.700 0.894 1.000 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 49 49.215 2.227 0.752 0.771 0.917 0.688 CB 1.562 49 residues pruned to eliminate duplicates Z: 50 54.593 2.246 0.746 0.783 0.939 0.816 CB 1.652 50 residues pruned to eliminate duplicates Z: 50 51.627 2.223 0.684 0.775 0.959 0.837 CB 1.611 50 residues pruned to eliminate duplicates Z: 49 57.928 2.269 0.844 0.792 0.938 0.750 CB 1.650 49 residues pruned to eliminate duplicates Z: 44 52.482 2.252 0.812 0.738 0.977 0.744 CB 1.623 44 residues pruned to eliminate duplicates Z: 54 52.320 2.173 0.795 0.756 0.943 0.698 CB 1.555 54 residues pruned to eliminate duplicates Z: 50 61.107 2.249 0.892 0.794 0.980 0.592 CB 1.618 50 residues pruned to eliminate duplicates Z: 50 55.667 2.232 0.814 0.813 0.959 0.633 CB 1.560 50 residues pruned to eliminate duplicates Z: 51 51.369 2.196 0.809 0.752 0.960 0.640 CB 1.521 51 residues pruned to eliminate duplicates Z: 55 51.561 2.154 0.874 0.730 0.926 0.537 CB 1.526 55 residues pruned to eliminate duplicates Z: 50 57.387 2.235 0.843 0.808 0.959 0.653 CB 1.588 50 residues pruned to eliminate duplicates Z: 50 59.866 2.241 0.874 0.794 1.000 0.592 CB 1.575 51 residues pruned to eliminate duplicates Z: 21 57.903 2.389 1.062 0.936 1.000 0.550 CB 1.830 21 residues pruned to eliminate duplicates Z: 41 56.554 2.320 0.851 0.796 0.950 0.700 CB 1.692 41 residues pruned to eliminate duplicates Z: 48 65.168 2.301 0.967 0.802 0.979 0.702 CB 1.648 48 residues pruned to eliminate duplicates Z: 43 49.966 2.236 0.858 0.742 0.929 0.571 CB 1.609 43 residues pruned to eliminate duplicates Z: 50 58.278 2.257 0.806 0.788 0.980 0.612 CB 1.618 50 residues pruned to eliminate duplicates Z: 50 58.687 2.242 0.847 0.810 0.959 0.653 CB 1.611 50 residues pruned to eliminate duplicates Z: 48 61.502 2.285 0.835 0.813 1.000 0.723 CB 1.630 48 residues pruned to eliminate duplicates Z: 48 56.748 2.267 0.963 0.797 0.915 0.511 CB 1.568 48 residues pruned to eliminate duplicates Z: 47 62.005 2.303 0.866 0.796 1.000 0.674 CB 1.642 47 residues pruned to eliminate duplicates Z: 46 55.105 2.254 0.940 0.745 0.911 0.600 CB 1.656 46 residues pruned to eliminate duplicates Z: 48 57.966 2.294 0.798 0.806 0.936 0.745 CB 1.677 48 residues pruned to eliminate duplicates Z: 49 61.953 2.268 0.980 0.799 0.958 0.667 CB 1.599 49 residues pruned to eliminate duplicates Z: 50 59.859 2.241 0.850 0.807 0.980 0.653 CB 1.610 50 residues pruned to eliminate duplicates Z: 40 58.628 2.357 0.868 0.825 0.949 0.641 CB 1.696 40 residues pruned to eliminate duplicates Z: 50 48.275 2.216 0.689 0.813 0.918 0.571 CB 1.528 50 residues pruned to eliminate duplicates Z: 41 57.775 2.313 0.935 0.786 0.925 0.575 CB 1.716 41 residues pruned to eliminate duplicates Z: 39 49.406 2.224 0.903 0.734 0.947 0.579 CB 1.621 37 residues pruned to eliminate duplicates Z: 16 19.860 2.128 0.409 0.867 0.800 0.533 CB 1.564 15 residues pruned to eliminate duplicates Z: 16 25.546 2.110 0.563 0.858 0.933 0.467 CB 1.578 16 residues pruned to eliminate duplicates Z: 46 63.327 2.304 0.990 0.811 0.978 0.600 CB 1.606 46 residues pruned to eliminate duplicates Z: 48 59.003 2.271 0.872 0.829 0.957 0.553 CB 1.590 14 residues pruned to eliminate duplicates Z: 13 30.060 2.263 0.780 0.926 0.917 0.667 CB 1.648 13 residues pruned to eliminate duplicates Z: 50 61.990 2.252 0.880 0.824 0.980 0.694 CB 1.612 50 residues pruned to eliminate duplicates Z: 46 60.095 2.316 0.897 0.816 0.956 0.600 CB 1.622 46 residues pruned to eliminate duplicates Z: 42 61.280 2.296 1.025 0.772 0.951 0.561 CB 1.702 42 residues pruned to eliminate duplicates Z: 50 57.582 2.231 0.876 0.777 0.939 0.612 CB 1.640 50 residues pruned to eliminate duplicates Z: 48 57.006 2.237 0.961 0.771 0.936 0.447 CB 1.593 48 residues pruned to eliminate duplicates Z: 49 57.715 2.246 0.787 0.802 0.979 0.583 CB 1.628 49 residues pruned to eliminate duplicates Z: 17 26.256 2.054 0.501 0.827 1.000 0.750 CA 1.605 17 residues pruned to eliminate duplicates Z: 24 15.179 1.925 0.380 0.708 0.870 0.478 CB 1.134 Z: 19 18.028 1.807 0.483 0.788 0.944 0.444 CB 1.303 17 residues pruned to eliminate duplicates Z: 11 13.949 1.948 0.559 0.714 1.000 0.400 CB 1.197 18 residues pruned to eliminate duplicates Z: 10 13.258 1.984 0.553 0.752 1.000 0.556 CB 1.145 10 residues pruned to eliminate duplicates Z: 17 9.505 1.932 0.297 0.627 0.812 0.438 CB 1.036 9 residues pruned to eliminate duplicates Z: 19 19.185 1.932 0.417 0.837 1.000 0.611 CB 1.236 27 residues pruned to eliminate duplicates Z: 19 17.693 1.923 0.414 0.814 0.944 0.667 CB 1.236 19 residues pruned to eliminate duplicates Z: 19 13.857 1.821 0.601 0.685 0.833 0.500 CB 1.134 19 residues pruned to eliminate duplicates Z: 25 16.895 1.957 0.416 0.703 0.917 0.542 CB 1.129 18 residues pruned to eliminate duplicates Z: 11 12.211 1.890 0.288 0.832 0.900 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 25 13.894 1.842 0.342 0.691 0.875 0.542 CB 1.101 25 residues pruned to eliminate duplicates Z: 26 16.605 1.891 0.345 0.671 0.960 0.520 CB 1.162 26 residues pruned to eliminate duplicates Z: 13 12.162 1.830 0.586 0.830 0.833 0.583 CB 1.092 13 residues pruned to eliminate duplicates Z: 35 22.174 1.936 0.450 0.645 0.971 0.559 CB 1.220 33 residues pruned to eliminate duplicates Z: 13 19.679 1.878 0.755 0.851 1.000 0.833 CB 1.276 13 residues pruned to eliminate duplicates Z: 20 20.174 1.984 0.573 0.762 0.947 0.526 CB 1.240 20 residues pruned to eliminate duplicates Z: 35 31.691 2.092 0.508 0.664 1.000 0.618 CB 1.480 35 residues pruned to eliminate duplicates Z: 38 25.211 2.044 0.496 0.592 0.892 0.514 CB 1.392 38 residues pruned to eliminate duplicates Z: 38 24.859 2.016 0.380 0.631 0.946 0.622 CB 1.373 38 residues pruned to eliminate duplicates Z: 111 82.815 2.328 0.811 0.666 0.918 0.609 CB 1.749 111 residues pruned to eliminate duplicates Z: 41 21.720 2.005 0.402 0.568 0.850 0.625 CB 1.346 37 residues pruned to eliminate duplicates Z: 17 24.153 2.086 0.630 0.792 0.938 0.625 CB 1.466 20 residues pruned to eliminate duplicates Z: 19 23.133 2.003 0.499 0.834 1.000 0.667 CB 1.361 19 residues pruned to eliminate duplicates Z: 35 26.890 2.074 0.431 0.648 0.941 0.588 CB 1.437 35 residues pruned to eliminate duplicates Z: 34 25.540 2.056 0.417 0.631 0.939 0.636 CB 1.436 34 residues pruned to eliminate duplicates Z: 38 24.259 2.029 0.384 0.609 0.919 0.595 CB 1.394 38 residues pruned to eliminate duplicates Z: 54 42.575 2.180 0.626 0.638 0.943 0.679 CB 1.537 54 residues pruned to eliminate duplicates Z: 114 84.641 2.306 0.807 0.673 0.947 0.681 CB 1.721 114 residues pruned to eliminate duplicates Z: 33 30.149 2.103 0.458 0.665 1.000 0.719 CB 1.492 34 residues pruned to eliminate duplicates Z: 16 23.989 2.112 0.617 0.807 0.933 0.533 CB 1.486 16 residues pruned to eliminate duplicates Z: 19 21.212 1.955 0.458 0.771 0.944 0.722 CB 1.462 19 residues pruned to eliminate duplicates Z: 111 89.449 2.318 0.921 0.666 0.955 0.609 CB 1.721 111 residues pruned to eliminate duplicates Z: 36 25.004 2.046 0.382 0.618 0.943 0.571 CB 1.418 36 residues pruned to eliminate duplicates Z: 112 83.695 2.319 0.762 0.668 0.973 0.640 CB 1.711 56 residues pruned to eliminate duplicates Z: 14 20.610 2.130 0.431 0.683 1.000 0.769 CB 1.585 14 residues pruned to eliminate duplicates Z: 35 29.024 2.076 0.533 0.637 0.971 0.647 CB 1.417 35 residues pruned to eliminate duplicates Z: 13 24.537 2.184 0.452 0.837 1.000 0.833 CB 1.670 13 residues pruned to eliminate duplicates Z: 33 27.735 2.083 0.449 0.630 0.969 0.625 CB 1.485 33 residues pruned to eliminate duplicates Z: 55 40.637 2.150 0.743 0.618 0.889 0.611 CB 1.485 55 residues pruned to eliminate duplicates Z: 35 25.452 2.075 0.312 0.625 0.941 0.706 CB 1.514 35 residues pruned to eliminate duplicates Z: 40 25.381 2.051 0.430 0.560 0.923 0.641 CB 1.417 40 residues pruned to eliminate duplicates Z: 46 21.931 2.003 0.367 0.495 0.911 0.644 CB 1.317 46 residues pruned to eliminate duplicates Z: 108 82.723 2.325 0.854 0.650 0.916 0.682 CB 1.761 108 residues pruned to eliminate duplicates Z: 42 22.746 2.004 0.349 0.553 0.902 0.561 CB 1.383 42 residues pruned to eliminate duplicates Z: 39 23.733 2.053 0.332 0.582 0.921 0.500 CB 1.412 39 residues pruned to eliminate duplicates Z: 114 81.251 2.313 0.811 0.666 0.903 0.637 CB 1.734 114 residues pruned to eliminate duplicates Z: 13 23.494 2.205 0.379 0.813 1.000 0.750 CB 1.699 13 residues pruned to eliminate duplicates Z: 62 41.277 2.159 0.594 0.576 0.934 0.689 CB 1.528 62 residues pruned to eliminate duplicates Z: 50 21.416 1.961 0.349 0.516 0.857 0.469 CB 1.329 50 residues pruned to eliminate duplicates Z: 24 39.515 2.364 0.948 0.658 0.913 0.478 CA 1.691 24 residues pruned to eliminate duplicates Z: 42 27.084 2.083 0.501 0.535 0.902 0.488 CB 1.447 42 residues pruned to eliminate duplicates Z: 76 49.694 2.191 0.740 0.595 0.880 0.560 CB 1.562 76 residues pruned to eliminate duplicates Z: 78 91.402 2.454 1.070 0.680 0.935 0.675 CB 1.859 78 residues pruned to eliminate duplicates Z: 114 79.932 2.299 0.778 0.659 0.938 0.619 CB 1.692 114 residues pruned to eliminate duplicates Z: 56 39.285 2.162 0.635 0.631 0.891 0.509 CB 1.488 56 residues pruned to eliminate duplicates Z: 75 90.112 2.456 1.002 0.715 0.932 0.743 CB 1.881 75 residues pruned to eliminate duplicates Z: 89 87.321 2.412 0.921 0.690 0.920 0.659 CB 1.835 89 residues pruned to eliminate duplicates Z: 74 93.054 2.468 1.042 0.717 0.932 0.658 CB 1.907 74 residues pruned to eliminate duplicates Z: 76 93.775 2.457 1.011 0.713 0.960 0.707 CB 1.882 76 residues pruned to eliminate duplicates Z: 14 50.552 2.451 1.376 0.897 1.000 0.769 CA 1.723 14 residues pruned to eliminate duplicates Z: 77 96.530 2.433 1.118 0.695 0.974 0.711 CB 1.847 77 residues pruned to eliminate duplicates Z: 114 78.882 2.311 0.804 0.661 0.903 0.664 CB 1.698 114 residues pruned to eliminate duplicates Z: 75 89.211 2.470 0.963 0.709 0.946 0.622 CB 1.871 75 residues pruned to eliminate duplicates Z: 111 87.548 2.349 0.807 0.679 0.964 0.645 CB 1.731 111 residues pruned to eliminate duplicates Z: 53 45.211 2.187 0.709 0.644 0.904 0.615 CB 1.621 53 residues pruned to eliminate duplicates Z: 74 92.962 2.479 1.049 0.693 0.932 0.644 CB 1.927 74 residues pruned to eliminate duplicates Z: 76 52.672 2.204 0.770 0.582 0.907 0.547 CB 1.589 76 residues pruned to eliminate duplicates Z: 114 82.215 2.306 0.807 0.668 0.920 0.664 CB 1.726 114 residues pruned to eliminate duplicates Z: 113 80.352 2.296 0.885 0.658 0.902 0.634 CB 1.679 113 residues pruned to eliminate duplicates Z: 112 85.418 2.323 0.842 0.676 0.928 0.658 CB 1.737 112 residues pruned to eliminate duplicates Z: 81 86.358 2.424 0.993 0.666 0.938 0.688 CB 1.829 81 residues pruned to eliminate duplicates Z: 114 82.563 2.311 0.777 0.670 0.947 0.655 CB 1.708 114 residues pruned to eliminate duplicates Z: 112 86.650 2.322 0.861 0.666 0.946 0.595 CB 1.726 112 residues pruned to eliminate duplicates Z: 114 82.914 2.315 0.823 0.666 0.920 0.673 CB 1.723 114 residues pruned to eliminate duplicates Z: 74 91.098 2.471 1.001 0.704 0.932 0.671 CA 1.922 74 residues pruned to eliminate duplicates Z: 111 85.094 2.327 0.801 0.684 0.936 0.682 CB 1.746 111 residues pruned to eliminate duplicates Z: 110 82.641 2.325 0.738 0.685 0.927 0.706 CB 1.784 110 residues pruned to eliminate duplicates Z: 75 94.059 2.456 1.019 0.713 0.959 0.716 CB 1.895 75 residues pruned to eliminate duplicates Z: 112 82.956 2.307 0.855 0.658 0.937 0.658 CB 1.695 112 residues pruned to eliminate duplicates Z: 74 89.932 2.441 1.015 0.690 0.959 0.658 CB 1.876 74 residues pruned to eliminate duplicates Z: 77 94.014 2.424 1.070 0.710 0.961 0.763 CB 1.849 77 residues pruned to eliminate duplicates Z: 71 100.265 2.517 1.098 0.717 0.957 0.700 CB 1.949 71 residues pruned to eliminate duplicates Z: 110 81.265 2.309 0.791 0.682 0.936 0.679 CB 1.701 110 residues pruned to eliminate duplicates Z: 76 84.914 2.438 0.974 0.717 0.893 0.667 CB 1.873 76 residues pruned to eliminate duplicates Z: 75 95.357 2.449 1.036 0.709 0.973 0.622 CB 1.891 75 residues pruned to eliminate duplicates Z: 59 74.675 2.448 0.836 0.711 0.948 0.603 CB 1.900 59 residues pruned to eliminate duplicates Z: 75 91.389 2.444 0.963 0.719 0.959 0.676 CB 1.893 75 residues pruned to eliminate duplicates Z: 59 86.091 2.495 1.160 0.695 0.931 0.741 CA 1.885 59 residues pruned to eliminate duplicates Z: 38 58.467 2.409 0.937 0.716 0.919 0.595 CB 1.844 38 residues pruned to eliminate duplicates Z: 108 82.341 2.321 0.853 0.683 0.907 0.682 CB 1.725 108 residues pruned to eliminate duplicates Z: 51 85.707 2.485 0.980 0.808 0.960 0.820 CB 1.962 51 residues pruned to eliminate duplicates Z: 110 89.028 2.343 0.873 0.671 0.954 0.651 CB 1.739 110 residues pruned to eliminate duplicates Z: 43 72.160 2.428 1.050 0.781 0.929 0.619 CB 1.880 43 residues pruned to eliminate duplicates Z: 94 87.573 2.389 0.907 0.669 0.935 0.645 CB 1.824 94 residues pruned to eliminate duplicates Z: 74 94.797 2.445 1.113 0.720 0.932 0.671 CB 1.889 74 residues pruned to eliminate duplicates Z: 52 87.779 2.457 1.015 0.796 1.000 0.706 CA 1.916 52 residues pruned to eliminate duplicates Z: 114 85.694 2.304 0.868 0.670 0.929 0.584 CB 1.724 114 residues pruned to eliminate duplicates Z: 110 88.362 2.327 0.793 0.703 0.972 0.679 CB 1.734 110 residues pruned to eliminate duplicates Z: 44 66.499 2.369 0.955 0.757 0.930 0.674 CA 1.872 44 residues pruned to eliminate duplicates Z: 53 76.331 2.412 0.923 0.775 0.962 0.635 CB 1.861 53 residues pruned to eliminate duplicates Z: 38 59.393 2.354 1.091 0.684 0.946 0.649 CB 1.772 38 residues pruned to eliminate duplicates Z: 75 95.593 2.465 1.033 0.722 0.959 0.622 CB 1.892 75 residues pruned to eliminate duplicates Z: 42 68.001 2.404 0.990 0.776 0.927 0.561 CA 1.876 42 residues pruned to eliminate duplicates Z: 110 87.451 2.346 0.796 0.672 0.963 0.633 CB 1.761 110 residues pruned to eliminate duplicates Z: 37 65.157 2.424 1.017 0.762 0.944 0.583 CB 1.863 20 residues pruned to eliminate duplicates Z: 6 3.897 1.532 0.918 0.414 0.800 0.600 CB 0.812 Z: 19 29.126 2.151 0.520 0.792 0.944 0.722 CB 1.721 19 residues pruned to eliminate duplicates Z: 80 87.499 2.419 0.980 0.677 0.949 0.646 CB 1.840 80 residues pruned to eliminate duplicates Z: 37 66.395 2.431 1.087 0.731 0.972 0.500 CB 1.822 38 residues pruned to eliminate duplicates Z: 15 32.292 2.310 0.637 0.879 0.929 0.714 CA 1.783 15 residues pruned to eliminate duplicates Z: 37 65.743 2.427 1.149 0.707 0.944 0.583 CB 1.844 37 residues pruned to eliminate duplicates Z: 38 63.401 2.373 1.183 0.697 0.919 0.730 CB 1.830 38 residues pruned to eliminate duplicates Z: 109 77.083 2.278 0.802 0.639 0.935 0.620 CB 1.697 109 residues pruned to eliminate duplicates Z: 64 66.127 2.381 0.933 0.607 0.937 0.540 CB 1.747 64 residues pruned to eliminate duplicates Z: 111 84.892 2.322 0.779 0.683 0.964 0.618 CB 1.718 111 residues pruned to eliminate duplicates Z: 81 82.747 2.411 0.938 0.697 0.925 0.575 CB 1.788 81 residues pruned to eliminate duplicates Z: 75 86.417 2.446 0.934 0.715 0.946 0.635 CB 1.847 75 residues pruned to eliminate duplicates Z: 38 64.157 2.415 1.098 0.705 0.946 0.541 CB 1.826 38 residues pruned to eliminate duplicates Z: 37 63.282 2.426 1.035 0.708 0.944 0.667 CB 1.872 37 residues pruned to eliminate duplicates Z: 37 62.715 2.423 1.061 0.704 0.944 0.556 CB 1.841 37 residues pruned to eliminate duplicates Z: 49 71.304 2.429 1.038 0.698 0.938 0.708 CB 1.851 49 residues pruned to eliminate duplicates Z: 75 97.420 2.447 1.087 0.717 0.973 0.500 CB 1.873 75 residues pruned to eliminate duplicates 342 residues left after pruning, divided into chains as follows: A: 67 B: 78 C: 13 D: 36 E: 41 F: 34 G: 61 H: 12 CC for partial structure against native data = 38.58 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.529, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.596, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.709, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.715, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.725, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.729, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.733, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.735, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.737, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.737, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1858 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 433 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 68.946 2.522 1.218 0.942 1.000 0.850 CA 1.912 B: 20 64.564 2.540 1.190 0.951 0.947 0.737 CA 1.937 20 residues pruned to eliminate duplicates C: 21 72.397 2.509 1.430 0.903 1.000 0.750 CA 1.892 21 residues pruned to eliminate duplicates D: 20 72.250 2.597 1.303 0.918 1.000 0.789 CA 1.955 20 residues pruned to eliminate duplicates E: 9 13.432 2.574 -0.302 0.873 1.000 0.750 CB 1.925 F: 21 60.802 2.506 1.181 0.899 0.950 0.800 CA 1.872 21 residues pruned to eliminate duplicates G: 21 62.606 2.515 1.095 0.924 1.000 0.800 CA 1.867 21 residues pruned to eliminate duplicates H: 17 26.482 2.169 0.540 0.779 0.938 0.500 CB 1.653 9 residues pruned to eliminate duplicates I: 21 59.937 2.499 1.095 0.909 1.000 0.850 CA 1.818 21 residues pruned to eliminate duplicates J: 20 71.254 2.556 1.300 0.950 1.000 0.684 CA 1.918 20 residues pruned to eliminate duplicates K: 20 57.392 2.512 1.167 0.914 0.947 0.579 CA 1.806 20 residues pruned to eliminate duplicates L: 13 24.874 2.334 0.238 0.886 1.000 0.750 CA 1.793 12 residues pruned to eliminate duplicates M: 20 72.583 2.574 1.347 0.922 1.000 0.789 CA 1.938 20 residues pruned to eliminate duplicates N: 13 23.568 2.365 0.268 0.849 0.917 0.667 CA 1.835 13 residues pruned to eliminate duplicates O: 13 29.872 2.122 0.589 0.900 1.000 0.583 O 1.826 P: 12 44.199 2.429 1.375 0.866 1.000 0.727 CA 1.690 Q: 20 60.964 2.514 1.035 0.954 1.000 0.947 CA 1.881 20 residues pruned to eliminate duplicates R: 16 26.299 2.243 0.278 0.882 1.000 0.800 CB 1.713 16 residues pruned to eliminate duplicates S: 21 55.905 2.411 1.084 0.924 0.950 0.850 CA 1.839 21 residues pruned to eliminate duplicates T: 21 65.800 2.503 1.221 0.918 1.000 0.800 CA 1.867 21 residues pruned to eliminate duplicates U: 11 45.789 2.426 1.509 0.924 1.000 1.000 CA 1.671 11 residues pruned to eliminate duplicates V: 17 21.494 2.014 0.612 0.863 0.812 0.500 CB 1.494 W: 14 53.149 2.442 1.339 0.930 1.000 0.846 CA 1.804 12 residues pruned to eliminate duplicates X: 18 24.123 2.074 0.443 0.854 0.941 0.647 CB 1.534 18 residues pruned to eliminate duplicates Y: 12 20.309 2.166 0.623 0.729 0.818 0.727 O 1.732 12 residues pruned to eliminate duplicates Z: 20 49.836 2.299 0.977 0.926 1.000 0.684 CB 1.763 Z: 21 60.846 2.449 1.226 0.918 0.950 0.800 CB 1.852 21 residues pruned to eliminate duplicates Z: 15 38.435 2.264 1.050 0.880 1.000 0.714 CA 1.603 15 residues pruned to eliminate duplicates Z: 19 27.073 2.229 0.580 0.682 0.944 0.556 CB 1.623 Z: 20 47.532 2.283 0.981 0.934 1.000 0.789 CB 1.682 20 residues pruned to eliminate duplicates Z: 14 24.151 2.111 0.685 0.883 0.846 0.538 CB 1.610 14 residues pruned to eliminate duplicates Z: 20 53.601 2.299 1.146 0.952 1.000 0.842 CB 1.717 20 residues pruned to eliminate duplicates Z: 10 19.666 2.230 0.402 0.816 1.000 0.556 CB 1.593 10 residues pruned to eliminate duplicates Z: 23 34.936 2.233 0.745 0.911 0.955 0.455 CB 1.420 Z: 21 44.220 2.349 0.795 0.923 1.000 0.500 CB 1.648 23 residues pruned to eliminate duplicates Z: 7 6.960 1.809 0.665 0.503 0.667 0.333 C 1.410 Z: 21 35.487 2.232 0.935 0.911 0.900 0.650 CB 1.447 21 residues pruned to eliminate duplicates Z: 20 69.445 2.547 1.272 0.896 1.000 0.632 CB 1.972 20 residues pruned to eliminate duplicates Z: 21 33.876 2.238 0.800 0.942 0.850 0.350 CB 1.534 21 residues pruned to eliminate duplicates Z: 13 19.664 2.266 0.342 0.871 0.833 0.667 CB 1.634 13 residues pruned to eliminate duplicates Z: 14 43.479 2.410 1.444 0.834 0.923 0.615 CA 1.663 14 residues pruned to eliminate duplicates Z: 23 35.267 2.223 0.904 0.895 0.909 0.455 CB 1.401 22 residues pruned to eliminate duplicates Z: 17 27.043 2.170 0.361 0.872 1.000 0.688 CA 1.668 17 residues pruned to eliminate duplicates Z: 16 37.428 2.339 1.152 0.807 1.000 0.733 CA 1.469 14 residues pruned to eliminate duplicates Z: 15 39.579 2.338 1.219 0.876 1.000 0.714 CA 1.482 15 residues pruned to eliminate duplicates Z: 14 33.239 2.254 0.817 0.927 1.000 0.769 CB 1.577 Z: 20 51.498 2.311 1.032 0.937 1.000 0.474 CB 1.751 20 residues pruned to eliminate duplicates Z: 14 42.043 2.466 1.118 0.866 1.000 0.769 CA 1.634 15 residues pruned to eliminate duplicates Z: 17 31.130 2.077 0.666 0.896 1.000 0.625 CB 1.612 17 residues pruned to eliminate duplicates Z: 10 11.952 1.859 0.314 0.886 1.000 0.889 CB 1.177 Z: 15 28.137 2.177 0.784 0.886 0.929 0.857 CB 1.504 15 residues pruned to eliminate duplicates Z: 19 20.779 2.177 0.422 0.653 0.889 0.611 CB 1.543 18 residues pruned to eliminate duplicates Z: 66 46.091 2.111 0.599 0.720 0.938 0.631 CB 1.480 42 residues pruned to eliminate duplicates Z: 14 30.472 2.149 0.655 0.899 0.923 0.385 CA 1.841 14 residues pruned to eliminate duplicates Z: 21 45.897 2.230 1.016 0.912 0.950 0.750 CB 1.702 21 residues pruned to eliminate duplicates Z: 20 41.091 2.257 0.897 0.911 0.947 0.842 CB 1.648 20 residues pruned to eliminate duplicates Z: 17 31.060 2.187 0.578 0.842 1.000 0.688 CA 1.676 17 residues pruned to eliminate duplicates Z: 13 29.671 2.190 0.598 0.885 0.917 0.833 CA 1.927 13 residues pruned to eliminate duplicates Z: 18 28.580 2.209 0.614 0.688 1.000 0.706 CB 1.637 18 residues pruned to eliminate duplicates Z: 21 56.656 2.498 0.984 0.911 1.000 0.800 CA 1.812 21 residues pruned to eliminate duplicates Z: 21 45.445 2.283 0.867 0.919 0.950 0.650 CB 1.768 21 residues pruned to eliminate duplicates Z: 13 23.825 2.278 0.854 0.922 0.750 0.583 CB 1.527 13 residues pruned to eliminate duplicates Z: 15 30.853 2.380 0.919 0.881 0.857 0.714 CA 1.525 15 residues pruned to eliminate duplicates Z: 13 24.190 2.112 0.487 0.913 0.917 0.833 O 1.716 13 residues pruned to eliminate duplicates Z: 18 28.568 2.072 0.565 0.886 0.941 0.765 CB 1.639 18 residues pruned to eliminate duplicates Z: 21 42.009 2.350 0.817 0.932 0.950 0.600 CB 1.617 21 residues pruned to eliminate duplicates Z: 15 28.245 2.151 0.663 0.857 1.000 0.857 CA 1.555 15 residues pruned to eliminate duplicates Z: 14 28.410 2.120 0.757 0.873 0.923 0.615 CA 1.669 14 residues pruned to eliminate duplicates Z: 16 30.944 2.233 0.523 0.869 1.000 0.533 CB 1.716 16 residues pruned to eliminate duplicates Z: 20 53.981 2.310 1.237 0.937 1.000 0.684 CB 1.667 20 residues pruned to eliminate duplicates Z: 21 35.143 2.218 0.964 0.852 0.850 0.650 CB 1.569 21 residues pruned to eliminate duplicates Z: 18 29.532 2.207 0.733 0.705 0.941 0.706 CB 1.650 18 residues pruned to eliminate duplicates Z: 11 23.623 2.219 0.393 0.900 0.900 0.800 CB 1.917 11 residues pruned to eliminate duplicates Z: 16 26.074 2.209 0.370 0.830 1.000 0.733 CB 1.672 16 residues pruned to eliminate duplicates Z: 15 38.716 2.364 1.189 0.844 0.929 0.571 CA 1.602 15 residues pruned to eliminate duplicates Z: 13 31.675 2.130 0.700 0.884 1.000 0.833 O 1.825 13 residues pruned to eliminate duplicates Z: 21 40.968 2.312 0.649 0.926 0.950 0.800 CB 1.773 20 residues pruned to eliminate duplicates Z: 19 56.141 2.489 1.310 0.939 0.889 0.778 CA 1.799 19 residues pruned to eliminate duplicates Z: 22 48.413 2.259 0.955 0.936 0.952 0.857 CA 1.749 22 residues pruned to eliminate duplicates Z: 21 74.109 2.500 1.382 0.951 1.000 0.700 CA 1.918 21 residues pruned to eliminate duplicates Z: 7 7.095 1.926 0.159 0.846 0.833 0.667 CB 1.157 Z: 22 32.971 2.235 0.560 0.890 1.000 0.762 CB 1.484 22 residues pruned to eliminate duplicates Z: 20 81.440 2.572 1.600 0.926 1.000 0.737 CB 1.958 20 residues pruned to eliminate duplicates Z: 18 25.541 2.082 0.580 0.799 0.941 0.588 CB 1.540 18 residues pruned to eliminate duplicates Z: 32 32.905 2.123 0.592 0.652 0.968 0.871 CB 1.569 32 residues pruned to eliminate duplicates Z: 20 50.112 2.289 0.998 0.943 1.000 0.684 CB 1.743 20 residues pruned to eliminate duplicates Z: 15 29.570 2.358 0.384 0.846 1.000 0.929 CB 1.801 15 residues pruned to eliminate duplicates Z: 16 28.271 2.137 0.655 0.870 0.933 0.467 CB 1.613 16 residues pruned to eliminate duplicates Z: 16 27.177 2.168 0.490 0.874 0.933 0.667 CA 1.694 16 residues pruned to eliminate duplicates Z: 13 43.261 2.315 1.382 0.928 1.000 0.833 CB 1.586 13 residues pruned to eliminate duplicates Z: 14 34.744 2.267 0.872 0.914 1.000 0.846 CB 1.605 14 residues pruned to eliminate duplicates Z: 13 16.477 2.120 0.479 0.792 0.833 0.583 CB 1.409 Z: 23 26.410 2.180 0.265 0.910 1.000 0.773 CB 1.448 23 residues pruned to eliminate duplicates Z: 21 30.369 2.288 0.378 0.944 0.950 0.850 CB 1.570 21 residues pruned to eliminate duplicates Z: 17 33.224 2.160 0.681 0.896 1.000 0.812 CB 1.639 17 residues pruned to eliminate duplicates Z: 14 35.891 2.430 1.090 0.869 0.846 0.538 CA 1.692 14 residues pruned to eliminate duplicates Z: 15 29.424 2.226 0.637 0.918 0.929 0.500 CB 1.639 15 residues pruned to eliminate duplicates Z: 12 22.388 1.889 0.573 0.925 1.000 0.909 N 1.594 12 residues pruned to eliminate duplicates Z: 15 32.780 2.193 1.017 0.903 0.929 0.714 CB 1.520 15 residues pruned to eliminate duplicates Z: 7 7.049 1.930 0.348 0.796 0.833 0.500 CA 1.024 Z: 16 25.742 2.229 0.370 0.865 0.933 0.733 CB 1.708 16 residues pruned to eliminate duplicates Z: 18 24.485 2.025 0.511 0.845 0.941 0.588 CB 1.533 18 residues pruned to eliminate duplicates Z: 13 20.199 2.042 0.432 0.824 1.000 0.750 CB 1.506 Z: 15 28.972 2.269 0.928 0.865 0.929 0.929 CA 1.397 15 residues pruned to eliminate duplicates Z: 15 38.089 2.334 1.050 0.872 1.000 0.643 CA 1.551 15 residues pruned to eliminate duplicates Z: 17 29.296 2.090 0.842 0.854 0.875 0.625 CB 1.606 17 residues pruned to eliminate duplicates Z: 15 29.130 2.139 0.716 0.889 1.000 0.786 CA 1.528 15 residues pruned to eliminate duplicates Z: 14 29.336 2.149 0.640 0.886 0.923 0.538 CA 1.805 14 residues pruned to eliminate duplicates Z: 6 10.335 1.998 0.214 0.862 1.000 0.800 CB 1.399 7 residues pruned to eliminate duplicates Z: 18 16.737 1.905 0.167 0.831 1.000 0.647 CB 1.372 Z: 18 21.115 1.994 0.475 0.826 0.941 0.647 CB 1.395 18 residues pruned to eliminate duplicates Z: 14 12.497 2.003 0.295 0.701 0.846 0.538 CB 1.314 Z: 24 35.937 2.186 0.603 0.910 1.000 0.870 CB 1.517 24 residues pruned to eliminate duplicates Z: 22 28.345 2.195 0.602 0.892 0.905 0.619 CB 1.398 22 residues pruned to eliminate duplicates Z: 12 19.039 2.145 0.436 0.847 0.909 0.818 CB 1.522 12 residues pruned to eliminate duplicates Z: 23 35.541 2.225 0.879 0.906 0.955 0.318 CB 1.351 23 residues pruned to eliminate duplicates Z: 23 41.952 2.281 0.728 0.930 1.000 0.818 CB 1.587 23 residues pruned to eliminate duplicates Z: 13 24.407 2.185 0.596 0.866 0.917 0.750 CB 1.613 12 residues pruned to eliminate duplicates Z: 22 36.758 2.280 0.758 0.915 0.952 0.762 CB 1.485 22 residues pruned to eliminate duplicates Z: 20 54.811 2.302 1.124 0.945 1.000 0.632 CB 1.780 20 residues pruned to eliminate duplicates Z: 15 32.498 2.158 0.897 0.876 1.000 0.786 CB 1.542 15 residues pruned to eliminate duplicates Z: 12 14.517 2.004 0.358 0.892 0.909 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 6 4.286 1.745 0.231 0.691 0.800 0.600 CB 0.937 6 residues pruned to eliminate duplicates Z: 21 46.773 2.310 0.786 0.930 1.000 0.850 CA 1.772 21 residues pruned to eliminate duplicates Z: 20 44.005 2.283 1.069 0.876 0.947 0.421 CB 1.639 20 residues pruned to eliminate duplicates Z: 10 21.191 2.009 0.465 0.931 1.000 0.889 CB 1.677 10 residues pruned to eliminate duplicates Z: 15 29.895 2.168 0.872 0.889 0.929 0.786 CA 1.526 15 residues pruned to eliminate duplicates Z: 17 29.347 2.063 0.738 0.879 0.938 0.750 CB 1.583 17 residues pruned to eliminate duplicates Z: 11 14.631 1.746 0.451 0.899 1.000 0.800 CB 1.306 Z: 12 17.028 2.025 0.356 0.856 0.909 0.727 CA 1.517 11 residues pruned to eliminate duplicates Z: 13 17.301 2.052 0.212 0.820 1.000 0.833 CA 1.521 13 residues pruned to eliminate duplicates Z: 14 39.207 2.283 1.570 0.893 1.000 0.692 CA 1.330 14 residues pruned to eliminate duplicates Z: 13 31.805 2.244 0.752 0.863 0.917 0.417 CB 1.869 13 residues pruned to eliminate duplicates Z: 14 27.486 2.237 0.551 0.891 0.923 0.846 CB 1.712 14 residues pruned to eliminate duplicates Z: 11 15.505 1.880 0.271 0.890 1.000 0.800 CB 1.476 11 residues pruned to eliminate duplicates Z: 13 21.284 2.053 0.426 0.791 1.000 0.583 CA 1.626 13 residues pruned to eliminate duplicates Z: 17 22.653 2.023 0.500 0.881 0.875 0.812 CB 1.544 17 residues pruned to eliminate duplicates Z: 11 15.413 1.859 0.228 0.918 1.000 1.000 CB 1.505 11 residues pruned to eliminate duplicates Z: 17 26.846 2.147 0.564 0.807 0.938 0.688 CB 1.631 17 residues pruned to eliminate duplicates Z: 12 16.758 2.047 0.347 0.803 1.000 0.455 CB 1.406 12 residues pruned to eliminate duplicates Z: 22 24.557 1.913 0.722 0.912 0.857 0.619 CB 1.344 Z: 19 22.721 2.070 0.578 0.760 0.889 0.722 CB 1.464 19 residues pruned to eliminate duplicates Z: 12 13.122 1.792 0.484 0.900 0.909 0.909 CB 1.169 12 residues pruned to eliminate duplicates Z: 22 34.916 2.211 0.485 0.928 0.952 0.905 CA 1.706 22 residues pruned to eliminate duplicates Z: 23 29.198 2.220 0.756 0.880 0.864 0.636 CB 1.340 23 residues pruned to eliminate duplicates Z: 13 12.374 2.046 0.450 0.684 0.750 0.583 CB 1.356 13 residues pruned to eliminate duplicates Z: 12 15.552 1.790 0.487 0.869 1.000 0.727 CB 1.288 10 residues pruned to eliminate duplicates Z: 14 23.097 2.086 0.574 0.808 0.923 0.846 CB 1.616 14 residues pruned to eliminate duplicates Z: 13 43.184 2.320 1.251 0.939 1.000 0.917 CB 1.659 13 residues pruned to eliminate duplicates Z: 12 19.584 2.126 0.378 0.813 1.000 0.818 CB 1.534 12 residues pruned to eliminate duplicates Z: 12 14.447 1.791 0.303 0.898 1.000 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 21 48.387 2.287 0.864 0.930 1.000 0.650 CB 1.775 21 residues pruned to eliminate duplicates Z: 14 32.297 2.321 0.552 0.911 1.000 0.692 CA 1.762 14 residues pruned to eliminate duplicates Z: 12 15.460 1.910 0.382 0.871 1.000 0.909 CB 1.288 12 residues pruned to eliminate duplicates Z: 14 24.389 2.299 0.314 0.866 0.923 0.615 CB 1.776 14 residues pruned to eliminate duplicates Z: 20 33.340 2.244 0.982 0.683 0.947 0.789 CA 1.534 15 residues pruned to eliminate duplicates Z: 22 32.533 1.937 1.033 0.931 0.952 0.476 CB 1.323 22 residues pruned to eliminate duplicates Z: 20 60.271 2.486 1.183 0.942 0.947 0.737 CA 1.864 20 residues pruned to eliminate duplicates Z: 7 15.392 2.050 0.538 0.825 1.000 0.833 CB 1.505 6 residues pruned to eliminate duplicates Z: 12 13.141 1.779 0.218 0.919 1.000 0.909 CB 1.289 12 residues pruned to eliminate duplicates Z: 14 20.370 2.094 0.498 0.740 0.923 0.615 CA 1.574 14 residues pruned to eliminate duplicates Z: 6 10.793 1.884 0.315 0.842 1.000 0.800 CB 1.451 6 residues pruned to eliminate duplicates Z: 15 13.391 1.870 0.414 0.794 0.786 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 14 22.515 2.228 0.411 0.824 0.923 0.846 CB 1.626 14 residues pruned to eliminate duplicates Z: 10 12.523 1.887 0.221 0.859 1.000 0.778 CB 1.333 10 residues pruned to eliminate duplicates Z: 11 15.128 1.853 0.190 0.886 1.000 0.800 CB 1.566 11 residues pruned to eliminate duplicates Z: 20 68.522 2.542 1.322 0.953 0.947 0.579 CA 1.936 20 residues pruned to eliminate duplicates Z: 55 42.912 2.154 0.645 0.630 0.944 0.593 CB 1.544 53 residues pruned to eliminate duplicates Z: 13 16.287 2.050 0.288 0.799 0.917 0.667 CB 1.496 13 residues pruned to eliminate duplicates Z: 23 39.057 2.186 1.001 0.856 1.000 0.545 CB 1.403 23 residues pruned to eliminate duplicates Z: 111 77.394 2.295 0.793 0.669 0.909 0.518 CB 1.688 114 residues pruned to eliminate duplicates Z: 21 31.405 1.958 0.866 0.935 0.950 0.600 CB 1.410 21 residues pruned to eliminate duplicates Z: 13 16.789 1.938 0.386 0.825 1.000 0.667 CA 1.362 13 residues pruned to eliminate duplicates Z: 15 26.483 2.163 0.620 0.887 1.000 0.786 CB 1.456 14 residues pruned to eliminate duplicates Z: 22 45.516 2.230 0.836 0.914 1.000 0.762 CA 1.716 21 residues pruned to eliminate duplicates Z: 13 18.746 2.093 0.353 0.785 1.000 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 18 19.459 1.987 0.496 0.797 0.941 0.529 CB 1.300 7 residues pruned to eliminate duplicates Z: 21 31.468 1.955 1.067 0.930 0.950 0.400 CB 1.282 22 residues pruned to eliminate duplicates Z: 21 40.697 2.276 0.844 0.887 0.950 0.900 CB 1.645 21 residues pruned to eliminate duplicates Z: 19 20.105 1.954 0.440 0.715 0.889 0.611 CB 1.558 19 residues pruned to eliminate duplicates Z: 17 23.093 2.208 0.585 0.687 0.875 0.562 CB 1.588 17 residues pruned to eliminate duplicates Z: 16 21.603 2.084 0.507 0.869 0.867 0.600 CB 1.497 16 residues pruned to eliminate duplicates Z: 15 28.994 2.381 0.302 0.887 1.000 0.714 CB 1.802 15 residues pruned to eliminate duplicates Z: 9 11.512 1.797 0.466 0.871 0.875 0.750 CB 1.287 9 residues pruned to eliminate duplicates Z: 9 13.946 1.875 0.321 0.892 1.000 0.875 CB 1.430 9 residues pruned to eliminate duplicates Z: 14 47.851 2.418 1.344 0.881 1.000 0.846 CA 1.695 14 residues pruned to eliminate duplicates Z: 47 57.083 2.287 0.838 0.807 0.978 0.630 CB 1.565 47 residues pruned to eliminate duplicates Z: 12 28.161 2.216 0.977 0.804 1.000 0.818 CA 1.486 12 residues pruned to eliminate duplicates Z: 51 33.898 2.080 0.629 0.580 0.900 0.560 CB 1.456 51 residues pruned to eliminate duplicates Z: 21 25.780 1.944 0.743 0.948 0.900 0.700 CB 1.306 21 residues pruned to eliminate duplicates Z: 22 44.653 2.204 0.919 0.927 0.952 0.714 CB 1.695 22 residues pruned to eliminate duplicates Z: 14 26.139 2.234 0.428 0.879 0.923 0.846 CB 1.786 14 residues pruned to eliminate duplicates Z: 11 23.453 1.916 0.756 0.933 1.000 0.900 N 1.538 11 residues pruned to eliminate duplicates Z: 15 34.501 2.084 1.249 0.843 1.000 0.786 CB 1.466 15 residues pruned to eliminate duplicates Z: 12 13.939 1.857 0.428 0.826 1.000 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 13 12.154 1.800 0.149 0.889 1.000 0.750 CB 1.222 13 residues pruned to eliminate duplicates Z: 17 18.886 1.992 0.393 0.830 0.938 0.812 CB 1.365 17 residues pruned to eliminate duplicates Z: 16 20.964 2.173 0.349 0.697 0.933 0.733 CB 1.653 16 residues pruned to eliminate duplicates Z: 11 22.904 1.949 0.697 0.936 1.000 0.700 CB 1.525 11 residues pruned to eliminate duplicates Z: 21 25.748 1.945 0.705 0.941 0.950 0.700 CB 1.268 21 residues pruned to eliminate duplicates Z: 49 54.180 2.265 0.684 0.819 0.979 0.646 CB 1.588 49 residues pruned to eliminate duplicates Z: 92 60.073 2.215 0.763 0.589 0.912 0.604 CB 1.623 92 residues pruned to eliminate duplicates Z: 13 19.202 2.005 0.516 0.811 1.000 0.750 CB 1.391 13 residues pruned to eliminate duplicates Z: 20 26.210 2.190 0.407 0.873 0.895 0.737 CB 1.589 20 residues pruned to eliminate duplicates Z: 21 32.200 1.974 0.935 0.949 1.000 0.500 CB 1.301 21 residues pruned to eliminate duplicates Z: 12 21.139 1.841 0.753 0.929 1.000 0.727 N 1.381 12 residues pruned to eliminate duplicates Z: 22 21.722 1.907 0.499 0.907 0.905 0.810 CB 1.303 22 residues pruned to eliminate duplicates Z: 19 19.548 1.941 0.363 0.900 1.000 0.833 CB 1.244 19 residues pruned to eliminate duplicates Z: 13 13.683 1.697 0.356 0.908 1.000 0.750 CB 1.219 12 residues pruned to eliminate duplicates Z: 13 12.457 1.930 0.486 0.799 0.917 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 13 20.897 2.015 0.641 0.795 1.000 0.750 CB 1.409 13 residues pruned to eliminate duplicates Z: 19 20.537 1.915 0.374 0.913 1.000 0.944 CB 1.302 19 residues pruned to eliminate duplicates Z: 17 25.051 2.203 0.467 0.726 1.000 0.688 CB 1.581 17 residues pruned to eliminate duplicates Z: 54 41.119 2.141 0.583 0.621 0.962 0.623 CB 1.545 54 residues pruned to eliminate duplicates Z: 10 15.198 2.232 0.288 0.680 0.889 0.556 CB 1.680 10 residues pruned to eliminate duplicates Z: 10 20.924 2.018 0.707 0.898 0.889 0.778 CB 1.629 10 residues pruned to eliminate duplicates Z: 14 10.217 1.872 0.146 0.798 0.923 0.538 CB 1.102 14 residues pruned to eliminate duplicates Z: 39 42.505 2.166 0.747 0.817 0.947 0.553 CB 1.461 39 residues pruned to eliminate duplicates Z: 13 18.624 1.730 0.562 0.920 1.000 0.917 CA 1.401 13 residues pruned to eliminate duplicates Z: 11 11.772 1.740 0.261 0.906 1.000 0.900 CB 1.207 11 residues pruned to eliminate duplicates Z: 11 11.514 1.829 0.375 0.854 1.000 0.600 CB 1.069 11 residues pruned to eliminate duplicates Z: 35 46.245 2.364 1.002 0.649 0.853 0.471 CB 1.709 35 residues pruned to eliminate duplicates Z: 10 12.270 1.555 0.564 0.855 1.000 0.889 N 1.241 Z: 37 42.752 2.196 0.853 0.747 0.944 0.472 CB 1.487 38 residues pruned to eliminate duplicates Z: 14 26.734 2.173 0.494 0.839 1.000 0.923 CB 1.706 14 residues pruned to eliminate duplicates Z: 23 31.293 2.189 0.863 0.882 0.909 0.545 CB 1.302 23 residues pruned to eliminate duplicates Z: 10 11.963 1.814 0.186 0.884 1.000 0.889 CB 1.339 10 residues pruned to eliminate duplicates Z: 19 16.452 1.914 0.279 0.766 1.000 0.556 CB 1.251 18 residues pruned to eliminate duplicates Z: 12 13.871 1.782 0.542 0.925 1.000 0.909 CB 1.068 12 residues pruned to eliminate duplicates Z: 42 53.627 2.398 0.685 0.701 0.951 0.707 CA 1.815 42 residues pruned to eliminate duplicates Z: 23 35.371 2.277 0.492 0.915 1.000 0.909 CB 1.569 23 residues pruned to eliminate duplicates Z: 12 26.744 2.211 0.716 0.915 1.000 0.909 CB 1.502 12 residues pruned to eliminate duplicates Z: 12 26.919 2.448 0.362 0.891 0.909 0.727 CB 1.925 12 residues pruned to eliminate duplicates Z: 21 28.009 1.944 0.724 0.938 1.000 0.700 CB 1.299 21 residues pruned to eliminate duplicates Z: 6 10.207 1.807 0.662 0.876 0.800 0.800 CA 1.381 6 residues pruned to eliminate duplicates Z: 16 30.050 2.185 0.536 0.875 1.000 0.733 CA 1.681 16 residues pruned to eliminate duplicates Z: 6 5.619 1.778 0.347 0.720 0.800 0.600 CB 1.075 6 residues pruned to eliminate duplicates Z: 22 38.060 2.301 0.932 0.924 0.905 0.429 CB 1.450 22 residues pruned to eliminate duplicates Z: 23 39.039 2.186 0.998 0.932 0.955 0.318 CB 1.394 23 residues pruned to eliminate duplicates Z: 15 33.288 2.397 0.872 0.883 0.929 0.929 CA 1.544 15 residues pruned to eliminate duplicates Z: 17 20.824 1.972 0.551 0.782 0.938 0.562 CB 1.417 17 residues pruned to eliminate duplicates Z: 21 30.733 1.960 0.891 0.935 0.950 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 22 35.719 2.198 0.579 0.902 0.952 0.857 CB 1.682 22 residues pruned to eliminate duplicates Z: 18 19.619 1.964 0.351 0.814 0.941 0.706 CB 1.451 18 residues pruned to eliminate duplicates Z: 10 10.859 1.665 0.334 0.903 1.000 1.000 CB 1.161 9 residues pruned to eliminate duplicates Z: 12 10.984 1.742 0.138 0.923 1.000 1.000 CB 1.175 12 residues pruned to eliminate duplicates Z: 12 11.610 1.746 0.339 0.835 1.000 0.636 CB 1.122 11 residues pruned to eliminate duplicates Z: 12 15.290 1.796 0.499 0.904 0.909 0.818 CB 1.342 12 residues pruned to eliminate duplicates Z: 11 13.057 1.754 0.458 0.856 1.000 0.800 CB 1.191 11 residues pruned to eliminate duplicates Z: 16 16.037 1.842 0.587 0.845 0.933 0.467 CB 1.128 16 residues pruned to eliminate duplicates Z: 13 12.514 1.733 0.248 0.920 1.000 0.833 CB 1.177 13 residues pruned to eliminate duplicates Z: 14 28.641 2.228 0.672 0.893 0.923 0.923 CB 1.659 14 residues pruned to eliminate duplicates Z: 23 30.115 1.856 1.001 0.935 0.955 0.591 CB 1.263 23 residues pruned to eliminate duplicates Z: 19 15.971 1.934 0.409 0.778 0.944 0.556 CB 1.145 19 residues pruned to eliminate duplicates Z: 67 54.647 2.141 0.654 0.755 0.985 0.697 CB 1.537 67 residues pruned to eliminate duplicates Z: 19 18.733 2.105 0.536 0.665 0.833 0.389 CB 1.407 19 residues pruned to eliminate duplicates Z: 19 52.794 2.381 1.012 0.926 1.000 0.889 CA 1.821 19 residues pruned to eliminate duplicates Z: 14 25.542 2.135 0.531 0.864 1.000 0.769 CB 1.589 14 residues pruned to eliminate duplicates Z: 19 13.604 1.744 0.367 0.795 0.889 0.500 CB 1.168 19 residues pruned to eliminate duplicates Z: 12 13.556 1.632 0.674 0.836 1.000 0.818 CB 1.120 10 residues pruned to eliminate duplicates Z: 14 17.194 2.002 0.523 0.722 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 14 14.857 1.969 0.502 0.726 1.000 0.615 CB 1.137 13 residues pruned to eliminate duplicates Z: 30 46.753 2.358 0.890 0.708 0.931 0.690 CA 1.733 30 residues pruned to eliminate duplicates Z: 22 25.871 1.938 0.599 0.921 0.952 0.857 CA 1.346 22 residues pruned to eliminate duplicates Z: 109 73.642 2.299 0.671 0.671 0.907 0.537 CB 1.736 109 residues pruned to eliminate duplicates Z: 34 54.333 2.462 0.965 0.635 0.909 0.606 CA 1.895 34 residues pruned to eliminate duplicates Z: 19 25.742 2.158 0.437 0.858 0.944 0.778 CA 1.526 19 residues pruned to eliminate duplicates Z: 49 76.702 2.444 0.989 0.764 0.958 0.667 CB 1.880 52 residues pruned to eliminate duplicates Z: 15 26.067 2.191 0.359 0.875 1.000 0.857 CB 1.702 12 residues pruned to eliminate duplicates Z: 19 16.199 1.882 0.426 0.824 1.000 0.722 CB 1.075 19 residues pruned to eliminate duplicates Z: 59 83.941 2.455 1.091 0.684 0.948 0.586 CB 1.912 59 residues pruned to eliminate duplicates Z: 22 34.372 2.256 0.543 0.930 1.000 1.000 CB 1.507 22 residues pruned to eliminate duplicates Z: 12 13.605 1.759 0.256 0.898 1.000 0.909 CB 1.328 12 residues pruned to eliminate duplicates Z: 7 4.706 1.626 0.831 0.410 0.667 0.667 O 1.063 Z: 6 9.267 1.943 0.112 0.748 1.000 1.000 CA 1.537 6 residues pruned to eliminate duplicates Z: 13 4.380 1.560 0.479 0.303 0.667 0.167 CB 1.024 Z: 13 13.552 1.852 0.220 0.871 1.000 0.750 CB 1.262 13 residues pruned to eliminate duplicates Z: 36 56.951 2.400 0.860 0.794 0.914 0.571 CB 1.822 36 residues pruned to eliminate duplicates Z: 12 13.821 1.852 0.474 0.844 1.000 0.727 CB 1.136 12 residues pruned to eliminate duplicates Z: 15 25.324 2.277 0.292 0.879 0.929 0.714 CA 1.796 15 residues pruned to eliminate duplicates Z: 12 10.525 1.628 0.442 0.887 1.000 0.818 CB 0.975 12 residues pruned to eliminate duplicates Z: 12 15.145 1.786 0.245 0.919 1.000 0.909 CA 1.448 12 residues pruned to eliminate duplicates Z: 20 63.945 2.525 1.279 0.940 0.947 0.211 CB 1.869 20 residues pruned to eliminate duplicates Z: 21 28.965 1.935 0.915 0.939 1.000 0.400 CB 1.215 21 residues pruned to eliminate duplicates Z: 7 2.748 1.769 0.237 0.478 0.833 0.500 CB 0.629 7 residues pruned to eliminate duplicates Z: 11 12.019 1.709 0.344 0.836 1.000 0.600 CB 1.239 11 residues pruned to eliminate duplicates Z: 10 14.285 1.891 0.423 0.876 1.000 0.778 CB 1.286 10 residues pruned to eliminate duplicates Z: 12 11.275 1.880 0.235 0.777 0.909 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 9 6.998 1.521 0.125 0.857 1.000 0.750 CB 1.066 6 residues pruned to eliminate duplicates Z: 10 11.023 1.665 0.272 0.912 1.000 0.556 CB 1.228 10 residues pruned to eliminate duplicates Z: 22 31.642 2.228 0.510 0.906 1.000 0.952 CB 1.460 22 residues pruned to eliminate duplicates Z: 22 24.322 1.869 0.724 0.899 0.952 0.762 CB 1.237 22 residues pruned to eliminate duplicates Z: 12 14.548 1.815 0.395 0.936 1.000 1.000 CB 1.207 12 residues pruned to eliminate duplicates Z: 9 9.489 2.067 0.625 0.854 0.750 0.625 CB 0.983 9 residues pruned to eliminate duplicates Z: 6 7.918 1.937 0.426 0.499 0.800 0.800 CB 1.603 6 residues pruned to eliminate duplicates Z: 53 47.846 2.154 0.678 0.750 0.962 0.538 CB 1.527 53 residues pruned to eliminate duplicates Z: 12 14.811 1.735 0.442 0.887 1.000 0.909 CB 1.287 12 residues pruned to eliminate duplicates Z: 19 25.077 1.879 0.730 0.807 1.000 0.556 CB 1.392 19 residues pruned to eliminate duplicates Z: 22 37.146 2.319 0.599 0.918 1.000 0.857 CB 1.542 22 residues pruned to eliminate duplicates Z: 9 11.709 1.988 0.522 0.648 0.875 0.375 CB 1.362 9 residues pruned to eliminate duplicates Z: 18 24.789 2.112 0.791 0.795 0.824 0.647 CB 1.489 18 residues pruned to eliminate duplicates Z: 31 35.049 2.018 0.709 0.828 1.000 0.533 CB 1.397 32 residues pruned to eliminate duplicates Z: 19 18.163 1.917 0.543 0.791 0.944 0.778 CB 1.187 19 residues pruned to eliminate duplicates Z: 9 9.958 1.660 0.201 0.870 1.000 1.000 CB 1.289 9 residues pruned to eliminate duplicates Z: 63 66.651 2.354 0.899 0.648 0.935 0.484 CB 1.763 63 residues pruned to eliminate duplicates Z: 19 16.112 1.912 0.442 0.747 0.944 0.611 CB 1.169 19 residues pruned to eliminate duplicates Z: 12 10.202 1.757 0.562 0.849 0.818 0.364 CB 1.015 12 residues pruned to eliminate duplicates Z: 14 22.399 2.069 0.518 0.825 1.000 0.692 CB 1.493 14 residues pruned to eliminate duplicates Z: 17 23.107 2.083 0.596 0.741 0.938 0.812 CA 1.494 17 residues pruned to eliminate duplicates Z: 12 18.803 2.128 0.504 0.773 0.909 0.545 CB 1.532 12 residues pruned to eliminate duplicates Z: 13 11.278 1.773 0.290 0.848 0.917 0.833 CB 1.152 13 residues pruned to eliminate duplicates Z: 12 17.221 2.073 0.346 0.830 1.000 0.636 CB 1.400 12 residues pruned to eliminate duplicates Z: 8 19.784 2.199 0.533 0.811 1.000 0.571 CA 1.692 8 residues pruned to eliminate duplicates Z: 38 22.443 1.878 0.427 0.584 0.946 0.541 CB 1.342 38 residues pruned to eliminate duplicates Z: 39 32.414 2.167 0.669 0.634 0.868 0.605 CB 1.477 39 residues pruned to eliminate duplicates Z: 21 34.524 1.933 1.069 0.937 1.000 0.550 CB 1.343 21 residues pruned to eliminate duplicates Z: 10 10.399 1.654 0.163 0.922 1.000 1.000 CA 1.267 10 residues pruned to eliminate duplicates Z: 11 9.301 1.711 0.302 0.802 0.800 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 19 22.474 1.931 0.549 0.818 0.944 0.667 CB 1.422 19 residues pruned to eliminate duplicates Z: 11 19.257 1.829 0.548 0.902 1.000 0.500 CB 1.535 11 residues pruned to eliminate duplicates Z: 21 32.167 1.961 1.095 0.954 0.950 0.400 CB 1.267 21 residues pruned to eliminate duplicates Z: 6 8.078 1.784 0.465 0.851 1.000 0.800 CA 1.023 5 residues pruned to eliminate duplicates Z: 21 40.891 2.403 0.626 0.897 1.000 0.750 CA 1.675 21 residues pruned to eliminate duplicates Z: 11 10.968 1.782 0.339 0.842 0.900 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 60 77.394 2.460 0.926 0.672 0.949 0.712 CA 1.911 60 residues pruned to eliminate duplicates Z: 61 42.022 2.156 0.605 0.587 0.917 0.650 CB 1.574 61 residues pruned to eliminate duplicates Z: 9 11.148 1.935 0.166 0.901 1.000 1.000 CB 1.247 9 residues pruned to eliminate duplicates Z: 25 13.209 1.863 0.212 0.578 0.875 0.583 CB 1.266 25 residues pruned to eliminate duplicates Z: 22 28.823 1.936 0.745 0.902 1.000 0.619 CB 1.328 22 residues pruned to eliminate duplicates Z: 13 15.975 1.976 0.419 0.834 0.917 0.833 CA 1.345 13 residues pruned to eliminate duplicates Z: 30 18.062 1.833 0.557 0.579 0.931 0.586 CB 1.169 28 residues pruned to eliminate duplicates Z: 35 39.214 2.048 0.687 0.811 1.000 0.500 CB 1.485 34 residues pruned to eliminate duplicates Z: 19 16.495 1.868 0.442 0.781 0.944 0.444 CB 1.193 19 residues pruned to eliminate duplicates Z: 13 12.908 1.692 0.500 0.930 1.000 0.833 CB 1.026 13 residues pruned to eliminate duplicates Z: 7 2.172 1.520 0.297 0.257 0.667 0.667 CB 0.891 Z: 49 51.335 2.215 0.777 0.820 0.938 0.542 CB 1.521 49 residues pruned to eliminate duplicates Z: 9 7.062 1.838 -0.122 0.767 0.875 0.875 CB 1.396 9 residues pruned to eliminate duplicates Z: 12 22.999 2.142 0.559 0.803 1.000 0.636 CA 1.594 12 residues pruned to eliminate duplicates Z: 11 10.646 1.697 0.804 0.883 0.800 0.500 CB 0.994 11 residues pruned to eliminate duplicates Z: 6 4.143 1.363 0.931 0.331 0.800 0.400 O 1.059 Z: 19 17.167 1.889 0.288 0.839 1.000 0.778 CB 1.242 19 residues pruned to eliminate duplicates Z: 9 5.843 1.703 0.700 0.326 0.625 0.375 CB 1.383 Z: 14 17.449 2.009 0.336 0.815 1.000 0.846 CA 1.371 14 residues pruned to eliminate duplicates Z: 40 54.486 2.325 0.725 0.804 1.000 0.821 CB 1.669 40 residues pruned to eliminate duplicates Z: 16 27.302 2.012 0.972 0.920 0.933 0.733 CB 1.340 16 residues pruned to eliminate duplicates Z: 19 20.662 1.897 0.405 0.899 1.000 0.944 CB 1.305 20 residues pruned to eliminate duplicates Z: 16 9.272 1.985 0.523 0.352 0.933 0.333 CB 0.996 16 residues pruned to eliminate duplicates Z: 12 14.341 1.700 0.497 0.925 1.000 0.636 CB 1.192 12 residues pruned to eliminate duplicates Z: 22 31.006 2.275 0.800 0.607 0.952 0.714 CB 1.568 22 residues pruned to eliminate duplicates Z: 11 13.121 1.624 0.711 0.857 1.000 0.500 CB 1.100 11 residues pruned to eliminate duplicates Z: 12 10.989 1.775 0.239 0.766 1.000 0.636 CB 1.190 12 residues pruned to eliminate duplicates Z: 8 4.809 1.516 0.613 0.433 0.714 0.286 CB 1.115 8 residues pruned to eliminate duplicates Z: 7 9.763 1.861 0.349 0.868 1.000 0.833 CB 1.161 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 11.671 1.753 0.170 0.886 0.917 0.833 CB 1.293 13 residues pruned to eliminate duplicates Z: 67 46.151 2.129 0.458 0.726 0.955 0.758 CB 1.564 67 residues pruned to eliminate duplicates Z: 66 51.824 2.144 0.631 0.753 0.969 0.723 CB 1.514 66 residues pruned to eliminate duplicates Z: 66 49.136 2.152 0.582 0.747 0.954 0.738 CB 1.505 67 residues pruned to eliminate duplicates Z: 13 15.018 1.739 0.461 0.923 1.000 0.833 CB 1.200 12 residues pruned to eliminate duplicates Z: 13 14.913 1.735 0.449 0.909 1.000 0.750 CB 1.216 13 residues pruned to eliminate duplicates Z: 68 48.612 2.110 0.591 0.730 0.970 0.657 CB 1.483 68 residues pruned to eliminate duplicates Z: 67 48.227 2.133 0.552 0.727 0.955 0.727 CB 1.531 68 residues pruned to eliminate duplicates Z: 12 13.510 1.749 0.391 0.912 1.000 0.818 CB 1.186 12 residues pruned to eliminate duplicates Z: 67 48.234 2.138 0.534 0.725 0.939 0.788 CB 1.573 67 residues pruned to eliminate duplicates Z: 68 44.828 2.124 0.459 0.714 0.970 0.731 CB 1.502 68 residues pruned to eliminate duplicates Z: 68 48.476 2.133 0.520 0.726 0.985 0.746 CB 1.512 68 residues pruned to eliminate duplicates Z: 66 48.234 2.163 0.589 0.737 0.938 0.708 CB 1.499 66 residues pruned to eliminate duplicates Z: 70 44.185 2.090 0.449 0.713 0.957 0.768 CB 1.513 67 residues pruned to eliminate duplicates Z: 23 32.217 2.189 0.675 0.905 0.955 0.864 CB 1.398 23 residues pruned to eliminate duplicates Z: 68 46.979 2.116 0.568 0.744 0.955 0.731 CB 1.456 68 residues pruned to eliminate duplicates Z: 67 45.526 2.141 0.495 0.740 0.955 0.712 CB 1.480 67 residues pruned to eliminate duplicates Z: 45 39.421 2.063 0.691 0.714 0.955 0.591 CB 1.469 45 residues pruned to eliminate duplicates Z: 66 50.784 2.170 0.591 0.744 0.969 0.631 CB 1.513 66 residues pruned to eliminate duplicates Z: 54 48.092 2.196 0.660 0.724 0.962 0.679 CB 1.538 54 residues pruned to eliminate duplicates Z: 68 46.111 2.136 0.527 0.718 0.940 0.642 CB 1.509 68 residues pruned to eliminate duplicates Z: 68 47.080 2.134 0.520 0.722 0.985 0.642 CB 1.473 68 residues pruned to eliminate duplicates Z: 69 47.327 2.072 0.635 0.747 0.941 0.676 CB 1.443 69 residues pruned to eliminate duplicates Z: 22 33.245 2.300 0.627 0.932 0.905 0.429 CB 1.496 22 residues pruned to eliminate duplicates Z: 67 53.363 2.153 0.672 0.755 0.955 0.697 CB 1.523 67 residues pruned to eliminate duplicates Z: 67 48.737 2.131 0.638 0.733 0.939 0.621 CB 1.483 67 residues pruned to eliminate duplicates Z: 68 53.805 2.136 0.677 0.748 0.970 0.657 CB 1.516 68 residues pruned to eliminate duplicates Z: 67 53.265 2.134 0.708 0.749 0.985 0.576 CB 1.462 70 residues pruned to eliminate duplicates Z: 22 44.465 2.353 1.011 0.941 0.905 0.476 CB 1.573 22 residues pruned to eliminate duplicates Z: 65 53.864 2.175 0.778 0.741 0.938 0.688 CB 1.497 65 residues pruned to eliminate duplicates Z: 68 51.028 2.127 0.690 0.723 0.955 0.701 CB 1.485 68 residues pruned to eliminate duplicates Z: 71 49.886 2.095 0.673 0.721 0.943 0.586 CB 1.478 71 residues pruned to eliminate duplicates Z: 70 54.040 2.094 0.793 0.730 0.971 0.710 CB 1.451 70 residues pruned to eliminate duplicates Z: 68 54.475 2.138 0.735 0.738 0.970 0.716 CB 1.494 68 residues pruned to eliminate duplicates Z: 68 48.373 2.131 0.600 0.737 0.955 0.627 CB 1.468 68 residues pruned to eliminate duplicates Z: 70 46.880 2.098 0.619 0.701 0.942 0.681 CB 1.468 70 residues pruned to eliminate duplicates Z: 68 50.987 2.134 0.681 0.731 0.940 0.642 CB 1.500 68 residues pruned to eliminate duplicates Z: 67 55.443 2.138 0.758 0.759 0.970 0.576 CB 1.488 67 residues pruned to eliminate duplicates Z: 16 22.818 2.284 0.422 0.681 0.933 0.733 CB 1.646 16 residues pruned to eliminate duplicates Z: 67 53.680 2.144 0.677 0.744 0.970 0.636 CB 1.524 67 residues pruned to eliminate duplicates Z: 67 46.575 2.126 0.589 0.745 0.924 0.682 CB 1.475 67 residues pruned to eliminate duplicates Z: 67 52.514 2.147 0.682 0.741 0.955 0.636 CB 1.511 67 residues pruned to eliminate duplicates Z: 68 51.218 2.111 0.764 0.725 0.940 0.597 CB 1.458 68 residues pruned to eliminate duplicates Z: 67 57.077 2.166 0.667 0.755 1.000 0.667 CB 1.551 67 residues pruned to eliminate duplicates Z: 67 52.623 2.136 0.679 0.753 0.955 0.621 CB 1.509 67 residues pruned to eliminate duplicates Z: 69 53.537 2.118 0.725 0.751 0.941 0.691 CB 1.509 69 residues pruned to eliminate duplicates Z: 67 57.123 2.134 0.787 0.746 0.985 0.591 CB 1.502 66 residues pruned to eliminate duplicates Z: 19 29.773 2.222 0.579 0.692 1.000 0.778 CB 1.677 19 residues pruned to eliminate duplicates Z: 67 55.286 2.150 0.751 0.736 0.970 0.636 CB 1.509 67 residues pruned to eliminate duplicates Z: 66 55.448 2.160 0.726 0.763 0.954 0.677 CB 1.530 66 residues pruned to eliminate duplicates Z: 51 56.675 2.232 0.869 0.752 0.960 0.560 CB 1.599 51 residues pruned to eliminate duplicates Z: 33 37.792 2.135 0.708 0.672 1.000 0.719 CB 1.564 33 residues pruned to eliminate duplicates Z: 66 53.883 2.143 0.763 0.761 0.923 0.600 CB 1.519 66 residues pruned to eliminate duplicates Z: 69 49.963 2.109 0.627 0.742 0.956 0.559 CB 1.487 69 residues pruned to eliminate duplicates Z: 68 54.410 2.140 0.652 0.762 0.970 0.612 CB 1.536 68 residues pruned to eliminate duplicates Z: 68 54.490 2.120 0.693 0.746 1.000 0.701 CB 1.488 68 residues pruned to eliminate duplicates Z: 67 55.397 2.137 0.717 0.773 0.970 0.485 CB 1.506 67 residues pruned to eliminate duplicates Z: 67 58.002 2.156 0.775 0.771 0.955 0.591 CB 1.538 67 residues pruned to eliminate duplicates Z: 68 57.784 2.136 0.732 0.766 1.000 0.612 CB 1.507 68 residues pruned to eliminate duplicates Z: 67 59.845 2.146 0.785 0.762 1.000 0.667 CB 1.524 66 residues pruned to eliminate duplicates Z: 11 18.948 1.902 0.664 0.905 0.900 0.500 N 1.497 11 residues pruned to eliminate duplicates Z: 68 54.641 2.129 0.669 0.753 0.985 0.627 CB 1.522 68 residues pruned to eliminate duplicates Z: 67 56.364 2.148 0.709 0.766 0.985 0.621 CB 1.516 67 residues pruned to eliminate duplicates Z: 67 57.276 2.147 0.724 0.759 0.985 0.652 CB 1.535 67 residues pruned to eliminate duplicates Z: 69 54.715 2.099 0.774 0.773 0.971 0.632 CB 1.443 69 residues pruned to eliminate duplicates Z: 31 29.232 1.963 0.478 0.834 1.000 0.800 CB 1.378 31 residues pruned to eliminate duplicates Z: 10 15.054 1.903 0.467 0.885 1.000 0.889 CB 1.299 10 residues pruned to eliminate duplicates Z: 32 27.627 1.937 0.484 0.840 1.000 0.710 CB 1.289 32 residues pruned to eliminate duplicates Z: 9 7.986 1.681 0.343 0.635 0.875 0.750 CB 1.259 9 residues pruned to eliminate duplicates Z: 26 24.044 1.942 0.537 0.822 0.920 0.800 CB 1.324 26 residues pruned to eliminate duplicates Z: 30 25.649 1.964 0.377 0.787 1.000 0.793 CB 1.368 30 residues pruned to eliminate duplicates Z: 9 13.486 1.898 0.534 0.901 0.875 0.875 CB 1.336 9 residues pruned to eliminate duplicates Z: 10 13.966 1.906 0.438 0.871 1.000 0.667 CB 1.238 10 residues pruned to eliminate duplicates Z: 13 13.926 1.806 0.402 0.721 1.000 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 31 31.781 1.968 0.561 0.848 1.000 0.700 CB 1.402 31 residues pruned to eliminate duplicates Z: 21 20.814 1.909 0.405 0.866 1.000 0.800 CB 1.271 21 residues pruned to eliminate duplicates Z: 31 30.068 1.959 0.499 0.845 1.000 0.700 CB 1.391 31 residues pruned to eliminate duplicates Z: 31 29.447 1.966 0.534 0.833 1.000 0.767 CB 1.337 31 residues pruned to eliminate duplicates Z: 29 28.899 1.991 0.600 0.815 0.964 0.679 CB 1.352 29 residues pruned to eliminate duplicates Z: 33 28.805 1.930 0.621 0.818 0.969 0.656 CB 1.274 33 residues pruned to eliminate duplicates Z: 34 25.822 1.869 0.609 0.736 0.970 0.515 CB 1.247 34 residues pruned to eliminate duplicates Z: 31 34.110 1.958 0.799 0.857 0.967 0.633 CB 1.347 31 residues pruned to eliminate duplicates Z: 33 30.646 1.924 0.633 0.827 0.969 0.562 CB 1.342 33 residues pruned to eliminate duplicates Z: 32 34.163 1.968 0.786 0.833 0.968 0.419 CB 1.354 32 residues pruned to eliminate duplicates Z: 33 31.886 1.942 0.743 0.823 0.969 0.531 CB 1.299 33 residues pruned to eliminate duplicates Z: 33 33.618 1.947 0.810 0.836 0.969 0.562 CB 1.303 33 residues pruned to eliminate duplicates Z: 15 22.759 1.957 0.960 0.859 0.929 0.357 CB 1.257 15 residues pruned to eliminate duplicates Z: 33 33.309 1.925 0.835 0.822 0.969 0.500 CB 1.302 33 residues pruned to eliminate duplicates Z: 32 33.001 1.937 0.804 0.836 1.000 0.484 CB 1.270 32 residues pruned to eliminate duplicates Z: 31 33.506 1.963 0.846 0.853 0.933 0.500 CB 1.337 31 residues pruned to eliminate duplicates Z: 33 33.403 1.940 0.816 0.818 0.969 0.531 CB 1.312 33 residues pruned to eliminate duplicates Z: 20 32.540 1.985 1.038 0.945 0.947 0.526 CB 1.348 21 residues pruned to eliminate duplicates Z: 14 23.009 1.956 1.045 0.923 0.846 0.615 CB 1.325 14 residues pruned to eliminate duplicates Z: 50 35.019 1.950 0.715 0.703 0.918 0.571 CB 1.354 48 residues pruned to eliminate duplicates Z: 20 30.600 1.944 1.098 0.937 0.895 0.474 CB 1.339 20 residues pruned to eliminate duplicates Z: 55 28.951 1.875 0.549 0.647 0.907 0.519 CB 1.303 55 residues pruned to eliminate duplicates Z: 29 19.063 1.883 0.456 0.593 0.893 0.643 CB 1.346 29 residues pruned to eliminate duplicates Z: 50 27.552 1.916 0.542 0.640 0.898 0.633 CB 1.302 50 residues pruned to eliminate duplicates Z: 14 14.467 1.976 0.383 0.700 0.923 0.462 CB 1.326 14 residues pruned to eliminate duplicates Z: 25 17.139 1.932 0.488 0.513 0.875 0.625 CB 1.373 25 residues pruned to eliminate duplicates Z: 29 19.672 1.878 0.541 0.554 0.893 0.536 CB 1.366 29 residues pruned to eliminate duplicates Z: 57 33.984 1.926 0.620 0.660 0.911 0.429 CB 1.378 57 residues pruned to eliminate duplicates Z: 20 15.651 1.954 0.458 0.514 0.895 0.632 CB 1.390 20 residues pruned to eliminate duplicates Z: 21 13.029 1.904 0.466 0.518 0.750 0.500 CB 1.366 21 residues pruned to eliminate duplicates Z: 19 12.490 1.925 0.468 0.507 0.778 0.333 CB 1.330 19 residues pruned to eliminate duplicates Z: 20 11.320 1.867 0.310 0.505 0.842 0.526 CB 1.256 20 residues pruned to eliminate duplicates Z: 19 17.216 1.950 0.524 0.531 1.000 0.722 CB 1.324 19 residues pruned to eliminate duplicates Z: 18 13.649 1.885 0.396 0.568 0.882 0.529 CB 1.335 18 residues pruned to eliminate duplicates Z: 29 19.200 1.880 0.528 0.576 0.893 0.643 CB 1.315 29 residues pruned to eliminate duplicates Z: 22 13.793 1.870 0.389 0.500 0.905 0.381 CB 1.280 22 residues pruned to eliminate duplicates Z: 26 17.555 1.898 0.546 0.484 0.960 0.640 CB 1.268 26 residues pruned to eliminate duplicates Z: 33 22.522 1.836 0.503 0.636 0.969 0.719 CB 1.312 33 residues pruned to eliminate duplicates Z: 30 20.674 1.821 0.580 0.641 0.897 0.621 CB 1.304 30 residues pruned to eliminate duplicates Z: 11 12.327 1.839 0.562 0.721 1.000 0.800 CB 1.112 11 residues pruned to eliminate duplicates Z: 30 19.797 1.854 0.583 0.664 0.897 0.655 CB 1.200 30 residues pruned to eliminate duplicates Z: 30 24.051 1.863 0.680 0.681 0.966 0.724 CB 1.251 30 residues pruned to eliminate duplicates Z: 32 19.394 1.816 0.568 0.590 0.903 0.516 CB 1.242 32 residues pruned to eliminate duplicates Z: 19 13.961 1.701 0.510 0.630 0.944 0.611 CB 1.201 19 residues pruned to eliminate duplicates Z: 29 22.184 1.822 0.674 0.564 0.964 0.464 CB 1.340 29 residues pruned to eliminate duplicates Z: 32 22.769 1.853 0.541 0.673 0.935 0.645 CB 1.304 32 residues pruned to eliminate duplicates Z: 31 20.675 1.866 0.644 0.596 0.867 0.633 CB 1.295 31 residues pruned to eliminate duplicates Z: 52 29.056 1.911 0.588 0.619 0.902 0.647 CB 1.328 51 residues pruned to eliminate duplicates Z: 12 9.919 1.664 0.530 0.868 0.909 0.636 CB 0.944 12 residues pruned to eliminate duplicates Z: 49 28.587 1.929 0.669 0.649 0.875 0.646 CB 1.275 49 residues pruned to eliminate duplicates Z: 63 40.290 1.903 0.719 0.739 0.935 0.532 CB 1.350 63 residues pruned to eliminate duplicates Z: 34 22.462 1.827 0.583 0.646 0.909 0.636 CB 1.297 34 residues pruned to eliminate duplicates Z: 14 10.933 1.721 0.675 0.687 0.846 0.615 CB 1.047 14 residues pruned to eliminate duplicates Z: 34 21.278 1.823 0.641 0.591 0.909 0.545 CB 1.249 34 residues pruned to eliminate duplicates Z: 53 29.321 1.854 0.679 0.633 0.942 0.654 CB 1.223 53 residues pruned to eliminate duplicates Z: 14 24.699 2.102 0.879 0.766 0.923 0.538 CB 1.485 14 residues pruned to eliminate duplicates Z: 17 28.207 2.119 1.028 0.725 0.938 0.688 CB 1.429 17 residues pruned to eliminate duplicates Z: 20 19.400 1.936 0.701 0.620 0.895 0.632 CB 1.348 20 residues pruned to eliminate duplicates Z: 18 25.689 2.075 0.849 0.755 0.941 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 34 25.967 2.032 0.553 0.667 0.939 0.576 CB 1.306 48 residues pruned to eliminate duplicates Z: 22 21.362 1.954 0.789 0.640 0.952 0.714 CB 1.229 22 residues pruned to eliminate duplicates Z: 19 25.369 2.129 0.877 0.663 0.944 0.722 CB 1.362 19 residues pruned to eliminate duplicates Z: 22 20.562 1.973 0.781 0.608 0.952 0.619 CB 1.209 22 residues pruned to eliminate duplicates Z: 18 25.996 2.116 0.970 0.703 0.941 0.529 CB 1.337 18 residues pruned to eliminate duplicates Z: 17 28.592 2.164 0.985 0.744 0.938 0.812 CB 1.427 17 residues pruned to eliminate duplicates Z: 23 21.392 1.922 0.789 0.582 0.955 0.545 CB 1.284 23 residues pruned to eliminate duplicates Z: 23 24.120 1.958 0.938 0.618 0.955 0.545 CB 1.270 23 residues pruned to eliminate duplicates Z: 50 52.792 2.250 0.770 0.784 0.918 0.673 CB 1.606 50 residues pruned to eliminate duplicates Z: 51 51.145 2.217 0.633 0.781 0.960 0.740 CB 1.624 51 residues pruned to eliminate duplicates Z: 49 59.454 2.261 0.801 0.793 1.000 0.729 CB 1.631 49 residues pruned to eliminate duplicates Z: 8 10.538 2.046 0.535 0.865 0.714 0.714 CB 1.301 8 residues pruned to eliminate duplicates Z: 20 19.941 1.996 0.284 0.797 0.947 0.684 CB 1.453 20 residues pruned to eliminate duplicates Z: 12 9.777 1.666 0.423 0.732 0.909 0.636 CB 1.110 12 residues pruned to eliminate duplicates Z: 12 16.471 1.826 0.424 0.909 1.000 0.909 CB 1.356 12 residues pruned to eliminate duplicates Z: 10 14.297 1.845 0.529 0.891 1.000 0.778 CB 1.215 10 residues pruned to eliminate duplicates Z: 49 53.235 2.260 0.695 0.804 0.958 0.708 CB 1.606 49 residues pruned to eliminate duplicates Z: 50 53.898 2.242 0.726 0.773 0.959 0.755 CB 1.630 50 residues pruned to eliminate duplicates Z: 47 56.358 2.275 0.859 0.806 0.957 0.674 CB 1.573 47 residues pruned to eliminate duplicates Z: 50 53.699 2.254 0.874 0.799 0.918 0.592 CB 1.522 52 residues pruned to eliminate duplicates Z: 20 52.357 2.283 1.144 0.927 1.000 0.316 CB 1.719 20 residues pruned to eliminate duplicates Z: 46 58.075 2.306 0.958 0.816 0.956 0.533 CB 1.525 46 residues pruned to eliminate duplicates Z: 50 51.819 2.215 0.864 0.811 0.898 0.531 CB 1.524 50 residues pruned to eliminate duplicates Z: 47 48.545 2.217 0.806 0.761 0.935 0.565 CB 1.517 47 residues pruned to eliminate duplicates Z: 48 58.053 2.267 0.888 0.812 0.957 0.702 CB 1.574 48 residues pruned to eliminate duplicates Z: 48 57.973 2.241 0.804 0.825 1.000 0.681 CB 1.579 48 residues pruned to eliminate duplicates Z: 47 47.109 2.208 0.862 0.768 0.891 0.543 CB 1.495 47 residues pruned to eliminate duplicates Z: 49 55.370 2.255 0.843 0.789 0.938 0.667 CB 1.592 49 residues pruned to eliminate duplicates Z: 50 57.032 2.249 0.855 0.827 0.918 0.592 CB 1.603 49 residues pruned to eliminate duplicates Z: 15 26.937 2.086 0.781 0.877 0.929 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 52 58.442 2.189 0.951 0.810 0.961 0.549 CB 1.521 52 residues pruned to eliminate duplicates Z: 48 54.612 2.265 0.909 0.817 0.915 0.574 CB 1.529 48 residues pruned to eliminate duplicates Z: 50 56.595 2.234 0.919 0.820 0.939 0.592 CB 1.522 50 residues pruned to eliminate duplicates Z: 49 59.734 2.251 0.968 0.810 0.938 0.646 CB 1.585 49 residues pruned to eliminate duplicates Z: 49 52.755 2.229 0.931 0.773 0.896 0.604 CB 1.552 49 residues pruned to eliminate duplicates Z: 72 59.239 2.167 0.903 0.717 0.958 0.563 CB 1.462 66 residues pruned to eliminate duplicates Z: 14 25.912 2.178 0.608 0.870 0.923 0.692 CA 1.622 14 residues pruned to eliminate duplicates Z: 38 58.499 2.387 0.884 0.835 0.946 0.703 CB 1.693 38 residues pruned to eliminate duplicates Z: 52 53.742 2.207 0.817 0.762 0.941 0.627 CB 1.580 52 residues pruned to eliminate duplicates Z: 6 6.175 1.865 0.187 0.593 0.800 0.400 CA 1.427 6 residues pruned to eliminate duplicates Z: 37 48.954 2.297 0.874 0.761 0.917 0.611 CB 1.639 37 residues pruned to eliminate duplicates Z: 49 54.410 2.255 0.732 0.800 0.958 0.688 CB 1.614 49 residues pruned to eliminate duplicates Z: 37 53.796 2.306 0.912 0.779 0.944 0.667 CB 1.684 37 residues pruned to eliminate duplicates Z: 36 55.792 2.348 0.865 0.803 0.971 0.714 CB 1.701 37 residues pruned to eliminate duplicates Z: 19 50.502 2.306 1.162 0.944 1.000 0.556 CB 1.654 19 residues pruned to eliminate duplicates Z: 49 54.606 2.251 0.709 0.784 1.000 0.604 CB 1.596 49 residues pruned to eliminate duplicates Z: 50 53.732 2.242 0.782 0.779 0.959 0.592 CB 1.566 50 residues pruned to eliminate duplicates Z: 50 54.234 2.236 0.856 0.781 0.939 0.592 CB 1.553 50 residues pruned to eliminate duplicates Z: 51 58.343 2.226 0.799 0.802 0.980 0.720 CB 1.615 51 residues pruned to eliminate duplicates Z: 41 47.491 2.300 0.856 0.737 0.875 0.650 CB 1.626 41 residues pruned to eliminate duplicates Z: 49 62.605 2.278 0.934 0.795 0.979 0.646 CB 1.618 49 residues pruned to eliminate duplicates Z: 51 54.508 2.212 0.899 0.779 0.920 0.660 CB 1.559 51 residues pruned to eliminate duplicates Z: 47 58.510 2.303 0.853 0.790 0.978 0.739 CB 1.602 47 residues pruned to eliminate duplicates Z: 17 11.712 2.037 0.298 0.648 0.812 0.438 CB 1.188 18 residues pruned to eliminate duplicates Z: 7 7.683 1.742 0.125 0.818 1.000 1.000 CB 1.214 7 residues pruned to eliminate duplicates Z: 27 15.286 1.929 0.342 0.682 0.846 0.500 CB 1.158 25 residues pruned to eliminate duplicates Z: 7 8.314 1.919 0.235 0.856 1.000 0.833 CB 1.056 9 residues pruned to eliminate duplicates Z: 7 7.685 1.949 0.511 0.668 0.833 0.500 CB 1.094 7 residues pruned to eliminate duplicates Z: 15 10.815 2.050 0.261 0.652 0.857 0.429 CB 1.132 15 residues pruned to eliminate duplicates Z: 26 14.291 1.930 0.265 0.688 0.880 0.560 CB 1.120 26 residues pruned to eliminate duplicates Z: 24 13.084 1.913 0.290 0.627 0.870 0.478 CB 1.128 24 residues pruned to eliminate duplicates Z: 18 16.385 1.950 0.275 0.774 1.000 0.588 CB 1.254 18 residues pruned to eliminate duplicates Z: 86 28.532 1.884 0.488 0.610 0.906 0.529 CB 1.098 86 residues pruned to eliminate duplicates Z: 26 16.414 1.950 0.237 0.700 0.960 0.640 CB 1.181 26 residues pruned to eliminate duplicates Z: 24 16.553 2.005 0.284 0.730 0.913 0.609 CB 1.194 24 residues pruned to eliminate duplicates Z: 75 29.534 1.905 0.420 0.611 0.932 0.635 CB 1.225 100 residues pruned to eliminate duplicates Z: 24 16.365 1.982 0.434 0.695 0.870 0.522 CB 1.155 Z: 13 12.643 1.873 0.112 0.840 1.000 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 91 36.875 1.890 0.567 0.682 0.922 0.511 CB 1.204 115 residues pruned to eliminate duplicates Z: 12 14.228 1.920 0.433 0.813 0.909 0.727 CB 1.306 Z: 18 16.470 1.893 0.427 0.815 0.941 0.588 CB 1.195 12 residues pruned to eliminate duplicates Z: 10 11.975 1.804 0.425 0.845 1.000 0.889 CB 1.155 10 residues pruned to eliminate duplicates Z: 13 11.889 1.856 0.282 0.874 1.000 0.750 CB 1.049 13 residues pruned to eliminate duplicates Z: 58 25.364 1.873 0.525 0.583 0.860 0.526 CB 1.264 76 residues pruned to eliminate duplicates Z: 25 15.415 1.971 0.380 0.678 0.792 0.625 CB 1.240 Z: 13 12.472 1.829 0.418 0.776 0.917 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 12 12.101 1.924 0.095 0.772 1.000 0.909 CB 1.361 12 residues pruned to eliminate duplicates Z: 19 11.993 1.844 0.339 0.694 0.944 0.278 CB 1.015 18 residues pruned to eliminate duplicates Z: 14 14.517 2.037 0.137 0.737 1.000 0.692 CA 1.406 Z: 13 15.499 2.056 0.329 0.696 0.917 0.667 CA 1.494 14 residues pruned to eliminate duplicates Z: 12 17.852 2.106 0.319 0.801 1.000 0.727 CB 1.490 12 residues pruned to eliminate duplicates Z: 12 15.658 2.068 0.300 0.800 1.000 0.818 CB 1.351 13 residues pruned to eliminate duplicates Z: 13 19.394 2.113 0.410 0.784 1.000 0.750 CA 1.464 12 residues pruned to eliminate duplicates Z: 14 19.079 2.059 0.335 0.833 1.000 0.615 CA 1.444 13 residues pruned to eliminate duplicates Z: 12 17.689 2.077 0.354 0.771 1.000 0.727 CA 1.493 12 residues pruned to eliminate duplicates Z: 23 21.338 2.052 0.599 0.658 0.909 0.455 CB 1.318 37 residues pruned to eliminate duplicates Z: 13 18.919 2.053 0.490 0.687 1.000 0.667 CB 1.504 Z: 14 23.644 2.075 0.570 0.843 1.000 0.692 CA 1.498 13 residues pruned to eliminate duplicates Z: 13 20.538 2.032 0.501 0.843 1.000 0.583 CB 1.447 13 residues pruned to eliminate duplicates Z: 14 18.168 2.075 0.537 0.683 0.923 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 43 18.929 1.902 0.310 0.619 0.929 0.619 CB 1.128 42 residues pruned to eliminate duplicates Z: 18 22.363 1.989 0.558 0.797 0.941 0.588 CB 1.434 18 residues pruned to eliminate duplicates Z: 10 13.672 2.107 0.563 0.590 0.889 0.667 CA 1.428 10 residues pruned to eliminate duplicates Z: 10 15.205 2.077 0.488 0.642 1.000 0.556 CA 1.436 10 residues pruned to eliminate duplicates Z: 47 31.458 2.016 0.504 0.625 0.957 0.543 CB 1.422 47 residues pruned to eliminate duplicates Z: 12 13.495 1.984 0.587 0.482 0.818 0.455 CB 1.608 12 residues pruned to eliminate duplicates Z: 37 25.541 1.975 0.423 0.670 0.972 0.611 CB 1.332 37 residues pruned to eliminate duplicates Z: 18 20.260 1.963 0.506 0.796 0.882 0.588 CB 1.454 18 residues pruned to eliminate duplicates Z: 35 25.900 2.020 0.424 0.658 0.971 0.618 CB 1.373 36 residues pruned to eliminate duplicates Z: 18 22.966 1.966 0.546 0.821 1.000 0.588 CB 1.387 18 residues pruned to eliminate duplicates Z: 35 26.251 2.022 0.481 0.649 0.941 0.618 CB 1.391 35 residues pruned to eliminate duplicates Z: 40 23.604 1.915 0.402 0.616 0.949 0.641 CB 1.329 40 residues pruned to eliminate duplicates Z: 37 23.323 2.011 0.414 0.619 0.889 0.611 CB 1.374 37 residues pruned to eliminate duplicates Z: 97 70.554 2.280 0.766 0.653 0.927 0.667 CB 1.673 97 residues pruned to eliminate duplicates Z: 30 20.965 1.962 0.474 0.609 0.897 0.690 CB 1.354 30 residues pruned to eliminate duplicates Z: 36 23.641 2.019 0.338 0.630 0.971 0.629 CB 1.348 36 residues pruned to eliminate duplicates Z: 43 30.761 2.106 0.425 0.659 0.952 0.738 CB 1.434 43 residues pruned to eliminate duplicates Z: 110 81.541 2.308 0.780 0.665 0.936 0.624 CB 1.744 110 residues pruned to eliminate duplicates Z: 36 25.103 1.990 0.404 0.636 0.943 0.686 CB 1.418 36 residues pruned to eliminate duplicates Z: 35 26.507 2.048 0.355 0.668 0.971 0.647 CB 1.445 35 residues pruned to eliminate duplicates Z: 31 18.613 1.953 0.363 0.604 0.900 0.567 CB 1.284 31 residues pruned to eliminate duplicates Z: 34 22.465 1.967 0.446 0.586 0.939 0.515 CB 1.347 34 residues pruned to eliminate duplicates Z: 97 77.213 2.305 0.815 0.652 0.948 0.615 CB 1.726 97 residues pruned to eliminate duplicates Z: 108 78.445 2.311 0.733 0.658 0.944 0.626 CB 1.731 108 residues pruned to eliminate duplicates Z: 34 25.585 2.071 0.359 0.644 0.939 0.606 CB 1.473 34 residues pruned to eliminate duplicates Z: 111 78.731 2.297 0.784 0.661 0.918 0.645 CB 1.719 118 residues pruned to eliminate duplicates Z: 37 23.200 1.959 0.409 0.602 0.917 0.528 CB 1.386 37 residues pruned to eliminate duplicates Z: 109 79.609 2.304 0.770 0.645 0.944 0.620 CB 1.738 109 residues pruned to eliminate duplicates Z: 35 26.906 2.053 0.361 0.659 0.971 0.559 CB 1.469 35 residues pruned to eliminate duplicates Z: 109 75.943 2.293 0.786 0.644 0.907 0.574 CB 1.718 109 residues pruned to eliminate duplicates Z: 109 79.879 2.302 0.842 0.638 0.917 0.583 CB 1.737 109 residues pruned to eliminate duplicates Z: 59 39.812 2.092 0.694 0.598 0.897 0.534 CB 1.498 59 residues pruned to eliminate duplicates Z: 107 78.246 2.339 0.730 0.663 0.915 0.594 CB 1.765 107 residues pruned to eliminate duplicates Z: 112 79.797 2.292 0.741 0.671 0.946 0.577 CB 1.712 112 residues pruned to eliminate duplicates Z: 102 79.485 2.314 0.854 0.637 0.921 0.594 CB 1.760 102 residues pruned to eliminate duplicates Z: 62 75.367 2.441 1.040 0.654 0.902 0.623 CB 1.861 62 residues pruned to eliminate duplicates Z: 96 73.341 2.309 0.764 0.641 0.916 0.579 CB 1.769 96 residues pruned to eliminate duplicates Z: 43 57.620 2.386 0.905 0.654 0.905 0.500 CB 1.873 43 residues pruned to eliminate duplicates Z: 48 63.642 2.385 1.023 0.741 0.872 0.617 CB 1.777 48 residues pruned to eliminate duplicates Z: 35 36.126 2.212 0.996 0.555 0.794 0.588 CB 1.674 35 residues pruned to eliminate duplicates Z: 33 45.768 2.247 1.177 0.592 0.906 0.562 CB 1.672 33 residues pruned to eliminate duplicates Z: 56 83.465 2.482 1.059 0.697 0.945 0.673 CA 1.945 56 residues pruned to eliminate duplicates Z: 66 73.248 2.388 1.014 0.631 0.892 0.585 CA 1.873 66 residues pruned to eliminate duplicates Z: 65 76.587 2.438 1.021 0.635 0.922 0.672 CB 1.857 65 residues pruned to eliminate duplicates Z: 68 90.692 2.465 0.964 0.715 0.985 0.642 CB 1.912 68 residues pruned to eliminate duplicates Z: 41 40.552 2.249 1.093 0.585 0.750 0.475 CB 1.673 41 residues pruned to eliminate duplicates Z: 38 49.886 2.380 0.863 0.665 0.919 0.405 CB 1.728 29 residues pruned to eliminate duplicates Z: 21 73.568 2.559 1.357 0.927 1.000 0.800 CA 1.911 21 residues pruned to eliminate duplicates Z: 107 80.857 2.327 0.819 0.652 0.934 0.585 CB 1.724 107 residues pruned to eliminate duplicates Z: 67 64.021 2.245 0.935 0.713 0.894 0.470 CB 1.672 197 residues pruned to eliminate duplicates Z: 21 68.797 2.548 1.471 0.909 0.900 0.400 CA 1.927 21 residues pruned to eliminate duplicates Z: 62 78.487 2.447 0.986 0.665 0.934 0.639 CB 1.899 62 residues pruned to eliminate duplicates Z: 63 86.089 2.427 1.147 0.664 0.968 0.565 CB 1.862 63 residues pruned to eliminate duplicates Z: 36 49.637 2.379 0.866 0.685 0.943 0.657 CB 1.693 35 residues pruned to eliminate duplicates Z: 22 69.441 2.559 1.337 0.834 1.000 0.429 CB 1.899 22 residues pruned to eliminate duplicates Z: 36 48.673 2.339 0.975 0.684 0.857 0.343 CB 1.755 36 residues pruned to eliminate duplicates Z: 60 82.408 2.464 1.085 0.679 0.915 0.458 CB 1.935 60 residues pruned to eliminate duplicates Z: 61 83.268 2.436 1.065 0.686 0.950 0.650 CB 1.897 61 residues pruned to eliminate duplicates Z: 70 87.999 2.470 1.032 0.692 0.928 0.580 CB 1.909 70 residues pruned to eliminate duplicates Z: 62 78.646 2.423 1.075 0.672 0.918 0.541 CB 1.862 62 residues pruned to eliminate duplicates Z: 62 79.688 2.421 1.080 0.674 0.918 0.623 CA 1.879 62 residues pruned to eliminate duplicates Z: 62 83.022 2.438 1.114 0.661 0.934 0.607 CA 1.901 62 residues pruned to eliminate duplicates Z: 62 78.956 2.425 0.931 0.668 0.967 0.738 CA 1.910 55 residues pruned to eliminate duplicates Z: 17 38.598 2.320 1.085 0.765 1.000 0.812 CA 1.577 17 residues pruned to eliminate duplicates Z: 109 79.306 2.304 0.766 0.657 0.935 0.620 CB 1.733 109 residues pruned to eliminate duplicates Z: 108 79.252 2.315 0.798 0.668 0.897 0.598 CB 1.756 96 residues pruned to eliminate duplicates Z: 15 32.860 2.379 0.848 0.829 1.000 0.786 CA 1.504 15 residues pruned to eliminate duplicates Z: 74 84.880 2.468 0.907 0.697 0.932 0.699 CB 1.894 74 residues pruned to eliminate duplicates Z: 99 72.299 2.285 0.852 0.620 0.898 0.622 CB 1.716 99 residues pruned to eliminate duplicates Z: 102 75.460 2.300 0.782 0.640 0.911 0.594 CB 1.763 102 residues pruned to eliminate duplicates Z: 110 78.130 2.320 0.760 0.662 0.917 0.569 CB 1.718 110 residues pruned to eliminate duplicates Z: 60 81.970 2.475 1.011 0.674 0.932 0.678 CB 1.959 60 residues pruned to eliminate duplicates Z: 101 72.389 2.270 0.782 0.625 0.920 0.650 CB 1.728 101 residues pruned to eliminate duplicates Z: 59 47.482 2.186 0.775 0.589 0.914 0.621 CB 1.615 59 residues pruned to eliminate duplicates Z: 38 51.190 2.392 0.981 0.616 0.865 0.486 CA 1.841 38 residues pruned to eliminate duplicates Z: 79 88.158 2.414 0.971 0.682 0.949 0.590 CB 1.870 79 residues pruned to eliminate duplicates Z: 72 81.240 2.413 0.976 0.668 0.930 0.577 CB 1.863 72 residues pruned to eliminate duplicates Z: 67 69.990 2.400 0.865 0.607 0.955 0.727 CB 1.823 67 residues pruned to eliminate duplicates Z: 110 78.791 2.307 0.757 0.666 0.917 0.642 CB 1.741 110 residues pruned to eliminate duplicates Z: 60 45.403 2.209 0.699 0.598 0.898 0.644 CB 1.597 60 residues pruned to eliminate duplicates Z: 76 86.389 2.453 0.863 0.691 0.973 0.600 CB 1.883 73 residues pruned to eliminate duplicates Z: 14 26.928 2.301 0.522 0.758 0.923 0.692 CB 1.837 14 residues pruned to eliminate duplicates Z: 75 71.847 2.391 0.862 0.664 0.878 0.689 CB 1.835 75 residues pruned to eliminate duplicates Z: 92 74.407 2.311 0.792 0.643 0.956 0.582 CB 1.724 92 residues pruned to eliminate duplicates Z: 73 47.967 2.193 0.614 0.607 0.889 0.597 CB 1.623 73 residues pruned to eliminate duplicates Z: 62 78.367 2.448 1.025 0.652 0.918 0.672 CB 1.914 62 residues pruned to eliminate duplicates Z: 37 46.258 2.360 0.835 0.586 0.917 0.611 CB 1.789 37 residues pruned to eliminate duplicates Z: 100 68.386 2.262 0.701 0.628 0.929 0.576 CB 1.704 100 residues pruned to eliminate duplicates Z: 39 53.240 2.328 0.945 0.703 0.868 0.605 CB 1.825 39 residues pruned to eliminate duplicates Z: 34 53.781 2.357 0.989 0.778 0.909 0.545 CB 1.719 34 residues pruned to eliminate duplicates Z: 75 85.551 2.486 0.923 0.701 0.919 0.635 CB 1.886 75 residues pruned to eliminate duplicates Z: 36 42.809 2.324 0.953 0.608 0.857 0.571 CB 1.678 9 residues pruned to eliminate duplicates Z: 11 22.281 2.319 0.318 0.876 0.900 0.700 CB 1.860 11 residues pruned to eliminate duplicates Z: 15 16.673 2.140 0.346 0.724 0.786 0.571 CA 1.609 15 residues pruned to eliminate duplicates Z: 35 43.336 2.292 1.002 0.622 0.824 0.412 CA 1.752 35 residues pruned to eliminate duplicates Z: 37 48.736 2.260 0.994 0.625 0.917 0.417 CB 1.747 32 residues pruned to eliminate duplicates Z: 18 24.881 2.141 0.364 0.825 0.941 0.647 CB 1.658 18 residues pruned to eliminate duplicates Z: 36 49.345 2.304 1.181 0.646 0.857 0.457 CB 1.690 36 residues pruned to eliminate duplicates 224 residues left after pruning, divided into chains as follows: A: 7 B: 68 C: 41 D: 108 CC for partial structure against native data = 26.01 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.632, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.722, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.725, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.732, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 0.734, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 0.738, Connect. = 0.808 for dens.mod. cycle 7 = 0.300, Contrast = 0.739, Connect. = 0.809 for dens.mod. cycle 8 = 0.300, Contrast = 0.740, Connect. = 0.811 for dens.mod. cycle 9 = 0.300, Contrast = 0.740, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1962 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 452 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 69.849 2.607 1.215 0.895 1.000 0.526 CA 1.988 B: 21 51.922 2.402 1.134 0.849 0.950 0.750 CA 1.768 21 residues pruned to eliminate duplicates C: 19 66.982 2.625 1.292 0.950 0.944 0.833 CA 1.917 19 residues pruned to eliminate duplicates D: 21 64.262 2.511 1.256 0.911 0.950 0.700 CA 1.892 20 residues pruned to eliminate duplicates E: 19 65.933 2.635 1.210 0.941 0.944 0.667 CA 1.961 20 residues pruned to eliminate duplicates F: 19 78.894 2.646 1.412 0.952 1.000 0.889 CA 2.006 20 residues pruned to eliminate duplicates G: 17 38.992 2.330 1.136 0.777 0.938 0.625 CA 1.636 H: 21 50.161 2.501 0.845 0.859 0.950 0.700 CA 1.883 21 residues pruned to eliminate duplicates I: 13 31.802 2.332 0.580 0.884 0.917 0.583 CA 1.964 J: 22 47.055 2.383 0.966 0.881 1.000 0.857 CA 1.587 22 residues pruned to eliminate duplicates K: 21 57.861 2.526 0.953 0.921 1.000 0.800 CA 1.846 20 residues pruned to eliminate duplicates L: 16 40.264 2.410 0.857 0.861 1.000 0.800 CA 1.707 16 residues pruned to eliminate duplicates M: 15 29.194 2.331 0.719 0.842 0.857 0.714 CB 1.693 N: 21 50.465 2.490 1.061 0.866 0.900 0.750 CA 1.789 21 residues pruned to eliminate duplicates O: 20 72.567 2.610 1.240 0.932 1.000 0.947 CA 1.989 20 residues pruned to eliminate duplicates P: 13 29.539 2.328 0.547 0.828 1.000 0.667 CB 1.783 13 residues pruned to eliminate duplicates Q: 21 67.140 2.531 1.253 0.919 1.000 0.850 CA 1.856 21 residues pruned to eliminate duplicates R: 18 17.672 2.068 0.227 0.819 0.824 0.588 CB 1.554 18 residues pruned to eliminate duplicates S: 15 22.950 2.249 0.207 0.880 0.929 0.643 CB 1.764 15 residues pruned to eliminate duplicates T: 14 33.349 2.379 0.856 0.837 0.923 0.692 CA 1.697 14 residues pruned to eliminate duplicates U: 20 63.395 2.593 1.044 0.895 1.000 0.632 CB 1.967 20 residues pruned to eliminate duplicates V: 13 45.105 2.461 1.269 0.874 1.000 0.750 CA 1.697 17 residues pruned to eliminate duplicates W: 17 29.008 2.136 0.543 0.862 0.938 0.875 CB 1.723 16 residues pruned to eliminate duplicates X: 21 64.234 2.522 1.180 0.926 1.000 0.900 CA 1.832 21 residues pruned to eliminate duplicates Y: 14 25.957 2.219 0.673 0.850 0.846 0.692 CB 1.698 14 residues pruned to eliminate duplicates Z: 22 58.697 2.439 1.265 0.844 0.952 0.619 CB 1.810 22 residues pruned to eliminate duplicates Z: 17 21.206 2.125 0.318 0.805 0.938 0.562 CB 1.548 17 residues pruned to eliminate duplicates Z: 19 65.275 2.601 1.253 0.947 0.944 0.778 CB 1.921 19 residues pruned to eliminate duplicates Z: 16 42.961 2.369 0.986 0.886 1.000 0.933 CA 1.700 16 residues pruned to eliminate duplicates Z: 12 29.809 2.433 0.463 0.910 0.909 0.727 CB 1.970 12 residues pruned to eliminate duplicates Z: 15 38.014 2.446 0.799 0.879 1.000 0.786 CA 1.674 13 residues pruned to eliminate duplicates Z: 67 50.388 2.155 0.751 0.731 0.924 0.500 CB 1.445 Z: 14 25.675 2.324 0.417 0.878 0.923 0.538 CB 1.700 14 residues pruned to eliminate duplicates Z: 13 23.784 2.348 0.265 0.833 0.917 0.583 CA 1.893 13 residues pruned to eliminate duplicates Z: 16 16.181 2.210 0.220 0.753 0.800 0.600 CB 1.547 16 residues pruned to eliminate duplicates Z: 15 34.583 2.466 0.817 0.893 0.929 0.786 CA 1.595 15 residues pruned to eliminate duplicates Z: 12 27.223 2.385 0.506 0.826 0.909 0.364 CB 1.896 12 residues pruned to eliminate duplicates Z: 15 44.470 2.441 1.003 0.875 1.000 0.643 CA 1.768 15 residues pruned to eliminate duplicates Z: 18 21.364 2.167 0.433 0.693 0.941 0.765 CB 1.486 18 residues pruned to eliminate duplicates Z: 15 21.372 2.240 0.176 0.903 0.857 0.786 CB 1.803 15 residues pruned to eliminate duplicates Z: 15 44.558 2.495 1.087 0.837 1.000 0.714 CA 1.711 15 residues pruned to eliminate duplicates Z: 18 30.837 2.244 0.674 0.714 1.000 0.765 CB 1.641 18 residues pruned to eliminate duplicates Z: 21 35.486 2.272 0.884 0.914 0.900 0.550 CB 1.457 21 residues pruned to eliminate duplicates Z: 15 46.912 2.433 1.188 0.841 1.000 0.857 CA 1.757 15 residues pruned to eliminate duplicates Z: 20 62.007 2.544 1.074 0.910 1.000 0.789 CA 1.912 20 residues pruned to eliminate duplicates Z: 20 53.779 2.570 0.940 0.886 0.947 0.684 CA 1.884 20 residues pruned to eliminate duplicates Z: 22 41.911 2.268 1.071 0.937 0.905 0.524 CB 1.498 22 residues pruned to eliminate duplicates Z: 23 30.917 2.252 0.836 0.903 0.818 0.636 CB 1.389 23 residues pruned to eliminate duplicates Z: 7 10.036 2.017 0.052 0.816 1.000 0.833 CA 1.467 Z: 15 42.925 2.450 1.211 0.834 0.857 0.786 CA 1.853 15 residues pruned to eliminate duplicates Z: 15 39.436 2.436 1.045 0.857 0.929 0.786 CA 1.680 15 residues pruned to eliminate duplicates Z: 12 18.818 2.197 0.199 0.793 1.000 0.727 CA 1.666 Z: 21 42.000 2.379 0.981 0.950 0.900 0.450 CB 1.527 21 residues pruned to eliminate duplicates Z: 17 20.134 2.139 0.408 0.836 0.875 0.375 CB 1.429 Z: 16 29.117 2.189 0.635 0.810 1.000 0.800 CB 1.603 16 residues pruned to eliminate duplicates Z: 20 41.469 2.356 0.760 0.947 1.000 0.684 CB 1.586 20 residues pruned to eliminate duplicates Z: 14 17.375 2.047 0.235 0.804 0.923 0.615 CA 1.584 11 residues pruned to eliminate duplicates Z: 22 39.393 2.322 0.836 0.920 0.952 0.524 CB 1.491 22 residues pruned to eliminate duplicates Z: 13 30.997 2.252 0.763 0.863 0.917 0.583 O 1.805 13 residues pruned to eliminate duplicates Z: 19 24.702 2.170 0.649 0.638 0.889 0.667 CB 1.609 19 residues pruned to eliminate duplicates Z: 14 17.813 2.077 0.150 0.805 1.000 0.846 CB 1.586 13 residues pruned to eliminate duplicates Z: 68 48.345 2.158 0.638 0.738 0.955 0.627 CB 1.412 68 residues pruned to eliminate duplicates Z: 14 29.466 2.288 0.501 0.838 1.000 0.769 CA 1.779 14 residues pruned to eliminate duplicates Z: 21 37.503 2.345 0.999 0.932 0.850 0.500 CB 1.470 21 residues pruned to eliminate duplicates Z: 14 21.832 2.308 0.256 0.875 0.923 0.615 CB 1.645 14 residues pruned to eliminate duplicates Z: 12 18.524 2.257 0.113 0.821 1.000 0.727 CA 1.683 12 residues pruned to eliminate duplicates Z: 23 41.392 2.263 0.871 0.926 1.000 0.636 CB 1.462 23 residues pruned to eliminate duplicates Z: 7 12.559 1.911 0.339 0.864 1.000 0.833 CB 1.468 7 residues pruned to eliminate duplicates Z: 13 28.359 2.065 1.102 0.918 1.000 0.917 CB 1.330 Z: 21 38.672 2.338 0.798 0.925 0.950 0.400 CB 1.520 21 residues pruned to eliminate duplicates Z: 22 48.409 2.388 1.067 0.946 0.952 0.714 CB 1.554 22 residues pruned to eliminate duplicates Z: 13 16.024 2.093 0.091 0.838 1.000 0.833 CA 1.514 Z: 21 61.271 2.441 1.331 0.913 1.000 0.700 CA 1.704 20 residues pruned to eliminate duplicates Z: 15 27.990 2.348 0.436 0.858 0.929 0.714 CB 1.760 14 residues pruned to eliminate duplicates Z: 20 75.262 2.556 1.384 0.928 1.000 0.789 CB 1.985 20 residues pruned to eliminate duplicates Z: 13 17.185 2.186 0.294 0.805 0.917 0.583 CA 1.466 13 residues pruned to eliminate duplicates Z: 13 19.159 2.172 0.248 0.827 0.917 0.667 CA 1.678 14 residues pruned to eliminate duplicates Z: 23 38.452 2.279 0.783 0.896 0.955 0.636 CB 1.514 23 residues pruned to eliminate duplicates Z: 13 27.946 2.281 0.465 0.893 0.917 0.750 CB 1.890 13 residues pruned to eliminate duplicates Z: 13 15.925 1.714 0.501 0.845 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 12 18.420 2.082 0.469 0.828 0.909 0.818 CA 1.504 13 residues pruned to eliminate duplicates Z: 14 27.125 2.404 0.386 0.922 0.923 0.692 CB 1.721 14 residues pruned to eliminate duplicates Z: 13 29.613 2.218 0.488 0.897 1.000 0.917 O 1.854 13 residues pruned to eliminate duplicates Z: 17 29.192 2.150 0.541 0.869 1.000 0.625 CB 1.609 17 residues pruned to eliminate duplicates Z: 22 33.589 2.343 0.544 0.921 0.952 0.810 CB 1.497 22 residues pruned to eliminate duplicates Z: 12 23.473 1.963 0.732 0.880 1.000 0.727 CB 1.508 12 residues pruned to eliminate duplicates Z: 15 24.195 2.084 0.483 0.806 1.000 0.714 CB 1.602 15 residues pruned to eliminate duplicates Z: 23 32.576 2.205 1.055 0.887 0.909 0.409 CB 1.215 23 residues pruned to eliminate duplicates Z: 9 5.659 2.039 0.204 0.302 0.750 0.375 CB 1.355 9 residues pruned to eliminate duplicates Z: 14 20.600 2.231 0.568 0.861 0.692 0.615 CB 1.734 14 residues pruned to eliminate duplicates Z: 10 21.780 2.339 0.402 0.860 1.000 0.778 CB 1.627 10 residues pruned to eliminate duplicates Z: 13 18.061 2.239 0.326 0.836 0.833 0.833 CB 1.578 13 residues pruned to eliminate duplicates Z: 22 34.513 2.235 0.681 0.883 0.905 0.762 CA 1.601 22 residues pruned to eliminate duplicates Z: 14 49.593 2.521 1.158 0.857 1.000 0.615 CA 1.863 15 residues pruned to eliminate duplicates Z: 19 36.640 2.480 0.887 0.699 0.889 0.778 CA 1.731 16 residues pruned to eliminate duplicates Z: 7 10.615 2.035 -0.001 0.871 1.000 0.667 CB 1.555 7 residues pruned to eliminate duplicates Z: 19 25.239 2.201 0.573 0.698 0.889 0.611 CB 1.614 19 residues pruned to eliminate duplicates Z: 23 27.904 2.187 0.361 0.922 0.955 0.909 CA 1.472 23 residues pruned to eliminate duplicates Z: 14 14.838 1.973 0.456 0.852 0.846 0.692 CB 1.252 11 residues pruned to eliminate duplicates Z: 14 32.550 2.147 0.697 0.847 1.000 0.462 CB 1.840 13 residues pruned to eliminate duplicates Z: 18 15.370 2.049 0.186 0.859 0.824 0.529 CB 1.370 17 residues pruned to eliminate duplicates Z: 15 19.434 1.963 0.462 0.848 1.000 0.429 CB 1.342 Z: 22 33.075 2.310 0.486 0.882 1.000 0.762 CB 1.522 22 residues pruned to eliminate duplicates Z: 15 26.614 2.314 0.640 0.800 0.857 0.571 CB 1.682 15 residues pruned to eliminate duplicates Z: 23 39.385 2.282 0.812 0.933 0.955 0.455 CB 1.484 23 residues pruned to eliminate duplicates Z: 15 29.810 2.273 0.572 0.860 0.929 0.786 CA 1.767 15 residues pruned to eliminate duplicates Z: 19 67.832 2.582 1.364 0.937 0.944 0.333 CB 1.930 19 residues pruned to eliminate duplicates Z: 12 21.417 2.243 0.292 0.817 1.000 0.818 CA 1.691 14 residues pruned to eliminate duplicates Z: 11 12.446 1.800 0.328 0.914 1.000 0.900 CB 1.165 11 residues pruned to eliminate duplicates Z: 96 76.508 2.371 0.741 0.649 0.947 0.537 CB 1.747 88 residues pruned to eliminate duplicates Z: 16 22.961 2.090 0.434 0.806 1.000 0.600 CB 1.515 Z: 14 19.107 2.064 0.449 0.805 0.923 0.692 CB 1.472 15 residues pruned to eliminate duplicates Z: 20 38.997 2.010 1.007 0.952 1.000 0.474 CB 1.527 Z: 12 18.112 1.876 0.484 0.901 0.909 0.636 CB 1.540 12 residues pruned to eliminate duplicates Z: 15 20.332 1.813 0.975 0.884 1.000 0.786 CB 1.096 15 residues pruned to eliminate duplicates Z: 11 17.274 2.100 0.308 0.820 0.900 0.800 CB 1.674 11 residues pruned to eliminate duplicates Z: 56 38.754 2.249 0.488 0.618 0.873 0.636 CB 1.601 56 residues pruned to eliminate duplicates Z: 11 16.364 1.938 0.472 0.909 0.900 0.900 CB 1.430 11 residues pruned to eliminate duplicates Z: 15 24.724 1.818 1.244 0.920 1.000 0.571 CB 1.141 15 residues pruned to eliminate duplicates Z: 21 27.682 1.923 0.707 0.921 0.950 0.700 CA 1.396 21 residues pruned to eliminate duplicates Z: 13 20.935 2.222 0.255 0.843 1.000 0.917 CB 1.613 13 residues pruned to eliminate duplicates Z: 11 15.319 2.019 0.233 0.862 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 19 30.172 2.227 0.669 0.761 0.944 0.722 CB 1.607 19 residues pruned to eliminate duplicates Z: 22 36.703 2.315 0.890 0.925 0.952 0.476 CB 1.349 22 residues pruned to eliminate duplicates Z: 14 31.358 2.233 0.743 0.803 1.000 0.923 CB 1.714 14 residues pruned to eliminate duplicates Z: 6 10.645 2.071 0.218 0.844 1.000 0.600 CA 1.404 6 residues pruned to eliminate duplicates Z: 14 27.381 2.306 0.426 0.820 1.000 0.692 CB 1.750 14 residues pruned to eliminate duplicates Z: 20 29.392 2.013 0.700 0.923 0.947 0.842 CA 1.461 20 residues pruned to eliminate duplicates Z: 16 39.443 2.267 1.097 0.870 1.000 0.800 CA 1.563 16 residues pruned to eliminate duplicates Z: 39 24.185 1.998 0.453 0.560 0.921 0.579 CB 1.384 39 residues pruned to eliminate duplicates Z: 16 20.913 2.382 0.281 0.742 0.800 0.600 CB 1.780 16 residues pruned to eliminate duplicates Z: 12 21.200 2.181 0.447 0.874 0.909 0.636 CA 1.622 11 residues pruned to eliminate duplicates Z: 12 12.268 1.840 0.417 0.884 0.909 0.818 CB 1.128 12 residues pruned to eliminate duplicates Z: 22 48.775 2.377 1.012 0.864 1.000 0.857 CA 1.632 22 residues pruned to eliminate duplicates Z: 17 26.600 1.986 0.900 0.881 0.938 0.812 CA 1.362 17 residues pruned to eliminate duplicates Z: 14 14.974 2.013 0.164 0.803 1.000 0.923 CB 1.360 14 residues pruned to eliminate duplicates Z: 12 11.468 1.812 0.266 0.914 1.000 0.909 CB 1.066 12 residues pruned to eliminate duplicates Z: 18 23.644 2.048 0.480 0.822 0.941 0.588 CB 1.520 19 residues pruned to eliminate duplicates Z: 20 32.928 1.996 0.847 0.923 1.000 0.842 CA 1.440 20 residues pruned to eliminate duplicates Z: 10 9.234 1.720 0.221 0.887 1.000 0.556 CB 1.056 Z: 12 24.735 1.943 0.801 0.912 1.000 0.727 CB 1.509 12 residues pruned to eliminate duplicates Z: 20 46.819 2.400 1.012 0.883 1.000 0.842 CA 1.609 20 residues pruned to eliminate duplicates Z: 13 18.732 1.848 0.581 0.858 0.917 0.750 CB 1.486 13 residues pruned to eliminate duplicates Z: 13 24.577 1.812 0.909 0.852 1.000 0.500 N 1.517 13 residues pruned to eliminate duplicates Z: 11 11.174 1.973 0.093 0.829 0.900 0.800 CB 1.370 11 residues pruned to eliminate duplicates Z: 22 35.327 2.005 0.869 0.940 0.952 0.476 CA 1.499 20 residues pruned to eliminate duplicates Z: 20 35.619 1.965 1.100 0.949 0.947 0.368 CB 1.443 20 residues pruned to eliminate duplicates Z: 13 23.721 2.024 1.041 0.889 1.000 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 11 10.623 1.795 0.307 0.777 0.800 0.500 CB 1.402 11 residues pruned to eliminate duplicates Z: 11 19.829 2.094 0.398 0.896 1.000 0.900 CB 1.534 11 residues pruned to eliminate duplicates Z: 13 11.435 1.874 0.112 0.781 1.000 0.750 CB 1.236 13 residues pruned to eliminate duplicates Z: 11 17.450 2.177 0.206 0.786 1.000 0.800 CA 1.634 11 residues pruned to eliminate duplicates Z: 12 16.202 2.148 0.268 0.781 0.909 0.727 CA 1.540 12 residues pruned to eliminate duplicates Z: 7 4.493 1.802 -0.083 0.623 0.667 0.333 CA 1.483 7 residues pruned to eliminate duplicates Z: 12 15.699 2.171 0.201 0.810 0.909 0.818 CA 1.525 12 residues pruned to eliminate duplicates Z: 19 26.853 2.089 0.460 0.830 1.000 0.611 CB 1.560 18 residues pruned to eliminate duplicates Z: 21 30.852 2.037 0.819 0.926 0.900 0.700 CA 1.451 21 residues pruned to eliminate duplicates Z: 13 19.359 2.006 0.664 0.885 1.000 0.917 CB 1.209 12 residues pruned to eliminate duplicates Z: 38 52.384 2.352 0.910 0.717 0.892 0.486 CB 1.766 38 residues pruned to eliminate duplicates Z: 6 4.167 1.520 1.148 0.376 0.800 0.400 CB 0.814 Z: 12 11.519 1.970 -0.053 0.871 1.000 0.909 CB 1.358 12 residues pruned to eliminate duplicates Z: 54 43.551 2.264 0.541 0.608 0.981 0.604 CB 1.576 54 residues pruned to eliminate duplicates Z: 15 20.177 1.954 0.806 0.872 0.857 0.643 CB 1.299 14 residues pruned to eliminate duplicates Z: 10 13.531 2.005 0.978 0.820 0.778 0.778 CB 1.108 10 residues pruned to eliminate duplicates Z: 11 12.631 1.661 0.376 0.872 1.000 0.800 CB 1.274 10 residues pruned to eliminate duplicates Z: 13 25.766 2.035 1.306 0.933 0.917 0.833 CB 1.207 13 residues pruned to eliminate duplicates Z: 13 23.555 2.022 0.716 0.888 1.000 0.667 CB 1.412 13 residues pruned to eliminate duplicates Z: 12 19.226 2.215 0.239 0.843 1.000 0.727 CA 1.573 12 residues pruned to eliminate duplicates Z: 21 42.612 2.316 1.108 0.921 0.950 0.600 CB 1.445 21 residues pruned to eliminate duplicates Z: 15 26.334 2.241 0.494 0.886 0.857 0.786 CB 1.770 15 residues pruned to eliminate duplicates Z: 11 13.769 1.700 0.505 0.888 1.000 0.700 CB 1.226 11 residues pruned to eliminate duplicates Z: 12 18.076 2.095 0.467 0.897 1.000 0.909 CB 1.269 12 residues pruned to eliminate duplicates Z: 66 61.809 2.218 0.760 0.774 1.000 0.677 CB 1.542 67 residues pruned to eliminate duplicates Z: 12 24.229 2.089 0.795 0.890 1.000 0.545 CB 1.401 15 residues pruned to eliminate duplicates Z: 57 66.592 2.435 0.735 0.697 0.946 0.661 CB 1.860 54 residues pruned to eliminate duplicates Z: 20 26.996 1.965 0.654 0.868 1.000 0.737 CA 1.393 20 residues pruned to eliminate duplicates Z: 13 11.453 1.676 0.358 0.918 0.917 0.833 CB 1.117 13 residues pruned to eliminate duplicates Z: 7 4.749 1.786 0.277 0.433 0.667 0.500 N 1.367 Z: 12 11.608 1.998 0.165 0.765 0.909 0.727 CB 1.307 10 residues pruned to eliminate duplicates Z: 9 13.064 2.060 0.273 0.754 0.875 0.750 CB 1.605 9 residues pruned to eliminate duplicates Z: 15 32.376 2.204 0.820 0.762 1.000 0.786 CB 1.709 15 residues pruned to eliminate duplicates Z: 9 15.443 1.841 0.841 0.828 0.875 0.625 CA 1.387 7 residues pruned to eliminate duplicates Z: 14 10.198 1.794 0.101 0.758 0.846 0.692 CB 1.346 13 residues pruned to eliminate duplicates Z: 13 11.546 1.632 0.319 0.870 1.000 0.917 CB 1.130 13 residues pruned to eliminate duplicates Z: 20 23.454 1.946 0.455 0.937 1.000 0.947 CA 1.322 20 residues pruned to eliminate duplicates Z: 10 9.435 1.589 0.395 0.892 0.889 0.556 CB 1.148 10 residues pruned to eliminate duplicates Z: 17 23.531 2.161 0.378 0.805 1.000 0.750 CB 1.514 17 residues pruned to eliminate duplicates Z: 17 30.577 2.176 0.563 0.844 1.000 0.750 CB 1.672 17 residues pruned to eliminate duplicates Z: 12 15.652 2.184 0.207 0.735 0.909 0.636 CA 1.595 12 residues pruned to eliminate duplicates Z: 17 21.388 2.107 0.286 0.821 1.000 0.562 CB 1.494 17 residues pruned to eliminate duplicates Z: 13 24.466 1.898 0.751 0.854 1.000 0.750 CB 1.570 12 residues pruned to eliminate duplicates Z: 41 62.813 2.429 0.937 0.707 0.900 0.400 CB 1.942 41 residues pruned to eliminate duplicates Z: 15 35.878 2.326 0.686 0.877 1.000 0.857 CA 1.775 16 residues pruned to eliminate duplicates Z: 20 30.018 1.993 0.838 0.910 0.895 0.526 CB 1.490 20 residues pruned to eliminate duplicates Z: 20 32.794 2.024 0.898 0.925 0.895 0.526 CA 1.536 20 residues pruned to eliminate duplicates Z: 20 26.084 1.962 0.520 0.927 1.000 0.842 CA 1.405 20 residues pruned to eliminate duplicates Z: 18 20.108 2.079 0.295 0.779 0.941 0.588 CB 1.505 18 residues pruned to eliminate duplicates Z: 17 18.294 2.026 0.363 0.786 0.875 0.562 CB 1.472 17 residues pruned to eliminate duplicates Z: 23 31.562 2.255 0.445 0.914 1.000 0.864 CA 1.461 23 residues pruned to eliminate duplicates Z: 12 17.613 2.036 0.770 0.896 1.000 0.909 CB 1.056 12 residues pruned to eliminate duplicates Z: 15 48.144 2.426 1.292 0.909 1.000 0.857 CA 1.642 15 residues pruned to eliminate duplicates Z: 6 6.370 1.571 0.410 0.772 0.800 0.600 CB 1.263 6 residues pruned to eliminate duplicates Z: 12 9.664 1.868 0.461 0.688 0.818 0.636 CB 1.098 Z: 13 21.732 1.875 0.584 0.870 1.000 0.667 CB 1.542 13 residues pruned to eliminate duplicates Z: 15 17.353 1.901 0.461 0.904 1.000 0.643 CB 1.190 14 residues pruned to eliminate duplicates Z: 55 64.147 2.405 0.807 0.695 0.889 0.667 CB 1.891 55 residues pruned to eliminate duplicates Z: 16 19.603 1.895 0.367 0.894 1.000 0.800 CA 1.402 16 residues pruned to eliminate duplicates Z: 12 17.183 2.186 0.252 0.792 1.000 0.727 CA 1.465 12 residues pruned to eliminate duplicates Z: 12 19.758 1.867 0.766 0.859 0.909 0.727 CB 1.462 12 residues pruned to eliminate duplicates Z: 21 31.998 1.993 0.808 0.926 1.000 0.850 CA 1.393 22 residues pruned to eliminate duplicates Z: 15 21.425 1.935 0.668 0.915 1.000 0.429 CB 1.254 15 residues pruned to eliminate duplicates Z: 19 15.922 1.923 0.365 0.760 0.833 0.667 CB 1.362 19 residues pruned to eliminate duplicates Z: 21 22.453 1.743 0.908 0.954 0.950 0.650 CB 1.093 Z: 16 23.791 1.919 0.754 0.884 1.000 0.733 CB 1.318 16 residues pruned to eliminate duplicates Z: 21 47.353 2.352 1.078 0.952 0.950 0.450 CB 1.570 21 residues pruned to eliminate duplicates Z: 18 24.209 2.214 0.519 0.716 0.941 0.765 CB 1.526 18 residues pruned to eliminate duplicates Z: 15 22.446 2.163 0.528 0.853 0.929 0.500 CB 1.444 15 residues pruned to eliminate duplicates Z: 11 16.338 1.818 0.484 0.922 1.000 0.900 CB 1.347 11 residues pruned to eliminate duplicates Z: 9 8.814 1.909 0.219 0.783 0.875 0.375 CB 1.194 8 residues pruned to eliminate duplicates Z: 12 15.983 2.081 0.553 0.768 1.000 0.364 CB 1.176 12 residues pruned to eliminate duplicates Z: 21 20.777 1.714 0.875 0.930 0.950 0.500 CB 1.064 21 residues pruned to eliminate duplicates Z: 8 11.072 1.819 0.255 0.803 1.000 0.571 CA 1.407 8 residues pruned to eliminate duplicates Z: 20 19.748 1.707 0.838 0.932 0.947 0.789 CB 1.064 20 residues pruned to eliminate duplicates Z: 85 68.589 2.391 0.788 0.596 0.893 0.619 CB 1.790 85 residues pruned to eliminate duplicates Z: 20 31.702 2.003 0.824 0.924 0.947 0.737 CA 1.476 20 residues pruned to eliminate duplicates Z: 13 24.432 2.008 0.840 0.903 0.917 0.500 CA 1.484 13 residues pruned to eliminate duplicates Z: 16 12.672 1.949 0.044 0.700 0.933 0.733 CA 1.435 16 residues pruned to eliminate duplicates Z: 10 5.959 1.808 0.321 0.825 0.778 0.444 CB 0.807 11 residues pruned to eliminate duplicates Z: 8 10.357 1.768 0.174 0.842 1.000 0.714 CA 1.405 8 residues pruned to eliminate duplicates Z: 21 21.032 1.714 0.796 0.949 0.950 0.650 CB 1.110 21 residues pruned to eliminate duplicates Z: 16 16.596 1.763 0.765 0.933 0.933 0.733 CB 1.029 16 residues pruned to eliminate duplicates Z: 17 18.650 1.819 0.569 0.870 0.875 0.562 CA 1.362 16 residues pruned to eliminate duplicates Z: 33 19.156 1.917 0.290 0.670 0.938 0.781 CB 1.249 30 residues pruned to eliminate duplicates Z: 54 72.609 2.445 0.800 0.736 0.962 0.660 CB 1.905 54 residues pruned to eliminate duplicates Z: 11 23.054 2.199 0.518 0.819 1.000 0.500 CA 1.656 11 residues pruned to eliminate duplicates Z: 20 13.480 1.756 0.508 0.656 0.947 0.789 CB 1.066 20 residues pruned to eliminate duplicates Z: 9 11.508 1.616 0.489 0.887 1.000 0.875 CB 1.219 9 residues pruned to eliminate duplicates Z: 13 11.338 1.639 0.354 0.879 0.917 0.833 CB 1.167 13 residues pruned to eliminate duplicates Z: 13 21.820 1.982 0.844 0.902 1.000 0.583 CB 1.229 13 residues pruned to eliminate duplicates Z: 16 22.188 2.301 0.315 0.691 0.933 0.733 CA 1.704 16 residues pruned to eliminate duplicates Z: 54 72.682 2.422 0.911 0.688 0.962 0.491 CB 1.887 54 residues pruned to eliminate duplicates Z: 10 11.657 1.737 0.324 0.903 1.000 0.667 CB 1.204 10 residues pruned to eliminate duplicates Z: 12 13.453 1.831 0.424 0.911 1.000 0.909 CB 1.103 12 residues pruned to eliminate duplicates Z: 8 13.813 1.724 0.623 0.898 1.000 0.857 CB 1.335 9 residues pruned to eliminate duplicates Z: 14 24.326 1.994 0.795 0.902 1.000 0.846 CB 1.344 14 residues pruned to eliminate duplicates Z: 16 14.717 1.763 0.580 0.921 0.933 0.667 CB 1.029 16 residues pruned to eliminate duplicates Z: 21 42.456 2.395 0.909 0.849 0.850 0.300 CB 1.810 21 residues pruned to eliminate duplicates Z: 20 76.701 2.571 1.464 0.949 1.000 0.421 CB 1.916 20 residues pruned to eliminate duplicates Z: 7 4.713 1.448 0.309 0.544 1.000 0.500 C 0.972 Z: 14 21.597 1.954 0.871 0.905 1.000 1.000 CB 1.166 14 residues pruned to eliminate duplicates Z: 11 8.522 1.495 0.380 0.863 1.000 0.700 CB 0.958 Z: 9 10.433 1.624 0.488 0.915 1.000 1.000 CB 1.078 10 residues pruned to eliminate duplicates Z: 108 74.065 2.328 0.698 0.636 0.925 0.542 CB 1.723 108 residues pruned to eliminate duplicates Z: 18 21.465 2.099 0.433 0.838 0.882 0.706 CB 1.466 18 residues pruned to eliminate duplicates Z: 13 24.840 2.023 1.024 0.912 1.000 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 13 17.288 1.801 0.399 0.856 1.000 0.750 CB 1.460 13 residues pruned to eliminate duplicates Z: 6 10.283 1.990 0.475 0.499 1.000 0.800 CB 1.569 6 residues pruned to eliminate duplicates Z: 57 49.997 2.248 0.759 0.743 0.911 0.589 CB 1.492 57 residues pruned to eliminate duplicates Z: 67 52.735 2.174 0.698 0.737 0.970 0.591 CB 1.465 67 residues pruned to eliminate duplicates Z: 14 19.092 1.931 0.495 0.893 1.000 0.923 CA 1.316 14 residues pruned to eliminate duplicates Z: 20 18.590 1.751 0.571 0.940 0.947 0.579 CB 1.136 20 residues pruned to eliminate duplicates Z: 9 9.631 1.832 0.721 0.853 0.875 0.875 CB 0.913 10 residues pruned to eliminate duplicates Z: 22 43.135 2.272 1.070 0.945 1.000 0.190 CB 1.386 22 residues pruned to eliminate duplicates Z: 16 19.701 1.786 0.949 0.947 1.000 0.267 CB 1.010 16 residues pruned to eliminate duplicates Z: 14 20.232 1.850 1.026 0.906 1.000 0.923 CB 1.065 14 residues pruned to eliminate duplicates Z: 17 16.219 2.001 0.209 0.768 0.938 0.438 CB 1.410 18 residues pruned to eliminate duplicates 6 1.940 1.613 0.270 0.287 0.600 0.600 CB 0.897 ? Z: 11 8.833 1.761 0.599 0.809 0.900 0.300 CB 0.842 10 residues pruned to eliminate duplicates Z: 13 27.192 2.250 0.670 0.879 0.917 0.750 CB 1.652 13 residues pruned to eliminate duplicates Z: 14 28.370 1.949 1.301 0.921 1.000 0.846 CB 1.235 14 residues pruned to eliminate duplicates Z: 6 6.581 2.044 0.156 0.777 1.000 0.800 CB 0.975 6 residues pruned to eliminate duplicates Z: 8 7.972 1.857 0.258 0.505 1.000 0.571 CB 1.283 4 residues pruned to eliminate duplicates Z: 19 31.483 2.060 0.827 0.910 0.944 0.500 CB 1.481 19 residues pruned to eliminate duplicates Z: 12 21.412 1.948 0.788 0.894 0.909 0.636 CB 1.463 12 residues pruned to eliminate duplicates Z: 24 33.959 2.199 0.627 0.916 1.000 0.826 CA 1.398 24 residues pruned to eliminate duplicates Z: 21 16.112 1.738 0.420 0.934 1.000 0.900 CB 1.018 21 residues pruned to eliminate duplicates Z: 13 19.362 2.146 0.347 0.821 1.000 0.833 CA 1.464 13 residues pruned to eliminate duplicates Z: 20 23.923 1.766 0.878 0.961 1.000 0.737 CB 1.132 20 residues pruned to eliminate duplicates Z: 51 47.726 2.181 0.729 0.788 0.960 0.660 CB 1.448 51 residues pruned to eliminate duplicates Z: 13 12.120 1.799 0.404 0.853 0.917 0.750 CB 1.117 13 residues pruned to eliminate duplicates Z: 21 28.735 2.022 0.637 0.905 0.950 0.550 CA 1.454 21 residues pruned to eliminate duplicates Z: 7 2.740 1.369 0.226 0.357 1.000 0.667 CB 0.777 Z: 14 17.273 2.094 0.328 0.785 1.000 0.769 CA 1.340 14 residues pruned to eliminate duplicates Z: 11 19.398 2.024 0.621 0.887 1.000 0.500 CB 1.349 11 residues pruned to eliminate duplicates Z: 17 20.309 1.813 0.808 0.943 1.000 0.438 CB 1.074 17 residues pruned to eliminate duplicates Z: 8 12.204 1.889 0.512 0.807 0.857 0.429 CB 1.441 8 residues pruned to eliminate duplicates Z: 19 34.353 1.990 1.136 0.895 1.000 0.611 CA 1.366 19 residues pruned to eliminate duplicates Z: 7 9.800 1.721 0.513 0.798 1.000 0.500 CA 1.184 7 residues pruned to eliminate duplicates Z: 22 26.112 1.902 0.544 0.919 1.000 0.952 CA 1.368 22 residues pruned to eliminate duplicates Z: 19 19.635 1.973 0.445 0.744 0.944 0.611 CB 1.381 18 residues pruned to eliminate duplicates Z: 8 8.230 1.704 -0.050 0.849 1.000 0.571 CA 1.424 7 residues pruned to eliminate duplicates Z: 22 35.884 2.314 0.485 0.936 1.000 0.857 CB 1.586 22 residues pruned to eliminate duplicates Z: 20 18.856 1.760 0.796 0.923 0.895 0.684 CB 1.075 20 residues pruned to eliminate duplicates Z: 28 46.699 2.438 0.695 0.767 0.963 0.778 CA 1.781 28 residues pruned to eliminate duplicates Z: 7 10.832 1.820 0.481 0.749 1.000 1.000 CA 1.313 7 residues pruned to eliminate duplicates Z: 10 13.834 1.917 0.299 0.864 1.000 0.444 CB 1.358 10 residues pruned to eliminate duplicates Z: 20 39.903 2.032 1.064 0.952 1.000 0.632 CA 1.503 22 residues pruned to eliminate duplicates Z: 15 16.327 1.703 0.833 0.923 1.000 0.786 CB 0.983 15 residues pruned to eliminate duplicates Z: 9 9.259 1.767 0.362 0.882 1.000 1.000 CB 0.984 9 residues pruned to eliminate duplicates Z: 21 33.661 1.980 0.803 0.945 1.000 0.800 CA 1.459 20 residues pruned to eliminate duplicates Z: 18 18.340 2.053 0.295 0.794 0.941 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 10 7.535 1.492 0.546 0.911 1.000 0.889 CB 0.771 Z: 64 39.639 2.163 0.582 0.595 0.841 0.524 CB 1.584 64 residues pruned to eliminate duplicates Z: 12 21.068 2.176 0.439 0.813 0.909 0.727 CB 1.700 12 residues pruned to eliminate duplicates Z: 20 21.828 1.776 0.869 0.957 1.000 0.737 CB 1.036 20 residues pruned to eliminate duplicates Z: 20 22.714 2.004 0.395 0.812 1.000 0.632 CB 1.420 20 residues pruned to eliminate duplicates Z: 13 5.570 1.687 0.376 0.255 0.667 0.333 CA 1.377 13 residues pruned to eliminate duplicates Z: 48 46.557 1.994 0.928 0.805 1.000 0.553 CB 1.354 47 residues pruned to eliminate duplicates Z: 19 33.429 1.867 1.099 0.907 1.000 0.500 CB 1.429 19 residues pruned to eliminate duplicates Z: 16 15.354 1.788 0.567 0.926 0.933 0.733 CB 1.063 16 residues pruned to eliminate duplicates Z: 14 21.678 2.032 0.682 0.846 0.923 0.692 CA 1.416 14 residues pruned to eliminate duplicates Z: 7 9.362 1.892 0.210 0.847 1.000 0.667 CB 1.239 7 residues pruned to eliminate duplicates Z: 13 22.131 2.010 0.997 0.901 0.917 0.750 CB 1.239 13 residues pruned to eliminate duplicates Z: 10 16.052 1.702 0.740 0.931 1.000 0.667 CB 1.263 10 residues pruned to eliminate duplicates Z: 49 63.240 2.504 0.747 0.651 0.917 0.562 CB 1.978 49 residues pruned to eliminate duplicates Z: 16 20.781 1.893 0.583 0.885 1.000 0.867 CB 1.292 16 residues pruned to eliminate duplicates Z: 9 10.855 1.695 0.681 0.886 1.000 0.875 CB 0.971 10 residues pruned to eliminate duplicates Z: 14 21.175 2.000 0.598 0.913 1.000 0.692 CB 1.300 14 residues pruned to eliminate duplicates 6 1.878 1.459 0.087 0.476 0.800 0.400 O 0.678 ? Z: 38 21.441 2.080 0.316 0.524 0.892 0.568 CB 1.409 38 residues pruned to eliminate duplicates Z: 13 16.343 2.091 0.278 0.847 0.917 0.750 CA 1.431 13 residues pruned to eliminate duplicates Z: 21 33.606 2.290 0.502 0.936 1.000 1.000 CA 1.521 21 residues pruned to eliminate duplicates Z: 13 20.116 2.179 0.389 0.812 0.917 0.500 CB 1.596 13 residues pruned to eliminate duplicates Z: 21 19.168 1.737 0.600 0.943 0.950 0.700 CB 1.125 21 residues pruned to eliminate duplicates Z: 14 17.144 2.179 0.246 0.777 0.846 0.615 CA 1.620 14 residues pruned to eliminate duplicates Z: 12 12.455 1.820 0.468 0.899 0.909 0.909 CB 1.105 12 residues pruned to eliminate duplicates Z: 11 7.198 1.391 0.421 0.852 1.000 0.700 CB 0.852 9 residues pruned to eliminate duplicates Z: 8 3.422 1.491 0.789 0.241 0.714 0.571 N 0.916 Z: 14 24.750 2.011 0.796 0.915 1.000 0.692 CB 1.342 14 residues pruned to eliminate duplicates Z: 98 74.701 2.363 0.755 0.631 0.907 0.588 CB 1.783 98 residues pruned to eliminate duplicates Z: 14 5.935 1.777 0.324 0.533 0.769 0.538 CB 0.881 14 residues pruned to eliminate duplicates Z: 17 27.172 2.149 0.533 0.824 0.938 0.750 CB 1.661 17 residues pruned to eliminate duplicates Z: 9 9.953 1.656 0.455 0.897 1.000 0.875 CB 1.045 9 residues pruned to eliminate duplicates Z: 20 13.974 1.728 0.266 0.935 1.000 0.947 CB 1.022 20 residues pruned to eliminate duplicates Z: 18 16.841 1.944 0.381 0.702 0.941 0.529 CB 1.345 18 residues pruned to eliminate duplicates Z: 78 54.215 2.352 0.506 0.607 0.896 0.636 CB 1.758 78 residues pruned to eliminate duplicates Z: 12 9.972 1.502 0.620 0.898 1.000 0.727 CB 0.884 12 residues pruned to eliminate duplicates Z: 11 6.726 1.426 0.231 0.911 1.000 0.800 CB 0.859 11 residues pruned to eliminate duplicates Z: 8 5.049 2.117 0.187 0.707 0.429 0.286 CB 1.469 8 residues pruned to eliminate duplicates Z: 7 11.209 1.544 0.662 0.852 1.000 0.667 N 1.319 7 residues pruned to eliminate duplicates Z: 11 10.415 1.759 0.562 0.908 1.000 0.700 CB 0.851 11 residues pruned to eliminate duplicates Z: 20 26.909 1.971 0.539 0.928 1.000 0.789 CA 1.425 20 residues pruned to eliminate duplicates Z: 10 6.109 1.548 0.491 0.571 0.667 0.667 CA 1.235 10 residues pruned to eliminate duplicates Z: 15 12.484 1.921 0.416 0.670 0.786 0.714 CB 1.334 15 residues pruned to eliminate duplicates Z: 15 29.053 2.410 0.470 0.800 0.929 0.714 CA 1.816 15 residues pruned to eliminate duplicates Z: 18 15.098 1.944 0.379 0.778 0.824 0.529 CB 1.298 19 residues pruned to eliminate duplicates Z: 9 5.359 1.543 -0.046 0.889 0.875 0.625 CB 1.059 9 residues pruned to eliminate duplicates Z: 28 7.870 1.690 0.167 0.500 0.778 0.481 CB 0.988 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.950 1.547 0.559 0.503 0.833 0.667 O 1.003 Z: 13 10.785 1.732 0.350 0.835 0.917 0.750 CB 1.087 13 residues pruned to eliminate duplicates Z: 67 49.610 2.177 0.593 0.734 0.970 0.788 CB 1.471 67 residues pruned to eliminate duplicates Z: 68 52.775 2.184 0.593 0.738 1.000 0.761 CB 1.497 68 residues pruned to eliminate duplicates Z: 68 52.003 2.195 0.575 0.723 0.985 0.746 CB 1.525 68 residues pruned to eliminate duplicates Z: 67 49.458 2.197 0.565 0.735 0.955 0.773 CB 1.502 67 residues pruned to eliminate duplicates Z: 36 38.148 2.178 0.545 0.838 1.000 0.857 CB 1.432 36 residues pruned to eliminate duplicates Z: 68 46.046 2.161 0.503 0.718 0.955 0.746 CB 1.489 68 residues pruned to eliminate duplicates Z: 23 17.414 1.890 0.360 0.642 0.955 0.727 CB 1.325 23 residues pruned to eliminate duplicates Z: 66 53.112 2.194 0.618 0.722 1.000 0.785 CB 1.519 66 residues pruned to eliminate duplicates Z: 39 33.871 2.171 0.554 0.762 0.921 0.789 CB 1.400 39 residues pruned to eliminate duplicates Z: 68 52.705 2.187 0.633 0.735 0.985 0.716 CB 1.481 68 residues pruned to eliminate duplicates Z: 67 52.583 2.192 0.597 0.751 1.000 0.712 CB 1.478 67 residues pruned to eliminate duplicates Z: 36 36.448 2.180 0.532 0.839 0.971 0.714 CB 1.419 36 residues pruned to eliminate duplicates Z: 68 52.679 2.190 0.640 0.728 0.955 0.731 CB 1.528 67 residues pruned to eliminate duplicates Z: 11 9.619 1.977 0.133 0.883 0.900 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 66 50.662 2.204 0.615 0.766 0.938 0.785 CB 1.486 66 residues pruned to eliminate duplicates Z: 66 54.208 2.205 0.630 0.753 0.985 0.769 CB 1.516 66 residues pruned to eliminate duplicates Z: 67 54.154 2.191 0.710 0.747 0.955 0.742 CB 1.494 67 residues pruned to eliminate duplicates Z: 36 33.551 2.157 0.542 0.814 0.943 0.629 CB 1.376 36 residues pruned to eliminate duplicates Z: 68 53.258 2.197 0.630 0.736 0.970 0.672 CB 1.514 68 residues pruned to eliminate duplicates Z: 68 54.421 2.183 0.755 0.716 0.970 0.672 CB 1.471 68 residues pruned to eliminate duplicates Z: 64 58.368 2.238 0.785 0.753 0.968 0.698 CB 1.518 64 residues pruned to eliminate duplicates Z: 37 36.684 2.155 0.638 0.808 0.972 0.500 CB 1.362 37 residues pruned to eliminate duplicates Z: 38 39.735 2.156 0.725 0.787 1.000 0.541 CB 1.365 38 residues pruned to eliminate duplicates Z: 67 55.488 2.206 0.784 0.746 0.924 0.606 CB 1.508 67 residues pruned to eliminate duplicates Z: 67 57.192 2.202 0.750 0.752 1.000 0.682 CB 1.460 67 residues pruned to eliminate duplicates Z: 68 52.019 2.197 0.686 0.715 0.940 0.642 CB 1.502 68 residues pruned to eliminate duplicates Z: 67 56.899 2.201 0.781 0.752 0.970 0.727 CB 1.472 67 residues pruned to eliminate duplicates Z: 35 42.264 2.202 0.757 0.855 0.971 0.559 CB 1.424 35 residues pruned to eliminate duplicates Z: 66 54.777 2.212 0.645 0.763 0.969 0.708 CB 1.526 66 residues pruned to eliminate duplicates Z: 50 55.028 2.269 0.984 0.710 0.959 0.633 CB 1.505 50 residues pruned to eliminate duplicates Z: 70 51.713 2.138 0.694 0.710 0.986 0.652 CB 1.441 70 residues pruned to eliminate duplicates Z: 68 55.133 2.196 0.743 0.740 0.955 0.627 CB 1.486 68 residues pruned to eliminate duplicates Z: 66 47.976 2.183 0.649 0.669 0.954 0.631 CB 1.482 66 residues pruned to eliminate duplicates Z: 68 52.809 2.186 0.654 0.736 0.955 0.731 CB 1.511 68 residues pruned to eliminate duplicates Z: 67 56.740 2.213 0.721 0.743 0.985 0.697 CB 1.497 67 residues pruned to eliminate duplicates Z: 66 50.184 2.178 0.650 0.726 0.938 0.631 CB 1.506 66 residues pruned to eliminate duplicates Z: 68 53.365 2.187 0.677 0.732 0.970 0.701 CB 1.487 68 residues pruned to eliminate duplicates Z: 67 50.250 2.171 0.705 0.725 0.939 0.530 CB 1.452 67 residues pruned to eliminate duplicates Z: 67 53.338 2.200 0.678 0.738 0.939 0.712 CB 1.529 67 residues pruned to eliminate duplicates Z: 67 57.075 2.190 0.806 0.752 0.985 0.621 CB 1.440 67 residues pruned to eliminate duplicates Z: 67 54.831 2.204 0.672 0.743 0.970 0.682 CB 1.519 67 residues pruned to eliminate duplicates Z: 33 34.197 2.211 0.588 0.607 0.938 0.719 CB 1.659 33 residues pruned to eliminate duplicates Z: 68 55.033 2.179 0.740 0.748 0.970 0.567 CB 1.464 68 residues pruned to eliminate duplicates Z: 67 55.100 2.201 0.733 0.744 0.955 0.652 CB 1.498 67 residues pruned to eliminate duplicates Z: 67 56.311 2.213 0.758 0.746 0.955 0.712 CB 1.498 67 residues pruned to eliminate duplicates Z: 68 59.082 2.206 0.798 0.751 0.970 0.657 CB 1.499 68 residues pruned to eliminate duplicates Z: 32 35.956 2.187 0.610 0.645 0.968 0.645 CB 1.656 32 residues pruned to eliminate duplicates Z: 67 56.669 2.200 0.700 0.756 0.970 0.606 CB 1.532 67 residues pruned to eliminate duplicates Z: 67 55.765 2.184 0.736 0.744 0.985 0.652 CB 1.477 67 residues pruned to eliminate duplicates Z: 67 59.548 2.195 0.807 0.756 0.985 0.652 CB 1.494 67 residues pruned to eliminate duplicates Z: 67 59.790 2.199 0.719 0.780 1.000 0.636 CB 1.521 67 residues pruned to eliminate duplicates Z: 68 59.227 2.193 0.758 0.753 1.000 0.642 CB 1.499 68 residues pruned to eliminate duplicates Z: 67 55.352 2.193 0.693 0.765 0.970 0.652 CB 1.496 67 residues pruned to eliminate duplicates Z: 66 60.358 2.210 0.774 0.777 0.985 0.708 CB 1.518 66 residues pruned to eliminate duplicates Z: 64 48.797 2.140 0.647 0.692 0.921 0.619 CB 1.590 64 residues pruned to eliminate duplicates Z: 67 55.959 2.183 0.777 0.749 0.970 0.576 CB 1.466 67 residues pruned to eliminate duplicates Z: 67 59.725 2.207 0.738 0.764 1.000 0.697 CB 1.517 67 residues pruned to eliminate duplicates Z: 68 57.497 2.187 0.717 0.753 1.000 0.597 CB 1.494 68 residues pruned to eliminate duplicates Z: 67 63.733 2.206 0.858 0.769 1.000 0.606 CB 1.508 67 residues pruned to eliminate duplicates Z: 12 22.878 1.950 0.783 0.901 0.909 0.636 CB 1.558 12 residues pruned to eliminate duplicates Z: 11 22.051 1.991 0.722 0.888 0.900 0.500 CB 1.628 11 residues pruned to eliminate duplicates Z: 67 58.531 2.211 0.736 0.766 0.985 0.652 CB 1.507 67 residues pruned to eliminate duplicates Z: 33 38.775 2.184 0.773 0.668 0.969 0.688 CB 1.564 33 residues pruned to eliminate duplicates Z: 68 56.302 2.173 0.808 0.737 0.955 0.612 CB 1.482 68 residues pruned to eliminate duplicates Z: 55 54.271 2.257 0.769 0.744 0.944 0.611 CB 1.574 55 residues pruned to eliminate duplicates Z: 52 24.800 1.932 0.339 0.550 0.941 0.510 CB 1.358 48 residues pruned to eliminate duplicates Z: 8 10.043 1.867 0.273 0.847 0.857 0.857 CA 1.384 8 residues pruned to eliminate duplicates Z: 30 17.775 1.970 0.320 0.587 0.828 0.448 CB 1.411 32 residues pruned to eliminate duplicates Z: 8 6.977 1.871 0.191 0.797 0.714 0.714 CA 1.277 8 residues pruned to eliminate duplicates Z: 17 13.078 2.103 0.114 0.572 0.938 0.500 CB 1.389 17 residues pruned to eliminate duplicates Z: 26 18.156 2.046 0.268 0.667 0.880 0.600 CB 1.363 26 residues pruned to eliminate duplicates Z: 26 14.422 2.035 0.191 0.665 0.760 0.520 CB 1.344 26 residues pruned to eliminate duplicates Z: 28 19.121 2.006 0.329 0.648 0.889 0.667 CB 1.352 28 residues pruned to eliminate duplicates Z: 30 18.242 1.988 0.214 0.627 0.862 0.586 CB 1.444 30 residues pruned to eliminate duplicates Z: 18 15.864 2.042 0.380 0.621 0.824 0.588 CB 1.479 18 residues pruned to eliminate duplicates Z: 29 15.613 1.987 0.166 0.640 0.821 0.500 CB 1.360 29 residues pruned to eliminate duplicates Z: 30 15.341 1.959 0.299 0.582 0.793 0.586 CB 1.306 30 residues pruned to eliminate duplicates Z: 28 17.794 1.970 0.364 0.600 0.852 0.444 CB 1.360 28 residues pruned to eliminate duplicates Z: 27 20.339 2.008 0.287 0.603 1.000 0.615 CB 1.399 27 residues pruned to eliminate duplicates Z: 27 18.466 2.026 0.307 0.616 0.885 0.538 CB 1.385 27 residues pruned to eliminate duplicates Z: 14 10.903 1.823 0.217 0.603 0.923 0.692 CA 1.338 14 residues pruned to eliminate duplicates Z: 27 19.578 2.022 0.355 0.661 0.885 0.577 CB 1.364 27 residues pruned to eliminate duplicates Z: 25 16.158 2.010 0.297 0.616 0.833 0.500 CB 1.361 25 residues pruned to eliminate duplicates Z: 53 21.661 1.848 0.352 0.519 0.904 0.423 CB 1.305 53 residues pruned to eliminate duplicates Z: 30 16.283 1.899 0.363 0.547 0.862 0.345 CB 1.294 30 residues pruned to eliminate duplicates Z: 12 11.458 2.022 -0.084 0.745 1.000 0.909 CB 1.498 12 residues pruned to eliminate duplicates Z: 30 16.086 1.943 0.345 0.564 0.793 0.517 CB 1.355 30 residues pruned to eliminate duplicates Z: 47 23.026 1.990 0.347 0.563 0.848 0.457 CB 1.405 47 residues pruned to eliminate duplicates Z: 26 16.526 2.044 0.205 0.645 0.840 0.640 CB 1.395 26 residues pruned to eliminate duplicates Z: 62 28.854 1.969 0.402 0.605 0.951 0.623 CB 1.273 63 residues pruned to eliminate duplicates Z: 44 24.415 1.987 0.359 0.601 0.907 0.465 CB 1.382 44 residues pruned to eliminate duplicates Z: 15 19.195 2.123 0.336 0.667 1.000 0.500 CA 1.549 15 residues pruned to eliminate duplicates Z: 43 25.569 2.047 0.308 0.595 0.929 0.476 CB 1.449 43 residues pruned to eliminate duplicates Z: 13 19.033 2.134 0.440 0.707 0.917 0.500 CA 1.617 13 residues pruned to eliminate duplicates Z: 19 16.431 1.892 0.477 0.586 0.889 0.500 CB 1.436 19 residues pruned to eliminate duplicates Z: 13 18.853 2.169 0.415 0.746 0.917 0.667 CB 1.553 13 residues pruned to eliminate duplicates Z: 16 17.899 2.022 0.314 0.665 0.933 0.467 CB 1.600 16 residues pruned to eliminate duplicates Z: 14 21.266 2.205 0.402 0.747 0.923 0.769 CA 1.656 14 residues pruned to eliminate duplicates Z: 16 19.475 2.045 0.281 0.736 1.000 0.667 CA 1.553 16 residues pruned to eliminate duplicates Z: 14 16.789 2.112 0.437 0.725 0.846 0.385 CB 1.480 14 residues pruned to eliminate duplicates Z: 13 21.802 2.169 0.436 0.761 1.000 0.667 CB 1.603 13 residues pruned to eliminate duplicates Z: 12 22.997 2.210 0.476 0.833 1.000 0.636 CB 1.595 12 residues pruned to eliminate duplicates Z: 34 27.380 1.981 0.606 0.652 1.000 0.727 CB 1.301 33 residues pruned to eliminate duplicates Z: 14 18.269 2.103 0.214 0.797 1.000 0.769 CB 1.530 14 residues pruned to eliminate duplicates Z: 34 25.116 2.072 0.343 0.635 0.970 0.667 CB 1.427 34 residues pruned to eliminate duplicates Z: 13 8.060 1.913 0.185 0.523 0.750 0.250 CB 1.338 13 residues pruned to eliminate duplicates Z: 14 11.121 1.873 0.309 0.426 0.846 0.538 CA 1.605 14 residues pruned to eliminate duplicates Z: 12 8.498 1.989 0.203 0.510 0.818 0.455 CB 1.297 12 residues pruned to eliminate duplicates Z: 10 12.510 2.164 0.301 0.570 0.889 0.444 CB 1.558 10 residues pruned to eliminate duplicates Z: 21 15.363 2.052 0.124 0.676 1.000 0.550 CB 1.266 21 residues pruned to eliminate duplicates Z: 36 24.411 2.080 0.333 0.624 0.971 0.543 CB 1.363 36 residues pruned to eliminate duplicates Z: 41 23.415 2.081 0.331 0.585 0.900 0.550 CB 1.370 41 residues pruned to eliminate duplicates Z: 109 75.543 2.395 0.603 0.643 0.935 0.574 CB 1.771 109 residues pruned to eliminate duplicates Z: 37 21.845 2.084 0.205 0.634 0.972 0.667 CB 1.315 37 residues pruned to eliminate duplicates Z: 31 22.673 2.155 0.218 0.688 0.900 0.667 CB 1.475 31 residues pruned to eliminate duplicates Z: 108 78.291 2.394 0.671 0.654 0.935 0.636 CB 1.754 108 residues pruned to eliminate duplicates Z: 39 23.891 2.050 0.441 0.602 0.895 0.447 CB 1.330 39 residues pruned to eliminate duplicates Z: 37 22.018 2.065 0.315 0.609 0.861 0.500 CB 1.416 37 residues pruned to eliminate duplicates Z: 40 21.345 2.042 0.400 0.576 0.846 0.590 CB 1.313 40 residues pruned to eliminate duplicates Z: 36 23.811 2.077 0.352 0.619 0.943 0.629 CB 1.358 36 residues pruned to eliminate duplicates Z: 32 26.347 2.123 0.402 0.673 0.935 0.645 CB 1.449 32 residues pruned to eliminate duplicates Z: 35 23.458 2.159 0.239 0.637 0.912 0.647 CB 1.451 35 residues pruned to eliminate duplicates Z: 34 26.413 2.186 0.275 0.664 0.970 0.636 CB 1.462 34 residues pruned to eliminate duplicates Z: 107 77.383 2.381 0.713 0.643 0.925 0.594 CB 1.744 107 residues pruned to eliminate duplicates Z: 18 16.656 2.155 0.432 0.557 0.941 0.588 CB 1.315 18 residues pruned to eliminate duplicates Z: 107 77.211 2.369 0.749 0.630 0.925 0.585 CB 1.732 107 residues pruned to eliminate duplicates Z: 36 25.874 2.135 0.436 0.626 0.943 0.543 CB 1.344 36 residues pruned to eliminate duplicates Z: 40 24.139 2.115 0.269 0.611 0.923 0.538 CB 1.405 40 residues pruned to eliminate duplicates Z: 41 24.768 2.096 0.318 0.560 0.975 0.600 CB 1.371 41 residues pruned to eliminate duplicates Z: 35 23.624 2.131 0.236 0.661 0.912 0.647 CB 1.454 35 residues pruned to eliminate duplicates Z: 76 50.346 2.313 0.579 0.562 0.920 0.547 CB 1.629 76 residues pruned to eliminate duplicates Z: 110 73.338 2.372 0.700 0.630 0.862 0.578 CB 1.788 110 residues pruned to eliminate duplicates Z: 101 76.790 2.353 0.791 0.630 0.920 0.530 CB 1.752 101 residues pruned to eliminate duplicates Z: 45 22.196 2.108 0.301 0.510 0.841 0.523 CB 1.437 45 residues pruned to eliminate duplicates Z: 110 72.197 2.353 0.673 0.618 0.908 0.569 CB 1.729 110 residues pruned to eliminate duplicates Z: 40 24.440 2.130 0.339 0.564 0.872 0.564 CB 1.480 40 residues pruned to eliminate duplicates Z: 103 76.442 2.420 0.695 0.654 0.882 0.608 CB 1.811 103 residues pruned to eliminate duplicates Z: 110 69.638 2.360 0.671 0.634 0.853 0.578 CB 1.748 110 residues pruned to eliminate duplicates Z: 108 75.916 2.389 0.664 0.637 0.907 0.607 CB 1.790 108 residues pruned to eliminate duplicates Z: 109 76.313 2.398 0.641 0.649 0.917 0.630 CB 1.772 109 residues pruned to eliminate duplicates Z: 95 77.546 2.406 0.701 0.657 0.936 0.638 CB 1.805 95 residues pruned to eliminate duplicates Z: 73 79.248 2.488 0.828 0.649 0.917 0.681 CB 1.950 73 residues pruned to eliminate duplicates Z: 97 74.999 2.380 0.751 0.629 0.906 0.594 CB 1.795 97 residues pruned to eliminate duplicates Z: 73 75.039 2.485 0.824 0.633 0.889 0.556 CB 1.937 73 residues pruned to eliminate duplicates Z: 60 79.737 2.542 0.910 0.688 0.915 0.695 CA 1.967 60 residues pruned to eliminate duplicates Z: 97 77.679 2.393 0.758 0.649 0.927 0.615 CB 1.769 97 residues pruned to eliminate duplicates Z: 62 80.907 2.528 0.897 0.644 0.951 0.590 CB 1.986 62 residues pruned to eliminate duplicates Z: 104 78.642 2.404 0.758 0.644 0.903 0.602 CB 1.775 104 residues pruned to eliminate duplicates Z: 108 77.437 2.389 0.734 0.638 0.888 0.589 CB 1.789 108 residues pruned to eliminate duplicates Z: 59 81.082 2.541 0.917 0.665 0.948 0.655 CA 1.978 59 residues pruned to eliminate duplicates Z: 107 69.008 2.342 0.704 0.606 0.877 0.623 CB 1.731 107 residues pruned to eliminate duplicates Z: 100 77.114 2.382 0.757 0.629 0.889 0.566 CB 1.846 100 residues pruned to eliminate duplicates Z: 108 81.658 2.402 0.695 0.666 0.925 0.570 CB 1.797 108 residues pruned to eliminate duplicates Z: 107 74.279 2.370 0.722 0.638 0.887 0.604 CB 1.752 107 residues pruned to eliminate duplicates Z: 112 74.943 2.357 0.711 0.627 0.883 0.631 CB 1.774 112 residues pruned to eliminate duplicates Z: 96 73.764 2.411 0.656 0.644 0.916 0.684 CB 1.810 96 residues pruned to eliminate duplicates Z: 109 80.217 2.417 0.654 0.664 0.917 0.565 CB 1.809 109 residues pruned to eliminate duplicates Z: 72 52.446 2.328 0.553 0.604 0.901 0.535 CB 1.729 72 residues pruned to eliminate duplicates Z: 107 78.876 2.394 0.709 0.660 0.887 0.604 CB 1.821 107 residues pruned to eliminate duplicates Z: 35 48.204 2.486 0.803 0.643 0.882 0.588 CA 1.828 35 residues pruned to eliminate duplicates Z: 104 73.853 2.365 0.703 0.632 0.883 0.563 CB 1.806 104 residues pruned to eliminate duplicates Z: 61 88.050 2.537 0.981 0.690 0.967 0.617 CB 1.966 61 residues pruned to eliminate duplicates Z: 108 83.403 2.433 0.752 0.650 0.907 0.617 CB 1.814 108 residues pruned to eliminate duplicates Z: 76 81.833 2.522 0.785 0.680 0.920 0.600 CB 1.933 76 residues pruned to eliminate duplicates Z: 96 80.113 2.402 0.720 0.663 0.937 0.621 CB 1.826 96 residues pruned to eliminate duplicates Z: 108 73.543 2.375 0.648 0.646 0.888 0.551 CB 1.785 108 residues pruned to eliminate duplicates Z: 105 77.220 2.406 0.708 0.642 0.894 0.596 CB 1.804 105 residues pruned to eliminate duplicates Z: 43 70.821 2.538 0.957 0.654 0.952 0.571 CB 2.002 43 residues pruned to eliminate duplicates Z: 110 78.241 2.384 0.682 0.672 0.899 0.624 CB 1.774 110 residues pruned to eliminate duplicates Z: 97 73.567 2.399 0.688 0.630 0.896 0.573 CB 1.832 97 residues pruned to eliminate duplicates Z: 74 78.567 2.529 0.871 0.647 0.863 0.616 CB 1.964 74 residues pruned to eliminate duplicates Z: 97 67.093 2.350 0.664 0.628 0.885 0.542 CB 1.753 97 residues pruned to eliminate duplicates Z: 73 83.708 2.548 0.821 0.681 0.917 0.583 CB 1.963 73 residues pruned to eliminate duplicates Z: 73 82.020 2.502 0.893 0.651 0.903 0.583 CB 1.963 73 residues pruned to eliminate duplicates Z: 78 69.985 2.291 0.792 0.747 0.948 0.610 CB 1.643 78 residues pruned to eliminate duplicates Z: 63 78.027 2.482 0.991 0.663 0.903 0.581 CA 1.910 63 residues pruned to eliminate duplicates Z: 36 53.550 2.402 1.002 0.685 0.857 0.486 CB 1.852 36 residues pruned to eliminate duplicates Z: 89 75.538 2.462 0.693 0.642 0.898 0.545 CB 1.885 89 residues pruned to eliminate duplicates Z: 54 50.597 2.258 0.916 0.634 0.830 0.396 CB 1.706 54 residues pruned to eliminate duplicates Z: 48 75.329 2.518 0.904 0.747 0.915 0.574 CB 2.008 48 residues pruned to eliminate duplicates Z: 108 83.814 2.402 0.750 0.665 0.916 0.570 CB 1.807 109 residues pruned to eliminate duplicates Z: 21 68.732 2.509 1.307 0.912 1.000 0.650 CA 1.881 21 residues pruned to eliminate duplicates Z: 110 83.191 2.397 0.694 0.662 0.945 0.606 CB 1.787 110 residues pruned to eliminate duplicates Z: 106 86.658 2.432 0.743 0.664 0.943 0.581 CB 1.818 106 residues pruned to eliminate duplicates Z: 21 69.752 2.488 1.323 0.925 1.000 0.600 CA 1.894 21 residues pruned to eliminate duplicates Z: 97 77.199 2.377 0.793 0.623 0.927 0.448 CB 1.775 97 residues pruned to eliminate duplicates Z: 106 82.532 2.420 0.804 0.654 0.895 0.552 CB 1.786 106 residues pruned to eliminate duplicates Z: 20 72.076 2.592 1.291 0.915 1.000 0.316 CB 1.968 20 residues pruned to eliminate duplicates Z: 110 81.024 2.393 0.718 0.657 0.917 0.596 CB 1.778 110 residues pruned to eliminate duplicates Z: 100 68.847 2.331 0.668 0.633 0.899 0.505 CB 1.747 100 residues pruned to eliminate duplicates Z: 81 75.045 2.403 0.885 0.634 0.875 0.538 CA 1.867 81 residues pruned to eliminate duplicates Z: 99 67.770 2.368 0.682 0.612 0.878 0.551 CB 1.761 99 residues pruned to eliminate duplicates Z: 108 76.665 2.357 0.716 0.626 0.916 0.561 CB 1.777 108 residues pruned to eliminate duplicates Z: 37 67.449 2.510 1.035 0.709 0.944 0.556 CB 1.927 37 residues pruned to eliminate duplicates Z: 111 79.317 2.378 0.711 0.639 0.918 0.536 CB 1.777 111 residues pruned to eliminate duplicates Z: 77 72.900 2.481 0.724 0.676 0.895 0.500 CB 1.859 77 residues pruned to eliminate duplicates Z: 34 51.691 2.382 1.007 0.671 0.909 0.545 CB 1.767 34 residues pruned to eliminate duplicates Z: 75 74.742 2.463 0.769 0.678 0.905 0.486 CB 1.870 75 residues pruned to eliminate duplicates Z: 109 71.233 2.339 0.758 0.628 0.852 0.491 CB 1.734 109 residues pruned to eliminate duplicates Z: 110 63.555 2.283 0.674 0.594 0.872 0.431 CB 1.670 110 residues pruned to eliminate duplicates Z: 35 57.928 2.459 1.106 0.674 0.882 0.559 CB 1.852 11 residues pruned to eliminate duplicates Z: 15 23.781 2.310 0.361 0.802 0.929 0.571 CB 1.673 15 residues pruned to eliminate duplicates Z: 39 54.395 2.365 0.985 0.681 0.895 0.474 CB 1.780 24 residues pruned to eliminate duplicates Z: 14 21.782 2.412 0.299 0.870 0.846 0.692 CB 1.663 14 residues pruned to eliminate duplicates Z: 13 21.487 2.480 0.357 0.815 0.750 0.500 CB 1.869 13 residues pruned to eliminate duplicates Z: 37 46.737 2.293 1.017 0.608 0.833 0.472 CA 1.825 9 residues pruned to eliminate duplicates Z: 14 27.002 2.401 0.350 0.846 0.923 0.615 CA 1.860 14 residues pruned to eliminate duplicates Z: 106 75.076 2.362 0.721 0.633 0.905 0.571 CB 1.758 106 residues pruned to eliminate duplicates Z: 36 57.972 2.390 0.985 0.732 0.943 0.571 CB 1.778 36 residues pruned to eliminate duplicates Z: 36 51.107 2.331 0.992 0.643 0.914 0.457 CB 1.781 36 residues pruned to eliminate duplicates 344 residues left after pruning, divided into chains as follows: A: 15 B: 48 C: 68 D: 73 E: 109 F: 31 CC for partial structure against native data = 39.54 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.512, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.576, Connect. = 0.780 for dens.mod. cycle 2 = 0.300, Contrast = 0.695, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.704, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.715, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 0.721, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.727, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.730, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.733, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.735, Connect. = 0.812 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.03 - 3.19 - 2.78 - 2.52 - 2.34 - 2.20 - 2.09 - 2.00 - 1.92 - 1.85 0.708 0.717 0.684 0.700 0.691 0.645 0.595 0.555 0.554 0.520 0.858 0.885 0.838 0.842 0.832 0.776 0.721 0.671 0.668 0.625 N 3750 3763 3788 3831 3744 3809 3788 3690 3906 3390 Estimated mean FOM = 0.638 Pseudo-free CC = 66.24 % Best trace (cycle 4 with CC 39.54%) was saved as ./2ogi-1.9-parrot-mrncs/2ogi-1.9-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 2.4 - FFTs and peak-searches 12.8 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 764.7 - Tripeptide search 6120.2 - Chain tracing 0.0 - NCS analysis 14.7 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 22:52:36 Total time: 6915.61 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 115.84 Used memory is bytes: 19947888