null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:56:50 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: ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.ins Phases from ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phi Native data from ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.hkl Listing output to ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.lst Phases output to ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phs Poly-Ala trace output to ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 36467 Reflections read from file ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phi 36467 Reflections read from file ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.hkl 36467 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.000036h^2 +0.002653k^2 -0.000269l^2 +0.000000kl +0.000164hl +0.000000hk 564 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 64 x 82 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|> = 0.728 = 0.215, Contrast = 0.111, Connect. = 0.561 for dens.mod. cycle 1 = 0.222, Contrast = 0.259, Connect. = 0.606 for dens.mod. cycle 2 = 0.235, Contrast = 0.372, Connect. = 0.676 for dens.mod. cycle 3 = 0.249, Contrast = 0.433, Connect. = 0.702 for dens.mod. cycle 4 = 0.262, Contrast = 0.465, Connect. = 0.712 for dens.mod. cycle 5 = 0.274, Contrast = 0.486, Connect. = 0.716 for dens.mod. cycle 6 = 0.285, Contrast = 0.499, Connect. = 0.717 for dens.mod. cycle 7 = 0.295, Contrast = 0.514, Connect. = 0.721 for dens.mod. cycle 8 = 0.300, Contrast = 0.521, Connect. = 0.722 for dens.mod. cycle 9 = 0.300, Contrast = 0.532, Connect. = 0.726 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3194 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 611 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 21.329 1.830 0.901 0.798 0.867 0.533 CA 1.407 B: 18 12.360 1.536 0.820 0.626 0.882 0.353 CB 1.079 C: 9 20.233 2.041 0.872 0.854 0.875 0.750 CA 1.580 D: 15 12.229 1.773 0.447 0.875 0.857 0.643 CB 1.082 E: 10 23.195 1.961 1.012 0.912 1.000 1.000 CA 1.388 9 residues pruned to eliminate duplicates F: 9 13.665 1.912 0.877 0.874 1.000 0.875 CA 0.980 G: 6 11.438 1.607 1.040 0.859 1.000 0.800 CA 1.148 6 residues pruned to eliminate duplicates H: 33 19.965 1.838 0.783 0.359 0.906 0.562 CB 1.384 I: 12 23.863 1.853 1.095 0.881 1.000 0.818 CB 1.342 11 residues pruned to eliminate duplicates J: 10 18.761 1.869 0.613 0.870 1.000 1.000 CB 1.514 10 residues pruned to eliminate duplicates K: 51 34.800 1.883 0.761 0.670 0.900 0.540 CB 1.410 15 residues pruned to eliminate duplicates L: 14 15.899 1.894 0.851 0.853 1.000 0.692 CB 0.929 M: 43 25.830 1.831 0.815 0.641 0.905 0.619 CB 1.161 30 residues pruned to eliminate duplicates N: 16 21.462 1.807 0.849 0.837 1.000 0.533 CA 1.240 16 residues pruned to eliminate duplicates O: 18 19.273 1.740 0.528 0.871 0.941 0.588 CA 1.363 18 residues pruned to eliminate duplicates P: 11 10.347 1.841 0.642 0.833 0.900 0.800 CB 0.902 Q: 11 14.417 2.062 0.651 0.902 1.000 0.800 CB 0.955 15 residues pruned to eliminate duplicates R: 6 11.674 1.956 0.946 0.878 1.000 0.800 CA 0.996 6 residues pruned to eliminate duplicates S: 10 17.019 1.870 0.549 0.909 1.000 0.667 CB 1.390 10 residues pruned to eliminate duplicates T: 10 10.890 1.766 0.728 0.779 0.667 0.556 CB 1.395 10 residues pruned to eliminate duplicates U: 11 8.638 1.793 0.450 0.915 1.000 1.000 CB 0.743 11 residues pruned to eliminate duplicates V: 9 6.495 1.692 0.817 0.319 0.750 0.500 CA 1.216 W: 11 15.274 1.732 0.751 0.844 0.900 0.800 CB 1.317 11 residues pruned to eliminate duplicates X: 18 18.701 1.864 1.107 0.714 0.941 0.588 CB 1.011 18 residues pruned to eliminate duplicates Y: 18 17.996 1.750 0.456 0.839 1.000 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 9 10.507 1.813 0.419 0.590 1.000 0.500 CB 1.325 Z: 7 4.889 1.823 0.542 0.486 0.500 0.500 CB 1.441 Z: 13 18.267 2.021 0.897 0.927 1.000 0.833 CB 0.964 12 residues pruned to eliminate duplicates Z: 25 16.826 1.840 0.700 0.386 0.917 0.458 CA 1.352 25 residues pruned to eliminate duplicates Z: 9 8.410 1.671 0.157 0.905 1.000 1.000 CB 1.095 Z: 10 10.002 1.861 0.640 0.820 0.889 0.556 CB 0.931 10 residues pruned to eliminate duplicates Z: 15 15.375 1.729 0.875 0.887 0.929 0.714 CA 0.984 15 residues pruned to eliminate duplicates Z: 23 13.921 1.746 0.754 0.397 0.909 0.409 CB 1.189 23 residues pruned to eliminate duplicates Z: 10 13.284 1.627 0.828 0.891 1.000 1.000 CA 1.070 10 residues pruned to eliminate duplicates Z: 15 19.066 1.749 0.984 0.902 1.000 0.857 CA 1.048 15 residues pruned to eliminate duplicates Z: 13 10.944 1.708 0.569 0.459 0.917 0.583 CB 1.342 9 residues pruned to eliminate duplicates Z: 11 10.868 1.653 0.794 0.851 1.000 0.800 CB 0.858 Z: 11 14.886 1.804 1.037 0.895 1.000 0.600 CA 0.918 11 residues pruned to eliminate duplicates Z: 6 10.954 2.027 1.050 0.638 0.800 0.600 CB 1.294 Z: 14 20.898 1.847 0.774 0.908 0.923 0.692 CB 1.361 14 residues pruned to eliminate duplicates Z: 6 5.154 1.723 1.128 0.297 0.600 0.400 CA 1.314 Z: 22 15.631 1.962 0.722 0.443 0.810 0.524 CB 1.322 Z: 11 11.574 1.759 0.186 0.862 0.900 0.600 CA 1.431 Z: 6 12.777 1.994 1.033 0.668 0.800 0.600 CB 1.508 6 residues pruned to eliminate duplicates Z: 11 12.623 1.914 0.565 0.871 1.000 0.700 CB 0.972 11 residues pruned to eliminate duplicates Z: 15 14.805 1.820 0.385 0.828 0.857 0.571 CB 1.379 15 residues pruned to eliminate duplicates Z: 13 15.635 1.974 0.656 0.874 0.917 0.833 CB 1.097 13 residues pruned to eliminate duplicates Z: 17 19.618 1.762 0.590 0.859 1.000 0.688 CA 1.288 17 residues pruned to eliminate duplicates Z: 17 16.022 1.740 0.396 0.814 0.938 0.750 CB 1.338 17 residues pruned to eliminate duplicates Z: 11 6.705 1.716 0.352 0.876 0.900 0.700 CB 0.738 Z: 12 15.356 1.661 0.665 0.845 0.909 0.818 O 1.369 11 residues pruned to eliminate duplicates Z: 12 8.949 1.717 0.522 0.345 0.909 0.727 CB 1.344 Z: 9 17.206 1.873 0.758 0.824 1.000 0.625 CA 1.396 9 residues pruned to eliminate duplicates Z: 17 16.251 1.733 0.683 0.819 0.938 0.688 CA 1.127 17 residues pruned to eliminate duplicates Z: 7 8.704 1.424 0.993 0.670 1.000 0.667 N 1.070 5 residues pruned to eliminate duplicates Z: 18 16.162 1.758 0.656 0.739 0.882 0.529 CB 1.232 18 residues pruned to eliminate duplicates Z: 8 7.005 1.743 0.523 0.562 0.857 0.429 CB 1.096 Z: 10 15.735 1.812 0.842 0.645 1.000 0.444 N 1.373 10 residues pruned to eliminate duplicates Z: 10 10.428 1.612 0.710 0.860 1.000 0.778 CB 0.927 10 residues pruned to eliminate duplicates Z: 12 9.884 1.826 0.436 0.826 0.909 0.727 CB 0.943 12 residues pruned to eliminate duplicates Z: 7 5.977 1.526 0.883 0.708 0.833 0.500 CA 0.844 7 residues pruned to eliminate duplicates Z: 8 7.264 1.810 0.456 0.444 1.000 0.714 CB 1.103 8 residues pruned to eliminate duplicates Z: 12 14.410 1.713 0.579 0.876 1.000 0.727 CA 1.167 11 residues pruned to eliminate duplicates Z: 30 18.361 1.859 0.709 0.330 0.897 0.448 CB 1.443 30 residues pruned to eliminate duplicates Z: 13 8.728 1.819 0.740 0.419 0.667 0.417 CA 1.299 13 residues pruned to eliminate duplicates Z: 12 11.741 1.806 0.440 0.790 0.909 0.636 CB 1.161 12 residues pruned to eliminate duplicates Z: 10 11.970 1.774 0.377 0.878 1.000 0.667 CA 1.185 10 residues pruned to eliminate duplicates Z: 10 17.036 1.872 0.648 0.857 1.000 0.667 CA 1.357 10 residues pruned to eliminate duplicates Z: 9 18.828 2.075 1.148 0.867 0.750 0.625 CB 1.457 9 residues pruned to eliminate duplicates Z: 12 11.186 1.713 0.843 0.423 0.818 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 8 2.014 1.331 0.163 0.223 0.857 0.429 C 0.794 Z: 6 4.512 1.834 -0.271 0.884 1.000 1.000 CB 1.090 6 residues pruned to eliminate duplicates Z: 8 4.705 1.615 0.208 0.234 0.857 0.429 O 1.448 8 residues pruned to eliminate duplicates Z: 9 7.159 1.809 0.325 0.768 1.000 0.625 CB 0.833 9 residues pruned to eliminate duplicates Z: 31 24.381 1.822 0.838 0.735 0.933 0.667 CB 1.153 31 residues pruned to eliminate duplicates Z: 13 16.830 1.797 1.052 0.903 1.000 0.833 CB 0.940 13 residues pruned to eliminate duplicates Z: 11 4.808 1.677 0.803 0.231 0.600 0.300 CB 1.146 Z: 15 16.955 1.902 0.720 0.478 0.929 0.500 CA 1.525 15 residues pruned to eliminate duplicates Z: 12 10.599 1.731 0.730 0.720 0.818 0.364 CB 1.069 12 residues pruned to eliminate duplicates Z: 9 9.815 1.865 0.139 0.897 0.875 0.750 CB 1.336 9 residues pruned to eliminate duplicates Z: 11 13.264 1.798 0.418 0.907 0.900 0.900 CB 1.299 11 residues pruned to eliminate duplicates Z: 8 7.452 1.668 0.141 0.901 1.000 1.000 N 1.057 Z: 9 14.823 1.784 0.549 0.916 1.000 0.750 CB 1.339 9 residues pruned to eliminate duplicates Z: 14 24.304 1.927 0.847 0.852 0.923 0.615 CA 1.518 14 residues pruned to eliminate duplicates Z: 19 10.934 1.651 0.393 0.779 0.833 0.667 CB 1.051 19 residues pruned to eliminate duplicates Z: 9 8.267 1.555 0.366 0.912 1.000 0.875 CB 0.975 7 residues pruned to eliminate duplicates Z: 18 4.437 1.665 0.379 0.305 0.647 0.412 CB 0.900 17 residues pruned to eliminate duplicates Z: 9 4.060 1.552 0.033 0.404 1.000 0.375 CB 0.991 Z: 18 16.233 1.688 0.771 0.781 0.882 0.647 CB 1.165 22 residues pruned to eliminate duplicates Z: 8 10.036 1.804 0.306 0.768 1.000 0.571 CB 1.270 9 residues pruned to eliminate duplicates Z: 11 6.473 1.539 0.200 0.832 1.000 1.000 CB 0.832 11 residues pruned to eliminate duplicates Z: 13 11.986 1.826 0.836 0.855 1.000 0.833 CB 0.762 13 residues pruned to eliminate duplicates Z: 10 8.507 1.715 0.123 0.850 1.000 0.889 CB 1.091 10 residues pruned to eliminate duplicates Z: 13 11.427 1.719 0.543 0.852 0.917 0.917 CB 1.003 13 residues pruned to eliminate duplicates Z: 7 5.106 1.711 0.381 0.738 0.667 0.333 CB 1.069 7 residues pruned to eliminate duplicates Z: 17 18.458 1.876 0.734 0.571 1.000 0.562 CA 1.324 21 residues pruned to eliminate duplicates Z: 8 2.546 1.626 0.159 0.416 0.857 0.714 CB 0.651 8 residues pruned to eliminate duplicates Z: 13 8.050 1.515 0.105 0.845 0.917 0.750 CB 1.127 13 residues pruned to eliminate duplicates Z: 10 5.383 1.557 0.747 0.340 0.778 0.444 CA 1.010 10 residues pruned to eliminate duplicates Z: 10 12.775 1.774 0.523 0.771 1.000 0.778 CA 1.240 10 residues pruned to eliminate duplicates Z: 7 2.300 1.245 0.307 0.310 0.833 0.500 N 0.855 Z: 11 10.467 1.505 0.692 0.791 0.900 0.700 CB 1.118 11 residues pruned to eliminate duplicates Z: 7 6.877 1.862 0.574 0.563 0.667 0.500 CA 1.352 7 residues pruned to eliminate duplicates Z: 12 13.205 1.716 0.617 0.792 0.909 0.636 CA 1.222 Z: 17 17.665 1.794 0.514 0.861 0.875 0.750 CA 1.365 17 residues pruned to eliminate duplicates Z: 9 13.919 1.758 0.471 0.929 1.000 1.000 CB 1.331 9 residues pruned to eliminate duplicates Z: 6 7.654 1.696 0.601 0.477 1.000 0.600 O 1.290 6 residues pruned to eliminate duplicates Z: 12 11.283 1.619 0.481 0.884 1.000 0.727 CB 1.025 Z: 9 7.477 1.802 0.303 0.759 0.875 0.625 CB 1.022 9 residues pruned to eliminate duplicates Z: 8 3.685 1.767 0.143 0.881 1.000 0.857 CB 0.499 Z: 10 8.823 1.685 0.389 0.882 0.889 0.889 CB 1.023 10 residues pruned to eliminate duplicates Z: 59 29.305 1.838 0.685 0.587 0.879 0.517 CB 1.300 46 residues pruned to eliminate duplicates Z: 10 19.047 2.015 0.527 0.882 1.000 0.889 CA 1.494 10 residues pruned to eliminate duplicates Z: 6 4.517 1.629 0.684 0.477 0.800 0.400 N 0.942 Z: 14 12.766 1.819 0.597 0.441 0.923 0.692 CA 1.403 13 residues pruned to eliminate duplicates Z: 33 14.228 1.709 0.756 0.375 0.812 0.531 CB 1.178 34 residues pruned to eliminate duplicates Z: 9 7.703 1.619 0.125 0.910 1.000 0.875 CB 1.060 9 residues pruned to eliminate duplicates Z: 17 12.143 1.851 0.435 0.414 0.938 0.500 CB 1.333 17 residues pruned to eliminate duplicates Z: 33 18.759 1.847 0.677 0.441 0.875 0.500 CB 1.301 34 residues pruned to eliminate duplicates Z: 9 10.570 1.843 0.951 0.909 0.875 0.625 CA 0.843 Z: 10 7.770 1.711 0.511 0.431 0.889 0.333 CA 1.211 Z: 10 7.579 1.735 0.686 0.482 0.778 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 10 9.457 1.918 0.748 0.679 0.667 0.444 CB 1.197 10 residues pruned to eliminate duplicates Z: 13 12.644 1.679 0.571 0.831 1.000 0.667 CA 1.040 12 residues pruned to eliminate duplicates Z: 8 2.239 1.586 0.153 0.211 0.714 0.286 CB 0.912 8 residues pruned to eliminate duplicates Z: 7 2.551 1.362 0.702 0.249 0.667 0.500 C 0.899 Z: 15 16.774 1.803 0.645 0.757 0.857 0.643 CA 1.404 15 residues pruned to eliminate duplicates Z: 9 4.876 1.508 0.005 0.779 1.000 0.750 CB 0.889 9 residues pruned to eliminate duplicates Z: 10 9.475 1.820 0.669 0.393 0.778 0.333 CA 1.498 10 residues pruned to eliminate duplicates Z: 13 14.711 1.814 0.749 0.519 1.000 0.667 CB 1.314 13 residues pruned to eliminate duplicates Z: 12 15.184 1.996 0.870 0.866 1.000 0.636 CB 0.897 12 residues pruned to eliminate duplicates Z: 8 6.963 1.799 0.215 0.490 0.857 0.429 N 1.419 8 residues pruned to eliminate duplicates Z: 10 10.534 1.740 0.886 0.490 0.889 0.444 CA 1.216 10 residues pruned to eliminate duplicates Z: 8 5.110 1.873 0.365 0.517 0.857 0.857 CB 0.866 8 residues pruned to eliminate duplicates Z: 9 12.161 1.738 0.771 0.895 1.000 1.000 CB 1.001 8 residues pruned to eliminate duplicates Z: 13 19.276 1.974 0.877 0.924 1.000 0.917 CB 1.055 13 residues pruned to eliminate duplicates Z: 16 15.770 1.779 0.339 0.848 0.933 0.400 CA 1.359 16 residues pruned to eliminate duplicates Z: 8 6.455 1.641 0.380 0.352 1.000 0.429 N 1.264 8 residues pruned to eliminate duplicates Z: 10 13.367 1.600 0.670 0.831 1.000 1.000 CA 1.252 18 residues pruned to eliminate duplicates Z: 10 10.555 1.716 0.109 0.895 1.000 0.778 CB 1.325 10 residues pruned to eliminate duplicates Z: 15 17.995 1.862 0.840 0.733 0.857 0.571 CA 1.329 15 residues pruned to eliminate duplicates Z: 18 8.624 1.595 0.616 0.348 0.765 0.471 CA 1.250 18 residues pruned to eliminate duplicates Z: 13 11.514 1.700 0.735 0.681 0.917 0.667 CA 1.041 11 residues pruned to eliminate duplicates Z: 9 13.969 1.770 0.643 0.851 1.000 1.000 CA 1.257 10 residues pruned to eliminate duplicates Z: 15 19.289 1.820 0.664 0.912 1.000 0.571 CB 1.206 15 residues pruned to eliminate duplicates Z: 7 10.245 1.820 0.534 0.867 1.000 1.000 CB 1.096 6 residues pruned to eliminate duplicates Z: 16 19.847 1.768 0.813 0.898 0.933 0.667 CB 1.226 16 residues pruned to eliminate duplicates Z: 9 11.132 1.558 0.890 0.729 0.875 0.625 N 1.243 9 residues pruned to eliminate duplicates Z: 9 4.903 1.537 0.749 0.728 0.625 0.250 CB 0.840 9 residues pruned to eliminate duplicates Z: 7 11.955 1.840 0.707 0.816 1.000 0.667 CB 1.181 7 residues pruned to eliminate duplicates Z: 7 5.319 1.548 0.569 0.463 0.833 0.833 CA 1.114 Z: 10 4.182 1.511 0.588 0.343 0.778 0.333 CB 0.886 Z: 15 8.473 1.703 0.757 0.541 0.643 0.357 CB 1.131 15 residues pruned to eliminate duplicates Z: 13 19.890 1.855 0.820 0.812 0.917 0.750 CA 1.414 13 residues pruned to eliminate duplicates Z: 12 10.225 1.714 0.383 0.726 0.909 0.545 CA 1.167 12 residues pruned to eliminate duplicates Z: 10 7.706 1.673 0.416 0.749 1.000 0.667 CB 0.868 9 residues pruned to eliminate duplicates Z: 9 9.850 1.921 0.741 0.847 0.750 0.375 CB 1.030 9 residues pruned to eliminate duplicates Z: 13 17.410 1.861 0.596 0.879 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 6 5.780 1.542 0.678 0.450 1.000 0.600 O 1.051 Z: 6 6.532 1.737 0.216 0.853 1.000 1.000 CB 1.022 6 residues pruned to eliminate duplicates Z: 6 3.807 1.902 -0.051 0.383 0.800 0.600 CB 1.335 2 residues pruned to eliminate duplicates Z: 7 6.226 1.802 0.455 0.358 0.833 0.500 CB 1.355 7 residues pruned to eliminate duplicates Z: 49 28.830 1.800 0.650 0.704 0.896 0.500 CB 1.299 49 residues pruned to eliminate duplicates Z: 6 2.526 1.572 0.439 0.439 1.000 0.800 CB 0.532 Z: 16 12.838 1.809 0.721 0.560 0.867 0.600 CB 1.158 18 residues pruned to eliminate duplicates Z: 9 8.506 1.564 1.089 0.802 0.875 0.375 CA 0.808 9 residues pruned to eliminate duplicates Z: 10 11.773 1.687 0.858 0.895 0.889 0.556 CB 1.010 11 residues pruned to eliminate duplicates Z: 18 16.640 1.758 0.554 0.791 0.824 0.647 CB 1.390 18 residues pruned to eliminate duplicates Z: 7 5.446 1.608 0.766 0.255 0.833 0.500 CA 1.245 Z: 17 11.539 1.666 0.263 0.774 0.812 0.438 CA 1.324 17 residues pruned to eliminate duplicates Z: 9 7.397 1.733 0.579 0.445 0.750 0.625 O 1.348 9 residues pruned to eliminate duplicates Z: 12 9.327 1.718 0.609 0.866 0.909 0.727 CB 0.819 12 residues pruned to eliminate duplicates Z: 11 11.114 1.613 0.704 0.816 1.000 0.800 CA 0.971 9 residues pruned to eliminate duplicates Z: 12 10.751 1.624 0.557 0.691 0.909 0.545 N 1.184 12 residues pruned to eliminate duplicates Z: 11 7.289 1.543 0.152 0.858 1.000 0.800 CB 0.955 11 residues pruned to eliminate duplicates Z: 14 8.905 1.915 0.452 0.452 0.769 0.462 CB 1.214 14 residues pruned to eliminate duplicates Z: 12 9.295 1.500 0.236 0.860 1.000 0.727 CB 1.111 12 residues pruned to eliminate duplicates Z: 11 10.292 1.638 0.435 0.839 1.000 0.900 CB 1.034 11 residues pruned to eliminate duplicates Z: 15 18.100 1.849 0.447 0.856 0.929 0.571 CB 1.436 15 residues pruned to eliminate duplicates Z: 12 8.941 1.723 0.737 0.904 0.909 0.818 CB 0.706 12 residues pruned to eliminate duplicates Z: 13 4.866 1.532 0.802 0.414 0.833 0.500 CB 0.668 8 residues pruned to eliminate duplicates Z: 10 5.798 1.485 0.239 0.882 0.889 0.778 CB 0.855 10 residues pruned to eliminate duplicates Z: 9 13.941 1.854 0.909 0.584 1.000 0.625 CA 1.286 9 residues pruned to eliminate duplicates Z: 7 6.717 1.829 0.781 0.617 0.667 0.500 CB 1.131 7 residues pruned to eliminate duplicates Z: 12 10.049 1.631 0.565 0.855 0.818 0.455 CB 1.070 12 residues pruned to eliminate duplicates Z: 32 16.402 1.852 0.659 0.416 0.903 0.484 CB 1.159 32 residues pruned to eliminate duplicates Z: 21 15.849 1.822 0.672 0.538 0.950 0.500 CB 1.181 21 residues pruned to eliminate duplicates Z: 18 9.311 1.611 0.397 0.401 0.882 0.353 CA 1.262 18 residues pruned to eliminate duplicates Z: 10 10.433 1.789 0.761 0.536 1.000 0.444 CB 1.066 11 residues pruned to eliminate duplicates Z: 6 5.333 1.746 0.301 0.485 1.000 0.400 N 1.066 6 residues pruned to eliminate duplicates Z: 8 6.118 1.547 0.584 0.682 0.857 0.714 CB 0.931 9 residues pruned to eliminate duplicates Z: 16 19.470 1.715 0.795 0.880 0.933 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 11 11.111 1.857 0.853 0.515 0.800 0.800 CB 1.258 11 residues pruned to eliminate duplicates Z: 9 11.533 1.825 0.451 0.905 1.000 1.000 CB 1.096 9 residues pruned to eliminate duplicates Z: 6 3.155 1.799 -0.059 0.448 0.800 0.400 CB 1.100 6 residues pruned to eliminate duplicates 6 1.969 1.312 -0.062 0.617 0.800 0.800 C 0.800 ? Z: 11 15.938 1.774 0.662 0.812 1.000 0.400 CA 1.303 11 residues pruned to eliminate duplicates Z: 14 10.221 1.712 0.487 0.583 0.846 0.308 CB 1.216 14 residues pruned to eliminate duplicates Z: 13 12.864 1.631 0.533 0.726 1.000 0.417 N 1.211 11 residues pruned to eliminate duplicates Z: 38 21.449 1.920 0.762 0.424 0.784 0.405 CB 1.438 42 residues pruned to eliminate duplicates Z: 7 4.480 1.325 0.851 0.506 0.833 0.500 CB 0.890 Z: 7 10.370 1.858 0.681 0.837 1.000 1.000 CA 1.013 7 residues pruned to eliminate duplicates Z: 8 16.777 1.817 0.633 0.866 1.000 0.857 CA 1.564 7 residues pruned to eliminate duplicates Z: 12 12.610 1.758 0.566 0.781 0.909 0.727 CB 1.186 12 residues pruned to eliminate duplicates Z: 11 8.235 1.966 0.701 0.773 0.700 0.600 CB 0.874 11 residues pruned to eliminate duplicates Z: 12 11.609 1.743 0.364 0.859 0.909 0.727 CB 1.192 12 residues pruned to eliminate duplicates Z: 13 11.440 1.523 0.688 0.864 1.000 0.833 CB 0.941 12 residues pruned to eliminate duplicates Z: 23 15.343 1.900 0.691 0.370 0.818 0.545 CB 1.430 23 residues pruned to eliminate duplicates Z: 11 10.704 1.585 0.491 0.878 0.900 0.700 CB 1.154 11 residues pruned to eliminate duplicates Z: 15 8.931 1.700 0.301 0.783 0.857 0.500 CB 0.982 15 residues pruned to eliminate duplicates Z: 22 24.998 1.924 0.890 0.707 0.952 0.524 CB 1.305 22 residues pruned to eliminate duplicates Z: 13 6.825 1.560 0.506 0.628 0.833 0.583 CB 0.892 13 residues pruned to eliminate duplicates Z: 16 15.401 1.781 0.454 0.761 0.933 0.733 CB 1.304 16 residues pruned to eliminate duplicates Z: 6 4.218 1.500 0.361 0.514 0.800 0.800 CB 1.139 Z: 18 15.451 1.789 0.980 0.658 0.941 0.765 CB 0.970 18 residues pruned to eliminate duplicates Z: 6 3.420 1.455 0.701 0.366 0.800 0.600 CB 0.892 6 1.989 1.583 -0.373 0.212 1.000 0.200 CB 1.260 ? Z: 12 5.023 1.511 0.407 0.299 0.818 0.364 CB 1.090 Z: 7 3.309 1.357 0.225 0.307 1.000 0.667 C 1.007 Z: 10 7.283 1.749 0.381 0.755 0.889 0.667 CB 0.901 10 residues pruned to eliminate duplicates Z: 9 8.619 1.929 0.602 0.878 0.750 0.500 CB 0.954 9 residues pruned to eliminate duplicates Z: 7 7.217 1.591 0.432 0.838 0.833 0.500 CA 1.159 7 residues pruned to eliminate duplicates Z: 18 12.735 1.647 0.418 0.693 0.882 0.647 CA 1.257 18 residues pruned to eliminate duplicates Z: 9 8.582 1.727 0.728 0.479 0.875 0.375 CB 1.187 9 residues pruned to eliminate duplicates Z: 7 10.634 1.562 0.817 0.658 1.000 0.667 C 1.321 7 residues pruned to eliminate duplicates Z: 11 13.544 1.771 0.477 0.879 0.900 0.800 CA 1.320 11 residues pruned to eliminate duplicates 6 1.882 1.405 0.240 0.474 0.600 0.400 CB 0.827 ? Z: 9 11.879 1.557 1.145 0.857 0.875 0.625 CA 1.059 9 residues pruned to eliminate duplicates Z: 9 11.198 1.778 0.636 0.800 1.000 0.625 CA 1.047 9 residues pruned to eliminate duplicates Z: 26 27.176 1.957 0.726 0.613 0.960 0.480 CB 1.507 23 residues pruned to eliminate duplicates Z: 9 9.738 1.854 0.755 0.473 0.875 0.750 CA 1.243 9 residues pruned to eliminate duplicates Z: 9 12.112 1.670 0.877 0.588 1.000 0.750 CB 1.255 Z: 12 16.645 1.781 0.874 0.831 0.909 0.818 CA 1.243 12 residues pruned to eliminate duplicates Z: 9 8.219 1.622 0.393 0.614 0.875 0.375 CB 1.319 9 residues pruned to eliminate duplicates Z: 13 14.153 1.705 1.146 0.796 0.833 0.333 CA 1.034 13 residues pruned to eliminate duplicates Z: 7 4.036 1.642 -0.075 0.516 0.833 0.500 CB 1.282 Z: 10 5.744 1.639 0.084 0.783 1.000 0.778 CB 0.840 10 residues pruned to eliminate duplicates Z: 17 13.729 1.817 0.639 0.327 0.938 0.375 N 1.486 17 residues pruned to eliminate duplicates Z: 6 2.971 1.447 0.163 0.394 0.800 0.800 CA 1.104 Z: 11 11.616 1.626 0.362 0.912 1.000 1.000 CB 1.175 11 residues pruned to eliminate duplicates Z: 15 12.678 1.776 0.642 0.553 0.786 0.571 CB 1.405 15 residues pruned to eliminate duplicates 9 1.762 1.368 0.486 0.207 0.500 0.250 N 0.867 ? Z: 12 16.264 1.961 0.896 0.928 1.000 0.909 CB 0.924 12 residues pruned to eliminate duplicates Z: 6 6.759 1.684 0.539 0.602 0.800 0.600 CB 1.323 Z: 15 5.487 1.781 0.268 0.276 0.643 0.429 CB 1.301 15 residues pruned to eliminate duplicates Z: 14 8.674 1.721 0.434 0.597 0.923 0.769 CB 0.962 8 residues pruned to eliminate duplicates Z: 8 3.223 1.389 0.318 0.443 0.857 0.429 CB 0.823 Z: 6 10.153 1.746 1.136 0.846 0.800 0.200 CB 1.131 6 residues pruned to eliminate duplicates Z: 13 12.341 1.780 0.736 0.847 0.917 0.417 CB 0.933 11 residues pruned to eliminate duplicates Z: 36 19.305 1.891 0.544 0.437 0.829 0.486 CB 1.440 34 residues pruned to eliminate duplicates Z: 17 8.847 1.728 0.583 0.437 0.812 0.625 CB 1.062 17 residues pruned to eliminate duplicates Z: 12 5.477 1.528 0.297 0.465 0.818 0.455 CB 1.055 18 residues pruned to eliminate duplicates Z: 16 8.025 1.653 0.571 0.292 0.800 0.467 CB 1.259 15 residues pruned to eliminate duplicates Z: 10 8.846 1.632 0.575 0.870 0.778 0.444 CA 1.077 10 residues pruned to eliminate duplicates Z: 6 2.291 1.303 0.444 0.172 0.800 0.600 N 1.012 Z: 7 3.891 1.591 0.148 0.692 0.667 0.500 CA 1.094 7 residues pruned to eliminate duplicates Z: 9 32.033 2.067 1.456 0.908 1.000 0.375 N 1.584 9 residues pruned to eliminate duplicates Z: 8 7.759 1.716 0.388 0.792 0.857 0.714 CA 1.112 8 residues pruned to eliminate duplicates Z: 6 4.663 1.414 0.235 0.649 0.800 0.600 N 1.300 6 residues pruned to eliminate duplicates Z: 37 21.835 1.892 0.815 0.378 0.917 0.611 CB 1.317 41 residues pruned to eliminate duplicates Z: 14 12.761 1.775 0.599 0.848 0.923 0.769 CB 1.003 14 residues pruned to eliminate duplicates Z: 13 7.715 1.748 0.633 0.603 0.667 0.417 CA 1.061 13 residues pruned to eliminate duplicates Z: 10 6.504 1.614 0.459 0.580 0.889 0.667 CB 0.959 10 residues pruned to eliminate duplicates Z: 7 5.651 1.779 0.442 0.297 0.833 0.167 N 1.355 Z: 12 7.840 1.509 0.460 0.791 1.000 0.727 CB 0.832 12 residues pruned to eliminate duplicates Z: 19 11.029 1.910 0.716 0.406 0.778 0.500 CB 1.126 27 residues pruned to eliminate duplicates Z: 10 10.500 1.658 0.240 0.887 1.000 0.778 CA 1.228 10 residues pruned to eliminate duplicates Z: 9 4.828 1.563 0.347 0.354 0.875 0.500 CB 1.086 9 residues pruned to eliminate duplicates Z: 8 6.983 1.843 0.613 0.387 0.714 0.286 N 1.401 8 residues pruned to eliminate duplicates Z: 9 3.674 1.823 0.400 0.213 0.625 0.375 CB 1.143 9 residues pruned to eliminate duplicates 6 1.907 1.627 -0.271 0.520 0.800 0.400 CB 0.882 ? Z: 8 5.934 1.566 0.859 0.853 0.571 0.429 CA 0.996 8 residues pruned to eliminate duplicates Z: 8 5.244 1.638 -0.073 0.515 1.000 0.429 CB 1.286 Z: 10 7.199 1.662 0.584 0.543 0.667 0.556 CB 1.311 9 residues pruned to eliminate duplicates Z: 6 3.192 1.396 0.356 0.371 1.000 0.400 CB 0.866 Z: 14 11.970 1.759 0.538 0.637 0.923 0.538 CB 1.169 14 residues pruned to eliminate duplicates Z: 15 21.562 1.837 0.857 0.806 0.929 0.500 CA 1.393 15 residues pruned to eliminate duplicates Z: 8 12.013 1.809 1.123 0.849 1.000 0.571 CB 0.877 8 residues pruned to eliminate duplicates Z: 7 6.317 1.725 0.410 0.644 0.833 0.667 CB 1.112 7 residues pruned to eliminate duplicates Z: 6 2.041 1.282 0.264 0.367 0.600 0.400 O 1.083 Z: 12 8.277 1.641 0.348 0.756 0.909 0.636 CB 0.988 12 residues pruned to eliminate duplicates Z: 6 2.330 1.116 0.879 0.645 0.800 0.600 N 0.542 Z: 8 3.006 1.329 0.736 0.297 0.714 0.571 CA 0.865 Z: 11 16.231 1.671 0.579 0.862 1.000 0.700 CB 1.427 11 residues pruned to eliminate duplicates Z: 17 17.539 1.725 0.483 0.839 1.000 0.625 N 1.280 17 residues pruned to eliminate duplicates Z: 19 12.755 1.820 0.496 0.641 0.833 0.444 CB 1.161 19 residues pruned to eliminate duplicates Z: 16 14.533 1.675 0.920 0.800 0.933 0.733 CB 0.962 16 residues pruned to eliminate duplicates Z: 36 24.841 1.836 0.688 0.665 0.943 0.629 CB 1.233 31 residues pruned to eliminate duplicates Z: 9 2.615 1.490 0.212 0.274 0.750 0.500 CA 0.882 9 residues pruned to eliminate duplicates Z: 6 2.075 1.159 0.767 0.557 0.800 0.600 CB 0.536 Z: 15 19.248 1.761 0.997 0.903 1.000 0.786 CB 1.043 15 residues pruned to eliminate duplicates Z: 10 11.383 1.683 0.618 0.865 1.000 0.778 CA 1.020 9 residues pruned to eliminate duplicates Z: 7 5.106 1.402 0.637 0.430 0.833 0.333 CA 1.172 6 residues pruned to eliminate duplicates Z: 8 5.315 1.664 0.380 0.473 0.857 0.714 CA 1.049 8 residues pruned to eliminate duplicates Z: 6 2.530 1.514 0.600 0.293 0.800 0.400 CB 0.736 Z: 13 16.192 1.828 0.973 0.809 1.000 0.583 CB 0.990 12 residues pruned to eliminate duplicates Z: 8 4.218 1.345 0.369 0.708 0.714 0.429 CA 1.003 Z: 13 10.503 1.694 0.570 0.749 0.833 0.500 CA 1.095 13 residues pruned to eliminate duplicates Z: 11 11.736 1.792 0.857 0.571 0.900 0.600 CB 1.157 11 residues pruned to eliminate duplicates Z: 9 9.082 1.770 0.274 0.736 1.000 0.500 CA 1.152 9 residues pruned to eliminate duplicates Z: 6 4.577 1.646 0.200 0.449 1.000 0.600 CB 1.092 Z: 22 12.028 1.727 0.733 0.471 0.762 0.619 CA 1.185 22 residues pruned to eliminate duplicates Z: 13 10.879 1.556 0.531 0.857 0.917 0.833 CB 1.059 13 residues pruned to eliminate duplicates Z: 9 4.201 1.519 0.232 0.614 0.750 0.625 CB 0.950 9 residues pruned to eliminate duplicates Z: 11 7.359 1.706 0.585 0.508 0.700 0.500 N 1.220 11 residues pruned to eliminate duplicates Z: 12 7.525 1.572 0.333 0.368 1.000 0.364 CB 1.247 8 residues pruned to eliminate duplicates Z: 8 5.160 1.582 0.455 0.453 0.857 0.571 CB 1.037 8 residues pruned to eliminate duplicates Z: 22 14.761 1.817 0.533 0.528 0.905 0.524 CB 1.243 23 residues pruned to eliminate duplicates Z: 38 26.736 1.923 0.848 0.479 0.892 0.676 CB 1.417 38 residues pruned to eliminate duplicates Z: 8 3.682 1.395 0.360 0.514 0.714 0.429 CB 1.013 Z: 8 4.295 1.474 0.310 0.399 0.857 0.714 CA 1.091 Z: 8 6.024 1.648 0.828 0.569 0.714 0.429 N 0.990 8 residues pruned to eliminate duplicates Z: 8 10.899 1.667 0.745 0.826 1.000 0.714 CB 1.068 8 residues pruned to eliminate duplicates Z: 10 11.670 1.885 0.501 0.783 0.889 0.556 CA 1.205 10 residues pruned to eliminate duplicates Z: 11 14.895 1.702 0.988 0.891 1.000 0.800 CA 1.001 9 residues pruned to eliminate duplicates Z: 14 11.616 1.493 0.683 0.826 0.923 0.462 CB 1.048 14 residues pruned to eliminate duplicates Z: 13 10.987 1.452 0.703 0.852 1.000 0.750 CA 0.949 13 residues pruned to eliminate duplicates Z: 12 10.473 1.617 0.647 0.410 1.000 0.364 CB 1.303 12 residues pruned to eliminate duplicates Z: 12 10.508 1.561 0.550 0.910 1.000 0.909 CA 0.929 12 residues pruned to eliminate duplicates Z: 9 5.692 1.562 0.199 0.605 0.875 0.875 CB 1.111 8 0.923 1.311 0.082 0.071 0.571 0.429 CB 0.753 ? Z: 20 16.526 1.756 0.607 0.642 0.895 0.632 CB 1.315 20 residues pruned to eliminate duplicates Z: 12 14.237 1.748 0.765 0.855 1.000 0.636 CB 1.026 12 residues pruned to eliminate duplicates Z: 11 9.570 1.559 0.267 0.838 1.000 0.800 CA 1.145 11 residues pruned to eliminate duplicates Z: 10 10.538 1.855 1.036 0.875 0.889 0.556 CB 0.761 10 residues pruned to eliminate duplicates Z: 14 10.799 1.839 0.682 0.833 0.846 0.692 CB 0.858 14 residues pruned to eliminate duplicates Z: 36 18.806 1.858 0.746 0.306 0.857 0.457 CA 1.418 36 residues pruned to eliminate duplicates Z: 16 12.703 1.661 0.612 0.750 0.800 0.467 CB 1.225 16 residues pruned to eliminate duplicates Z: 14 6.833 1.723 0.229 0.492 0.923 0.462 CB 0.978 14 residues pruned to eliminate duplicates Z: 12 9.164 1.479 0.410 0.858 1.000 0.818 CA 0.976 12 residues pruned to eliminate duplicates Z: 12 10.948 1.955 0.499 0.897 1.000 0.818 CB 0.806 12 residues pruned to eliminate duplicates Z: 15 14.055 1.566 0.574 0.812 1.000 0.500 CA 1.162 15 residues pruned to eliminate duplicates Z: 11 8.309 1.403 0.473 0.831 1.000 0.600 N 0.956 11 residues pruned to eliminate duplicates Z: 10 5.697 1.748 0.284 0.376 0.778 0.556 CB 1.242 10 residues pruned to eliminate duplicates Z: 15 18.150 1.772 1.052 0.684 0.929 0.786 CB 1.214 21 residues pruned to eliminate duplicates Z: 10 4.123 1.463 0.686 0.350 0.667 0.333 CB 0.984 397 residues left after pruning, divided into chains as follows: A: 11 B: 12 C: 13 D: 17 E: 62 F: 42 G: 13 H: 15 I: 14 J: 6 K: 22 L: 14 M: 43 N: 93 O: 20 CC for partial structure against native data = 36.98 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.436, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.507, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.607, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.618, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.630, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.636, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.641, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.645, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.648, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.649, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2423 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 555 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 26.499 2.167 0.985 0.905 0.923 0.769 CB 1.317 B: 13 19.415 2.017 0.530 0.911 1.000 0.833 CB 1.287 C: 9 28.392 2.286 0.859 0.893 1.000 0.875 CA 1.695 D: 17 32.385 2.054 1.096 0.875 1.000 0.812 CA 1.367 E: 13 19.970 2.159 0.747 0.907 1.000 0.417 CB 1.087 13 residues pruned to eliminate duplicates F: 21 21.278 2.087 0.578 0.588 0.950 0.800 CB 1.397 G: 14 21.999 2.008 0.537 0.913 0.923 0.846 CB 1.517 H: 16 30.905 2.067 0.843 0.882 1.000 0.933 CA 1.515 16 residues pruned to eliminate duplicates I: 12 26.415 1.993 1.015 0.892 1.000 0.818 CA 1.424 9 residues pruned to eliminate duplicates J: 13 23.703 2.175 0.976 0.933 1.000 0.833 CB 1.111 K: 11 31.179 2.063 1.150 0.911 1.000 0.900 CA 1.576 10 residues pruned to eliminate duplicates L: 14 13.606 1.907 0.871 0.417 0.769 0.385 CB 1.498 M: 11 23.927 2.063 0.889 0.896 1.000 0.800 CA 1.392 11 residues pruned to eliminate duplicates N: 11 20.124 2.025 0.823 0.890 0.900 0.600 CA 1.378 11 residues pruned to eliminate duplicates O: 13 26.469 2.180 0.563 0.893 1.000 0.750 CB 1.610 14 residues pruned to eliminate duplicates P: 15 22.934 2.034 1.110 0.865 1.000 0.571 CB 1.047 13 residues pruned to eliminate duplicates Q: 10 20.195 2.243 0.927 0.842 0.889 0.778 CA 1.306 R: 11 24.568 2.031 0.978 0.848 1.000 0.800 CA 1.435 11 residues pruned to eliminate duplicates S: 17 21.054 1.906 0.706 0.803 1.000 0.750 CB 1.242 T: 15 23.898 1.968 0.677 0.911 0.929 0.714 CB 1.477 14 residues pruned to eliminate duplicates U: 8 16.747 2.336 0.449 0.892 0.857 0.571 CA 1.567 V: 11 15.654 2.037 0.348 0.784 1.000 0.500 CA 1.404 11 residues pruned to eliminate duplicates W: 13 19.938 2.006 0.648 0.912 1.000 1.000 CB 1.233 13 residues pruned to eliminate duplicates X: 13 14.628 1.877 0.509 0.782 0.917 0.667 CA 1.269 13 residues pruned to eliminate duplicates Y: 47 35.371 2.081 0.820 0.693 0.891 0.565 CB 1.294 31 residues pruned to eliminate duplicates Z: 12 22.495 2.107 0.746 0.852 1.000 0.727 CA 1.364 12 residues pruned to eliminate duplicates Z: 14 22.897 2.134 0.502 0.866 0.923 0.846 CA 1.570 14 residues pruned to eliminate duplicates Z: 9 22.942 2.049 1.071 0.898 0.875 0.875 CB 1.563 9 residues pruned to eliminate duplicates Z: 114 52.618 2.129 0.794 0.524 0.876 0.487 CB 1.445 71 residues pruned to eliminate duplicates Z: 17 34.302 2.028 1.097 0.883 1.000 0.750 CA 1.458 17 residues pruned to eliminate duplicates Z: 14 16.908 2.111 0.686 0.916 1.000 0.846 CB 0.931 14 residues pruned to eliminate duplicates Z: 6 9.871 1.903 0.451 0.771 1.000 0.600 CA 1.258 6 residues pruned to eliminate duplicates Z: 18 23.299 1.850 0.677 0.848 1.000 0.647 CB 1.351 18 residues pruned to eliminate duplicates Z: 22 21.724 2.035 0.792 0.539 1.000 0.667 CB 1.251 22 residues pruned to eliminate duplicates Z: 9 14.658 2.031 0.685 0.713 0.875 0.750 CA 1.427 Z: 52 30.586 2.056 0.906 0.406 0.843 0.431 CB 1.431 44 residues pruned to eliminate duplicates Z: 11 23.752 2.267 1.133 0.850 0.800 0.800 CA 1.439 Z: 9 15.499 1.986 0.418 0.833 1.000 1.000 CB 1.459 Z: 8 9.158 2.032 -0.092 0.888 1.000 1.000 CB 1.351 8 residues pruned to eliminate duplicates Z: 7 12.419 2.119 0.759 0.782 0.667 0.333 CB 1.592 7 residues pruned to eliminate duplicates Z: 7 8.066 1.696 0.758 0.647 0.833 0.500 CA 1.156 7 residues pruned to eliminate duplicates Z: 11 21.608 2.211 0.407 0.869 1.000 0.700 CA 1.605 Z: 8 12.534 2.110 0.817 0.563 0.714 0.714 CA 1.627 8 residues pruned to eliminate duplicates Z: 8 11.615 1.693 0.716 0.768 0.857 0.429 CB 1.390 8 residues pruned to eliminate duplicates Z: 12 27.970 2.174 1.166 0.874 1.000 0.636 CA 1.303 12 residues pruned to eliminate duplicates Z: 16 30.478 2.040 1.003 0.883 1.000 0.800 CA 1.393 16 residues pruned to eliminate duplicates Z: 13 16.627 1.985 0.463 0.907 1.000 0.750 CB 1.175 13 residues pruned to eliminate duplicates Z: 13 21.173 2.027 0.886 0.855 0.833 0.667 CA 1.416 13 residues pruned to eliminate duplicates Z: 27 28.571 2.113 1.043 0.501 0.885 0.462 CB 1.466 27 residues pruned to eliminate duplicates Z: 13 15.550 1.863 0.475 0.790 1.000 0.667 CA 1.266 Z: 11 20.738 2.010 0.897 0.847 1.000 0.700 CB 1.277 9 residues pruned to eliminate duplicates Z: 8 16.030 2.175 0.286 0.808 1.000 0.857 CA 1.655 8 residues pruned to eliminate duplicates Z: 12 22.510 2.158 0.562 0.857 1.000 0.636 CA 1.483 12 residues pruned to eliminate duplicates Z: 14 14.438 1.706 0.424 0.876 1.000 0.769 CB 1.198 Z: 10 21.817 2.051 1.117 0.861 1.000 0.889 CB 1.231 11 residues pruned to eliminate duplicates Z: 14 27.872 1.949 0.937 0.910 1.000 1.000 CA 1.451 14 residues pruned to eliminate duplicates Z: 15 16.583 2.081 1.062 0.829 0.857 0.643 CB 0.907 15 residues pruned to eliminate duplicates Z: 9 20.858 2.364 0.524 0.893 0.875 0.750 CA 1.680 8 residues pruned to eliminate duplicates Z: 7 9.280 1.620 0.604 0.807 1.000 0.667 CB 1.116 7 residues pruned to eliminate duplicates Z: 7 9.693 1.725 0.650 0.669 1.000 0.833 N 1.189 7 residues pruned to eliminate duplicates Z: 10 26.760 2.234 0.856 0.847 1.000 0.889 CB 1.597 8 residues pruned to eliminate duplicates Z: 63 40.705 2.023 0.961 0.494 0.935 0.468 CB 1.401 Z: 14 26.106 2.151 0.650 0.880 0.923 0.615 CB 1.602 14 residues pruned to eliminate duplicates Z: 16 27.795 1.987 1.040 0.852 0.933 0.867 CA 1.403 16 residues pruned to eliminate duplicates Z: 12 16.856 2.177 0.434 0.814 0.909 0.727 CB 1.363 11 residues pruned to eliminate duplicates Z: 12 21.558 1.965 1.074 0.922 1.000 0.818 CA 1.122 12 residues pruned to eliminate duplicates Z: 38 34.536 2.030 0.978 0.653 0.919 0.568 CB 1.335 37 residues pruned to eliminate duplicates Z: 21 20.258 2.083 0.558 0.573 0.900 0.600 CB 1.445 21 residues pruned to eliminate duplicates Z: 97 53.704 2.083 0.840 0.574 0.958 0.667 CB 1.389 94 residues pruned to eliminate duplicates Z: 7 7.187 1.831 0.138 0.674 0.833 0.667 CA 1.438 7 residues pruned to eliminate duplicates Z: 13 17.279 1.791 0.743 0.907 1.000 0.833 CB 1.135 14 residues pruned to eliminate duplicates Z: 11 19.562 2.178 0.541 0.897 0.900 0.700 CA 1.467 11 residues pruned to eliminate duplicates Z: 12 14.385 1.752 0.605 0.749 0.909 0.636 CB 1.358 Z: 12 24.889 2.032 1.144 0.858 1.000 0.636 CA 1.268 12 residues pruned to eliminate duplicates Z: 11 17.786 2.100 0.464 0.831 1.000 0.600 CA 1.374 11 residues pruned to eliminate duplicates Z: 10 14.740 1.846 0.875 0.584 0.889 0.556 CA 1.474 11 residues pruned to eliminate duplicates Z: 10 17.258 2.136 0.368 0.877 1.000 0.889 CA 1.429 10 residues pruned to eliminate duplicates Z: 9 11.570 2.178 0.286 0.858 0.875 0.750 CB 1.229 9 residues pruned to eliminate duplicates Z: 11 16.855 2.012 0.494 0.831 1.000 0.600 CB 1.332 12 residues pruned to eliminate duplicates Z: 34 30.029 2.038 0.905 0.596 0.909 0.606 CB 1.352 35 residues pruned to eliminate duplicates Z: 12 11.391 1.933 0.621 0.603 0.727 0.364 CB 1.367 12 residues pruned to eliminate duplicates Z: 14 19.117 2.032 0.591 0.933 0.923 0.846 CB 1.240 14 residues pruned to eliminate duplicates Z: 12 28.467 2.122 1.249 0.905 1.000 0.818 CA 1.280 23 residues pruned to eliminate duplicates Z: 9 12.756 2.003 0.336 0.827 1.000 0.875 CA 1.270 9 residues pruned to eliminate duplicates Z: 61 45.107 2.063 1.008 0.522 0.967 0.467 CB 1.422 61 residues pruned to eliminate duplicates Z: 17 16.251 1.879 0.869 0.801 0.875 0.625 CA 1.017 17 residues pruned to eliminate duplicates Z: 6 3.517 1.769 0.637 0.666 1.000 0.600 CB 0.466 Z: 11 17.111 2.195 0.467 0.890 0.800 0.600 CA 1.511 11 residues pruned to eliminate duplicates Z: 10 20.473 2.226 0.750 0.892 0.889 0.667 CA 1.415 10 residues pruned to eliminate duplicates Z: 16 26.525 2.012 0.895 0.812 1.000 0.800 CA 1.369 16 residues pruned to eliminate duplicates Z: 32 21.799 2.154 0.626 0.307 0.903 0.516 CB 1.534 32 residues pruned to eliminate duplicates Z: 14 12.661 1.869 0.494 0.673 0.923 0.615 CB 1.161 14 residues pruned to eliminate duplicates Z: 11 16.624 2.053 0.429 0.841 1.000 0.800 CB 1.336 11 residues pruned to eliminate duplicates Z: 10 17.359 1.958 0.575 0.903 1.000 1.000 CB 1.338 10 residues pruned to eliminate duplicates Z: 12 25.848 2.241 1.143 0.918 0.909 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 8 8.196 1.888 0.647 0.546 0.857 0.571 CB 1.111 Z: 6 9.170 1.852 0.778 0.755 1.000 0.800 CA 0.992 6 residues pruned to eliminate duplicates Z: 11 12.583 2.058 0.265 0.760 0.900 0.900 CA 1.349 11 residues pruned to eliminate duplicates Z: 13 18.305 2.019 0.519 0.818 1.000 0.583 CA 1.307 13 residues pruned to eliminate duplicates Z: 15 10.394 2.102 0.792 0.271 0.643 0.571 CA 1.487 15 residues pruned to eliminate duplicates Z: 13 17.758 1.957 1.011 0.922 1.000 0.667 CB 0.916 13 residues pruned to eliminate duplicates Z: 23 15.570 1.914 0.712 0.514 0.727 0.364 CB 1.374 31 residues pruned to eliminate duplicates Z: 6 8.102 1.801 0.533 0.541 0.800 0.600 N 1.575 6 residues pruned to eliminate duplicates Z: 65 42.295 2.067 0.952 0.536 0.922 0.531 CB 1.372 67 residues pruned to eliminate duplicates Z: 18 18.283 1.856 0.495 0.801 0.941 0.765 CB 1.304 18 residues pruned to eliminate duplicates Z: 11 9.855 1.815 0.146 0.805 1.000 0.700 CB 1.148 11 residues pruned to eliminate duplicates Z: 17 27.349 2.027 0.955 0.859 0.875 0.812 CA 1.451 17 residues pruned to eliminate duplicates Z: 10 19.162 2.129 1.081 0.869 0.889 0.667 CB 1.185 10 residues pruned to eliminate duplicates Z: 13 18.091 2.014 0.743 0.929 1.000 0.500 CB 1.042 13 residues pruned to eliminate duplicates Z: 24 19.498 1.987 0.673 0.530 0.913 0.739 CB 1.301 12 residues pruned to eliminate duplicates Z: 114 61.628 2.083 0.949 0.622 0.929 0.584 CB 1.370 115 residues pruned to eliminate duplicates Z: 6 4.064 1.619 0.112 0.708 0.800 0.400 CB 1.045 Z: 9 24.614 1.956 1.300 0.850 1.000 0.500 CA 1.434 11 residues pruned to eliminate duplicates Z: 13 19.501 2.006 0.690 0.825 1.000 0.667 CB 1.253 13 residues pruned to eliminate duplicates Z: 8 12.625 2.079 0.471 0.580 0.857 0.714 CA 1.685 8 residues pruned to eliminate duplicates Z: 20 17.540 2.028 0.840 0.359 0.895 0.474 CB 1.403 19 residues pruned to eliminate duplicates Z: 13 11.126 1.903 0.345 0.797 0.833 0.833 CA 1.162 13 residues pruned to eliminate duplicates Z: 10 24.161 1.993 0.983 0.882 1.000 0.778 CB 1.474 12 residues pruned to eliminate duplicates Z: 18 18.145 1.957 0.562 0.571 0.941 0.706 CB 1.428 18 residues pruned to eliminate duplicates Z: 14 10.690 2.113 0.236 0.368 0.846 0.538 CB 1.545 Z: 62 44.930 2.079 0.953 0.524 0.967 0.590 CB 1.430 62 residues pruned to eliminate duplicates Z: 6 3.960 1.671 0.471 0.312 0.800 0.400 CB 1.109 Z: 17 20.613 1.916 0.819 0.779 0.875 0.625 CB 1.321 17 residues pruned to eliminate duplicates Z: 22 19.380 1.951 0.756 0.524 0.905 0.476 CB 1.332 21 residues pruned to eliminate duplicates Z: 13 21.783 2.142 0.848 0.903 1.000 0.833 CB 1.132 13 residues pruned to eliminate duplicates Z: 15 19.475 2.042 0.705 0.845 1.000 0.714 CB 1.112 15 residues pruned to eliminate duplicates Z: 27 28.722 2.123 0.940 0.515 0.923 0.500 CB 1.460 27 residues pruned to eliminate duplicates Z: 12 18.501 1.990 0.550 0.827 1.000 0.818 CA 1.362 12 residues pruned to eliminate duplicates Z: 12 14.457 1.731 0.673 0.823 1.000 0.455 CB 1.138 12 residues pruned to eliminate duplicates Z: 12 19.888 1.915 0.765 0.771 0.909 0.636 CA 1.536 12 residues pruned to eliminate duplicates Z: 48 34.072 2.088 0.930 0.413 0.894 0.489 CB 1.512 48 residues pruned to eliminate duplicates Z: 14 20.380 2.110 0.671 0.907 0.923 0.846 CB 1.234 14 residues pruned to eliminate duplicates Z: 9 11.803 1.708 0.667 0.813 0.875 0.750 CB 1.275 9 residues pruned to eliminate duplicates Z: 12 23.313 2.203 0.696 0.823 0.909 0.545 CB 1.564 11 residues pruned to eliminate duplicates Z: 8 15.925 2.099 0.440 0.904 1.000 0.714 CB 1.418 8 residues pruned to eliminate duplicates Z: 11 14.464 1.865 0.582 0.827 1.000 0.600 CA 1.168 11 residues pruned to eliminate duplicates Z: 6 4.487 1.490 0.308 0.426 1.000 0.400 CB 1.112 Z: 7 4.495 1.573 0.202 0.286 1.000 0.667 CB 1.234 Z: 13 10.609 1.873 0.408 0.722 0.833 0.583 CB 1.140 13 residues pruned to eliminate duplicates Z: 6 2.511 1.848 -0.156 0.562 1.000 0.600 CB 0.677 Z: 14 20.818 2.076 0.698 0.921 1.000 0.846 CB 1.153 14 residues pruned to eliminate duplicates Z: 11 16.263 2.138 0.427 0.758 0.900 0.800 CB 1.489 11 residues pruned to eliminate duplicates Z: 11 17.576 2.081 0.435 0.764 1.000 0.700 CA 1.473 11 residues pruned to eliminate duplicates Z: 13 14.369 1.855 0.413 0.843 0.917 0.917 CA 1.285 13 residues pruned to eliminate duplicates Z: 12 23.200 1.929 0.983 0.839 1.000 0.727 CA 1.365 10 residues pruned to eliminate duplicates Z: 18 14.322 1.835 0.765 0.548 0.824 0.765 CB 1.243 18 residues pruned to eliminate duplicates Z: 47 42.595 2.200 0.943 0.636 0.935 0.500 CB 1.384 47 residues pruned to eliminate duplicates Z: 13 18.277 2.077 0.899 0.882 0.917 0.833 CB 1.056 13 residues pruned to eliminate duplicates Z: 62 36.009 2.021 0.702 0.654 0.934 0.656 CB 1.244 62 residues pruned to eliminate duplicates Z: 9 7.078 1.796 0.575 0.337 0.750 0.500 CB 1.409 6 residues pruned to eliminate duplicates Z: 11 16.523 1.786 0.470 0.889 1.000 1.000 CA 1.432 11 residues pruned to eliminate duplicates Z: 9 15.158 1.921 0.377 0.892 1.000 1.000 CB 1.455 9 residues pruned to eliminate duplicates Z: 14 15.705 2.049 0.684 0.444 0.923 0.846 CB 1.449 Z: 16 24.099 1.996 0.635 0.852 1.000 0.867 CB 1.410 16 residues pruned to eliminate duplicates Z: 7 8.122 1.863 0.459 0.752 1.000 0.667 CB 0.974 7 residues pruned to eliminate duplicates Z: 86 48.375 2.021 0.905 0.558 0.918 0.624 CB 1.403 86 residues pruned to eliminate duplicates Z: 15 16.262 2.074 0.924 0.831 0.929 0.571 CB 0.881 15 residues pruned to eliminate duplicates Z: 52 35.360 2.159 0.772 0.405 0.902 0.529 CB 1.586 85 residues pruned to eliminate duplicates Z: 8 13.850 1.956 0.779 0.571 1.000 0.857 N 1.404 8 residues pruned to eliminate duplicates Z: 13 19.950 2.080 0.517 0.826 1.000 0.750 CB 1.377 13 residues pruned to eliminate duplicates Z: 70 38.722 1.973 0.857 0.572 0.913 0.406 CB 1.299 70 residues pruned to eliminate duplicates Z: 11 14.161 2.054 0.400 0.922 0.900 0.900 CB 1.217 11 residues pruned to eliminate duplicates Z: 65 35.746 2.012 0.804 0.503 0.922 0.562 CB 1.331 65 residues pruned to eliminate duplicates Z: 131 57.225 2.128 0.794 0.534 0.908 0.515 CB 1.402 135 residues pruned to eliminate duplicates Z: 13 15.304 1.846 0.481 0.819 0.917 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 12 14.331 1.719 0.858 0.905 1.000 0.909 CB 0.963 12 residues pruned to eliminate duplicates Z: 11 24.534 2.209 0.632 0.907 1.000 0.900 CA 1.529 11 residues pruned to eliminate duplicates Z: 13 16.876 1.916 0.788 0.645 1.000 0.917 CB 1.242 5 residues pruned to eliminate duplicates Z: 17 27.123 1.944 0.921 0.865 1.000 0.688 CB 1.331 17 residues pruned to eliminate duplicates Z: 50 40.501 2.128 0.972 0.475 0.959 0.612 CB 1.474 50 residues pruned to eliminate duplicates Z: 62 39.474 2.142 0.896 0.451 0.902 0.525 CB 1.451 62 residues pruned to eliminate duplicates Z: 16 12.331 1.749 0.694 0.715 0.733 0.333 CB 1.206 16 residues pruned to eliminate duplicates Z: 67 46.914 2.027 1.065 0.651 0.909 0.515 CB 1.318 67 residues pruned to eliminate duplicates Z: 12 26.696 2.057 1.192 0.889 1.000 0.818 CA 1.285 12 residues pruned to eliminate duplicates Z: 12 16.744 1.934 0.465 0.824 1.000 0.636 CB 1.346 12 residues pruned to eliminate duplicates Z: 39 20.661 1.961 0.669 0.305 0.895 0.421 CB 1.421 22 residues pruned to eliminate duplicates Z: 11 26.116 2.039 1.112 0.901 1.000 1.000 CA 1.369 11 residues pruned to eliminate duplicates Z: 15 29.605 2.242 1.170 0.581 1.000 0.643 CB 1.505 15 residues pruned to eliminate duplicates Z: 11 23.098 1.889 1.186 0.894 1.000 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 8 10.104 2.016 0.480 0.738 1.000 0.714 CA 1.034 8 residues pruned to eliminate duplicates Z: 11 20.854 2.020 0.958 0.878 0.900 0.800 CA 1.345 11 residues pruned to eliminate duplicates Z: 56 27.784 2.110 0.752 0.397 0.800 0.600 CB 1.412 56 residues pruned to eliminate duplicates Z: 7 15.604 2.088 0.718 0.880 1.000 0.667 CB 1.287 7 residues pruned to eliminate duplicates Z: 12 15.327 1.786 0.596 0.699 0.909 0.545 CB 1.487 12 residues pruned to eliminate duplicates Z: 12 24.821 1.933 1.531 0.873 1.000 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 17 22.544 1.903 0.867 0.807 1.000 0.688 CB 1.213 17 residues pruned to eliminate duplicates Z: 12 11.539 2.027 0.593 0.476 0.727 0.455 CB 1.517 12 residues pruned to eliminate duplicates Z: 7 6.237 1.944 0.149 0.341 1.000 0.667 N 1.356 13 residues pruned to eliminate duplicates Z: 9 24.828 2.264 0.917 0.896 1.000 0.875 CA 1.448 9 residues pruned to eliminate duplicates Z: 20 26.112 1.941 1.036 0.716 0.947 0.474 CB 1.316 20 residues pruned to eliminate duplicates Z: 15 21.331 2.061 1.022 0.891 1.000 0.786 CB 0.983 15 residues pruned to eliminate duplicates Z: 9 3.430 1.315 0.595 0.350 0.750 0.500 N 0.907 Z: 12 20.932 2.099 0.642 0.882 0.909 0.818 CA 1.458 12 residues pruned to eliminate duplicates Z: 12 24.538 2.170 0.670 0.856 1.000 0.727 CB 1.506 12 residues pruned to eliminate duplicates Z: 17 28.562 1.960 0.914 0.856 1.000 0.750 CA 1.403 17 residues pruned to eliminate duplicates Z: 12 17.899 1.880 0.875 0.859 0.909 0.727 CB 1.239 12 residues pruned to eliminate duplicates Z: 26 19.171 2.009 0.499 0.464 0.960 0.760 CB 1.376 21 residues pruned to eliminate duplicates Z: 85 55.325 2.145 0.922 0.662 0.917 0.595 CB 1.375 84 residues pruned to eliminate duplicates Z: 13 10.844 1.874 0.757 0.308 0.750 0.417 CB 1.568 13 residues pruned to eliminate duplicates Z: 35 27.192 2.089 0.700 0.419 0.912 0.529 CB 1.568 35 residues pruned to eliminate duplicates Z: 118 66.619 2.167 0.933 0.591 0.949 0.590 CB 1.421 141 residues pruned to eliminate duplicates Z: 13 15.206 1.852 0.709 0.817 0.917 0.667 CA 1.149 19 residues pruned to eliminate duplicates Z: 10 22.767 1.984 1.025 0.859 1.000 0.222 CB 1.390 10 residues pruned to eliminate duplicates Z: 12 15.245 1.788 0.843 0.862 0.909 0.818 CB 1.127 12 residues pruned to eliminate duplicates Z: 17 33.196 2.008 1.194 0.865 0.938 0.625 CA 1.473 17 residues pruned to eliminate duplicates Z: 11 10.326 1.856 0.619 0.774 0.800 0.400 CB 1.067 11 residues pruned to eliminate duplicates Z: 54 32.093 2.111 0.688 0.412 0.887 0.604 CB 1.530 44 residues pruned to eliminate duplicates Z: 8 4.128 1.373 -0.012 0.520 1.000 0.571 CB 1.127 Z: 16 25.275 2.020 0.946 0.843 0.933 0.800 CA 1.324 16 residues pruned to eliminate duplicates Z: 13 12.910 1.783 0.581 0.744 0.917 0.750 CB 1.159 13 residues pruned to eliminate duplicates Z: 15 20.498 1.997 0.600 0.855 0.929 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 16 24.042 2.018 0.701 0.886 1.000 0.867 CB 1.305 16 residues pruned to eliminate duplicates Z: 74 44.419 2.150 0.774 0.665 0.849 0.644 CB 1.377 74 residues pruned to eliminate duplicates Z: 7 12.206 1.952 0.869 0.612 0.833 0.833 CB 1.474 Z: 43 27.389 1.837 0.774 0.622 0.952 0.643 CB 1.213 23 residues pruned to eliminate duplicates Z: 61 41.750 2.052 0.865 0.543 0.933 0.567 CB 1.447 61 residues pruned to eliminate duplicates Z: 11 11.524 1.675 0.573 0.821 0.900 0.700 CA 1.163 Z: 11 18.765 1.911 0.885 0.898 1.000 0.800 CB 1.178 11 residues pruned to eliminate duplicates Z: 15 23.913 2.015 0.864 0.914 1.000 0.786 CB 1.203 15 residues pruned to eliminate duplicates Z: 61 50.351 2.065 1.020 0.682 0.917 0.633 CB 1.439 61 residues pruned to eliminate duplicates Z: 11 14.539 2.020 1.121 0.544 0.900 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 17 22.690 1.918 0.928 0.803 0.938 0.562 CB 1.255 17 residues pruned to eliminate duplicates Z: 9 14.174 1.839 0.545 0.884 1.000 1.000 CB 1.274 9 residues pruned to eliminate duplicates Z: 13 15.503 2.067 0.237 0.892 0.917 0.667 CB 1.372 13 residues pruned to eliminate duplicates Z: 12 6.831 1.465 0.513 0.644 0.727 0.455 CB 1.117 12 residues pruned to eliminate duplicates Z: 21 21.866 2.067 0.736 0.559 0.900 0.750 CB 1.430 21 residues pruned to eliminate duplicates Z: 74 43.939 2.100 0.713 0.698 0.890 0.603 CB 1.340 74 residues pruned to eliminate duplicates Z: 26 17.326 2.040 0.593 0.351 0.880 0.440 CB 1.423 26 residues pruned to eliminate duplicates Z: 13 13.724 1.711 0.500 0.842 0.917 0.583 CA 1.255 13 residues pruned to eliminate duplicates Z: 55 34.160 2.110 0.774 0.427 0.907 0.519 CB 1.476 55 residues pruned to eliminate duplicates Z: 61 42.650 2.051 0.927 0.532 0.950 0.583 CB 1.421 61 residues pruned to eliminate duplicates Z: 37 31.695 2.134 0.826 0.465 0.944 0.556 CB 1.487 37 residues pruned to eliminate duplicates Z: 11 12.244 1.852 0.477 0.807 0.900 0.900 CB 1.204 10 residues pruned to eliminate duplicates Z: 43 33.841 2.110 0.728 0.691 0.952 0.524 CB 1.263 43 residues pruned to eliminate duplicates Z: 14 28.821 2.013 0.912 0.897 1.000 0.769 CA 1.487 14 residues pruned to eliminate duplicates Z: 10 14.361 2.089 1.216 0.587 0.889 0.667 CB 1.070 10 residues pruned to eliminate duplicates Z: 7 7.424 1.782 0.073 0.567 1.000 0.667 CB 1.485 Z: 16 12.783 1.803 0.560 0.683 0.800 0.333 CB 1.240 16 residues pruned to eliminate duplicates Z: 50 32.010 2.137 0.772 0.386 0.898 0.469 CB 1.517 50 residues pruned to eliminate duplicates Z: 9 22.160 2.104 0.777 0.879 1.000 1.000 CB 1.519 9 residues pruned to eliminate duplicates Z: 11 16.100 1.879 0.643 0.787 1.000 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 12 27.002 2.179 0.856 0.864 0.909 0.636 CA 1.624 12 residues pruned to eliminate duplicates Z: 8 11.399 1.927 0.853 0.507 0.857 0.714 N 1.397 8 residues pruned to eliminate duplicates Z: 8 2.951 1.484 0.083 0.487 0.714 0.429 CB 0.984 Z: 37 31.270 2.112 0.916 0.456 0.917 0.528 CB 1.469 37 residues pruned to eliminate duplicates Z: 14 16.281 1.683 0.591 0.896 1.000 0.846 CA 1.208 14 residues pruned to eliminate duplicates Z: 11 23.797 2.222 0.815 0.910 0.900 0.600 CA 1.471 11 residues pruned to eliminate duplicates Z: 12 14.364 1.833 0.348 0.858 1.000 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 50 33.080 2.163 0.777 0.419 0.918 0.449 CB 1.457 50 residues pruned to eliminate duplicates Z: 14 16.083 1.700 0.862 0.903 0.923 0.846 CB 1.088 14 residues pruned to eliminate duplicates Z: 10 13.207 1.870 0.646 0.869 0.889 0.889 CA 1.175 10 residues pruned to eliminate duplicates Z: 23 23.365 2.026 0.934 0.325 0.955 0.545 CA 1.614 23 residues pruned to eliminate duplicates Z: 12 15.377 1.884 0.468 0.811 1.000 0.636 CA 1.278 12 residues pruned to eliminate duplicates Z: 7 5.582 1.835 0.322 0.530 0.833 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 13 16.573 1.675 0.839 0.925 1.000 0.750 CB 1.090 13 residues pruned to eliminate duplicates Z: 10 16.771 1.911 0.684 0.848 1.000 0.778 CA 1.288 11 residues pruned to eliminate duplicates Z: 13 18.890 1.759 0.811 0.924 1.000 0.917 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 13.633 1.832 0.381 0.799 0.909 0.545 CA 1.376 12 residues pruned to eliminate duplicates Z: 15 11.119 1.795 0.462 0.683 0.786 0.429 CB 1.218 15 residues pruned to eliminate duplicates Z: 15 24.519 2.012 0.834 0.875 0.857 0.571 CB 1.507 15 residues pruned to eliminate duplicates Z: 10 9.539 1.446 0.694 0.803 1.000 0.556 CB 0.996 10 residues pruned to eliminate duplicates Z: 50 35.957 2.086 0.868 0.441 0.959 0.469 CB 1.460 50 residues pruned to eliminate duplicates Z: 9 9.467 1.535 0.590 0.833 1.000 0.750 CB 1.029 9 residues pruned to eliminate duplicates Z: 17 18.246 1.922 0.838 0.785 0.875 0.562 CB 1.149 17 residues pruned to eliminate duplicates Z: 10 8.726 1.904 0.272 0.815 0.778 0.556 CB 1.174 10 residues pruned to eliminate duplicates Z: 13 18.543 1.789 0.681 0.904 1.000 0.917 CA 1.267 13 residues pruned to eliminate duplicates Z: 6 15.162 2.171 0.601 0.880 1.000 1.000 CB 1.414 8 residues pruned to eliminate duplicates Z: 14 13.655 1.895 0.857 0.451 0.846 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 33 25.457 2.098 0.840 0.357 0.906 0.562 CB 1.500 33 residues pruned to eliminate duplicates Z: 7 10.404 1.677 0.940 0.467 1.000 0.667 CA 1.350 7 residues pruned to eliminate duplicates Z: 54 33.520 2.122 0.680 0.443 0.943 0.623 CB 1.452 54 residues pruned to eliminate duplicates Z: 12 15.552 2.133 0.401 0.854 0.909 0.818 CA 1.275 12 residues pruned to eliminate duplicates Z: 10 27.613 2.155 1.302 0.865 1.000 0.556 CB 1.359 10 residues pruned to eliminate duplicates Z: 14 8.874 1.584 0.606 0.405 0.846 0.385 CA 1.263 14 residues pruned to eliminate duplicates Z: 11 16.495 2.041 0.449 0.867 0.900 0.800 CA 1.433 11 residues pruned to eliminate duplicates Z: 6 6.802 1.616 0.492 0.786 1.000 0.600 CB 0.981 Z: 13 16.091 1.705 0.785 0.906 1.000 0.833 CB 1.085 13 residues pruned to eliminate duplicates Z: 25 28.800 2.192 0.936 0.545 0.875 0.542 CB 1.515 25 residues pruned to eliminate duplicates Z: 14 25.941 2.130 0.801 0.825 0.923 0.538 CB 1.534 14 residues pruned to eliminate duplicates Z: 13 17.475 1.837 0.511 0.884 1.000 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 36 25.375 1.965 0.936 0.616 0.829 0.371 CB 1.219 36 residues pruned to eliminate duplicates Z: 13 26.476 2.094 1.142 0.834 1.000 0.750 CA 1.278 13 residues pruned to eliminate duplicates Z: 10 17.369 1.903 0.616 0.734 1.000 0.667 CB 1.525 10 residues pruned to eliminate duplicates Z: 8 5.763 1.999 0.559 0.213 0.857 0.571 CB 1.143 5 residues pruned to eliminate duplicates Z: 15 31.782 2.060 0.945 0.903 1.000 0.643 CB 1.511 15 residues pruned to eliminate duplicates Z: 17 19.453 1.874 0.615 0.809 0.938 0.562 CB 1.310 17 residues pruned to eliminate duplicates Z: 12 12.093 1.908 0.669 0.657 0.727 0.545 CA 1.360 12 residues pruned to eliminate duplicates Z: 10 13.804 1.934 0.773 0.910 1.000 0.778 CB 0.951 10 residues pruned to eliminate duplicates Z: 13 23.961 2.027 0.928 0.868 1.000 0.833 CA 1.294 13 residues pruned to eliminate duplicates Z: 15 21.157 1.983 0.807 0.595 1.000 0.571 CA 1.442 12 residues pruned to eliminate duplicates Z: 13 9.221 1.805 0.845 0.432 0.750 0.417 CB 1.144 13 residues pruned to eliminate duplicates Z: 11 14.233 1.853 0.669 0.777 0.900 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 46 34.544 2.132 0.722 0.472 0.933 0.578 CB 1.546 46 residues pruned to eliminate duplicates Z: 17 11.616 1.808 0.601 0.390 0.812 0.375 CB 1.387 12 residues pruned to eliminate duplicates Z: 8 3.049 1.536 -0.081 0.544 0.714 0.571 CB 1.095 6 residues pruned to eliminate duplicates Z: 13 20.450 1.788 0.811 0.887 1.000 0.833 CA 1.314 13 residues pruned to eliminate duplicates Z: 6 4.828 1.592 0.097 0.652 0.800 0.600 O 1.342 Z: 11 14.082 1.843 0.420 0.859 1.000 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 14 17.648 1.757 0.645 0.908 1.000 0.846 CB 1.202 14 residues pruned to eliminate duplicates Z: 7 5.792 1.676 0.607 0.266 0.833 0.667 C 1.376 Z: 6 8.324 1.579 0.490 0.780 1.000 0.800 CA 1.236 6 residues pruned to eliminate duplicates Z: 13 14.832 1.834 0.925 0.799 0.917 0.500 CB 1.019 13 residues pruned to eliminate duplicates Z: 6 5.785 1.162 1.117 0.635 1.000 0.800 CA 0.927 Z: 12 15.922 2.049 0.780 0.906 0.909 0.909 CB 1.030 12 residues pruned to eliminate duplicates Z: 20 13.874 1.990 0.711 0.457 0.737 0.421 CB 1.327 20 residues pruned to eliminate duplicates Z: 6 2.738 1.149 0.393 0.794 1.000 0.600 CB 0.591 Z: 14 22.314 2.096 0.607 0.920 1.000 1.000 CA 1.295 14 residues pruned to eliminate duplicates Z: 24 22.422 2.112 0.711 0.400 0.913 0.391 CB 1.575 24 residues pruned to eliminate duplicates Z: 20 21.670 2.011 0.718 0.610 1.000 0.684 CB 1.296 20 residues pruned to eliminate duplicates Z: 9 12.816 1.924 0.414 0.839 1.000 0.875 CB 1.244 9 residues pruned to eliminate duplicates Z: 17 20.366 1.887 0.748 0.803 0.938 0.688 CB 1.264 17 residues pruned to eliminate duplicates Z: 17 27.205 1.939 0.930 0.828 0.938 0.688 CA 1.460 17 residues pruned to eliminate duplicates Z: 11 13.913 1.832 0.482 0.839 0.900 0.900 CB 1.345 11 residues pruned to eliminate duplicates Z: 13 13.912 1.739 0.635 0.878 0.833 0.750 CB 1.230 13 residues pruned to eliminate duplicates Z: 11 12.534 1.816 0.414 0.872 1.000 0.800 CA 1.124 11 residues pruned to eliminate duplicates Z: 7 6.348 1.867 0.116 0.627 1.000 0.333 CB 1.104 7 residues pruned to eliminate duplicates Z: 21 15.114 2.060 0.679 0.396 0.750 0.600 CB 1.454 21 residues pruned to eliminate duplicates Z: 53 32.946 2.128 0.792 0.424 0.904 0.577 CB 1.435 53 residues pruned to eliminate duplicates Z: 9 5.633 1.667 0.332 0.424 1.000 0.500 CB 0.970 9 residues pruned to eliminate duplicates Z: 19 22.347 2.053 0.771 0.616 0.889 0.722 CB 1.461 19 residues pruned to eliminate duplicates Z: 11 8.004 2.020 0.698 0.307 0.700 0.400 CB 1.306 11 residues pruned to eliminate duplicates Z: 13 23.645 2.041 0.935 0.697 1.000 0.583 CB 1.443 13 residues pruned to eliminate duplicates Z: 14 11.049 1.825 0.445 0.547 0.923 0.462 CA 1.203 14 residues pruned to eliminate duplicates Z: 13 14.894 1.722 0.563 0.880 1.000 0.833 CB 1.157 13 residues pruned to eliminate duplicates Z: 14 14.531 1.651 0.484 0.878 1.000 0.769 CB 1.194 14 residues pruned to eliminate duplicates Z: 15 6.643 1.673 0.309 0.332 0.857 0.357 CB 1.137 Z: 10 16.737 1.953 0.754 0.882 0.889 0.556 CB 1.326 10 residues pruned to eliminate duplicates Z: 22 20.645 2.088 0.507 0.525 1.000 0.619 CB 1.397 22 residues pruned to eliminate duplicates Z: 13 17.594 1.997 0.663 0.654 1.000 0.833 CA 1.324 13 residues pruned to eliminate duplicates Z: 67 37.523 2.036 0.847 0.584 0.848 0.455 CB 1.335 67 residues pruned to eliminate duplicates Z: 10 7.304 1.748 0.244 0.493 0.889 0.667 CA 1.268 Z: 11 14.812 1.808 0.556 0.890 1.000 0.700 CA 1.197 11 residues pruned to eliminate duplicates Z: 18 20.562 1.868 0.788 0.740 0.941 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 9 8.795 1.771 0.524 0.520 0.875 0.875 CB 1.291 9 residues pruned to eliminate duplicates Z: 6 4.061 1.485 0.047 0.523 1.000 0.800 CA 1.141 Z: 10 4.030 1.482 0.898 0.255 0.556 0.444 CB 1.139 9 residues pruned to eliminate duplicates Z: 9 8.087 1.417 0.452 0.846 1.000 0.875 CB 1.033 9 residues pruned to eliminate duplicates Z: 8 7.096 1.816 0.125 0.801 0.714 0.714 CB 1.413 8 residues pruned to eliminate duplicates Z: 24 17.064 1.952 0.568 0.547 0.870 0.652 CB 1.277 24 residues pruned to eliminate duplicates Z: 11 16.944 1.954 0.382 0.832 1.000 0.600 CB 1.490 11 residues pruned to eliminate duplicates Z: 16 12.943 1.797 0.520 0.603 0.867 0.533 CB 1.279 16 residues pruned to eliminate duplicates Z: 9 4.715 1.503 0.796 0.209 0.875 0.500 CB 0.995 Z: 10 16.434 1.903 0.570 0.820 1.000 0.444 CA 1.389 10 residues pruned to eliminate duplicates Z: 7 2.677 1.082 0.871 0.357 0.833 0.500 O 0.756 Z: 17 14.669 1.949 0.639 0.548 0.875 0.438 CB 1.252 17 residues pruned to eliminate duplicates Z: 14 16.128 2.065 0.286 0.742 0.923 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 13 25.396 2.099 1.374 0.729 0.833 0.500 CA 1.436 13 residues pruned to eliminate duplicates Z: 6 3.407 1.755 -0.228 0.669 1.000 0.600 CB 0.962 Z: 18 24.200 2.056 0.859 0.720 0.941 0.588 CA 1.337 31 residues pruned to eliminate duplicates Z: 11 16.600 1.946 0.762 0.823 0.900 0.500 CB 1.285 11 residues pruned to eliminate duplicates Z: 8 13.024 2.041 0.494 0.860 0.857 0.714 CA 1.384 8 residues pruned to eliminate duplicates Z: 49 38.617 2.111 0.985 0.432 0.938 0.562 CB 1.522 49 residues pruned to eliminate duplicates Z: 21 19.713 1.974 0.658 0.568 0.950 0.500 CB 1.327 21 residues pruned to eliminate duplicates Z: 17 18.779 1.823 0.690 0.570 1.000 0.688 CB 1.423 17 residues pruned to eliminate duplicates Z: 29 30.087 2.066 0.952 0.425 0.964 0.536 CA 1.580 29 residues pruned to eliminate duplicates 6 1.246 1.679 0.398 0.391 0.600 0.400 CB 0.444 ? Z: 13 18.123 1.966 0.702 0.871 0.917 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 11 19.074 2.055 0.956 0.852 1.000 0.800 CB 1.110 11 residues pruned to eliminate duplicates Z: 8 3.529 1.605 0.446 0.334 0.714 0.286 CA 0.966 10 residues pruned to eliminate duplicates Z: 63 43.651 2.159 0.814 0.621 0.952 0.500 CB 1.328 63 residues pruned to eliminate duplicates Z: 24 17.777 1.993 0.399 0.531 0.913 0.696 CB 1.413 24 residues pruned to eliminate duplicates Z: 10 13.221 1.878 0.505 0.824 1.000 0.556 CA 1.177 9 residues pruned to eliminate duplicates Z: 22 17.854 1.886 0.782 0.428 0.905 0.524 CB 1.380 22 residues pruned to eliminate duplicates Z: 12 23.973 2.066 0.818 0.866 0.909 0.545 CA 1.550 12 residues pruned to eliminate duplicates Z: 13 15.018 1.890 0.400 0.825 1.000 0.500 CA 1.236 13 residues pruned to eliminate duplicates Z: 9 9.660 1.802 0.679 0.517 0.875 0.750 CB 1.269 9 residues pruned to eliminate duplicates Z: 8 4.452 1.713 0.236 0.397 0.857 0.429 CB 1.034 8 residues pruned to eliminate duplicates Z: 7 10.993 2.066 0.550 0.636 1.000 0.667 CB 1.233 7 residues pruned to eliminate duplicates Z: 8 7.773 1.901 0.066 0.495 1.000 0.571 CB 1.458 4 residues pruned to eliminate duplicates Z: 10 8.315 1.381 0.788 0.836 1.000 0.778 CB 0.841 10 residues pruned to eliminate duplicates Z: 89 57.682 2.159 0.829 0.671 0.943 0.670 CB 1.409 104 residues pruned to eliminate duplicates Z: 16 12.561 1.966 0.422 0.726 0.867 0.667 CB 1.092 16 residues pruned to eliminate duplicates 6 1.061 1.315 -0.125 0.296 0.800 0.800 CB 0.647 ? Z: 27 18.456 1.924 0.803 0.335 0.885 0.462 CA 1.413 27 residues pruned to eliminate duplicates Z: 38 21.538 1.952 0.624 0.617 0.838 0.595 CB 1.194 38 residues pruned to eliminate duplicates Z: 10 6.922 1.413 0.517 0.868 0.889 0.556 CB 0.885 10 residues pruned to eliminate duplicates Z: 7 3.118 1.443 0.753 0.341 0.833 0.333 CB 0.718 Z: 13 29.286 2.223 1.277 0.916 1.000 0.833 CB 1.180 13 residues pruned to eliminate duplicates Z: 85 48.721 2.058 0.872 0.594 0.905 0.619 CB 1.395 85 residues pruned to eliminate duplicates Z: 26 17.670 1.900 0.683 0.510 0.840 0.480 CA 1.302 26 residues pruned to eliminate duplicates Z: 16 10.914 2.071 0.689 0.186 0.733 0.400 CB 1.602 16 residues pruned to eliminate duplicates Z: 23 11.526 1.796 0.532 0.377 0.773 0.500 CB 1.318 23 residues pruned to eliminate duplicates Z: 12 13.600 1.923 0.798 0.817 0.727 0.273 CB 1.238 12 residues pruned to eliminate duplicates Z: 39 30.024 2.131 0.796 0.436 0.895 0.474 CB 1.519 39 residues pruned to eliminate duplicates Z: 22 11.145 1.698 0.419 0.438 0.905 0.524 CB 1.190 19 residues pruned to eliminate duplicates Z: 29 26.344 2.068 0.867 0.418 0.929 0.536 CB 1.512 29 residues pruned to eliminate duplicates Z: 22 13.170 1.820 0.512 0.453 0.857 0.524 CB 1.279 22 residues pruned to eliminate duplicates Z: 25 14.768 1.886 0.517 0.560 0.875 0.625 CB 1.136 21 residues pruned to eliminate duplicates Z: 15 26.511 2.051 0.921 0.899 1.000 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 96 50.302 2.008 0.852 0.636 0.905 0.611 CB 1.350 93 residues pruned to eliminate duplicates Z: 8 4.168 1.465 0.419 0.304 1.000 0.714 CA 0.943 Z: 8 11.895 2.143 0.054 0.888 1.000 1.000 CA 1.434 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 14.687 1.843 0.402 0.828 0.909 0.818 CA 1.419 12 residues pruned to eliminate duplicates Z: 17 11.205 1.647 0.424 0.589 0.875 0.750 CB 1.254 18 residues pruned to eliminate duplicates Z: 12 12.902 1.802 0.279 0.863 0.909 0.909 CB 1.362 12 residues pruned to eliminate duplicates Z: 9 15.634 2.027 0.352 0.907 1.000 0.875 CB 1.434 9 residues pruned to eliminate duplicates Z: 16 12.507 1.831 0.449 0.625 0.867 0.667 CB 1.248 16 residues pruned to eliminate duplicates Z: 8 14.775 1.918 0.819 0.753 0.857 0.714 CB 1.490 8 residues pruned to eliminate duplicates Z: 18 16.516 1.843 0.697 0.588 0.882 0.588 CB 1.334 17 residues pruned to eliminate duplicates Z: 10 12.689 1.927 0.891 0.869 0.889 0.667 CB 0.954 10 residues pruned to eliminate duplicates Z: 18 17.549 1.860 0.671 0.614 0.882 0.529 CB 1.393 18 residues pruned to eliminate duplicates Z: 13 28.656 2.183 0.790 0.739 1.000 0.750 CB 1.709 13 residues pruned to eliminate duplicates Z: 13 21.288 1.991 0.699 0.834 0.917 0.667 CA 1.485 13 residues pruned to eliminate duplicates Z: 12 18.576 1.964 0.819 0.699 0.909 0.818 CB 1.439 12 residues pruned to eliminate duplicates Z: 55 29.150 2.025 0.726 0.419 0.852 0.611 CB 1.450 67 residues pruned to eliminate duplicates Z: 14 17.215 2.077 0.766 0.659 0.923 0.231 CB 1.216 Z: 11 25.271 2.225 0.606 0.869 1.000 0.700 CA 1.635 14 residues pruned to eliminate duplicates Z: 11 16.329 2.167 0.265 0.869 1.000 0.900 CA 1.377 11 residues pruned to eliminate duplicates Z: 12 24.256 2.128 0.745 0.760 1.000 0.818 CA 1.562 11 residues pruned to eliminate duplicates Z: 11 18.912 2.142 0.506 0.875 1.000 0.600 CA 1.348 11 residues pruned to eliminate duplicates Z: 14 19.622 2.011 0.673 0.762 1.000 0.692 CB 1.282 14 residues pruned to eliminate duplicates Z: 21 16.068 2.085 0.609 0.464 0.850 0.450 CB 1.308 21 residues pruned to eliminate duplicates Z: 14 20.101 2.132 0.856 0.606 0.769 0.538 CA 1.656 14 residues pruned to eliminate duplicates Z: 13 17.796 2.205 0.651 0.648 0.750 0.500 CB 1.639 13 residues pruned to eliminate duplicates Z: 37 25.674 2.042 0.641 0.469 0.944 0.528 CB 1.395 35 residues pruned to eliminate duplicates Z: 13 26.643 2.041 0.837 0.852 1.000 0.667 CB 1.517 12 residues pruned to eliminate duplicates Z: 12 17.270 2.139 0.694 0.761 0.727 0.455 CB 1.566 12 residues pruned to eliminate duplicates Z: 14 15.612 2.109 0.641 0.629 0.846 0.462 CB 1.310 14 residues pruned to eliminate duplicates Z: 15 18.126 2.095 0.720 0.620 0.929 0.429 CB 1.292 15 residues pruned to eliminate duplicates Z: 12 29.977 2.215 0.961 0.743 1.000 0.545 CB 1.674 14 residues pruned to eliminate duplicates Z: 13 24.908 2.064 1.011 0.826 0.833 0.250 CA 1.568 13 residues pruned to eliminate duplicates Z: 12 33.016 2.149 1.118 0.893 1.000 0.727 CA 1.571 12 residues pruned to eliminate duplicates Z: 13 18.506 1.825 0.782 0.841 1.000 0.667 CA 1.225 13 residues pruned to eliminate duplicates Z: 16 18.214 1.890 0.795 0.563 0.933 0.733 CA 1.397 16 residues pruned to eliminate duplicates Z: 23 16.664 1.959 0.669 0.508 0.818 0.591 CB 1.317 23 residues pruned to eliminate duplicates Z: 21 20.069 2.005 0.860 0.529 0.850 0.750 CB 1.376 21 residues pruned to eliminate duplicates Z: 20 21.731 2.065 0.759 0.524 0.947 0.684 CB 1.415 20 residues pruned to eliminate duplicates Z: 22 26.988 2.062 0.926 0.532 1.000 0.619 CB 1.437 22 residues pruned to eliminate duplicates Z: 25 24.885 1.969 0.855 0.565 0.958 0.625 CA 1.363 25 residues pruned to eliminate duplicates Z: 24 24.672 1.999 0.765 0.536 1.000 0.652 CB 1.408 24 residues pruned to eliminate duplicates Z: 36 25.455 1.953 0.664 0.594 0.886 0.686 CB 1.367 36 residues pruned to eliminate duplicates Z: 18 18.318 1.959 0.539 0.547 1.000 0.765 CA 1.408 18 residues pruned to eliminate duplicates Z: 19 17.858 1.941 0.633 0.501 1.000 0.833 CB 1.327 19 residues pruned to eliminate duplicates Z: 25 20.996 1.960 0.782 0.511 0.917 0.625 CB 1.325 25 residues pruned to eliminate duplicates Z: 18 17.181 1.907 0.536 0.534 1.000 0.647 CA 1.375 18 residues pruned to eliminate duplicates Z: 21 13.769 1.799 0.997 0.389 0.900 0.550 CB 1.072 21 residues pruned to eliminate duplicates Z: 19 17.177 1.949 0.504 0.556 1.000 0.722 CB 1.307 19 residues pruned to eliminate duplicates Z: 62 39.894 2.063 0.960 0.481 0.902 0.541 CB 1.428 62 residues pruned to eliminate duplicates Z: 105 53.960 2.087 0.878 0.596 0.894 0.625 CB 1.377 105 residues pruned to eliminate duplicates Z: 62 38.807 2.066 0.876 0.497 0.918 0.459 CB 1.401 62 residues pruned to eliminate duplicates Z: 61 37.480 2.040 0.827 0.481 0.900 0.533 CB 1.469 61 residues pruned to eliminate duplicates Z: 58 38.177 2.054 0.844 0.497 0.947 0.544 CB 1.413 58 residues pruned to eliminate duplicates Z: 61 40.700 2.055 0.983 0.477 0.933 0.533 CB 1.414 61 residues pruned to eliminate duplicates Z: 33 27.356 2.013 0.687 0.638 0.938 0.562 CB 1.334 33 residues pruned to eliminate duplicates Z: 55 38.387 2.082 0.957 0.521 0.889 0.426 CB 1.412 55 residues pruned to eliminate duplicates Z: 61 44.100 2.071 0.939 0.501 0.967 0.433 CB 1.465 61 residues pruned to eliminate duplicates Z: 58 36.799 2.039 0.891 0.504 0.930 0.474 CB 1.354 58 residues pruned to eliminate duplicates Z: 95 56.990 2.087 0.957 0.576 0.947 0.511 CB 1.413 95 residues pruned to eliminate duplicates Z: 95 58.190 2.091 0.981 0.589 0.915 0.574 CB 1.455 95 residues pruned to eliminate duplicates Z: 97 57.833 2.066 0.965 0.582 0.927 0.615 CB 1.449 97 residues pruned to eliminate duplicates Z: 59 41.351 2.064 0.972 0.507 0.914 0.552 CB 1.450 59 residues pruned to eliminate duplicates Z: 22 23.850 1.949 0.873 0.657 1.000 0.619 CB 1.233 22 residues pruned to eliminate duplicates Z: 17 19.916 2.102 0.956 0.525 0.812 0.438 CB 1.453 17 residues pruned to eliminate duplicates Z: 35 30.725 2.031 0.884 0.595 0.941 0.412 CB 1.336 35 residues pruned to eliminate duplicates Z: 113 61.020 2.096 0.925 0.603 0.920 0.500 CB 1.409 113 residues pruned to eliminate duplicates Z: 36 34.164 2.051 0.956 0.617 0.914 0.429 CB 1.410 36 residues pruned to eliminate duplicates Z: 109 59.380 2.098 0.936 0.581 0.917 0.593 CB 1.420 109 residues pruned to eliminate duplicates Z: 94 56.672 2.080 0.912 0.577 0.946 0.634 CB 1.450 94 residues pruned to eliminate duplicates Z: 59 45.558 2.100 1.025 0.521 0.948 0.517 CB 1.453 59 residues pruned to eliminate duplicates Z: 36 34.966 2.020 1.059 0.628 0.943 0.600 CB 1.336 36 residues pruned to eliminate duplicates Z: 44 33.473 2.079 0.999 0.374 0.953 0.488 CB 1.474 44 residues pruned to eliminate duplicates Z: 112 54.870 2.067 0.914 0.581 0.910 0.640 CB 1.338 112 residues pruned to eliminate duplicates Z: 108 63.688 2.107 0.991 0.604 0.944 0.570 CB 1.408 108 residues pruned to eliminate duplicates Z: 60 38.939 2.039 0.944 0.523 0.898 0.441 CB 1.392 60 residues pruned to eliminate duplicates Z: 110 54.513 2.081 0.912 0.551 0.899 0.495 CB 1.389 110 residues pruned to eliminate duplicates Z: 62 40.225 2.061 0.920 0.493 0.918 0.574 CB 1.427 62 residues pruned to eliminate duplicates Z: 98 54.669 2.079 0.917 0.559 0.928 0.567 CB 1.418 98 residues pruned to eliminate duplicates Z: 99 58.482 2.089 0.960 0.567 0.939 0.592 CB 1.440 99 residues pruned to eliminate duplicates Z: 113 58.662 2.097 0.955 0.569 0.911 0.554 CB 1.388 113 residues pruned to eliminate duplicates Z: 68 37.945 1.992 0.983 0.468 0.881 0.493 CB 1.377 68 residues pruned to eliminate duplicates Z: 63 39.841 2.024 0.885 0.495 0.968 0.532 CB 1.378 63 residues pruned to eliminate duplicates Z: 37 24.275 2.028 0.779 0.391 0.889 0.444 CB 1.416 37 residues pruned to eliminate duplicates Z: 59 37.775 2.032 1.007 0.489 0.879 0.397 CB 1.398 59 residues pruned to eliminate duplicates Z: 106 50.730 2.041 0.955 0.545 0.895 0.495 CB 1.326 106 residues pruned to eliminate duplicates Z: 131 60.352 2.072 0.903 0.554 0.900 0.538 CB 1.415 125 residues pruned to eliminate duplicates Z: 7 6.520 1.471 1.040 0.425 1.000 0.500 C 0.959 7 residues pruned to eliminate duplicates Z: 44 36.767 2.116 0.992 0.459 0.930 0.535 CB 1.491 44 residues pruned to eliminate duplicates Z: 97 55.665 2.059 0.916 0.571 0.948 0.562 CB 1.418 97 residues pruned to eliminate duplicates Z: 97 53.751 2.088 0.859 0.555 0.948 0.594 CB 1.413 97 residues pruned to eliminate duplicates Z: 44 28.766 2.078 0.812 0.369 0.907 0.465 CB 1.479 44 residues pruned to eliminate duplicates Z: 68 41.117 2.001 0.878 0.487 0.940 0.537 CB 1.440 68 residues pruned to eliminate duplicates Z: 62 43.676 2.061 0.968 0.513 0.951 0.557 CB 1.430 62 residues pruned to eliminate duplicates Z: 62 45.308 2.070 1.006 0.513 0.967 0.508 CB 1.425 62 residues pruned to eliminate duplicates Z: 97 54.533 2.068 0.882 0.556 0.927 0.656 CB 1.461 97 residues pruned to eliminate duplicates Z: 61 43.830 2.064 0.959 0.528 0.933 0.533 CB 1.458 61 residues pruned to eliminate duplicates Z: 43 32.355 2.089 0.848 0.414 0.976 0.500 CB 1.450 43 residues pruned to eliminate duplicates Z: 61 43.879 2.079 0.870 0.530 0.967 0.517 CB 1.463 61 residues pruned to eliminate duplicates Z: 99 54.090 2.072 0.860 0.576 0.929 0.602 CB 1.419 99 residues pruned to eliminate duplicates Z: 61 41.362 2.068 0.945 0.544 0.900 0.517 CB 1.414 61 residues pruned to eliminate duplicates Z: 50 39.948 2.132 1.032 0.469 0.918 0.571 CB 1.481 50 residues pruned to eliminate duplicates Z: 61 44.232 2.082 0.890 0.533 0.967 0.633 CB 1.454 61 residues pruned to eliminate duplicates Z: 31 27.546 2.064 0.922 0.450 0.900 0.533 CB 1.483 31 residues pruned to eliminate duplicates Z: 62 43.818 2.078 1.002 0.514 0.918 0.590 CB 1.448 62 residues pruned to eliminate duplicates Z: 64 41.718 2.065 0.938 0.503 0.937 0.460 CB 1.398 64 residues pruned to eliminate duplicates Z: 61 47.392 2.070 0.980 0.547 0.983 0.567 CB 1.450 61 residues pruned to eliminate duplicates Z: 61 42.863 2.056 0.965 0.527 0.933 0.533 CB 1.429 61 residues pruned to eliminate duplicates Z: 22 23.472 2.026 0.847 0.475 0.905 0.476 CB 1.551 22 residues pruned to eliminate duplicates Z: 45 28.553 2.117 0.769 0.397 0.886 0.545 CB 1.445 45 residues pruned to eliminate duplicates Z: 42 38.379 2.203 0.884 0.435 0.951 0.488 CB 1.623 42 residues pruned to eliminate duplicates Z: 54 31.516 2.131 0.782 0.393 0.868 0.491 CB 1.470 54 residues pruned to eliminate duplicates Z: 108 54.780 2.107 0.922 0.585 0.916 0.495 CB 1.316 108 residues pruned to eliminate duplicates Z: 45 30.120 2.109 0.760 0.411 0.909 0.477 CB 1.478 45 residues pruned to eliminate duplicates Z: 52 38.802 2.187 0.743 0.430 0.980 0.510 CB 1.564 52 residues pruned to eliminate duplicates Z: 8 14.401 2.082 0.566 0.749 1.000 0.857 CA 1.337 8 residues pruned to eliminate duplicates Z: 43 29.590 2.166 0.806 0.421 0.833 0.571 CB 1.520 43 residues pruned to eliminate duplicates Z: 58 35.888 2.111 0.816 0.448 0.930 0.491 CB 1.407 58 residues pruned to eliminate duplicates Z: 51 34.732 2.175 0.854 0.405 0.880 0.560 CB 1.529 51 residues pruned to eliminate duplicates Z: 43 32.203 2.150 0.850 0.464 0.929 0.619 CB 1.396 43 residues pruned to eliminate duplicates Z: 47 34.939 2.127 0.886 0.415 0.935 0.609 CB 1.501 47 residues pruned to eliminate duplicates Z: 54 34.401 2.134 0.837 0.397 0.887 0.547 CB 1.516 54 residues pruned to eliminate duplicates Z: 38 26.238 2.088 0.740 0.363 0.892 0.486 CB 1.543 38 residues pruned to eliminate duplicates Z: 31 28.035 2.158 0.878 0.401 0.933 0.500 CB 1.502 31 residues pruned to eliminate duplicates Z: 51 37.125 2.176 0.849 0.423 0.920 0.580 CB 1.536 51 residues pruned to eliminate duplicates Z: 62 34.393 2.073 0.804 0.406 0.885 0.475 CB 1.469 58 residues pruned to eliminate duplicates Z: 6 4.684 1.835 1.190 0.262 0.800 0.400 CA 0.854 6 residues pruned to eliminate duplicates Z: 62 37.392 2.137 0.784 0.459 0.885 0.541 CB 1.479 62 residues pruned to eliminate duplicates Z: 90 48.797 2.139 0.913 0.552 0.888 0.551 CB 1.353 90 residues pruned to eliminate duplicates Z: 32 29.189 2.202 0.736 0.379 0.968 0.484 CA 1.611 32 residues pruned to eliminate duplicates Z: 35 22.822 2.029 0.773 0.327 0.912 0.441 CB 1.442 35 residues pruned to eliminate duplicates Z: 122 57.854 2.151 0.873 0.531 0.901 0.554 CB 1.405 122 residues pruned to eliminate duplicates Z: 55 32.262 2.114 0.776 0.377 0.907 0.426 CB 1.470 55 residues pruned to eliminate duplicates Z: 26 24.700 2.104 0.891 0.357 0.920 0.520 CB 1.575 26 residues pruned to eliminate duplicates Z: 124 62.268 2.124 0.852 0.556 0.951 0.512 CB 1.420 124 residues pruned to eliminate duplicates Z: 55 36.218 2.124 0.764 0.470 0.926 0.519 CB 1.465 55 residues pruned to eliminate duplicates Z: 31 22.055 2.137 0.725 0.314 0.833 0.467 CB 1.610 31 residues pruned to eliminate duplicates Z: 52 32.741 2.137 0.793 0.404 0.882 0.510 CB 1.500 52 residues pruned to eliminate duplicates Z: 47 28.451 2.090 0.810 0.392 0.848 0.565 CB 1.466 47 residues pruned to eliminate duplicates Z: 60 30.179 2.068 0.755 0.369 0.881 0.508 CB 1.413 60 residues pruned to eliminate duplicates Z: 119 60.495 2.175 0.789 0.549 0.932 0.568 CB 1.463 119 residues pruned to eliminate duplicates Z: 53 35.832 2.153 0.786 0.431 0.923 0.558 CB 1.505 53 residues pruned to eliminate duplicates Z: 52 35.221 2.117 0.934 0.449 0.882 0.529 CB 1.438 52 residues pruned to eliminate duplicates Z: 53 36.695 2.168 0.734 0.452 0.923 0.558 CB 1.539 53 residues pruned to eliminate duplicates Z: 52 37.674 2.177 0.819 0.459 0.902 0.608 CB 1.540 52 residues pruned to eliminate duplicates Z: 74 40.338 2.115 0.745 0.487 0.904 0.493 CB 1.433 74 residues pruned to eliminate duplicates Z: 53 34.361 2.177 0.707 0.413 0.904 0.538 CB 1.554 53 residues pruned to eliminate duplicates Z: 54 35.637 2.144 0.832 0.423 0.887 0.491 CB 1.522 54 residues pruned to eliminate duplicates Z: 9 9.230 1.904 0.509 0.375 1.000 0.500 CB 1.299 24 residues pruned to eliminate duplicates Z: 6 10.495 1.756 1.184 0.604 1.000 0.800 CB 1.109 6 residues pruned to eliminate duplicates Z: 9 9.719 1.800 0.818 0.453 0.750 0.625 O 1.469 21 residues pruned to eliminate duplicates Z: 6 4.754 1.464 0.893 0.458 1.000 0.400 C 0.800 6 residues pruned to eliminate duplicates Z: 13 9.225 1.843 0.696 0.381 0.833 0.333 N 1.161 13 residues pruned to eliminate duplicates Z: 10 16.148 2.103 0.735 0.542 0.889 0.556 N 1.592 10 residues pruned to eliminate duplicates Z: 12 10.391 1.919 0.637 0.368 0.818 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 10 10.742 1.971 0.519 0.493 0.889 0.778 CA 1.356 Z: 13 22.017 2.060 1.067 0.742 0.917 0.667 CB 1.312 13 residues pruned to eliminate duplicates Z: 34 24.204 1.950 0.746 0.585 0.909 0.636 CB 1.254 34 residues pruned to eliminate duplicates Z: 11 26.696 2.079 1.538 0.831 0.900 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 38 21.667 1.919 0.691 0.547 0.838 0.378 CB 1.251 38 residues pruned to eliminate duplicates Z: 28 22.699 2.003 0.964 0.532 0.852 0.593 CB 1.263 28 residues pruned to eliminate duplicates Z: 33 27.732 1.959 0.848 0.608 0.938 0.562 CB 1.304 33 residues pruned to eliminate duplicates Z: 29 20.547 1.983 0.829 0.453 0.893 0.464 CB 1.259 29 residues pruned to eliminate duplicates Z: 39 23.160 1.910 0.817 0.558 0.842 0.553 CB 1.215 39 residues pruned to eliminate duplicates Z: 10 31.371 2.123 1.432 0.857 1.000 0.556 CB 1.492 10 residues pruned to eliminate duplicates Z: 18 22.676 2.002 1.069 0.574 0.941 0.412 CB 1.313 18 residues pruned to eliminate duplicates Z: 32 25.696 1.932 0.830 0.604 0.968 0.645 CB 1.222 32 residues pruned to eliminate duplicates Z: 14 19.021 1.986 0.556 0.897 1.000 0.692 CB 1.222 14 residues pruned to eliminate duplicates Z: 18 12.877 1.926 0.567 0.637 0.824 0.647 CB 1.106 18 residues pruned to eliminate duplicates Z: 44 41.787 2.115 0.909 0.766 0.930 0.674 CB 1.340 44 residues pruned to eliminate duplicates Z: 13 13.780 2.122 0.670 0.691 0.833 0.417 CB 1.131 13 residues pruned to eliminate duplicates Z: 15 12.009 1.922 0.576 0.643 0.786 0.357 CB 1.180 15 residues pruned to eliminate duplicates Z: 47 36.873 2.128 0.909 0.708 0.891 0.522 CB 1.244 47 residues pruned to eliminate duplicates Z: 43 33.857 2.132 0.776 0.743 0.857 0.595 CB 1.295 43 residues pruned to eliminate duplicates Z: 47 40.076 2.083 0.939 0.708 0.957 0.543 CB 1.266 47 residues pruned to eliminate duplicates Z: 57 38.983 2.089 0.925 0.612 0.893 0.607 CB 1.305 57 residues pruned to eliminate duplicates Z: 48 35.138 2.086 0.928 0.683 0.830 0.532 CB 1.298 48 residues pruned to eliminate duplicates Z: 46 37.040 2.152 0.767 0.714 0.911 0.689 CB 1.312 46 residues pruned to eliminate duplicates Z: 11 10.766 1.829 0.436 0.596 0.900 0.200 CA 1.314 11 residues pruned to eliminate duplicates Z: 8 12.434 1.946 0.841 0.607 1.000 0.571 CB 1.184 8 residues pruned to eliminate duplicates Z: 23 20.345 1.963 0.672 0.551 0.955 0.545 CB 1.317 23 residues pruned to eliminate duplicates Z: 23 18.512 1.915 0.519 0.528 1.000 0.545 CB 1.321 23 residues pruned to eliminate duplicates Z: 21 18.483 1.958 0.642 0.569 0.900 0.450 CB 1.336 21 residues pruned to eliminate duplicates Z: 22 20.091 2.095 0.474 0.482 0.952 0.619 CB 1.518 22 residues pruned to eliminate duplicates Z: 24 17.819 1.993 0.495 0.504 0.870 0.652 CB 1.428 24 residues pruned to eliminate duplicates Z: 22 17.400 2.047 0.543 0.545 0.857 0.571 CB 1.343 22 residues pruned to eliminate duplicates Z: 22 21.501 2.077 0.753 0.531 0.857 0.571 CB 1.458 22 residues pruned to eliminate duplicates Z: 16 9.591 1.860 0.563 0.384 0.867 0.467 CB 1.111 13 residues pruned to eliminate duplicates Z: 13 20.130 2.183 0.518 0.681 0.917 0.500 CA 1.621 13 residues pruned to eliminate duplicates Z: 21 26.341 2.082 0.757 0.598 1.000 0.650 CB 1.467 24 residues pruned to eliminate duplicates Z: 12 19.630 1.989 0.608 0.818 1.000 0.545 CA 1.404 12 residues pruned to eliminate duplicates Z: 20 16.467 2.032 0.571 0.458 0.895 0.579 CB 1.380 20 residues pruned to eliminate duplicates Z: 20 22.486 2.081 0.593 0.580 1.000 0.737 CB 1.441 20 residues pruned to eliminate duplicates Z: 17 13.225 2.036 0.679 0.451 0.750 0.562 CB 1.356 17 residues pruned to eliminate duplicates Z: 25 24.379 2.053 0.671 0.554 0.958 0.750 CB 1.436 23 residues pruned to eliminate duplicates Z: 13 16.909 1.901 0.687 0.778 1.000 0.583 CA 1.191 13 residues pruned to eliminate duplicates Z: 23 20.612 1.998 0.822 0.532 0.864 0.364 CB 1.354 23 residues pruned to eliminate duplicates Z: 14 19.457 1.969 0.733 0.536 0.923 0.385 CA 1.654 14 residues pruned to eliminate duplicates Z: 22 22.238 2.071 0.847 0.520 0.905 0.619 CB 1.375 22 residues pruned to eliminate duplicates Z: 37 25.261 2.023 0.670 0.571 0.917 0.583 CB 1.269 33 residues pruned to eliminate duplicates Z: 10 22.151 2.313 0.825 0.705 0.889 0.778 CA 1.633 10 residues pruned to eliminate duplicates Z: 16 17.530 2.135 0.703 0.477 0.800 0.600 CA 1.592 16 residues pruned to eliminate duplicates Z: 12 31.986 2.332 1.054 0.677 1.000 0.818 CA 1.711 12 residues pruned to eliminate duplicates Z: 16 21.773 2.166 1.013 0.495 0.867 0.533 CB 1.496 16 residues pruned to eliminate duplicates Z: 16 27.719 2.232 1.090 0.495 0.933 0.600 CA 1.653 16 residues pruned to eliminate duplicates Z: 17 23.187 2.069 1.035 0.515 0.938 0.562 CB 1.448 17 residues pruned to eliminate duplicates Z: 128 59.201 2.065 0.931 0.562 0.913 0.606 CB 1.359 128 residues pruned to eliminate duplicates Z: 15 25.461 2.157 0.935 0.531 1.000 0.500 CA 1.581 15 residues pruned to eliminate duplicates Z: 22 25.135 2.142 0.787 0.514 0.857 0.619 CB 1.648 22 residues pruned to eliminate duplicates Z: 15 27.014 2.215 0.952 0.587 0.929 0.500 CA 1.655 15 residues pruned to eliminate duplicates Z: 26 40.546 2.189 1.205 0.740 0.920 0.560 CB 1.472 26 residues pruned to eliminate duplicates Z: 25 39.147 2.225 1.100 0.769 0.917 0.625 CB 1.470 25 residues pruned to eliminate duplicates Z: 30 43.489 2.178 1.092 0.746 0.966 0.552 CB 1.474 30 residues pruned to eliminate duplicates Z: 34 35.172 2.077 0.922 0.663 0.970 0.636 CB 1.359 34 residues pruned to eliminate duplicates Z: 53 41.166 2.108 0.910 0.679 0.885 0.538 CB 1.359 53 residues pruned to eliminate duplicates Z: 31 43.679 2.157 1.144 0.735 0.967 0.633 CB 1.445 31 residues pruned to eliminate duplicates Z: 37 40.142 2.098 0.959 0.688 0.944 0.639 CB 1.451 37 residues pruned to eliminate duplicates Z: 38 33.656 2.057 0.968 0.648 0.865 0.622 CB 1.376 38 residues pruned to eliminate duplicates Z: 101 54.532 2.058 0.964 0.541 0.930 0.530 CB 1.393 101 residues pruned to eliminate duplicates Z: 107 50.466 2.066 0.898 0.545 0.896 0.547 CB 1.335 107 residues pruned to eliminate duplicates Z: 32 39.608 2.143 1.121 0.704 0.935 0.419 CB 1.389 32 residues pruned to eliminate duplicates Z: 45 48.708 2.158 1.060 0.760 0.955 0.614 CB 1.373 45 residues pruned to eliminate duplicates Z: 107 54.147 2.068 0.900 0.561 0.896 0.538 CB 1.408 107 residues pruned to eliminate duplicates Z: 98 56.485 2.072 0.958 0.575 0.938 0.557 CB 1.402 98 residues pruned to eliminate duplicates Z: 67 51.926 2.149 0.897 0.687 0.894 0.606 CB 1.477 75 residues pruned to eliminate duplicates Z: 17 33.690 2.028 1.267 0.856 0.938 0.750 CA 1.442 17 residues pruned to eliminate duplicates Z: 97 55.439 2.095 0.875 0.564 0.938 0.562 CB 1.444 97 residues pruned to eliminate duplicates Z: 58 37.009 2.095 0.793 0.606 0.842 0.491 CB 1.401 58 residues pruned to eliminate duplicates Z: 40 37.099 2.028 1.003 0.651 0.923 0.641 CB 1.377 40 residues pruned to eliminate duplicates Z: 51 31.001 1.988 0.804 0.589 0.880 0.640 CB 1.276 51 residues pruned to eliminate duplicates Z: 80 56.027 2.079 0.983 0.687 0.949 0.658 CB 1.357 80 residues pruned to eliminate duplicates Z: 48 40.151 2.133 0.956 0.683 0.894 0.617 CB 1.327 48 residues pruned to eliminate duplicates Z: 31 36.507 2.144 0.955 0.698 0.967 0.667 CB 1.373 31 residues pruned to eliminate duplicates Z: 25 28.673 1.996 0.945 0.563 0.958 0.500 CA 1.480 25 residues pruned to eliminate duplicates Z: 93 53.351 2.084 0.934 0.569 0.935 0.554 CB 1.382 93 residues pruned to eliminate duplicates Z: 97 54.866 2.092 0.949 0.558 0.927 0.562 CB 1.400 97 residues pruned to eliminate duplicates Z: 53 42.360 2.094 0.921 0.682 0.904 0.692 CB 1.367 53 residues pruned to eliminate duplicates Z: 51 39.798 2.069 0.927 0.640 0.920 0.620 CB 1.346 51 residues pruned to eliminate duplicates Z: 55 35.969 2.060 0.866 0.639 0.889 0.630 CB 1.257 55 residues pruned to eliminate duplicates Z: 61 42.647 2.038 0.841 0.672 0.933 0.650 CB 1.342 61 residues pruned to eliminate duplicates Z: 30 28.948 2.003 1.014 0.595 0.862 0.517 CA 1.412 30 residues pruned to eliminate duplicates Z: 55 28.645 1.906 0.774 0.557 0.852 0.593 CB 1.280 55 residues pruned to eliminate duplicates Z: 16 10.774 1.717 0.923 0.563 0.800 0.667 CA 0.991 16 residues pruned to eliminate duplicates Z: 12 16.227 1.851 0.591 0.776 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 12 15.922 1.824 0.633 0.835 1.000 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 20 11.302 1.699 0.508 0.491 0.842 0.632 CB 1.213 20 residues pruned to eliminate duplicates Z: 17 13.927 1.727 0.465 0.695 1.000 0.750 CB 1.151 17 residues pruned to eliminate duplicates Z: 28 14.223 1.774 0.321 0.513 0.926 0.556 CB 1.245 28 residues pruned to eliminate duplicates Z: 13 12.437 1.854 0.419 0.679 0.917 0.750 CB 1.262 13 residues pruned to eliminate duplicates Z: 17 14.025 1.637 0.512 0.759 1.000 0.625 CB 1.125 17 residues pruned to eliminate duplicates Z: 10 15.845 1.877 0.719 0.810 1.000 1.000 CA 1.250 10 residues pruned to eliminate duplicates Z: 8 7.107 1.589 0.455 0.544 0.857 0.571 CB 1.298 10 residues pruned to eliminate duplicates Z: 6 2.691 1.455 0.678 0.474 0.800 0.600 CB 0.632 6 residues pruned to eliminate duplicates Z: 8 14.592 1.977 0.556 0.784 1.000 0.857 CB 1.397 6 residues pruned to eliminate duplicates Z: 6 3.504 1.839 0.081 0.528 0.600 0.600 CB 1.278 6 residues pruned to eliminate duplicates Z: 25 33.012 2.081 0.907 0.595 1.000 0.750 CA 1.552 25 residues pruned to eliminate duplicates Z: 6 5.531 1.870 0.060 0.448 1.000 0.400 CA 1.316 6 residues pruned to eliminate duplicates Z: 26 26.410 2.157 0.902 0.507 0.920 0.640 CA 1.390 26 residues pruned to eliminate duplicates Z: 26 21.653 2.022 0.692 0.521 0.920 0.680 CA 1.348 26 residues pruned to eliminate duplicates Z: 28 19.318 2.067 0.756 0.391 0.852 0.630 CA 1.349 28 residues pruned to eliminate duplicates Z: 15 22.957 2.214 1.017 0.527 0.929 0.571 CA 1.440 15 residues pruned to eliminate duplicates Z: 74 48.756 2.138 0.818 0.676 0.904 0.644 CB 1.381 74 residues pruned to eliminate duplicates Z: 14 29.800 2.276 1.191 0.570 1.000 0.769 CA 1.549 14 residues pruned to eliminate duplicates Z: 37 34.821 2.136 0.756 0.633 0.944 0.694 CB 1.445 37 residues pruned to eliminate duplicates Z: 15 23.432 2.221 1.109 0.528 0.929 0.500 CA 1.401 15 residues pruned to eliminate duplicates Z: 85 53.986 2.121 0.876 0.682 0.905 0.583 CB 1.385 85 residues pruned to eliminate duplicates Z: 84 54.515 2.110 0.836 0.693 0.964 0.590 CB 1.343 84 residues pruned to eliminate duplicates Z: 21 21.247 2.107 0.828 0.522 0.850 0.550 CA 1.421 21 residues pruned to eliminate duplicates Z: 28 31.656 2.238 0.674 0.637 0.926 0.556 CB 1.545 28 residues pruned to eliminate duplicates Z: 27 32.426 2.266 0.586 0.629 1.000 0.615 CB 1.569 27 residues pruned to eliminate duplicates Z: 60 45.418 2.148 0.770 0.740 0.949 0.678 CB 1.321 60 residues pruned to eliminate duplicates Z: 35 29.963 2.151 0.743 0.596 0.912 0.529 CB 1.372 35 residues pruned to eliminate duplicates Z: 54 41.768 2.149 0.842 0.685 0.925 0.660 CB 1.324 54 residues pruned to eliminate duplicates Z: 53 43.502 2.144 0.912 0.675 0.923 0.635 CB 1.357 53 residues pruned to eliminate duplicates Z: 47 27.673 2.075 0.720 0.500 0.826 0.565 CB 1.383 47 residues pruned to eliminate duplicates Z: 73 42.569 2.076 0.731 0.650 0.917 0.653 CB 1.324 73 residues pruned to eliminate duplicates Z: 61 47.292 2.144 0.852 0.716 0.933 0.600 CB 1.355 61 residues pruned to eliminate duplicates Z: 53 38.860 2.097 0.847 0.659 0.904 0.558 CB 1.329 53 residues pruned to eliminate duplicates Z: 18 15.921 1.981 0.926 0.656 0.765 0.353 CB 1.145 18 residues pruned to eliminate duplicates Z: 71 51.263 2.155 0.877 0.689 0.900 0.600 CB 1.416 71 residues pruned to eliminate duplicates Z: 37 35.766 2.104 0.946 0.695 0.917 0.583 CB 1.329 37 residues pruned to eliminate duplicates Z: 46 31.740 2.115 0.774 0.600 0.889 0.667 CB 1.290 46 residues pruned to eliminate duplicates Z: 45 36.899 2.138 0.837 0.718 0.909 0.614 CB 1.279 45 residues pruned to eliminate duplicates Z: 46 37.468 2.114 0.877 0.695 0.911 0.778 CB 1.293 46 residues pruned to eliminate duplicates Z: 75 51.245 2.171 0.785 0.696 0.905 0.541 CB 1.420 75 residues pruned to eliminate duplicates Z: 73 49.696 2.135 0.839 0.661 0.972 0.556 CB 1.321 73 residues pruned to eliminate duplicates Z: 73 51.056 2.178 0.793 0.698 0.917 0.542 CB 1.403 73 residues pruned to eliminate duplicates Z: 71 43.455 2.119 0.809 0.645 0.857 0.529 CB 1.380 71 residues pruned to eliminate duplicates Z: 49 33.972 2.026 0.814 0.682 0.938 0.521 CB 1.204 49 residues pruned to eliminate duplicates Z: 61 46.953 2.149 0.798 0.718 0.967 0.617 CB 1.333 61 residues pruned to eliminate duplicates Z: 61 43.835 2.147 0.790 0.726 0.900 0.617 CB 1.334 61 residues pruned to eliminate duplicates Z: 44 36.539 2.152 0.852 0.699 0.907 0.512 CB 1.286 44 residues pruned to eliminate duplicates Z: 54 45.383 2.105 0.952 0.686 0.943 0.528 CB 1.357 54 residues pruned to eliminate duplicates Z: 46 36.937 2.085 0.835 0.712 0.956 0.489 CB 1.243 46 residues pruned to eliminate duplicates Z: 52 46.238 2.172 0.961 0.692 0.941 0.627 CB 1.355 52 residues pruned to eliminate duplicates Z: 44 35.877 2.133 0.916 0.720 0.884 0.628 CB 1.241 44 residues pruned to eliminate duplicates Z: 54 41.952 2.137 0.900 0.675 0.906 0.604 CB 1.333 54 residues pruned to eliminate duplicates Z: 82 54.594 2.150 0.867 0.674 0.926 0.605 CB 1.391 82 residues pruned to eliminate duplicates Z: 84 50.486 2.160 0.790 0.646 0.928 0.614 CB 1.349 84 residues pruned to eliminate duplicates Z: 45 36.564 2.156 0.745 0.711 0.909 0.659 CB 1.331 45 residues pruned to eliminate duplicates Z: 60 45.918 2.161 0.812 0.714 0.932 0.627 CB 1.348 60 residues pruned to eliminate duplicates Z: 57 44.525 2.140 0.830 0.659 0.964 0.589 CB 1.359 57 residues pruned to eliminate duplicates Z: 63 48.959 2.128 0.840 0.736 0.968 0.645 CB 1.327 63 residues pruned to eliminate duplicates Z: 75 49.305 2.156 0.792 0.655 0.946 0.635 CB 1.358 75 residues pruned to eliminate duplicates Z: 60 47.091 2.149 0.863 0.734 0.966 0.678 CB 1.285 60 residues pruned to eliminate duplicates Z: 61 42.205 2.100 0.766 0.690 0.933 0.600 CB 1.322 61 residues pruned to eliminate duplicates Z: 119 56.860 2.115 0.807 0.584 0.949 0.593 CB 1.331 119 residues pruned to eliminate duplicates Z: 38 31.666 2.094 0.806 0.639 0.919 0.649 CB 1.314 38 residues pruned to eliminate duplicates Z: 129 57.691 2.137 0.895 0.531 0.883 0.547 CB 1.383 129 residues pruned to eliminate duplicates Z: 38 26.667 2.096 0.712 0.591 0.865 0.541 CB 1.295 38 residues pruned to eliminate duplicates Z: 69 51.115 2.191 0.883 0.655 0.941 0.559 CB 1.382 69 residues pruned to eliminate duplicates Z: 15 12.907 2.011 0.506 0.682 0.857 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 41 30.042 2.042 0.733 0.583 0.900 0.575 CB 1.377 41 residues pruned to eliminate duplicates Z: 17 14.410 1.943 0.639 0.707 0.812 0.625 CB 1.153 17 residues pruned to eliminate duplicates Z: 73 48.712 2.166 0.896 0.658 0.889 0.542 CB 1.359 73 residues pruned to eliminate duplicates Z: 60 35.316 2.096 0.618 0.630 0.949 0.559 CB 1.264 60 residues pruned to eliminate duplicates Z: 61 43.482 2.138 0.764 0.696 0.917 0.617 CB 1.357 61 residues pruned to eliminate duplicates Z: 23 11.194 1.773 0.518 0.558 0.818 0.455 CB 1.025 23 residues pruned to eliminate duplicates Z: 57 46.922 2.170 0.811 0.706 0.964 0.732 CB 1.372 57 residues pruned to eliminate duplicates Z: 13 9.627 1.991 0.457 0.445 0.917 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 61 43.892 2.148 0.820 0.705 0.900 0.567 CB 1.337 61 residues pruned to eliminate duplicates Z: 16 13.862 1.996 0.425 0.687 0.867 0.533 CB 1.223 16 residues pruned to eliminate duplicates Z: 34 18.204 1.924 0.467 0.413 0.909 0.455 CB 1.352 34 residues pruned to eliminate duplicates Z: 13 13.098 1.742 0.847 0.757 0.917 0.583 CB 1.020 13 residues pruned to eliminate duplicates Z: 85 55.876 2.117 0.894 0.677 0.929 0.631 CB 1.391 85 residues pruned to eliminate duplicates Z: 98 49.275 2.133 0.845 0.531 0.907 0.536 CB 1.359 98 residues pruned to eliminate duplicates Z: 55 35.647 2.181 0.838 0.403 0.907 0.481 CB 1.477 55 residues pruned to eliminate duplicates Z: 53 35.430 2.131 0.810 0.433 0.942 0.519 CB 1.448 53 residues pruned to eliminate duplicates Z: 51 34.595 2.184 0.704 0.430 0.900 0.460 CB 1.571 51 residues pruned to eliminate duplicates Z: 51 35.704 2.199 0.738 0.401 0.940 0.480 CB 1.559 51 residues pruned to eliminate duplicates Z: 45 32.301 2.161 0.776 0.434 0.932 0.523 CB 1.458 45 residues pruned to eliminate duplicates Z: 54 35.554 2.144 0.754 0.495 0.906 0.547 CB 1.442 54 residues pruned to eliminate duplicates Z: 53 35.680 2.129 0.941 0.483 0.885 0.538 CB 1.377 53 residues pruned to eliminate duplicates Z: 62 38.821 2.136 0.755 0.459 0.934 0.607 CB 1.480 62 residues pruned to eliminate duplicates Z: 71 29.463 1.981 0.789 0.386 0.857 0.471 CB 1.309 71 residues pruned to eliminate duplicates Z: 12 14.864 1.830 0.443 0.906 1.000 1.000 CA 1.207 12 residues pruned to eliminate duplicates Z: 16 14.560 1.806 0.601 0.622 1.000 0.667 CB 1.159 16 residues pruned to eliminate duplicates Z: 46 24.260 1.863 0.652 0.500 0.933 0.467 CB 1.259 64 residues pruned to eliminate duplicates Z: 13 18.755 1.775 0.697 0.904 1.000 1.000 CA 1.280 13 residues pruned to eliminate duplicates Z: 19 11.653 1.802 0.456 0.501 0.944 0.611 CB 1.107 19 residues pruned to eliminate duplicates Z: 34 26.980 1.964 0.896 0.568 0.879 0.606 CB 1.343 34 residues pruned to eliminate duplicates Z: 19 13.506 1.785 0.736 0.535 1.000 0.611 CB 0.992 19 residues pruned to eliminate duplicates Z: 22 10.070 1.678 0.513 0.505 0.857 0.333 CB 1.005 22 residues pruned to eliminate duplicates Z: 57 28.325 1.929 0.579 0.514 0.964 0.607 CB 1.271 48 residues pruned to eliminate duplicates Z: 12 17.505 1.819 0.876 0.893 1.000 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 42 26.928 1.878 0.867 0.592 0.927 0.610 CB 1.185 36 residues pruned to eliminate duplicates Z: 10 6.454 1.466 0.637 0.663 0.778 0.444 CB 0.992 10 residues pruned to eliminate duplicates Z: 29 17.172 1.745 0.653 0.553 1.000 0.357 CB 1.069 29 residues pruned to eliminate duplicates Z: 10 7.170 1.455 0.488 0.747 0.889 0.222 CB 0.996 10 residues pruned to eliminate duplicates Z: 20 17.742 1.705 0.790 0.754 0.947 0.474 CB 1.122 20 residues pruned to eliminate duplicates Z: 30 16.670 1.699 0.734 0.572 1.000 0.621 CB 0.980 30 residues pruned to eliminate duplicates Z: 32 15.014 1.655 0.679 0.543 0.935 0.581 CB 0.994 32 residues pruned to eliminate duplicates Z: 25 16.949 1.702 0.739 0.678 0.958 0.708 CB 1.035 24 residues pruned to eliminate duplicates 419 residues left after pruning, divided into chains as follows: A: 134 B: 69 C: 140 D: 14 E: 62 CC for partial structure against native data = 42.26 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.459, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.525, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.625, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.633, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.647, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.651, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.654, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.655, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.656, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2381 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 532 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 23.672 2.081 0.540 0.860 0.929 0.571 CA 1.564 B: 14 26.108 2.265 0.454 0.894 0.923 0.769 CA 1.708 14 residues pruned to eliminate duplicates C: 13 18.673 2.215 0.978 0.918 1.000 0.750 CB 0.867 D: 13 23.499 2.297 0.307 0.903 0.917 0.833 CB 1.757 13 residues pruned to eliminate duplicates E: 12 24.548 2.038 1.128 0.859 0.909 0.636 CB 1.381 F: 15 24.983 2.157 0.974 0.904 1.000 0.857 CB 1.117 14 residues pruned to eliminate duplicates G: 20 28.230 1.858 1.283 0.838 0.895 0.737 CA 1.275 H: 15 20.619 2.119 1.062 0.846 0.929 0.857 CB 1.009 15 residues pruned to eliminate duplicates I: 15 28.452 2.191 0.638 0.912 0.929 0.786 CB 1.617 14 residues pruned to eliminate duplicates J: 15 32.937 2.116 1.095 0.862 1.000 0.786 CA 1.458 18 residues pruned to eliminate duplicates K: 15 31.854 2.177 0.594 0.930 1.000 0.929 CA 1.715 16 residues pruned to eliminate duplicates L: 13 24.549 2.093 0.715 0.888 0.917 0.750 CA 1.552 13 residues pruned to eliminate duplicates M: 16 21.367 1.982 0.729 0.755 0.933 0.733 CB 1.374 N: 15 27.216 2.178 0.680 0.876 0.857 0.643 CB 1.686 15 residues pruned to eliminate duplicates O: 11 22.708 2.143 0.873 0.855 1.000 0.600 CB 1.321 P: 12 25.836 2.266 1.001 0.832 0.909 0.727 CA 1.419 Q: 15 23.470 1.988 0.824 0.890 0.929 0.643 CB 1.340 12 residues pruned to eliminate duplicates R: 15 16.954 1.928 0.443 0.944 0.929 0.857 CB 1.214 S: 12 29.944 2.056 1.096 0.924 1.000 0.727 CA 1.471 11 residues pruned to eliminate duplicates T: 8 20.094 2.048 1.051 0.722 1.000 0.429 CA 1.479 8 residues pruned to eliminate duplicates U: 28 18.168 1.965 0.517 0.486 0.926 0.593 CB 1.285 V: 13 28.353 2.164 1.073 0.891 1.000 0.750 CB 1.313 14 residues pruned to eliminate duplicates W: 15 23.214 2.129 0.441 0.882 0.929 0.857 CA 1.576 15 residues pruned to eliminate duplicates X: 9 27.262 2.170 1.121 0.864 1.000 0.875 CB 1.535 9 residues pruned to eliminate duplicates Y: 15 28.211 2.194 0.597 0.900 0.929 0.714 CA 1.656 15 residues pruned to eliminate duplicates Z: 13 11.991 1.678 0.392 0.889 0.917 0.833 CA 1.164 Z: 13 26.736 1.961 1.002 0.893 1.000 0.667 CA 1.411 13 residues pruned to eliminate duplicates Z: 12 13.797 1.965 0.456 0.796 0.909 0.636 CA 1.234 12 residues pruned to eliminate duplicates Z: 10 16.492 2.208 0.233 0.798 1.000 0.667 CB 1.556 10 residues pruned to eliminate duplicates Z: 65 35.336 2.091 0.818 0.434 0.891 0.547 CB 1.398 Z: 13 10.466 1.652 0.378 0.854 0.917 0.667 CB 1.070 13 residues pruned to eliminate duplicates Z: 9 13.832 1.951 0.284 0.882 1.000 0.875 CB 1.413 9 residues pruned to eliminate duplicates Z: 13 29.785 2.064 1.105 0.862 1.000 0.917 CA 1.453 13 residues pruned to eliminate duplicates Z: 84 56.445 2.173 0.836 0.666 0.952 0.699 CB 1.400 68 residues pruned to eliminate duplicates Z: 15 18.960 2.091 0.823 0.862 1.000 0.571 CB 0.976 15 residues pruned to eliminate duplicates Z: 10 13.128 2.101 0.442 0.879 0.889 0.667 CA 1.178 10 residues pruned to eliminate duplicates Z: 11 20.843 2.028 0.954 0.816 0.900 0.600 CB 1.404 Z: 14 23.120 2.093 0.767 0.820 0.923 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 16 22.864 2.016 0.670 0.829 0.933 0.867 CB 1.413 16 residues pruned to eliminate duplicates Z: 45 39.342 2.194 0.903 0.446 0.932 0.545 CB 1.611 55 residues pruned to eliminate duplicates Z: 12 18.279 1.994 0.777 0.825 1.000 0.636 CA 1.174 12 residues pruned to eliminate duplicates Z: 13 16.885 2.055 0.414 0.866 0.917 0.750 CB 1.339 Z: 12 21.709 1.939 1.136 0.851 1.000 0.818 CB 1.169 11 residues pruned to eliminate duplicates Z: 11 16.263 2.247 0.313 0.868 0.800 0.600 CA 1.592 11 residues pruned to eliminate duplicates Z: 13 25.766 2.002 1.145 0.767 1.000 0.417 CA 1.367 13 residues pruned to eliminate duplicates Z: 13 22.124 1.964 0.865 0.823 1.000 0.583 CA 1.318 11 residues pruned to eliminate duplicates Z: 13 14.927 1.927 0.570 0.764 0.917 0.583 CA 1.229 13 residues pruned to eliminate duplicates Z: 17 34.080 1.983 1.188 0.850 1.000 0.750 CA 1.454 17 residues pruned to eliminate duplicates Z: 13 16.106 1.947 0.514 0.795 0.917 0.583 CA 1.329 12 residues pruned to eliminate duplicates Z: 17 30.693 2.016 1.053 0.847 0.938 0.688 CB 1.468 17 residues pruned to eliminate duplicates Z: 14 23.314 2.191 0.414 0.854 0.923 0.692 CB 1.670 14 residues pruned to eliminate duplicates Z: 11 9.510 1.819 0.785 0.476 0.900 0.700 N 1.054 Z: 11 29.951 2.313 1.071 0.839 1.000 0.400 CA 1.478 11 residues pruned to eliminate duplicates Z: 13 24.981 1.989 1.095 0.872 0.917 0.833 CB 1.376 13 residues pruned to eliminate duplicates Z: 12 22.248 2.064 1.149 0.805 0.909 0.545 CA 1.275 12 residues pruned to eliminate duplicates Z: 12 16.403 1.969 0.426 0.780 0.909 0.545 CB 1.514 Z: 84 51.868 2.064 0.860 0.661 0.928 0.578 CB 1.377 52 residues pruned to eliminate duplicates Z: 13 15.892 1.868 0.425 0.802 1.000 0.750 CA 1.324 12 residues pruned to eliminate duplicates Z: 13 18.545 2.053 0.513 0.831 0.917 0.667 CB 1.412 13 residues pruned to eliminate duplicates Z: 7 7.542 1.664 0.314 0.795 1.000 0.667 N 1.087 7 residues pruned to eliminate duplicates Z: 18 29.392 1.960 1.002 0.867 1.000 0.588 CA 1.328 18 residues pruned to eliminate duplicates Z: 7 12.849 2.115 0.636 0.684 1.000 0.667 CA 1.281 8 residues pruned to eliminate duplicates Z: 10 28.417 2.359 1.121 0.877 0.889 0.556 CA 1.547 10 residues pruned to eliminate duplicates Z: 11 14.189 1.981 0.367 0.861 0.900 0.700 CA 1.352 11 residues pruned to eliminate duplicates Z: 11 15.552 1.853 0.329 0.901 1.000 0.800 CB 1.426 12 residues pruned to eliminate duplicates Z: 9 12.625 2.011 0.383 0.900 1.000 1.000 CB 1.146 9 residues pruned to eliminate duplicates Z: 12 23.088 2.016 0.734 0.901 1.000 0.909 CA 1.422 12 residues pruned to eliminate duplicates Z: 10 16.288 2.056 0.432 0.913 1.000 1.000 CB 1.305 Z: 15 24.943 2.112 0.687 0.874 1.000 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 30 30.953 2.179 0.841 0.447 0.931 0.586 CB 1.625 30 residues pruned to eliminate duplicates Z: 13 15.919 1.807 0.534 0.719 1.000 0.583 CA 1.360 13 residues pruned to eliminate duplicates Z: 82 54.239 2.187 0.882 0.680 0.889 0.679 CB 1.396 84 residues pruned to eliminate duplicates Z: 11 17.321 2.024 0.558 0.812 0.900 0.600 CA 1.470 11 residues pruned to eliminate duplicates Z: 8 14.918 2.093 0.817 0.568 0.857 0.429 CB 1.619 8 residues pruned to eliminate duplicates Z: 11 11.353 1.866 0.115 0.864 0.900 0.800 CB 1.406 11 residues pruned to eliminate duplicates Z: 12 14.256 2.038 0.589 0.778 0.727 0.727 CB 1.428 Z: 11 24.529 2.039 1.353 0.864 0.900 0.700 CB 1.317 11 residues pruned to eliminate duplicates Z: 10 10.553 2.041 0.726 0.806 0.889 0.333 CB 0.860 10 residues pruned to eliminate duplicates Z: 12 28.876 2.040 1.161 0.929 1.000 0.636 CB 1.382 12 residues pruned to eliminate duplicates Z: 67 33.521 2.102 0.776 0.414 0.879 0.530 CB 1.377 67 residues pruned to eliminate duplicates Z: 11 23.856 1.932 1.378 0.790 1.000 0.600 CA 1.273 11 residues pruned to eliminate duplicates Z: 11 16.568 2.142 0.607 0.880 0.800 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 56 37.692 2.141 0.814 0.413 0.909 0.545 CB 1.577 56 residues pruned to eliminate duplicates Z: 12 19.372 1.998 0.576 0.880 1.000 0.818 CA 1.344 13 residues pruned to eliminate duplicates Z: 19 18.622 1.840 0.602 0.827 0.944 0.833 CB 1.188 19 residues pruned to eliminate duplicates Z: 10 15.971 2.224 0.389 0.862 0.889 0.667 CA 1.423 10 residues pruned to eliminate duplicates Z: 8 13.357 1.926 0.816 0.591 0.857 0.571 CB 1.544 8 residues pruned to eliminate duplicates Z: 7 9.487 2.155 0.184 0.811 0.833 0.833 CA 1.390 7 residues pruned to eliminate duplicates Z: 14 17.357 2.033 0.458 0.885 0.923 0.769 CB 1.271 14 residues pruned to eliminate duplicates Z: 8 9.482 1.701 0.652 0.724 0.857 0.286 CB 1.216 8 residues pruned to eliminate duplicates Z: 61 42.549 2.067 0.897 0.536 0.933 0.517 CB 1.449 34 residues pruned to eliminate duplicates Z: 15 19.969 1.844 0.771 0.907 0.929 0.857 CB 1.251 15 residues pruned to eliminate duplicates Z: 8 9.977 2.035 0.284 0.900 1.000 1.000 CB 1.031 8 residues pruned to eliminate duplicates Z: 16 15.111 2.013 0.631 0.851 0.933 0.733 CB 0.942 16 residues pruned to eliminate duplicates Z: 53 34.882 2.136 0.709 0.436 0.923 0.577 CB 1.534 53 residues pruned to eliminate duplicates Z: 13 18.351 2.111 0.565 0.780 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 12 23.315 2.191 0.695 0.843 1.000 0.909 CB 1.410 12 residues pruned to eliminate duplicates Z: 12 23.302 2.193 0.987 0.860 1.000 0.818 CA 1.186 12 residues pruned to eliminate duplicates Z: 7 7.447 1.701 0.312 0.720 0.833 0.833 CB 1.340 7 residues pruned to eliminate duplicates Z: 10 21.556 2.268 0.383 0.888 1.000 0.667 CA 1.650 11 residues pruned to eliminate duplicates Z: 12 19.721 2.012 0.675 0.838 1.000 0.818 CA 1.319 12 residues pruned to eliminate duplicates Z: 8 8.111 1.595 0.520 0.587 1.000 0.571 CA 1.164 8 residues pruned to eliminate duplicates Z: 11 20.009 2.233 0.369 0.827 1.000 0.700 CA 1.559 11 residues pruned to eliminate duplicates Z: 23 17.983 2.004 0.475 0.499 0.909 0.591 CB 1.428 23 residues pruned to eliminate duplicates Z: 9 14.649 2.241 0.222 0.842 0.875 0.750 CA 1.610 9 residues pruned to eliminate duplicates Z: 113 59.843 2.099 0.832 0.609 0.946 0.580 CB 1.401 112 residues pruned to eliminate duplicates Z: 12 17.943 1.991 0.643 0.824 1.000 0.818 CB 1.249 12 residues pruned to eliminate duplicates Z: 47 33.849 2.133 0.754 0.428 0.935 0.457 CB 1.537 47 residues pruned to eliminate duplicates Z: 11 21.703 1.954 1.039 0.858 1.000 0.600 CB 1.269 11 residues pruned to eliminate duplicates Z: 12 21.870 1.965 1.101 0.804 1.000 0.909 CB 1.224 12 residues pruned to eliminate duplicates Z: 11 16.118 2.218 0.374 0.856 0.900 0.600 CA 1.370 11 residues pruned to eliminate duplicates Z: 60 47.228 2.121 0.961 0.530 0.966 0.559 CB 1.486 62 residues pruned to eliminate duplicates Z: 10 12.204 1.820 0.802 0.508 1.000 0.667 CA 1.231 12 residues pruned to eliminate duplicates Z: 10 14.273 1.940 0.444 0.848 0.889 0.889 CB 1.417 9 residues pruned to eliminate duplicates Z: 6 3.093 1.880 -0.337 0.546 0.800 0.200 CA 1.326 6 residues pruned to eliminate duplicates Z: 13 28.855 2.168 0.854 0.846 1.000 0.667 CB 1.540 13 residues pruned to eliminate duplicates Z: 10 15.888 2.036 0.763 0.911 0.778 0.778 CB 1.345 10 residues pruned to eliminate duplicates Z: 13 14.715 1.885 0.350 0.818 0.917 0.583 CA 1.382 13 residues pruned to eliminate duplicates Z: 27 17.313 1.895 0.633 0.428 0.846 0.615 CB 1.396 20 residues pruned to eliminate duplicates Z: 12 17.812 2.140 0.543 0.835 0.818 0.455 CB 1.489 12 residues pruned to eliminate duplicates Z: 6 6.198 1.386 0.822 0.851 0.800 0.800 CA 1.015 6 residues pruned to eliminate duplicates Z: 8 9.052 2.048 0.961 0.443 0.714 0.429 CA 1.265 7 residues pruned to eliminate duplicates Z: 13 13.767 1.894 0.346 0.817 1.000 0.833 CA 1.184 13 residues pruned to eliminate duplicates Z: 12 25.843 1.946 1.369 0.882 1.000 0.727 CB 1.223 12 residues pruned to eliminate duplicates Z: 8 11.004 2.187 0.280 0.826 0.857 0.714 CB 1.307 8 residues pruned to eliminate duplicates Z: 14 18.720 1.973 0.516 0.816 1.000 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 21 23.396 2.169 0.942 0.603 0.850 0.550 CB 1.325 21 residues pruned to eliminate duplicates Z: 29 25.776 2.060 0.876 0.528 0.929 0.643 CB 1.320 29 residues pruned to eliminate duplicates Z: 13 15.171 1.954 0.470 0.866 1.000 0.917 CA 1.116 13 residues pruned to eliminate duplicates Z: 50 31.801 2.060 0.907 0.401 0.857 0.429 CB 1.497 50 residues pruned to eliminate duplicates Z: 67 33.983 1.960 0.774 0.452 0.879 0.500 CB 1.438 67 residues pruned to eliminate duplicates Z: 13 28.009 2.290 0.530 0.905 0.917 0.750 CA 1.791 13 residues pruned to eliminate duplicates Z: 60 40.409 2.088 0.828 0.520 0.932 0.576 CB 1.450 60 residues pruned to eliminate duplicates Z: 15 27.691 2.026 0.904 0.822 1.000 0.571 CB 1.451 15 residues pruned to eliminate duplicates Z: 62 36.295 2.038 0.852 0.492 0.852 0.459 CB 1.455 62 residues pruned to eliminate duplicates Z: 14 30.642 2.257 0.851 0.887 0.846 0.385 CA 1.733 14 residues pruned to eliminate duplicates Z: 11 17.003 2.049 0.404 0.831 1.000 0.700 CA 1.404 11 residues pruned to eliminate duplicates Z: 23 13.957 1.798 0.709 0.504 0.818 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 6 4.602 1.411 0.343 0.741 0.800 0.800 CB 1.094 Z: 60 40.498 2.166 0.764 0.469 0.915 0.610 CB 1.556 60 residues pruned to eliminate duplicates Z: 11 11.294 1.839 0.707 0.860 0.900 0.700 CB 0.929 11 residues pruned to eliminate duplicates Z: 8 10.051 2.075 0.110 0.840 0.857 0.571 CB 1.436 8 residues pruned to eliminate duplicates Z: 10 12.202 1.823 0.612 0.825 0.889 0.778 CB 1.176 Z: 31 25.918 1.997 0.841 0.550 0.867 0.567 CB 1.414 31 residues pruned to eliminate duplicates Z: 11 17.344 2.083 0.821 0.834 0.900 0.700 CA 1.204 11 residues pruned to eliminate duplicates Z: 35 26.209 2.061 0.679 0.572 0.882 0.676 CB 1.373 58 residues pruned to eliminate duplicates Z: 54 43.762 2.124 0.806 0.663 0.925 0.660 CB 1.458 54 residues pruned to eliminate duplicates Z: 9 10.328 2.133 0.220 0.879 0.875 0.750 CB 1.163 9 residues pruned to eliminate duplicates Z: 11 13.172 1.968 0.626 0.787 0.800 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 17 23.276 1.942 0.852 0.820 1.000 0.812 CB 1.226 17 residues pruned to eliminate duplicates Z: 14 19.834 1.852 0.707 0.903 1.000 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 14 22.824 1.861 0.984 0.920 1.000 1.000 CA 1.208 14 residues pruned to eliminate duplicates Z: 10 19.458 1.863 0.993 0.879 1.000 1.000 CA 1.267 9 residues pruned to eliminate duplicates Z: 10 9.291 1.894 0.076 0.858 0.889 0.889 CB 1.259 10 residues pruned to eliminate duplicates Z: 12 15.281 1.773 0.679 0.874 0.909 0.818 CB 1.239 12 residues pruned to eliminate duplicates Z: 16 29.781 1.995 1.092 0.863 0.933 0.733 CA 1.448 16 residues pruned to eliminate duplicates Z: 12 16.624 1.767 0.728 0.892 1.000 1.000 CB 1.179 12 residues pruned to eliminate duplicates Z: 14 19.337 2.031 0.782 0.935 0.923 0.692 CB 1.119 14 residues pruned to eliminate duplicates Z: 35 24.839 2.055 0.724 0.424 0.941 0.559 CB 1.383 33 residues pruned to eliminate duplicates Z: 15 18.286 1.814 0.540 0.926 1.000 0.857 CB 1.228 15 residues pruned to eliminate duplicates Z: 13 15.717 1.828 0.609 0.794 0.833 0.500 CA 1.431 13 residues pruned to eliminate duplicates Z: 68 34.012 1.997 0.789 0.430 0.910 0.507 CB 1.373 74 residues pruned to eliminate duplicates Z: 13 21.669 2.093 0.644 0.846 1.000 0.583 CB 1.350 12 residues pruned to eliminate duplicates Z: 10 13.419 2.020 0.087 0.915 1.000 0.889 CB 1.439 Z: 13 14.285 1.816 0.508 0.850 0.833 0.417 CA 1.339 13 residues pruned to eliminate duplicates Z: 9 11.468 2.019 0.810 0.557 0.875 0.750 CB 1.200 11 residues pruned to eliminate duplicates Z: 15 28.695 2.114 0.647 0.873 1.000 0.714 CA 1.604 15 residues pruned to eliminate duplicates Z: 11 13.331 1.918 0.330 0.912 1.000 0.900 CB 1.171 10 residues pruned to eliminate duplicates Z: 12 14.097 1.986 0.492 0.803 0.909 0.636 CA 1.211 12 residues pruned to eliminate duplicates Z: 12 17.189 2.008 0.771 0.504 0.909 0.545 CB 1.597 12 residues pruned to eliminate duplicates Z: 35 24.907 2.016 0.759 0.412 0.912 0.559 CB 1.449 35 residues pruned to eliminate duplicates Z: 17 30.443 1.956 1.108 0.874 0.938 0.625 CB 1.433 17 residues pruned to eliminate duplicates Z: 54 33.824 2.150 0.675 0.427 0.943 0.566 CB 1.476 54 residues pruned to eliminate duplicates Z: 16 27.821 2.065 0.970 0.855 0.933 0.733 CA 1.396 16 residues pruned to eliminate duplicates Z: 9 13.931 1.900 0.844 0.503 1.000 0.750 CB 1.401 8 residues pruned to eliminate duplicates Z: 6 7.211 1.630 1.073 0.380 0.800 0.400 N 1.355 Z: 21 14.731 1.883 0.561 0.379 0.850 0.350 CB 1.499 21 residues pruned to eliminate duplicates Z: 61 42.527 2.066 0.864 0.532 0.933 0.583 CB 1.480 61 residues pruned to eliminate duplicates Z: 8 17.801 1.972 0.962 0.708 1.000 0.714 CA 1.439 8 residues pruned to eliminate duplicates Z: 18 17.121 2.049 0.425 0.536 0.882 0.647 CB 1.556 20 residues pruned to eliminate duplicates Z: 16 20.799 1.976 0.499 0.849 0.867 0.467 CA 1.550 16 residues pruned to eliminate duplicates Z: 11 20.334 1.943 0.771 0.923 1.000 0.900 CB 1.314 12 residues pruned to eliminate duplicates Z: 83 46.718 2.084 0.716 0.651 0.915 0.634 CB 1.371 83 residues pruned to eliminate duplicates Z: 13 19.503 1.771 0.956 0.850 0.917 0.667 CA 1.313 13 residues pruned to eliminate duplicates Z: 16 34.444 2.070 1.091 0.862 1.000 0.667 CA 1.509 16 residues pruned to eliminate duplicates Z: 61 39.882 2.007 0.911 0.468 0.950 0.517 CB 1.460 61 residues pruned to eliminate duplicates Z: 13 17.845 2.039 0.594 0.914 1.000 0.833 CB 1.121 13 residues pruned to eliminate duplicates Z: 9 22.736 2.306 0.419 0.914 1.000 0.750 CB 1.738 9 residues pruned to eliminate duplicates Z: 16 10.110 1.794 0.716 0.264 0.933 0.400 CA 1.189 16 residues pruned to eliminate duplicates Z: 10 13.411 2.209 0.425 0.877 0.778 0.778 CA 1.326 10 residues pruned to eliminate duplicates Z: 6 4.382 1.607 0.256 0.613 0.800 0.600 O 1.091 6 residues pruned to eliminate duplicates Z: 13 20.516 2.146 0.761 0.917 0.917 0.500 CB 1.207 13 residues pruned to eliminate duplicates Z: 10 14.142 2.056 0.769 0.486 0.889 0.444 CA 1.479 10 residues pruned to eliminate duplicates Z: 61 41.791 2.078 0.955 0.533 0.900 0.500 CB 1.428 61 residues pruned to eliminate duplicates Z: 15 15.632 2.034 0.843 0.878 1.000 0.786 CB 0.809 15 residues pruned to eliminate duplicates Z: 11 11.579 1.892 0.288 0.520 0.900 0.700 CA 1.638 11 residues pruned to eliminate duplicates Z: 139 62.922 2.135 0.830 0.547 0.920 0.558 CB 1.422 139 residues pruned to eliminate duplicates Z: 11 10.361 1.709 0.453 0.723 0.900 0.700 CB 1.199 11 residues pruned to eliminate duplicates Z: 27 22.233 1.928 0.740 0.514 0.923 0.654 CB 1.389 27 residues pruned to eliminate duplicates Z: 11 29.881 2.276 0.701 0.927 1.000 0.800 CA 1.711 11 residues pruned to eliminate duplicates Z: 11 11.061 1.894 0.472 0.448 0.900 0.600 CB 1.470 11 residues pruned to eliminate duplicates Z: 9 7.265 1.739 0.488 0.795 0.750 0.625 CB 1.022 9 residues pruned to eliminate duplicates Z: 7 7.476 1.844 0.989 0.446 0.833 0.833 CB 1.056 7 residues pruned to eliminate duplicates Z: 10 21.344 2.240 0.665 0.922 1.000 1.000 CA 1.342 10 residues pruned to eliminate duplicates Z: 13 18.187 2.070 0.726 0.844 0.917 0.750 CA 1.193 13 residues pruned to eliminate duplicates Z: 18 25.963 1.937 0.903 0.872 0.941 0.824 CA 1.323 18 residues pruned to eliminate duplicates Z: 37 28.973 2.143 0.888 0.670 0.917 0.667 CB 1.113 37 residues pruned to eliminate duplicates Z: 8 12.594 2.007 0.515 0.762 0.857 0.571 CA 1.447 8 residues pruned to eliminate duplicates Z: 15 19.735 1.988 0.670 0.785 0.929 0.571 CB 1.332 15 residues pruned to eliminate duplicates Z: 12 14.141 1.776 0.486 0.786 1.000 0.545 CB 1.256 12 residues pruned to eliminate duplicates Z: 35 29.880 2.075 0.782 0.425 1.000 0.559 CB 1.499 35 residues pruned to eliminate duplicates Z: 17 21.696 1.926 0.880 0.826 0.938 0.688 CB 1.205 17 residues pruned to eliminate duplicates Z: 10 9.806 1.866 0.566 0.662 0.889 0.778 CB 1.083 10 residues pruned to eliminate duplicates Z: 11 17.040 1.928 0.525 0.928 1.000 0.900 CB 1.283 11 residues pruned to eliminate duplicates Z: 12 16.221 1.881 0.720 0.860 0.818 0.545 CA 1.358 12 residues pruned to eliminate duplicates Z: 15 19.460 1.870 0.793 0.802 1.000 0.571 CB 1.192 15 residues pruned to eliminate duplicates Z: 10 27.439 2.172 1.113 0.799 1.000 0.444 CA 1.534 10 residues pruned to eliminate duplicates Z: 11 14.497 2.049 0.416 0.728 0.900 0.500 CA 1.429 11 residues pruned to eliminate duplicates Z: 112 60.813 2.115 0.841 0.590 0.964 0.559 CB 1.411 112 residues pruned to eliminate duplicates Z: 13 15.335 1.828 0.706 0.811 1.000 0.500 CB 1.083 13 residues pruned to eliminate duplicates Z: 11 16.700 2.099 0.520 0.876 1.000 0.500 CB 1.203 11 residues pruned to eliminate duplicates Z: 38 31.726 2.039 0.834 0.581 0.946 0.514 CB 1.364 38 residues pruned to eliminate duplicates Z: 58 43.969 2.169 0.812 0.643 0.947 0.702 CB 1.369 58 residues pruned to eliminate duplicates Z: 56 34.814 2.124 0.771 0.365 0.927 0.455 CB 1.556 56 residues pruned to eliminate duplicates Z: 17 19.084 1.823 0.633 0.815 0.875 0.750 CB 1.393 17 residues pruned to eliminate duplicates Z: 48 33.361 2.063 0.806 0.728 0.872 0.617 CB 1.219 48 residues pruned to eliminate duplicates Z: 15 26.538 2.104 0.961 0.868 0.857 0.571 CB 1.466 15 residues pruned to eliminate duplicates Z: 19 18.319 1.890 0.600 0.636 0.944 0.611 CB 1.331 13 residues pruned to eliminate duplicates Z: 12 12.763 1.873 0.267 0.843 0.909 0.818 CA 1.328 12 residues pruned to eliminate duplicates Z: 7 6.217 1.557 0.399 0.783 1.000 0.667 N 0.908 7 residues pruned to eliminate duplicates Z: 8 6.452 1.803 0.917 0.504 0.714 0.571 CB 0.984 8 residues pruned to eliminate duplicates Z: 7 10.942 1.999 0.446 0.730 1.000 0.667 CA 1.256 Z: 6 6.384 1.731 0.546 0.673 0.800 0.600 CB 1.137 6 residues pruned to eliminate duplicates Z: 16 11.530 1.785 0.521 0.748 0.800 0.733 CB 1.099 16 residues pruned to eliminate duplicates Z: 13 24.616 2.243 1.040 0.924 1.000 0.917 CB 1.090 13 residues pruned to eliminate duplicates Z: 21 23.062 2.197 0.872 0.474 0.900 0.550 CB 1.430 21 residues pruned to eliminate duplicates Z: 57 33.783 2.114 0.810 0.386 0.857 0.482 CB 1.554 57 residues pruned to eliminate duplicates Z: 11 13.159 2.025 0.152 0.838 0.900 0.600 CB 1.481 11 residues pruned to eliminate duplicates Z: 7 16.529 2.124 0.902 0.735 1.000 1.000 CA 1.352 7 residues pruned to eliminate duplicates Z: 13 16.796 1.706 0.794 0.897 1.000 1.000 CB 1.134 12 residues pruned to eliminate duplicates Z: 13 13.613 1.894 0.744 0.641 1.000 0.667 CB 1.043 13 residues pruned to eliminate duplicates Z: 50 40.131 2.225 0.788 0.437 0.959 0.592 CB 1.603 43 residues pruned to eliminate duplicates Z: 20 24.698 2.146 0.629 0.632 0.947 0.684 CB 1.511 20 residues pruned to eliminate duplicates Z: 15 24.893 2.024 0.859 0.874 1.000 0.857 CB 1.287 15 residues pruned to eliminate duplicates Z: 68 48.723 2.187 0.780 0.680 0.896 0.642 CB 1.447 68 residues pruned to eliminate duplicates Z: 17 30.180 1.995 0.962 0.837 1.000 0.625 CA 1.442 17 residues pruned to eliminate duplicates Z: 25 22.600 2.161 0.909 0.463 0.875 0.417 CA 1.327 25 residues pruned to eliminate duplicates Z: 14 15.293 1.733 0.539 0.895 0.923 0.846 CB 1.235 14 residues pruned to eliminate duplicates Z: 47 33.105 2.079 0.786 0.650 0.913 0.522 CB 1.252 47 residues pruned to eliminate duplicates Z: 13 21.901 2.139 0.859 0.819 0.917 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 10 24.657 2.097 1.477 0.877 0.889 0.556 CB 1.292 10 residues pruned to eliminate duplicates Z: 7 18.557 2.089 0.763 0.756 1.000 0.667 CA 1.638 6 residues pruned to eliminate duplicates Z: 17 15.639 2.019 0.501 0.507 0.875 0.625 CB 1.465 17 residues pruned to eliminate duplicates Z: 50 26.360 2.040 0.651 0.667 0.918 0.633 CB 1.043 50 residues pruned to eliminate duplicates Z: 12 15.971 2.104 0.441 0.822 0.818 0.545 CB 1.469 12 residues pruned to eliminate duplicates Z: 11 19.129 1.859 0.745 0.927 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 35 17.005 1.921 0.588 0.587 0.824 0.500 CB 1.068 35 residues pruned to eliminate duplicates Z: 6 10.790 2.222 0.830 0.585 0.800 0.600 CB 1.368 6 residues pruned to eliminate duplicates Z: 37 20.689 1.888 0.540 0.497 0.861 0.472 CB 1.381 28 residues pruned to eliminate duplicates Z: 8 15.897 1.977 0.882 0.730 0.857 0.857 CA 1.532 8 residues pruned to eliminate duplicates 6 1.474 1.366 -0.164 0.445 0.600 0.400 CB 1.019 ? Z: 14 23.031 1.754 0.875 0.891 1.000 0.615 CB 1.397 14 residues pruned to eliminate duplicates Z: 8 11.313 1.773 0.458 0.841 0.857 0.571 CB 1.438 8 residues pruned to eliminate duplicates Z: 26 26.694 2.140 0.796 0.412 0.920 0.520 CB 1.656 27 residues pruned to eliminate duplicates Z: 13 13.045 1.774 0.543 0.837 0.917 0.417 CB 1.123 13 residues pruned to eliminate duplicates Z: 112 54.346 2.059 0.828 0.555 0.919 0.486 CB 1.413 112 residues pruned to eliminate duplicates Z: 15 12.716 2.013 0.373 0.709 0.929 0.643 CB 1.096 15 residues pruned to eliminate duplicates Z: 6 8.887 1.904 0.656 0.707 0.800 0.600 CB 1.305 Z: 22 14.707 1.898 0.554 0.353 0.905 0.381 CB 1.410 22 residues pruned to eliminate duplicates Z: 12 11.046 1.783 0.091 0.886 1.000 0.909 CB 1.235 12 residues pruned to eliminate duplicates Z: 6 2.174 1.450 0.560 0.442 0.600 0.400 CA 0.761 Z: 26 21.016 2.030 0.456 0.506 0.960 0.640 CB 1.473 29 residues pruned to eliminate duplicates Z: 11 17.367 1.850 0.875 0.832 0.900 0.500 CA 1.320 11 residues pruned to eliminate duplicates Z: 19 13.520 1.895 0.521 0.421 0.833 0.389 CA 1.441 19 residues pruned to eliminate duplicates Z: 7 4.821 1.691 0.628 0.519 1.000 0.833 CB 0.702 Z: 58 34.650 2.137 0.736 0.394 0.912 0.561 CB 1.517 58 residues pruned to eliminate duplicates Z: 17 31.965 2.038 1.100 0.869 0.938 0.688 CA 1.455 17 residues pruned to eliminate duplicates Z: 37 24.544 2.025 0.790 0.409 0.861 0.500 CB 1.443 37 residues pruned to eliminate duplicates Z: 16 9.422 1.972 0.218 0.337 0.867 0.467 CB 1.396 16 residues pruned to eliminate duplicates Z: 6 6.405 2.062 0.548 0.672 0.600 0.200 CA 1.276 6 residues pruned to eliminate duplicates Z: 8 3.395 1.596 0.050 0.506 0.714 0.714 CB 1.065 Z: 15 31.446 2.139 0.760 0.860 1.000 0.500 CB 1.641 15 residues pruned to eliminate duplicates Z: 13 21.685 1.989 1.041 0.819 0.917 0.833 CA 1.275 13 residues pruned to eliminate duplicates Z: 20 17.254 2.007 0.587 0.552 0.895 0.579 CB 1.321 20 residues pruned to eliminate duplicates Z: 55 38.129 2.114 0.780 0.686 0.926 0.648 CB 1.256 55 residues pruned to eliminate duplicates Z: 10 15.017 1.892 0.876 0.889 0.889 0.444 CB 1.143 10 residues pruned to eliminate duplicates Z: 46 32.930 2.080 0.818 0.713 0.911 0.622 CB 1.175 46 residues pruned to eliminate duplicates Z: 12 18.725 1.940 0.799 0.865 1.000 0.818 CB 1.185 12 residues pruned to eliminate duplicates Z: 32 29.507 2.164 0.938 0.396 0.903 0.548 CB 1.561 32 residues pruned to eliminate duplicates Z: 11 16.617 2.117 0.221 0.870 1.000 0.700 CA 1.484 11 residues pruned to eliminate duplicates Z: 18 9.686 1.797 0.196 0.522 0.824 0.647 CB 1.298 18 residues pruned to eliminate duplicates Z: 24 24.309 2.083 0.892 0.352 1.000 0.478 CA 1.510 24 residues pruned to eliminate duplicates Z: 13 10.770 1.972 0.600 0.330 0.833 0.500 CA 1.425 12 residues pruned to eliminate duplicates Z: 16 13.034 1.959 0.488 0.693 0.867 0.667 CB 1.117 16 residues pruned to eliminate duplicates Z: 13 16.185 1.855 0.612 0.529 1.000 0.750 CB 1.518 13 residues pruned to eliminate duplicates Z: 25 18.613 2.089 0.522 0.443 0.833 0.458 CA 1.520 25 residues pruned to eliminate duplicates Z: 16 8.870 1.837 0.866 0.296 0.667 0.333 CB 1.260 16 residues pruned to eliminate duplicates Z: 36 19.433 1.828 0.464 0.581 0.914 0.686 CB 1.242 33 residues pruned to eliminate duplicates Z: 14 21.736 2.169 1.120 0.916 0.923 0.923 CB 1.003 14 residues pruned to eliminate duplicates Z: 27 23.896 2.145 1.021 0.417 0.846 0.500 CB 1.394 27 residues pruned to eliminate duplicates Z: 12 9.580 1.818 0.129 0.811 0.909 0.909 CB 1.181 12 residues pruned to eliminate duplicates Z: 13 21.288 2.045 0.620 0.859 1.000 0.750 CB 1.364 13 residues pruned to eliminate duplicates Z: 18 23.022 1.926 0.809 0.848 1.000 0.706 CB 1.189 18 residues pruned to eliminate duplicates Z: 13 15.551 1.785 0.668 0.860 1.000 0.833 CB 1.109 13 residues pruned to eliminate duplicates Z: 11 17.115 1.910 0.841 0.824 0.900 0.300 CA 1.292 11 residues pruned to eliminate duplicates Z: 37 32.108 2.122 0.917 0.451 0.917 0.528 CB 1.510 37 residues pruned to eliminate duplicates Z: 8 6.702 1.713 0.587 0.707 0.714 0.571 CB 1.080 8 residues pruned to eliminate duplicates Z: 63 40.898 2.142 0.724 0.675 0.919 0.581 CB 1.301 63 residues pruned to eliminate duplicates Z: 7 6.170 1.765 0.339 0.764 1.000 0.833 CA 0.843 7 residues pruned to eliminate duplicates Z: 21 16.989 2.065 0.555 0.564 0.850 0.650 CB 1.308 21 residues pruned to eliminate duplicates Z: 12 10.201 1.899 0.645 0.607 0.727 0.545 CB 1.224 12 residues pruned to eliminate duplicates Z: 50 41.583 2.111 0.960 0.468 0.959 0.592 CB 1.546 50 residues pruned to eliminate duplicates Z: 65 35.828 2.105 0.652 0.494 0.891 0.625 CB 1.454 65 residues pruned to eliminate duplicates Z: 8 4.587 1.629 0.169 0.300 1.000 0.571 N 1.138 Z: 75 33.094 2.039 0.701 0.416 0.878 0.554 CB 1.379 75 residues pruned to eliminate duplicates Z: 25 23.676 2.020 0.596 0.580 0.958 0.708 CB 1.448 25 residues pruned to eliminate duplicates Z: 6 3.100 1.304 0.343 0.294 1.000 0.600 CB 0.997 Z: 12 17.280 1.913 0.501 0.865 1.000 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 12 15.394 1.939 0.359 0.853 1.000 0.727 CA 1.301 12 residues pruned to eliminate duplicates Z: 18 14.148 1.814 0.627 0.494 0.941 0.647 CB 1.243 18 residues pruned to eliminate duplicates Z: 38 32.695 2.144 0.855 0.450 0.946 0.568 CB 1.504 38 residues pruned to eliminate duplicates Z: 35 18.870 1.897 0.464 0.556 0.824 0.588 CB 1.340 35 residues pruned to eliminate duplicates Z: 71 43.884 2.188 0.741 0.639 0.871 0.557 CB 1.388 71 residues pruned to eliminate duplicates Z: 13 27.439 2.224 0.721 0.896 1.000 0.833 CB 1.482 13 residues pruned to eliminate duplicates Z: 22 23.901 1.992 0.960 0.588 0.905 0.571 CA 1.357 22 residues pruned to eliminate duplicates Z: 6 5.304 1.839 0.379 0.459 0.800 0.600 CB 1.219 6 residues pruned to eliminate duplicates Z: 16 14.878 1.942 0.456 0.792 0.933 0.733 CB 1.126 16 residues pruned to eliminate duplicates Z: 10 16.364 1.863 0.795 0.834 1.000 0.667 CB 1.223 10 residues pruned to eliminate duplicates Z: 26 19.002 2.089 0.521 0.603 0.840 0.720 CB 1.291 26 residues pruned to eliminate duplicates Z: 50 40.484 2.166 0.962 0.432 0.918 0.653 CB 1.591 50 residues pruned to eliminate duplicates Z: 8 5.764 1.725 0.225 0.576 0.857 0.571 CB 1.118 7 residues pruned to eliminate duplicates Z: 30 31.149 2.069 0.997 0.422 1.000 0.517 CB 1.518 30 residues pruned to eliminate duplicates Z: 8 6.822 1.509 0.714 0.562 0.857 0.571 CB 1.096 Z: 13 15.663 1.850 0.411 0.877 1.000 0.833 CA 1.258 13 residues pruned to eliminate duplicates Z: 15 12.718 1.669 0.426 0.849 1.000 0.714 CA 1.058 15 residues pruned to eliminate duplicates Z: 11 15.881 1.909 0.581 0.911 1.000 0.800 CB 1.179 11 residues pruned to eliminate duplicates Z: 19 27.448 2.142 0.744 0.643 1.000 0.778 CA 1.515 19 residues pruned to eliminate duplicates Z: 14 18.862 2.032 0.566 0.918 0.923 0.846 CB 1.256 14 residues pruned to eliminate duplicates Z: 6 2.526 1.591 0.324 0.285 0.800 0.400 CB 0.855 6 residues pruned to eliminate duplicates Z: 57 36.120 2.046 0.884 0.653 0.929 0.696 CB 1.170 57 residues pruned to eliminate duplicates Z: 14 13.930 2.045 0.563 0.771 0.923 0.846 CB 1.030 14 residues pruned to eliminate duplicates Z: 11 10.066 1.692 0.789 0.516 0.900 0.500 CA 1.150 11 residues pruned to eliminate duplicates Z: 25 26.887 2.148 0.942 0.508 0.875 0.583 CA 1.491 25 residues pruned to eliminate duplicates Z: 20 21.643 1.989 0.850 0.542 0.947 0.579 CB 1.366 20 residues pruned to eliminate duplicates Z: 9 3.500 1.430 -0.061 0.614 0.875 0.625 CB 0.945 8 residues pruned to eliminate duplicates Z: 7 2.824 1.353 0.648 0.414 0.667 0.500 CA 0.849 Z: 16 16.785 1.861 1.011 0.638 0.867 0.800 CA 1.174 16 residues pruned to eliminate duplicates Z: 10 13.416 1.814 0.981 0.643 0.889 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 7 6.417 1.690 0.011 0.622 1.000 0.667 C 1.366 Z: 35 33.278 2.158 0.837 0.466 0.941 0.588 CB 1.584 35 residues pruned to eliminate duplicates Z: 56 29.173 2.025 0.690 0.373 0.891 0.436 CB 1.477 56 residues pruned to eliminate duplicates Z: 18 18.575 1.864 0.707 0.806 0.882 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 21 15.533 1.851 0.774 0.568 0.850 0.450 CB 1.165 21 residues pruned to eliminate duplicates Z: 19 23.723 2.084 0.769 0.645 0.889 0.667 CB 1.490 19 residues pruned to eliminate duplicates Z: 60 41.343 2.115 0.850 0.517 0.932 0.559 CB 1.450 60 residues pruned to eliminate duplicates Z: 23 24.277 2.062 0.964 0.621 0.909 0.636 CB 1.254 23 residues pruned to eliminate duplicates Z: 7 7.252 1.725 0.551 0.328 1.000 0.500 CA 1.337 7 residues pruned to eliminate duplicates Z: 6 3.476 1.304 0.883 0.299 0.800 0.400 CA 0.990 Z: 10 12.236 1.996 0.453 0.824 0.889 0.778 CB 1.195 10 residues pruned to eliminate duplicates Z: 14 24.402 2.103 1.141 0.816 0.923 0.615 CB 1.237 14 residues pruned to eliminate duplicates Z: 12 20.390 1.870 0.661 0.907 1.000 0.909 CB 1.406 12 residues pruned to eliminate duplicates Z: 12 18.862 2.152 0.605 0.811 1.000 0.727 CA 1.255 12 residues pruned to eliminate duplicates Z: 43 22.688 1.953 0.512 0.539 0.857 0.548 CB 1.331 42 residues pruned to eliminate duplicates Z: 66 40.931 2.059 0.833 0.513 0.908 0.600 CB 1.462 66 residues pruned to eliminate duplicates Z: 11 17.229 1.806 0.636 0.873 1.000 0.900 CA 1.344 11 residues pruned to eliminate duplicates Z: 9 4.919 1.443 0.170 0.858 0.875 0.625 CB 0.867 Z: 10 12.091 1.773 0.557 0.868 1.000 0.778 CA 1.067 10 residues pruned to eliminate duplicates Z: 37 24.182 1.884 0.644 0.577 0.889 0.722 CB 1.359 37 residues pruned to eliminate duplicates Z: 6 4.237 1.305 0.606 0.760 0.800 0.600 CA 0.897 Z: 11 15.293 1.983 0.765 0.742 0.900 0.700 CA 1.236 11 residues pruned to eliminate duplicates Z: 6 7.706 1.661 0.243 0.735 1.000 0.800 CA 1.352 6 residues pruned to eliminate duplicates Z: 33 25.579 1.982 0.630 0.597 0.938 0.719 CB 1.361 33 residues pruned to eliminate duplicates Z: 16 12.167 1.696 0.643 0.721 0.800 0.733 CA 1.154 16 residues pruned to eliminate duplicates Z: 37 23.409 2.049 0.726 0.319 0.917 0.556 CB 1.469 37 residues pruned to eliminate duplicates Z: 38 30.943 2.105 0.671 0.558 0.946 0.649 CB 1.445 38 residues pruned to eliminate duplicates Z: 8 7.828 1.555 0.310 0.878 1.000 0.857 CB 1.054 9 residues pruned to eliminate duplicates Z: 14 17.843 1.682 0.784 0.920 0.923 0.846 CB 1.258 13 residues pruned to eliminate duplicates Z: 75 51.391 2.176 0.801 0.684 0.919 0.608 CB 1.401 75 residues pruned to eliminate duplicates Z: 11 12.660 1.715 0.642 0.834 0.900 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 15 15.070 1.746 0.404 0.817 1.000 0.857 CB 1.247 15 residues pruned to eliminate duplicates Z: 6 4.155 1.568 0.137 0.675 0.800 0.600 CA 1.109 6 residues pruned to eliminate duplicates Z: 10 14.638 2.094 0.572 0.844 0.778 0.667 CB 1.419 10 residues pruned to eliminate duplicates Z: 18 31.523 2.083 0.960 0.727 0.941 0.353 CB 1.623 18 residues pruned to eliminate duplicates Z: 12 16.867 1.802 0.832 0.878 0.909 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 13 19.488 2.135 0.392 0.853 0.917 0.833 CB 1.526 13 residues pruned to eliminate duplicates Z: 14 15.122 1.666 0.575 0.880 1.000 0.846 CB 1.158 14 residues pruned to eliminate duplicates Z: 8 5.440 1.861 -0.059 0.534 0.857 0.429 CB 1.325 Z: 12 12.623 1.788 0.757 0.818 0.909 0.818 CB 1.011 12 residues pruned to eliminate duplicates Z: 12 17.894 2.142 0.314 0.795 1.000 0.636 CA 1.481 12 residues pruned to eliminate duplicates Z: 9 7.791 1.766 0.417 0.478 1.000 0.625 CA 1.125 9 residues pruned to eliminate duplicates Z: 9 12.983 1.802 0.645 0.630 0.875 0.625 N 1.566 9 residues pruned to eliminate duplicates Z: 12 14.732 1.928 0.441 0.777 0.909 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 15 8.891 1.975 0.262 0.823 0.857 0.643 CB 0.840 15 residues pruned to eliminate duplicates Z: 11 9.319 1.851 0.589 0.424 0.800 0.500 CB 1.356 11 residues pruned to eliminate duplicates Z: 10 16.345 1.886 0.581 0.836 1.000 0.778 CA 1.367 10 residues pruned to eliminate duplicates Z: 15 17.918 1.903 0.653 0.611 1.000 0.643 CA 1.371 15 residues pruned to eliminate duplicates Z: 14 16.985 1.960 0.942 0.655 0.923 0.692 CA 1.161 13 residues pruned to eliminate duplicates Z: 14 26.451 2.061 0.853 0.819 0.923 0.769 CB 1.577 14 residues pruned to eliminate duplicates Z: 7 3.038 1.503 0.154 0.354 0.833 0.667 C 1.005 Z: 12 15.756 1.773 0.513 0.907 1.000 1.000 CB 1.259 12 residues pruned to eliminate duplicates Z: 13 21.255 2.105 0.804 0.920 0.917 0.750 CB 1.241 13 residues pruned to eliminate duplicates Z: 17 28.022 1.981 0.834 0.857 1.000 0.500 CB 1.421 17 residues pruned to eliminate duplicates Z: 35 31.154 2.077 0.876 0.666 0.912 0.735 CB 1.290 35 residues pruned to eliminate duplicates Z: 47 33.876 2.062 0.854 0.675 0.913 0.609 CB 1.218 47 residues pruned to eliminate duplicates Z: 13 12.669 1.624 0.677 0.858 0.917 0.667 CB 1.079 13 residues pruned to eliminate duplicates Z: 10 2.072 1.221 0.186 0.200 0.889 0.333 CB 0.766 Z: 8 6.246 1.851 0.459 0.328 0.714 0.429 CA 1.478 8 residues pruned to eliminate duplicates Z: 13 17.709 1.721 0.968 0.906 1.000 0.583 CB 1.074 13 residues pruned to eliminate duplicates Z: 11 13.751 1.835 0.646 0.930 1.000 0.900 CB 1.007 11 residues pruned to eliminate duplicates Z: 16 6.308 1.719 0.294 0.321 0.867 0.600 CB 1.029 13 residues pruned to eliminate duplicates Z: 14 5.449 1.845 0.355 0.386 0.615 0.385 CB 1.108 22 residues pruned to eliminate duplicates Z: 10 7.664 1.446 0.540 0.899 0.889 0.889 CB 0.922 8 residues pruned to eliminate duplicates Z: 45 29.321 1.965 0.779 0.585 0.932 0.591 CB 1.251 45 residues pruned to eliminate duplicates Z: 61 38.463 2.105 0.753 0.632 0.900 0.633 CB 1.322 61 residues pruned to eliminate duplicates Z: 10 21.925 1.974 0.936 0.918 1.000 0.333 CB 1.349 10 residues pruned to eliminate duplicates Z: 6 2.904 1.098 0.825 0.337 1.000 0.400 CB 0.774 Z: 15 8.770 1.874 0.454 0.298 0.857 0.571 CA 1.257 17 residues pruned to eliminate duplicates Z: 10 8.091 1.413 0.383 0.848 1.000 0.889 CB 1.024 10 residues pruned to eliminate duplicates Z: 63 44.386 2.047 0.850 0.666 0.919 0.661 CB 1.388 63 residues pruned to eliminate duplicates Z: 97 49.873 2.073 0.835 0.553 0.896 0.542 CB 1.419 97 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.267 1.368 0.914 0.489 1.000 0.600 C 0.737 6 residues pruned to eliminate duplicates Z: 8 12.210 2.101 1.060 0.541 0.714 0.571 CA 1.434 8 residues pruned to eliminate duplicates Z: 11 10.104 1.997 0.621 0.461 0.700 0.500 CB 1.466 11 residues pruned to eliminate duplicates Z: 66 52.547 2.170 0.917 0.652 0.908 0.585 CB 1.499 66 residues pruned to eliminate duplicates Z: 11 22.567 2.234 0.752 0.726 1.000 0.800 CA 1.487 11 residues pruned to eliminate duplicates Z: 13 20.835 2.139 0.992 0.602 0.833 0.667 CA 1.537 13 residues pruned to eliminate duplicates Z: 22 28.119 2.154 1.094 0.561 0.810 0.619 CA 1.583 23 residues pruned to eliminate duplicates Z: 11 21.016 2.014 1.002 0.897 1.000 0.900 CA 1.179 11 residues pruned to eliminate duplicates Z: 20 18.045 2.098 0.812 0.554 0.789 0.526 CA 1.309 20 residues pruned to eliminate duplicates Z: 57 47.672 2.146 0.874 0.705 0.946 0.607 CB 1.389 57 residues pruned to eliminate duplicates Z: 71 49.065 2.124 0.750 0.642 0.914 0.643 CA 1.510 71 residues pruned to eliminate duplicates Z: 68 49.336 2.148 0.732 0.674 0.955 0.687 CB 1.445 68 residues pruned to eliminate duplicates Z: 60 43.941 2.133 0.818 0.625 0.932 0.542 CB 1.408 60 residues pruned to eliminate duplicates Z: 43 29.288 2.066 0.746 0.577 0.810 0.500 CA 1.437 43 residues pruned to eliminate duplicates Z: 48 36.618 2.144 0.767 0.689 0.872 0.596 CB 1.359 48 residues pruned to eliminate duplicates Z: 65 43.350 2.067 0.814 0.709 0.906 0.641 CB 1.320 65 residues pruned to eliminate duplicates Z: 63 40.874 2.106 0.905 0.589 0.871 0.581 CB 1.364 63 residues pruned to eliminate duplicates Z: 72 41.908 2.096 0.819 0.570 0.859 0.549 CB 1.420 72 residues pruned to eliminate duplicates Z: 54 41.096 2.116 0.848 0.656 0.925 0.585 CB 1.351 54 residues pruned to eliminate duplicates Z: 57 43.543 2.111 0.840 0.707 0.929 0.571 CB 1.337 57 residues pruned to eliminate duplicates Z: 51 40.903 2.084 0.900 0.695 0.900 0.540 CB 1.358 51 residues pruned to eliminate duplicates Z: 18 15.526 2.054 0.575 0.654 0.824 0.647 CB 1.225 18 residues pruned to eliminate duplicates Z: 127 61.166 2.105 0.846 0.560 0.913 0.548 CB 1.450 127 residues pruned to eliminate duplicates Z: 47 40.691 2.163 0.922 0.719 0.870 0.587 CB 1.362 47 residues pruned to eliminate duplicates Z: 47 43.133 2.155 0.955 0.708 0.913 0.543 CB 1.368 47 residues pruned to eliminate duplicates Z: 47 43.911 2.172 0.932 0.708 0.935 0.587 CB 1.366 47 residues pruned to eliminate duplicates Z: 112 54.860 2.104 0.852 0.578 0.892 0.568 CB 1.391 112 residues pruned to eliminate duplicates Z: 111 55.154 2.106 0.853 0.582 0.900 0.491 CB 1.385 111 residues pruned to eliminate duplicates Z: 46 42.904 2.146 0.857 0.725 0.956 0.644 CB 1.371 46 residues pruned to eliminate duplicates Z: 47 47.208 2.169 0.978 0.728 0.935 0.587 CB 1.414 47 residues pruned to eliminate duplicates Z: 32 37.519 2.186 0.995 0.709 0.903 0.581 CB 1.415 32 residues pruned to eliminate duplicates Z: 47 39.211 2.155 0.967 0.708 0.826 0.522 CB 1.366 47 residues pruned to eliminate duplicates Z: 48 43.631 2.151 0.953 0.705 0.915 0.596 CB 1.374 48 residues pruned to eliminate duplicates Z: 34 38.143 2.133 0.996 0.667 0.939 0.515 CB 1.423 34 residues pruned to eliminate duplicates Z: 32 39.843 2.200 0.943 0.701 0.903 0.548 CB 1.544 32 residues pruned to eliminate duplicates Z: 93 53.670 2.106 0.981 0.588 0.891 0.565 CB 1.382 93 residues pruned to eliminate duplicates Z: 73 39.040 2.050 0.818 0.553 0.847 0.556 CB 1.384 73 residues pruned to eliminate duplicates Z: 112 55.662 2.091 0.890 0.577 0.892 0.613 CB 1.392 112 residues pruned to eliminate duplicates Z: 31 38.580 2.222 0.974 0.707 0.900 0.400 CB 1.479 31 residues pruned to eliminate duplicates Z: 50 40.348 2.131 0.798 0.669 0.918 0.490 CB 1.401 50 residues pruned to eliminate duplicates Z: 46 45.322 2.204 0.957 0.729 0.889 0.556 CB 1.434 46 residues pruned to eliminate duplicates Z: 46 38.602 2.131 1.008 0.619 0.867 0.444 CB 1.387 46 residues pruned to eliminate duplicates Z: 58 47.065 2.189 0.923 0.614 0.965 0.614 CB 1.377 58 residues pruned to eliminate duplicates Z: 33 38.699 2.131 1.073 0.676 0.938 0.625 CB 1.404 33 residues pruned to eliminate duplicates Z: 61 36.325 2.068 0.714 0.651 0.867 0.650 CB 1.326 61 residues pruned to eliminate duplicates Z: 54 41.875 2.122 0.880 0.674 0.887 0.679 CB 1.386 54 residues pruned to eliminate duplicates Z: 53 42.863 2.125 0.850 0.697 0.923 0.692 CB 1.368 53 residues pruned to eliminate duplicates Z: 63 41.933 2.102 0.843 0.622 0.887 0.629 CB 1.381 63 residues pruned to eliminate duplicates Z: 60 40.151 2.086 0.773 0.633 0.881 0.627 CB 1.415 60 residues pruned to eliminate duplicates Z: 112 58.986 2.094 0.858 0.601 0.919 0.613 CB 1.422 112 residues pruned to eliminate duplicates Z: 59 39.081 2.090 0.739 0.674 0.862 0.672 CB 1.394 59 residues pruned to eliminate duplicates Z: 69 41.021 1.975 0.851 0.652 0.912 0.529 CB 1.295 69 residues pruned to eliminate duplicates Z: 97 55.593 2.102 0.907 0.571 0.917 0.604 CB 1.441 97 residues pruned to eliminate duplicates Z: 54 46.121 2.137 0.883 0.666 0.943 0.717 CB 1.431 54 residues pruned to eliminate duplicates Z: 86 55.771 2.114 0.917 0.664 0.929 0.612 CB 1.380 86 residues pruned to eliminate duplicates Z: 47 41.026 2.087 0.836 0.718 0.957 0.739 CB 1.355 47 residues pruned to eliminate duplicates Z: 90 51.799 2.095 0.778 0.653 0.899 0.663 CB 1.422 90 residues pruned to eliminate duplicates Z: 122 61.328 2.121 0.875 0.568 0.901 0.570 CB 1.458 122 residues pruned to eliminate duplicates Z: 53 40.620 2.113 0.770 0.660 0.923 0.615 CB 1.406 53 residues pruned to eliminate duplicates Z: 64 41.387 2.077 0.843 0.575 0.889 0.556 CA 1.425 64 residues pruned to eliminate duplicates Z: 113 60.332 2.112 0.847 0.585 0.938 0.598 CB 1.437 113 residues pruned to eliminate duplicates Z: 92 54.893 2.112 0.885 0.581 0.934 0.593 CB 1.431 92 residues pruned to eliminate duplicates Z: 55 34.686 2.088 0.634 0.643 0.907 0.648 CB 1.334 55 residues pruned to eliminate duplicates Z: 63 39.149 2.052 0.869 0.518 0.935 0.581 CB 1.362 63 residues pruned to eliminate duplicates Z: 111 57.770 2.086 0.895 0.587 0.918 0.509 CB 1.395 111 residues pruned to eliminate duplicates Z: 94 50.794 2.099 0.920 0.568 0.871 0.527 CB 1.405 94 residues pruned to eliminate duplicates Z: 66 40.288 2.053 0.959 0.484 0.892 0.554 CB 1.415 66 residues pruned to eliminate duplicates Z: 12 15.661 1.813 0.795 0.746 1.000 0.273 CB 1.164 12 residues pruned to eliminate duplicates Z: 11 19.084 1.837 0.976 0.843 1.000 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 12 14.475 1.843 0.794 0.842 0.909 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 34 29.736 2.037 0.968 0.599 0.909 0.394 CB 1.293 34 residues pruned to eliminate duplicates Z: 35 25.361 1.978 0.837 0.632 0.853 0.529 CB 1.240 35 residues pruned to eliminate duplicates Z: 61 38.045 2.046 0.889 0.490 0.867 0.417 CB 1.481 61 residues pruned to eliminate duplicates Z: 84 52.152 2.115 0.789 0.673 0.928 0.578 CB 1.391 84 residues pruned to eliminate duplicates Z: 112 58.888 2.118 0.896 0.588 0.892 0.568 CB 1.435 112 residues pruned to eliminate duplicates Z: 60 33.110 2.038 0.839 0.420 0.881 0.356 CB 1.418 60 residues pruned to eliminate duplicates Z: 62 39.120 2.050 0.843 0.505 0.918 0.443 CB 1.436 62 residues pruned to eliminate duplicates Z: 83 44.377 2.026 0.898 0.607 0.866 0.500 CB 1.329 83 residues pruned to eliminate duplicates Z: 32 34.181 2.062 1.002 0.672 0.935 0.516 CB 1.357 32 residues pruned to eliminate duplicates Z: 21 27.241 2.124 0.869 0.609 0.900 0.500 CB 1.537 21 residues pruned to eliminate duplicates Z: 48 31.904 2.039 0.894 0.418 0.915 0.532 CB 1.436 48 residues pruned to eliminate duplicates Z: 99 48.557 2.027 0.905 0.512 0.888 0.500 CB 1.414 99 residues pruned to eliminate duplicates Z: 84 48.772 2.097 0.847 0.628 0.855 0.542 CB 1.432 84 residues pruned to eliminate duplicates Z: 67 43.662 2.041 0.931 0.527 0.939 0.545 CB 1.413 67 residues pruned to eliminate duplicates Z: 114 56.372 2.107 0.811 0.593 0.894 0.540 CB 1.423 114 residues pruned to eliminate duplicates Z: 109 58.707 2.096 0.917 0.585 0.926 0.657 CB 1.400 109 residues pruned to eliminate duplicates Z: 62 37.898 2.064 0.847 0.501 0.902 0.475 CB 1.410 62 residues pruned to eliminate duplicates Z: 62 36.667 2.047 0.871 0.484 0.902 0.525 CB 1.381 62 residues pruned to eliminate duplicates Z: 51 34.601 2.100 0.805 0.439 0.920 0.480 CB 1.494 51 residues pruned to eliminate duplicates Z: 48 38.496 2.163 0.994 0.448 0.915 0.553 CB 1.500 48 residues pruned to eliminate duplicates Z: 59 37.955 2.050 0.904 0.516 0.931 0.534 CB 1.350 59 residues pruned to eliminate duplicates Z: 60 35.356 2.045 0.850 0.458 0.864 0.492 CB 1.469 60 residues pruned to eliminate duplicates Z: 10 5.630 1.747 0.319 0.442 0.778 0.333 CB 1.111 10 residues pruned to eliminate duplicates Z: 66 40.115 2.075 0.824 0.504 0.923 0.569 CB 1.418 66 residues pruned to eliminate duplicates Z: 48 30.177 2.111 0.751 0.399 0.872 0.489 CB 1.519 48 residues pruned to eliminate duplicates Z: 34 28.124 2.089 0.793 0.406 0.970 0.485 CB 1.488 34 residues pruned to eliminate duplicates Z: 111 54.896 2.103 0.808 0.591 0.909 0.555 CB 1.388 111 residues pruned to eliminate duplicates Z: 59 40.473 2.059 0.901 0.542 0.931 0.552 CB 1.400 59 residues pruned to eliminate duplicates Z: 36 23.610 2.078 0.657 0.367 0.886 0.457 CB 1.509 36 residues pruned to eliminate duplicates Z: 122 57.584 2.026 0.937 0.560 0.901 0.595 CB 1.397 122 residues pruned to eliminate duplicates Z: 60 43.227 2.085 0.872 0.516 0.983 0.525 CB 1.444 60 residues pruned to eliminate duplicates Z: 99 50.252 2.082 0.829 0.531 0.918 0.500 CB 1.408 99 residues pruned to eliminate duplicates Z: 28 26.468 2.096 1.010 0.378 0.889 0.519 CB 1.548 28 residues pruned to eliminate duplicates Z: 62 39.946 2.062 0.838 0.506 0.934 0.525 CB 1.436 62 residues pruned to eliminate duplicates Z: 113 60.404 2.098 0.860 0.608 0.938 0.598 CB 1.408 113 residues pruned to eliminate duplicates Z: 113 58.638 2.088 0.851 0.599 0.920 0.554 CB 1.418 113 residues pruned to eliminate duplicates Z: 61 41.429 2.078 0.962 0.505 0.917 0.583 CB 1.424 61 residues pruned to eliminate duplicates Z: 67 37.248 2.024 0.807 0.512 0.894 0.576 CB 1.385 67 residues pruned to eliminate duplicates Z: 65 41.316 2.084 0.830 0.528 0.906 0.500 CB 1.453 65 residues pruned to eliminate duplicates Z: 35 26.539 2.073 0.807 0.367 0.941 0.324 CB 1.490 35 residues pruned to eliminate duplicates Z: 35 25.904 2.073 0.756 0.435 0.882 0.529 CB 1.479 35 residues pruned to eliminate duplicates Z: 101 54.033 2.068 0.824 0.572 0.940 0.580 CB 1.421 101 residues pruned to eliminate duplicates Z: 98 54.366 2.101 0.833 0.586 0.938 0.598 CB 1.406 98 residues pruned to eliminate duplicates Z: 68 40.964 2.000 0.896 0.521 0.925 0.478 CB 1.397 68 residues pruned to eliminate duplicates Z: 98 54.569 2.103 0.819 0.574 0.928 0.660 CB 1.454 98 residues pruned to eliminate duplicates Z: 34 25.306 2.046 0.735 0.417 0.909 0.515 CB 1.488 34 residues pruned to eliminate duplicates Z: 33 28.691 2.093 0.717 0.442 1.000 0.531 CB 1.497 33 residues pruned to eliminate duplicates Z: 97 56.525 2.111 0.882 0.591 0.938 0.552 CB 1.420 97 residues pruned to eliminate duplicates Z: 97 56.158 2.097 0.905 0.581 0.938 0.531 CB 1.416 97 residues pruned to eliminate duplicates Z: 61 36.102 2.041 0.711 0.508 0.900 0.533 CB 1.470 61 residues pruned to eliminate duplicates Z: 61 41.064 2.059 0.930 0.514 0.933 0.450 CB 1.410 61 residues pruned to eliminate duplicates Z: 33 26.584 2.116 0.817 0.430 0.906 0.531 CB 1.451 33 residues pruned to eliminate duplicates Z: 49 34.491 2.122 0.755 0.504 0.896 0.604 CB 1.485 49 residues pruned to eliminate duplicates Z: 112 55.338 2.097 0.856 0.582 0.892 0.541 CB 1.398 112 residues pruned to eliminate duplicates Z: 98 58.440 2.099 0.931 0.583 0.948 0.546 CB 1.426 98 residues pruned to eliminate duplicates Z: 34 16.317 1.936 0.464 0.395 0.848 0.515 CB 1.320 34 residues pruned to eliminate duplicates Z: 29 20.560 1.991 0.532 0.505 0.964 0.571 CB 1.315 29 residues pruned to eliminate duplicates Z: 43 24.751 2.003 0.527 0.446 0.905 0.524 CB 1.459 43 residues pruned to eliminate duplicates Z: 13 22.112 2.229 0.622 0.644 0.917 0.500 CB 1.683 13 residues pruned to eliminate duplicates Z: 37 24.611 2.059 0.545 0.470 0.944 0.556 CB 1.407 37 residues pruned to eliminate duplicates Z: 14 18.187 2.209 0.659 0.627 0.923 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 25 16.497 2.087 0.473 0.461 0.833 0.375 CB 1.368 25 residues pruned to eliminate duplicates Z: 22 17.201 2.118 0.642 0.456 0.905 0.476 CB 1.248 22 residues pruned to eliminate duplicates Z: 23 19.664 2.052 0.762 0.517 0.909 0.545 CB 1.254 23 residues pruned to eliminate duplicates Z: 37 26.884 2.096 0.645 0.490 0.917 0.667 CB 1.432 37 residues pruned to eliminate duplicates Z: 35 17.602 1.951 0.522 0.450 0.941 0.500 CB 1.138 35 residues pruned to eliminate duplicates Z: 44 23.653 1.997 0.554 0.474 0.884 0.535 CB 1.351 44 residues pruned to eliminate duplicates Z: 37 27.827 2.066 0.697 0.520 0.917 0.611 CB 1.416 37 residues pruned to eliminate duplicates Z: 25 20.506 2.112 0.601 0.481 0.917 0.500 CB 1.376 25 residues pruned to eliminate duplicates Z: 38 23.233 2.009 0.587 0.468 0.838 0.541 CB 1.477 38 residues pruned to eliminate duplicates Z: 23 19.097 2.036 0.626 0.541 0.909 0.455 CB 1.300 23 residues pruned to eliminate duplicates Z: 25 16.008 2.008 0.574 0.501 0.833 0.292 CB 1.240 25 residues pruned to eliminate duplicates Z: 35 25.079 2.012 0.790 0.572 0.853 0.588 CB 1.306 35 residues pruned to eliminate duplicates Z: 37 31.082 2.064 0.727 0.568 0.972 0.667 CB 1.399 37 residues pruned to eliminate duplicates Z: 37 31.983 2.075 0.770 0.550 0.944 0.694 CB 1.464 37 residues pruned to eliminate duplicates Z: 26 23.391 1.981 0.733 0.545 1.000 0.680 CB 1.304 26 residues pruned to eliminate duplicates Z: 24 22.550 1.979 0.723 0.563 0.913 0.609 CA 1.422 24 residues pruned to eliminate duplicates Z: 21 22.616 2.055 0.731 0.566 0.950 0.700 CA 1.403 21 residues pruned to eliminate duplicates Z: 23 25.857 2.042 0.768 0.547 0.955 0.682 CA 1.528 23 residues pruned to eliminate duplicates Z: 35 30.366 2.110 0.720 0.567 0.912 0.559 CB 1.476 35 residues pruned to eliminate duplicates Z: 20 22.532 2.031 0.704 0.547 0.947 0.632 CA 1.505 20 residues pruned to eliminate duplicates Z: 25 22.124 1.969 0.712 0.550 0.958 0.667 CA 1.332 25 residues pruned to eliminate duplicates Z: 15 17.728 1.981 0.481 0.587 1.000 0.571 CB 1.486 15 residues pruned to eliminate duplicates Z: 24 25.265 2.003 0.707 0.562 1.000 0.652 CA 1.452 24 residues pruned to eliminate duplicates Z: 24 19.568 2.014 0.515 0.578 0.913 0.652 CB 1.359 24 residues pruned to eliminate duplicates Z: 25 23.791 2.003 0.638 0.574 0.958 0.667 CA 1.439 25 residues pruned to eliminate duplicates Z: 25 29.283 2.059 0.781 0.569 1.000 0.792 CB 1.526 25 residues pruned to eliminate duplicates Z: 20 16.385 1.902 0.503 0.502 1.000 0.737 CB 1.312 20 residues pruned to eliminate duplicates Z: 25 24.360 1.998 0.577 0.579 1.000 0.750 CA 1.463 25 residues pruned to eliminate duplicates Z: 35 23.653 1.897 0.506 0.539 0.941 0.735 CB 1.453 35 residues pruned to eliminate duplicates Z: 18 13.916 1.867 0.582 0.630 0.765 0.412 CB 1.323 18 residues pruned to eliminate duplicates Z: 27 9.814 1.598 0.594 0.421 0.808 0.346 CB 1.016 27 residues pruned to eliminate duplicates Z: 54 33.006 2.032 0.688 0.575 0.925 0.585 CB 1.330 54 residues pruned to eliminate duplicates Z: 16 14.758 1.941 0.558 0.649 0.867 0.667 CB 1.266 16 residues pruned to eliminate duplicates Z: 15 15.538 1.939 0.748 0.620 0.786 0.500 CB 1.392 15 residues pruned to eliminate duplicates Z: 18 17.740 1.972 0.534 0.615 0.882 0.529 CB 1.445 18 residues pruned to eliminate duplicates Z: 19 16.239 1.878 0.538 0.560 0.889 0.500 CB 1.407 19 residues pruned to eliminate duplicates Z: 19 13.979 1.864 0.482 0.593 0.833 0.722 CB 1.309 19 residues pruned to eliminate duplicates Z: 14 15.716 1.992 0.528 0.631 0.923 0.538 CB 1.371 14 residues pruned to eliminate duplicates Z: 18 15.022 1.789 0.565 0.570 0.882 0.588 CB 1.379 18 residues pruned to eliminate duplicates Z: 20 15.955 1.825 0.510 0.537 0.947 0.474 CB 1.351 20 residues pruned to eliminate duplicates Z: 18 15.469 1.941 0.399 0.620 0.882 0.765 CB 1.398 18 residues pruned to eliminate duplicates Z: 18 16.416 1.891 0.748 0.587 0.824 0.588 CB 1.345 18 residues pruned to eliminate duplicates Z: 16 17.754 1.985 0.717 0.604 0.867 0.733 CB 1.405 16 residues pruned to eliminate duplicates Z: 21 13.598 1.796 0.622 0.542 0.800 0.600 CB 1.252 21 residues pruned to eliminate duplicates Z: 27 14.294 1.881 0.505 0.481 0.846 0.538 CB 1.193 27 residues pruned to eliminate duplicates Z: 18 18.155 1.952 0.544 0.598 0.941 0.765 CB 1.413 18 residues pruned to eliminate duplicates Z: 22 12.115 1.791 0.373 0.480 0.905 0.571 CB 1.212 22 residues pruned to eliminate duplicates Z: 15 7.467 1.850 0.132 0.369 0.929 0.429 CA 1.181 15 residues pruned to eliminate duplicates Z: 19 16.503 1.834 0.798 0.563 0.944 0.667 CB 1.176 19 residues pruned to eliminate duplicates Z: 19 13.927 1.778 0.479 0.626 0.944 0.611 CB 1.173 19 residues pruned to eliminate duplicates Z: 19 12.754 1.818 0.482 0.487 1.000 0.556 CB 1.131 19 residues pruned to eliminate duplicates Z: 18 12.039 1.761 0.471 0.449 1.000 0.412 CB 1.188 18 residues pruned to eliminate duplicates Z: 20 15.055 1.735 0.470 0.666 1.000 0.632 CB 1.162 20 residues pruned to eliminate duplicates Z: 20 13.889 1.771 0.517 0.555 1.000 0.526 CB 1.124 20 residues pruned to eliminate duplicates Z: 18 14.575 1.877 0.581 0.546 0.882 0.588 CB 1.291 18 residues pruned to eliminate duplicates Z: 36 23.098 1.900 0.510 0.589 0.971 0.686 CB 1.287 34 residues pruned to eliminate duplicates Z: 12 19.441 1.791 0.861 0.901 1.000 0.909 CA 1.255 13 residues pruned to eliminate duplicates Z: 13 15.293 1.841 0.554 0.841 1.000 0.833 CB 1.151 13 residues pruned to eliminate duplicates Z: 21 14.053 1.836 0.426 0.530 0.900 0.600 CA 1.295 21 residues pruned to eliminate duplicates Z: 18 13.841 1.882 0.441 0.606 0.882 0.706 CB 1.269 18 residues pruned to eliminate duplicates Z: 20 14.246 1.848 0.446 0.534 0.947 0.526 CB 1.249 20 residues pruned to eliminate duplicates Z: 10 10.589 1.959 0.885 0.409 0.889 0.444 CA 1.183 10 residues pruned to eliminate duplicates Z: 9 7.395 1.890 0.623 0.597 0.875 0.750 CA 0.888 9 residues pruned to eliminate duplicates Z: 7 9.050 2.050 0.803 0.606 0.833 0.667 CA 1.084 7 residues pruned to eliminate duplicates Z: 8 9.111 1.899 0.574 0.468 0.857 0.714 CB 1.389 8 residues pruned to eliminate duplicates Z: 6 11.896 2.236 0.948 0.611 0.800 0.600 CB 1.374 6 residues pruned to eliminate duplicates Z: 24 26.925 2.186 1.248 0.478 0.826 0.522 CB 1.415 24 residues pruned to eliminate duplicates Z: 13 11.575 1.727 0.592 0.557 0.917 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 23 32.234 2.142 0.994 0.638 0.955 0.727 CB 1.481 23 residues pruned to eliminate duplicates Z: 25 30.504 2.147 0.871 0.556 0.958 0.750 CB 1.531 25 residues pruned to eliminate duplicates Z: 133 63.977 2.164 0.847 0.572 0.909 0.598 CB 1.430 133 residues pruned to eliminate duplicates Z: 85 48.938 2.116 0.747 0.646 0.917 0.690 CB 1.375 85 residues pruned to eliminate duplicates Z: 83 53.572 2.164 0.841 0.645 0.939 0.585 CB 1.382 83 residues pruned to eliminate duplicates Z: 103 59.842 2.157 0.859 0.635 0.941 0.647 CB 1.383 103 residues pruned to eliminate duplicates Z: 83 55.264 2.171 0.812 0.687 0.927 0.695 CB 1.410 83 residues pruned to eliminate duplicates Z: 15 23.870 2.333 0.843 0.539 1.000 0.786 CA 1.428 15 residues pruned to eliminate duplicates Z: 37 37.660 2.163 0.868 0.574 0.944 0.722 CB 1.531 37 residues pruned to eliminate duplicates Z: 23 30.248 2.206 0.780 0.615 1.000 0.727 CB 1.473 23 residues pruned to eliminate duplicates Z: 82 54.376 2.192 0.822 0.685 0.926 0.691 CB 1.379 82 residues pruned to eliminate duplicates Z: 83 47.949 2.161 0.774 0.640 0.902 0.634 CB 1.342 83 residues pruned to eliminate duplicates Z: 24 25.312 2.133 0.895 0.540 0.913 0.652 CB 1.375 24 residues pruned to eliminate duplicates Z: 23 28.672 2.152 0.848 0.565 0.955 0.727 CA 1.513 23 residues pruned to eliminate duplicates Z: 75 50.141 2.154 0.795 0.674 0.932 0.649 CB 1.377 75 residues pruned to eliminate duplicates Z: 102 55.218 2.173 0.809 0.631 0.891 0.624 CB 1.386 102 residues pruned to eliminate duplicates Z: 132 68.030 2.188 0.821 0.573 0.939 0.679 CB 1.480 135 residues pruned to eliminate duplicates Z: 30 30.933 2.136 0.642 0.729 0.862 0.483 CB 1.545 30 residues pruned to eliminate duplicates Z: 58 42.157 2.167 0.810 0.698 0.912 0.719 CB 1.303 58 residues pruned to eliminate duplicates Z: 34 36.506 2.227 0.783 0.622 0.970 0.576 CA 1.471 34 residues pruned to eliminate duplicates Z: 81 55.394 2.191 0.780 0.697 0.963 0.713 CB 1.378 81 residues pruned to eliminate duplicates Z: 65 43.688 2.135 0.769 0.677 0.922 0.641 CB 1.333 65 residues pruned to eliminate duplicates Z: 82 55.524 2.189 0.828 0.676 0.963 0.654 CB 1.362 82 residues pruned to eliminate duplicates Z: 82 56.180 2.176 0.913 0.671 0.926 0.568 CB 1.383 82 residues pruned to eliminate duplicates Z: 52 42.411 2.206 0.820 0.675 0.902 0.667 CB 1.396 52 residues pruned to eliminate duplicates Z: 82 50.169 2.140 0.785 0.648 0.963 0.630 CB 1.320 82 residues pruned to eliminate duplicates Z: 129 64.150 2.179 0.856 0.571 0.906 0.539 CB 1.445 129 residues pruned to eliminate duplicates Z: 76 54.229 2.195 0.801 0.673 0.960 0.680 CB 1.407 76 residues pruned to eliminate duplicates Z: 83 56.877 2.181 0.845 0.693 0.951 0.622 CB 1.375 81 residues pruned to eliminate duplicates Z: 15 28.798 2.093 1.026 0.860 0.857 0.500 CB 1.557 15 residues pruned to eliminate duplicates Z: 60 46.688 2.166 0.992 0.606 0.915 0.542 CB 1.392 60 residues pruned to eliminate duplicates Z: 62 54.498 2.233 0.950 0.702 0.934 0.656 CB 1.426 62 residues pruned to eliminate duplicates Z: 70 43.229 2.171 0.767 0.653 0.884 0.580 CB 1.331 70 residues pruned to eliminate duplicates Z: 47 34.070 2.093 0.822 0.686 0.935 0.565 CB 1.188 47 residues pruned to eliminate duplicates Z: 82 53.596 2.176 0.835 0.685 0.938 0.667 CB 1.341 82 residues pruned to eliminate duplicates Z: 47 34.447 2.087 0.795 0.667 0.935 0.609 CB 1.242 47 residues pruned to eliminate duplicates Z: 106 58.540 2.167 0.770 0.619 0.943 0.667 CB 1.412 106 residues pruned to eliminate duplicates Z: 62 46.686 2.179 0.808 0.697 0.934 0.557 CB 1.357 62 residues pruned to eliminate duplicates Z: 46 35.366 2.119 0.828 0.719 0.911 0.622 CB 1.225 46 residues pruned to eliminate duplicates Z: 63 43.704 2.167 0.717 0.689 0.935 0.581 CB 1.341 63 residues pruned to eliminate duplicates Z: 81 55.953 2.206 0.828 0.684 0.963 0.725 CB 1.361 81 residues pruned to eliminate duplicates Z: 82 52.869 2.185 0.825 0.651 0.938 0.630 CB 1.364 82 residues pruned to eliminate duplicates Z: 63 41.334 2.130 0.772 0.650 0.903 0.597 CB 1.338 63 residues pruned to eliminate duplicates Z: 62 46.673 2.182 0.793 0.717 0.918 0.656 CB 1.367 62 residues pruned to eliminate duplicates Z: 84 51.485 2.162 0.838 0.647 0.904 0.566 CB 1.371 84 residues pruned to eliminate duplicates Z: 96 45.810 2.094 0.826 0.501 0.884 0.484 CB 1.389 85 residues pruned to eliminate duplicates Z: 29 36.359 2.174 1.091 0.821 0.964 0.643 CB 1.186 29 residues pruned to eliminate duplicates Z: 39 29.405 2.101 0.895 0.649 0.868 0.579 CB 1.200 39 residues pruned to eliminate duplicates Z: 137 63.029 2.155 0.815 0.534 0.941 0.610 CB 1.419 137 residues pruned to eliminate duplicates Z: 82 51.905 2.185 0.748 0.657 0.951 0.642 CB 1.373 82 residues pruned to eliminate duplicates Z: 101 46.807 2.100 0.830 0.534 0.880 0.600 CB 1.338 101 residues pruned to eliminate duplicates Z: 134 68.034 2.173 0.848 0.575 0.932 0.624 CB 1.466 134 residues pruned to eliminate duplicates Z: 86 49.307 2.144 0.765 0.646 0.929 0.624 CB 1.326 86 residues pruned to eliminate duplicates Z: 62 45.199 2.162 0.780 0.701 0.918 0.623 CB 1.364 62 residues pruned to eliminate duplicates Z: 73 49.185 2.168 0.774 0.651 0.944 0.708 CB 1.386 73 residues pruned to eliminate duplicates Z: 77 51.149 2.151 0.738 0.643 0.974 0.671 CB 1.409 77 residues pruned to eliminate duplicates Z: 85 49.993 2.151 0.680 0.644 0.952 0.667 CB 1.385 85 residues pruned to eliminate duplicates Z: 86 47.389 2.139 0.664 0.610 0.929 0.659 CB 1.399 86 residues pruned to eliminate duplicates Z: 103 58.395 2.163 0.751 0.635 0.941 0.686 CB 1.429 104 residues pruned to eliminate duplicates Z: 15 18.793 1.993 0.390 0.826 0.929 0.643 CB 1.472 15 residues pruned to eliminate duplicates Z: 133 66.159 2.177 0.753 0.573 0.955 0.636 CB 1.473 133 residues pruned to eliminate duplicates Z: 82 54.268 2.192 0.719 0.678 0.951 0.704 CB 1.429 82 residues pruned to eliminate duplicates Z: 117 55.731 2.157 0.729 0.551 0.914 0.595 CB 1.444 117 residues pruned to eliminate duplicates Z: 17 11.924 1.986 0.492 0.589 0.875 0.625 CB 1.056 17 residues pruned to eliminate duplicates Z: 84 46.845 2.145 0.699 0.644 0.904 0.554 CB 1.365 84 residues pruned to eliminate duplicates Z: 38 22.184 2.019 0.722 0.534 0.811 0.514 CB 1.251 38 residues pruned to eliminate duplicates Z: 67 40.452 2.125 0.744 0.459 0.939 0.561 CB 1.492 67 residues pruned to eliminate duplicates Z: 17 11.257 1.908 0.386 0.696 0.938 0.625 CB 0.949 17 residues pruned to eliminate duplicates Z: 20 11.053 1.879 0.446 0.519 0.895 0.684 CB 1.023 20 residues pruned to eliminate duplicates Z: 37 28.417 2.029 0.780 0.606 0.944 0.694 CB 1.256 37 residues pruned to eliminate duplicates Z: 20 8.778 1.825 0.295 0.528 0.895 0.474 CB 0.926 20 residues pruned to eliminate duplicates Z: 10 12.590 1.990 0.407 0.710 1.000 0.667 CB 1.239 10 residues pruned to eliminate duplicates Z: 10 10.708 1.974 0.413 0.712 0.889 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 63 45.328 2.138 0.808 0.706 0.919 0.581 CB 1.344 63 residues pruned to eliminate duplicates Z: 61 35.099 2.102 0.831 0.459 0.900 0.500 CB 1.364 61 residues pruned to eliminate duplicates Z: 70 37.630 2.097 0.802 0.428 0.942 0.594 CB 1.371 70 residues pruned to eliminate duplicates Z: 23 22.762 2.087 0.786 0.484 0.955 0.545 CB 1.386 23 residues pruned to eliminate duplicates Z: 45 37.378 2.156 0.971 0.428 0.932 0.614 CB 1.533 45 residues pruned to eliminate duplicates Z: 54 35.138 2.148 0.838 0.424 0.887 0.566 CB 1.492 54 residues pruned to eliminate duplicates Z: 62 39.625 2.131 0.811 0.440 0.918 0.574 CB 1.523 62 residues pruned to eliminate duplicates Z: 69 37.158 2.122 0.818 0.467 0.882 0.529 CB 1.370 69 residues pruned to eliminate duplicates Z: 39 22.153 2.020 0.672 0.483 0.895 0.526 CB 1.210 39 residues pruned to eliminate duplicates Z: 23 24.267 2.125 0.756 0.516 0.909 0.727 CB 1.501 23 residues pruned to eliminate duplicates Z: 57 33.124 2.112 0.784 0.422 0.875 0.643 CB 1.456 57 residues pruned to eliminate duplicates Z: 43 39.565 2.179 0.936 0.449 0.952 0.500 CB 1.601 43 residues pruned to eliminate duplicates Z: 27 18.950 2.006 0.712 0.441 0.885 0.500 CB 1.299 27 residues pruned to eliminate duplicates Z: 108 55.947 2.169 0.747 0.530 0.953 0.589 CB 1.454 108 residues pruned to eliminate duplicates Z: 47 35.912 2.140 0.861 0.407 0.957 0.543 CB 1.532 47 residues pruned to eliminate duplicates Z: 45 36.716 2.199 0.799 0.426 0.955 0.568 CB 1.583 45 residues pruned to eliminate duplicates Z: 60 37.375 2.134 0.779 0.421 0.932 0.542 CB 1.493 60 residues pruned to eliminate duplicates Z: 45 32.167 2.135 0.787 0.423 0.909 0.545 CB 1.515 45 residues pruned to eliminate duplicates Z: 57 34.500 2.122 0.794 0.395 0.893 0.589 CB 1.514 57 residues pruned to eliminate duplicates Z: 102 61.374 2.187 0.769 0.643 0.990 0.703 CB 1.395 102 residues pruned to eliminate duplicates Z: 53 38.150 2.182 0.790 0.407 0.923 0.519 CB 1.617 53 residues pruned to eliminate duplicates Z: 68 39.189 2.116 0.778 0.438 0.955 0.522 CB 1.421 68 residues pruned to eliminate duplicates Z: 66 35.641 2.095 0.727 0.427 0.908 0.538 CB 1.452 66 residues pruned to eliminate duplicates Z: 57 35.553 2.134 0.779 0.393 0.893 0.500 CB 1.570 57 residues pruned to eliminate duplicates Z: 63 37.264 2.139 0.774 0.430 0.903 0.597 CB 1.485 63 residues pruned to eliminate duplicates Z: 54 34.742 2.152 0.813 0.372 0.906 0.547 CB 1.549 54 residues pruned to eliminate duplicates Z: 69 33.382 2.100 0.751 0.370 0.882 0.544 CB 1.433 69 residues pruned to eliminate duplicates Z: 58 34.167 2.103 0.831 0.363 0.895 0.526 CB 1.522 58 residues pruned to eliminate duplicates Z: 49 37.415 2.193 0.753 0.424 0.938 0.500 CB 1.622 49 residues pruned to eliminate duplicates Z: 55 34.938 2.140 0.755 0.404 0.889 0.556 CB 1.575 55 residues pruned to eliminate duplicates Z: 53 32.565 2.071 0.906 0.410 0.865 0.462 CB 1.452 53 residues pruned to eliminate duplicates Z: 65 38.067 2.118 0.733 0.437 0.922 0.562 CB 1.502 65 residues pruned to eliminate duplicates Z: 60 35.784 2.117 0.777 0.453 0.915 0.593 CB 1.420 60 residues pruned to eliminate duplicates Z: 58 36.191 2.142 0.846 0.374 0.912 0.474 CB 1.520 58 residues pruned to eliminate duplicates Z: 25 27.914 2.194 0.879 0.405 0.958 0.583 CA 1.594 25 residues pruned to eliminate duplicates Z: 126 71.704 2.176 0.880 0.603 0.976 0.624 CB 1.457 125 residues pruned to eliminate duplicates Z: 9 5.293 1.418 0.275 0.507 1.000 0.625 CA 1.028 9 residues pruned to eliminate duplicates Z: 57 37.618 2.113 0.856 0.458 0.911 0.571 CB 1.468 57 residues pruned to eliminate duplicates Z: 53 39.524 2.109 0.737 0.441 0.962 0.538 CA 1.652 53 residues pruned to eliminate duplicates Z: 52 38.065 2.177 0.796 0.420 0.922 0.549 CB 1.608 52 residues pruned to eliminate duplicates Z: 53 34.564 2.121 0.814 0.403 0.865 0.462 CB 1.595 53 residues pruned to eliminate duplicates Z: 73 36.923 2.107 0.765 0.425 0.903 0.528 CB 1.402 73 residues pruned to eliminate duplicates Z: 38 25.648 2.079 0.816 0.348 0.865 0.595 CB 1.523 38 residues pruned to eliminate duplicates Z: 30 24.138 2.104 0.879 0.342 0.862 0.483 CA 1.562 30 residues pruned to eliminate duplicates Z: 59 37.860 2.152 0.810 0.394 0.897 0.552 CB 1.592 59 residues pruned to eliminate duplicates Z: 33 27.081 2.118 0.836 0.375 0.906 0.531 CA 1.552 33 residues pruned to eliminate duplicates Z: 96 50.296 2.128 0.799 0.528 0.937 0.579 CB 1.400 96 residues pruned to eliminate duplicates Z: 65 34.922 2.103 0.741 0.416 0.891 0.562 CB 1.461 65 residues pruned to eliminate duplicates Z: 65 36.145 2.118 0.759 0.425 0.906 0.500 CB 1.447 65 residues pruned to eliminate duplicates Z: 60 42.556 2.182 0.757 0.482 0.949 0.610 CB 1.551 60 residues pruned to eliminate duplicates Z: 32 25.748 2.177 0.720 0.396 0.871 0.548 CB 1.582 32 residues pruned to eliminate duplicates Z: 55 35.838 2.130 0.744 0.404 0.907 0.574 CB 1.600 55 residues pruned to eliminate duplicates Z: 58 32.967 2.127 0.740 0.403 0.860 0.579 CB 1.519 58 residues pruned to eliminate duplicates Z: 60 35.420 2.132 0.764 0.390 0.898 0.559 CB 1.534 60 residues pruned to eliminate duplicates Z: 39 24.376 2.060 0.804 0.323 0.868 0.526 CB 1.489 39 residues pruned to eliminate duplicates Z: 59 36.269 2.099 0.812 0.388 0.897 0.534 CB 1.572 59 residues pruned to eliminate duplicates Z: 64 39.035 2.112 0.753 0.411 0.952 0.540 CB 1.531 64 residues pruned to eliminate duplicates Z: 58 34.716 2.120 0.836 0.399 0.895 0.544 CB 1.469 58 residues pruned to eliminate duplicates Z: 13 22.854 2.180 0.694 0.713 0.917 0.750 CB 1.606 13 residues pruned to eliminate duplicates Z: 14 16.659 1.970 0.363 0.811 1.000 0.615 CB 1.312 14 residues pruned to eliminate duplicates Z: 13 19.533 2.168 0.344 0.745 1.000 0.833 CB 1.554 14 residues pruned to eliminate duplicates Z: 12 15.758 2.124 0.346 0.885 0.818 0.636 CB 1.467 13 residues pruned to eliminate duplicates Z: 10 13.149 2.288 -0.007 0.853 0.889 0.667 CB 1.604 10 residues pruned to eliminate duplicates Z: 13 14.010 2.195 0.187 0.731 0.917 0.833 CB 1.375 12 residues pruned to eliminate duplicates Z: 9 14.457 2.269 0.296 0.870 0.875 0.750 CA 1.450 9 residues pruned to eliminate duplicates Z: 15 16.068 2.048 0.305 0.691 0.929 0.714 CB 1.452 15 residues pruned to eliminate duplicates Z: 15 14.758 2.040 0.529 0.704 0.929 0.571 CB 1.131 15 residues pruned to eliminate duplicates Z: 13 17.467 2.119 0.524 0.737 1.000 0.500 CB 1.262 13 residues pruned to eliminate duplicates Z: 13 16.001 2.145 0.365 0.715 0.917 0.500 CB 1.417 13 residues pruned to eliminate duplicates Z: 29 14.716 1.856 0.529 0.446 0.893 0.643 CB 1.160 29 residues pruned to eliminate duplicates Z: 22 20.406 1.987 0.829 0.552 0.952 0.619 CB 1.224 22 residues pruned to eliminate duplicates Z: 28 15.141 1.992 0.394 0.386 0.889 0.519 CB 1.332 28 residues pruned to eliminate duplicates Z: 7 10.453 2.019 0.844 0.570 0.833 0.667 CB 1.286 7 residues pruned to eliminate duplicates Z: 21 18.950 2.036 0.693 0.554 0.850 0.550 CB 1.372 21 residues pruned to eliminate duplicates Z: 21 19.851 2.020 0.680 0.540 0.900 0.650 CA 1.397 21 residues pruned to eliminate duplicates Z: 25 23.702 2.045 0.696 0.521 0.958 0.667 CA 1.425 23 residues pruned to eliminate duplicates Z: 11 18.164 2.153 0.371 0.845 1.000 0.800 CA 1.447 11 residues pruned to eliminate duplicates Z: 20 15.737 2.049 0.499 0.456 0.895 0.632 CB 1.374 20 residues pruned to eliminate duplicates Z: 24 19.721 2.091 0.616 0.475 0.870 0.609 CB 1.434 24 residues pruned to eliminate duplicates Z: 26 19.412 2.077 0.359 0.536 0.960 0.640 CB 1.382 26 residues pruned to eliminate duplicates Z: 24 19.918 2.065 0.493 0.484 0.957 0.652 CB 1.431 24 residues pruned to eliminate duplicates Z: 27 20.157 2.021 0.370 0.537 0.962 0.615 CB 1.432 27 residues pruned to eliminate duplicates Z: 22 18.117 2.039 0.540 0.496 0.905 0.667 CB 1.398 22 residues pruned to eliminate duplicates Z: 23 18.871 2.094 0.444 0.477 0.955 0.545 CB 1.427 23 residues pruned to eliminate duplicates Z: 38 22.249 1.950 0.416 0.492 0.946 0.676 CB 1.411 38 residues pruned to eliminate duplicates Z: 25 20.720 2.051 0.470 0.525 1.000 0.625 CB 1.369 25 residues pruned to eliminate duplicates Z: 41 25.550 2.015 0.577 0.513 0.900 0.450 CB 1.394 41 residues pruned to eliminate duplicates Z: 29 13.344 1.957 0.372 0.359 0.821 0.429 CB 1.331 29 residues pruned to eliminate duplicates Z: 26 19.302 2.025 0.536 0.522 0.920 0.680 CB 1.320 26 residues pruned to eliminate duplicates Z: 22 20.430 2.042 0.706 0.531 0.857 0.619 CA 1.448 22 residues pruned to eliminate duplicates Z: 49 28.626 2.065 0.586 0.491 0.896 0.625 CB 1.421 49 residues pruned to eliminate duplicates Z: 32 25.333 1.993 0.732 0.608 0.903 0.581 CB 1.318 32 residues pruned to eliminate duplicates Z: 17 24.749 2.104 0.948 0.646 0.875 0.625 CB 1.505 17 residues pruned to eliminate duplicates Z: 17 27.357 2.071 1.046 0.632 0.938 0.438 CA 1.521 17 residues pruned to eliminate duplicates Z: 20 23.519 2.041 0.899 0.590 0.895 0.684 CB 1.428 20 residues pruned to eliminate duplicates Z: 19 29.091 2.155 0.964 0.589 0.944 0.556 CB 1.575 19 residues pruned to eliminate duplicates Z: 17 26.893 2.148 1.040 0.574 0.938 0.438 CB 1.524 17 residues pruned to eliminate duplicates Z: 19 27.409 2.116 0.917 0.604 0.944 0.611 CB 1.528 19 residues pruned to eliminate duplicates Z: 42 23.590 1.874 0.602 0.568 0.951 0.707 CB 1.208 42 residues pruned to eliminate duplicates Z: 19 23.989 2.080 0.869 0.611 0.889 0.556 CA 1.472 19 residues pruned to eliminate duplicates Z: 57 32.682 1.985 0.640 0.558 0.929 0.679 CB 1.366 57 residues pruned to eliminate duplicates Z: 28 25.559 2.080 0.768 0.523 0.889 0.519 CB 1.470 28 residues pruned to eliminate duplicates Z: 39 25.991 2.080 0.657 0.523 0.842 0.553 CB 1.419 39 residues pruned to eliminate duplicates Z: 21 9.623 1.767 0.311 0.306 0.900 0.400 CB 1.281 21 residues pruned to eliminate duplicates Z: 24 24.527 2.125 0.634 0.513 1.000 0.522 CB 1.455 24 residues pruned to eliminate duplicates Z: 33 24.813 2.013 0.724 0.553 0.875 0.562 CB 1.371 33 residues pruned to eliminate duplicates Z: 11 4.348 1.609 0.717 0.290 0.600 0.100 CB 1.050 11 residues pruned to eliminate duplicates Z: 26 24.811 2.147 0.736 0.477 0.920 0.440 CB 1.482 26 residues pruned to eliminate duplicates Z: 34 22.765 1.986 0.637 0.541 0.848 0.697 CB 1.381 34 residues pruned to eliminate duplicates Z: 34 26.452 1.996 0.711 0.552 0.909 0.515 CB 1.409 34 residues pruned to eliminate duplicates Z: 11 18.508 1.877 0.716 0.801 1.000 0.700 CB 1.396 11 residues pruned to eliminate duplicates Z: 10 16.561 1.935 0.472 0.870 1.000 0.778 CB 1.414 10 residues pruned to eliminate duplicates Z: 11 19.284 1.888 0.833 0.828 1.000 0.700 CB 1.326 11 residues pruned to eliminate duplicates Z: 10 15.225 1.857 0.585 0.769 1.000 0.667 CB 1.359 10 residues pruned to eliminate duplicates Z: 12 12.434 1.766 0.780 0.735 0.818 0.818 CB 1.180 12 residues pruned to eliminate duplicates Z: 13 12.730 1.771 0.732 0.666 0.917 0.667 CB 1.121 13 residues pruned to eliminate duplicates Z: 10 17.940 1.831 0.940 0.791 1.000 0.444 CB 1.304 10 residues pruned to eliminate duplicates Z: 35 27.036 1.962 0.804 0.549 0.941 0.618 CB 1.326 35 residues pruned to eliminate duplicates Z: 35 26.747 1.981 0.823 0.560 0.912 0.529 CB 1.314 35 residues pruned to eliminate duplicates Z: 22 15.430 1.707 0.531 0.740 1.000 0.619 CB 1.039 24 residues pruned to eliminate duplicates Z: 20 18.705 1.743 0.674 0.790 1.000 0.684 CB 1.141 20 residues pruned to eliminate duplicates Z: 42 30.338 1.926 0.706 0.610 0.976 0.634 CB 1.332 43 residues pruned to eliminate duplicates Z: 10 5.445 1.450 0.475 0.665 0.778 0.444 CB 0.936 10 residues pruned to eliminate duplicates Z: 8 5.329 1.587 0.145 0.741 0.857 0.286 CB 1.042 8 residues pruned to eliminate duplicates Z: 30 17.274 1.741 0.532 0.582 0.966 0.517 CB 1.150 30 residues pruned to eliminate duplicates Z: 30 15.109 1.719 0.743 0.546 0.862 0.586 CB 1.038 30 residues pruned to eliminate duplicates Z: 20 17.135 1.669 0.720 0.762 0.947 0.579 CB 1.145 20 residues pruned to eliminate duplicates Z: 11 5.990 1.437 0.260 0.767 0.900 0.500 CB 0.917 11 residues pruned to eliminate duplicates Z: 44 28.226 1.873 0.727 0.608 0.953 0.558 CB 1.260 43 residues pruned to eliminate duplicates Z: 9 8.161 1.569 0.342 0.822 1.000 0.750 CB 1.037 9 residues pruned to eliminate duplicates 413 residues left after pruning, divided into chains as follows: A: 199 B: 139 C: 11 D: 64 CC for partial structure against native data = 42.04 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.445, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.511, Connect. = 0.726 for dens.mod. cycle 2 = 0.300, Contrast = 0.611, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.622, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.634, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.640, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.646, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.648, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.651, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.652, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2409 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 545 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 26.618 2.019 1.073 0.838 0.867 0.733 CB 1.417 B: 14 28.380 2.258 0.688 0.869 0.923 0.615 CA 1.634 C: 15 23.780 2.123 0.588 0.866 0.857 0.714 CA 1.611 15 residues pruned to eliminate duplicates D: 15 34.349 2.221 0.770 0.904 1.000 0.786 CA 1.663 14 residues pruned to eliminate duplicates E: 18 31.370 2.011 1.080 0.871 0.941 0.588 CA 1.409 F: 16 18.707 1.987 1.126 0.891 0.867 0.667 CB 0.948 G: 13 21.152 2.051 0.885 0.907 1.000 0.917 CA 1.122 H: 16 25.024 2.056 0.963 0.871 0.933 0.733 CB 1.251 16 residues pruned to eliminate duplicates I: 14 30.283 2.259 0.779 0.891 0.923 0.692 CA 1.628 14 residues pruned to eliminate duplicates J: 18 25.013 1.895 1.003 0.869 0.941 0.647 CB 1.240 18 residues pruned to eliminate duplicates K: 16 19.701 2.020 1.106 0.774 0.933 0.533 CB 1.006 16 residues pruned to eliminate duplicates L: 14 17.928 1.863 0.543 0.886 1.000 0.923 CB 1.247 M: 15 30.676 2.116 0.865 0.901 1.000 0.857 CA 1.483 15 residues pruned to eliminate duplicates N: 10 26.588 2.221 0.990 0.901 1.000 0.889 CA 1.431 O: 14 23.901 2.148 1.118 0.915 0.923 0.846 CB 1.116 14 residues pruned to eliminate duplicates P: 13 12.056 1.895 0.335 0.739 0.917 0.667 CA 1.211 Q: 14 23.561 1.964 0.854 0.866 0.923 0.692 CA 1.423 12 residues pruned to eliminate duplicates R: 12 13.057 1.983 0.263 0.826 1.000 0.545 CA 1.185 13 residues pruned to eliminate duplicates S: 12 12.421 1.768 0.581 0.838 0.818 0.727 CB 1.224 T: 14 28.451 2.250 0.633 0.881 0.923 0.769 CA 1.684 14 residues pruned to eliminate duplicates U: 15 30.489 2.186 0.607 0.904 1.000 0.714 CA 1.652 15 residues pruned to eliminate duplicates V: 15 20.191 1.983 0.768 0.877 0.929 0.714 CB 1.203 W: 14 18.048 1.957 0.434 0.869 1.000 0.769 CB 1.303 15 residues pruned to eliminate duplicates X: 9 25.512 2.321 0.848 0.899 1.000 1.000 CA 1.503 10 residues pruned to eliminate duplicates Y: 15 19.341 2.081 0.407 0.817 0.857 0.571 CA 1.563 15 residues pruned to eliminate duplicates Z: 13 16.735 1.791 0.846 0.927 0.917 0.833 CB 1.117 12 residues pruned to eliminate duplicates Z: 12 23.713 2.005 0.895 0.836 1.000 0.636 CA 1.408 12 residues pruned to eliminate duplicates Z: 14 22.630 2.150 0.425 0.906 1.000 0.769 CA 1.456 14 residues pruned to eliminate duplicates Z: 9 10.220 1.902 0.730 0.549 0.875 0.625 CB 1.196 Z: 12 26.265 2.053 1.082 0.842 1.000 0.545 CB 1.381 13 residues pruned to eliminate duplicates Z: 11 26.580 2.326 0.824 0.875 1.000 0.800 CA 1.441 11 residues pruned to eliminate duplicates Z: 18 31.118 1.996 1.153 0.864 0.941 0.824 CA 1.368 18 residues pruned to eliminate duplicates Z: 98 51.167 2.124 0.802 0.556 0.907 0.577 CB 1.417 29 residues pruned to eliminate duplicates Z: 14 16.460 2.061 0.358 0.914 0.923 0.846 CB 1.250 14 residues pruned to eliminate duplicates Z: 13 27.580 2.252 0.915 0.795 1.000 0.667 CA 1.426 13 residues pruned to eliminate duplicates Z: 13 17.462 1.938 0.476 0.837 1.000 0.417 CB 1.318 Z: 10 24.708 2.097 1.232 0.794 0.889 0.778 CA 1.529 Z: 14 18.782 2.121 1.015 0.910 1.000 0.692 CB 0.864 14 residues pruned to eliminate duplicates Z: 48 41.423 2.170 0.950 0.708 0.851 0.553 CB 1.389 52 residues pruned to eliminate duplicates Z: 8 7.615 1.656 0.343 0.798 0.857 0.571 CB 1.162 8 residues pruned to eliminate duplicates Z: 13 17.273 2.027 0.409 0.829 1.000 0.667 CB 1.314 14 residues pruned to eliminate duplicates Z: 45 37.879 2.133 0.849 0.439 0.955 0.591 CB 1.616 45 residues pruned to eliminate duplicates Z: 7 8.197 1.899 0.689 0.623 0.833 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 134 64.818 2.160 0.821 0.555 0.932 0.579 CB 1.452 128 residues pruned to eliminate duplicates Z: 11 16.154 2.090 0.426 0.779 0.900 0.500 CA 1.489 11 residues pruned to eliminate duplicates Z: 15 28.385 2.097 0.881 0.897 1.000 0.786 CA 1.377 15 residues pruned to eliminate duplicates Z: 13 14.610 1.713 0.451 0.895 1.000 0.833 CB 1.216 13 residues pruned to eliminate duplicates Z: 15 30.412 2.183 0.638 0.916 1.000 0.714 CA 1.605 15 residues pruned to eliminate duplicates Z: 14 23.701 2.040 0.701 0.928 1.000 0.846 CB 1.326 14 residues pruned to eliminate duplicates Z: 10 13.512 1.848 0.456 0.801 1.000 0.889 CA 1.287 Z: 10 14.157 1.924 0.944 0.413 0.889 0.556 CB 1.555 10 residues pruned to eliminate duplicates Z: 13 10.201 1.889 0.204 0.694 0.833 0.750 CA 1.302 10 residues pruned to eliminate duplicates Z: 10 23.129 2.154 0.821 0.905 1.000 0.778 CA 1.399 10 residues pruned to eliminate duplicates Z: 12 14.119 1.941 0.289 0.765 1.000 0.818 CA 1.345 12 residues pruned to eliminate duplicates Z: 13 31.213 2.217 1.043 0.903 1.000 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 13 16.195 2.004 0.647 0.874 0.833 0.667 CA 1.237 13 residues pruned to eliminate duplicates Z: 11 11.957 1.925 0.368 0.747 0.800 0.600 CA 1.440 11 residues pruned to eliminate duplicates Z: 12 25.773 2.122 1.089 0.777 0.909 0.545 CB 1.510 12 residues pruned to eliminate duplicates Z: 18 30.241 2.024 1.039 0.846 0.941 0.706 CA 1.404 18 residues pruned to eliminate duplicates Z: 25 34.046 2.241 0.936 0.611 0.958 0.667 CA 1.504 25 residues pruned to eliminate duplicates Z: 12 13.815 2.045 0.318 0.782 0.909 0.545 CA 1.326 12 residues pruned to eliminate duplicates Z: 12 22.188 2.082 0.726 0.826 1.000 0.636 CA 1.404 12 residues pruned to eliminate duplicates Z: 12 23.798 2.193 0.796 0.840 0.909 0.545 CA 1.495 Z: 15 26.948 2.105 0.876 0.886 1.000 0.571 CB 1.315 15 residues pruned to eliminate duplicates Z: 11 20.845 2.051 1.061 0.794 0.900 0.500 CB 1.339 11 residues pruned to eliminate duplicates Z: 54 38.530 2.125 0.798 0.427 0.925 0.547 CB 1.617 50 residues pruned to eliminate duplicates Z: 12 15.847 2.017 0.341 0.813 1.000 0.727 CA 1.345 12 residues pruned to eliminate duplicates Z: 11 20.387 2.022 1.097 0.789 0.900 0.600 CB 1.311 11 residues pruned to eliminate duplicates Z: 10 12.336 1.938 0.659 0.628 0.889 0.556 CA 1.276 10 residues pruned to eliminate duplicates Z: 12 14.813 2.034 0.499 0.789 0.909 0.455 CA 1.251 12 residues pruned to eliminate duplicates Z: 22 26.169 2.098 0.849 0.559 0.905 0.619 CB 1.536 Z: 13 21.093 2.020 0.612 0.933 1.000 0.917 CA 1.305 13 residues pruned to eliminate duplicates Z: 12 10.520 1.915 0.426 0.432 0.909 0.727 CB 1.371 Z: 11 21.316 2.242 0.583 0.832 1.000 0.600 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 15.299 2.106 0.277 0.794 1.000 0.600 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 28.529 2.066 1.163 0.860 1.000 1.000 CA 1.484 9 residues pruned to eliminate duplicates Z: 127 56.595 2.116 0.835 0.537 0.889 0.627 CB 1.409 126 residues pruned to eliminate duplicates Z: 7 12.656 2.158 0.870 0.634 0.833 0.833 CA 1.354 12 residues pruned to eliminate duplicates Z: 13 25.982 2.150 0.872 0.873 1.000 0.750 CA 1.357 13 residues pruned to eliminate duplicates Z: 8 14.386 2.016 0.254 0.910 1.000 1.000 CB 1.525 8 residues pruned to eliminate duplicates Z: 12 9.282 1.916 0.306 0.691 0.727 0.545 CA 1.291 12 residues pruned to eliminate duplicates Z: 10 16.061 2.124 0.748 0.801 0.889 0.667 CA 1.247 10 residues pruned to eliminate duplicates Z: 12 19.469 2.258 0.899 0.859 0.818 0.545 CA 1.232 12 residues pruned to eliminate duplicates Z: 10 13.464 1.908 0.368 0.895 1.000 1.000 CB 1.232 10 residues pruned to eliminate duplicates Z: 12 19.108 1.878 0.682 0.871 1.000 0.727 CA 1.329 Z: 18 24.030 1.936 0.947 0.821 0.941 0.588 CB 1.244 18 residues pruned to eliminate duplicates Z: 14 16.259 1.857 0.623 0.850 1.000 0.692 CB 1.108 14 residues pruned to eliminate duplicates Z: 11 19.861 2.223 0.399 0.882 1.000 0.800 CA 1.461 11 residues pruned to eliminate duplicates Z: 10 14.772 2.041 0.360 0.902 1.000 0.778 CB 1.265 Z: 11 18.600 2.033 0.492 0.837 1.000 0.700 CA 1.451 11 residues pruned to eliminate duplicates Z: 9 9.536 1.884 0.668 0.609 0.750 0.750 CA 1.291 Z: 122 63.338 2.128 0.794 0.607 0.934 0.587 CB 1.458 81 residues pruned to eliminate duplicates Z: 66 36.291 2.095 0.662 0.413 0.923 0.477 CB 1.534 66 residues pruned to eliminate duplicates Z: 15 21.758 1.997 0.610 0.903 1.000 0.571 CA 1.289 15 residues pruned to eliminate duplicates Z: 6 4.703 1.659 0.444 0.602 0.800 0.400 O 0.996 6 residues pruned to eliminate duplicates Z: 33 34.678 2.074 1.050 0.624 0.875 0.469 CB 1.466 33 residues pruned to eliminate duplicates Z: 11 14.400 1.900 0.185 0.923 1.000 1.000 CB 1.421 11 residues pruned to eliminate duplicates Z: 15 22.830 2.077 0.590 0.811 0.929 0.714 CA 1.518 15 residues pruned to eliminate duplicates Z: 15 24.420 1.965 0.911 0.922 0.929 0.786 CA 1.316 15 residues pruned to eliminate duplicates Z: 14 18.146 2.019 0.551 0.838 0.923 0.846 CB 1.301 14 residues pruned to eliminate duplicates Z: 133 62.348 2.167 0.720 0.566 0.924 0.591 CB 1.479 133 residues pruned to eliminate duplicates Z: 7 9.745 1.874 0.450 0.802 0.833 0.667 CA 1.350 7 residues pruned to eliminate duplicates Z: 13 16.363 1.814 0.697 0.798 0.917 0.583 CB 1.289 13 residues pruned to eliminate duplicates Z: 10 32.328 2.086 1.535 0.876 1.000 0.556 CB 1.481 12 residues pruned to eliminate duplicates Z: 21 14.044 2.057 0.506 0.307 0.850 0.450 CA 1.477 18 residues pruned to eliminate duplicates Z: 15 27.920 2.179 0.849 0.844 0.857 0.643 CA 1.608 15 residues pruned to eliminate duplicates Z: 12 15.561 1.784 0.470 0.877 1.000 1.000 CA 1.300 12 residues pruned to eliminate duplicates Z: 120 60.904 2.124 0.828 0.598 0.908 0.588 CB 1.444 120 residues pruned to eliminate duplicates Z: 15 16.348 1.933 0.351 0.921 0.929 0.929 CB 1.268 15 residues pruned to eliminate duplicates Z: 12 14.970 1.802 0.326 0.932 1.000 0.909 CB 1.319 12 residues pruned to eliminate duplicates Z: 14 20.639 2.042 0.861 0.890 0.923 0.615 CB 1.174 14 residues pruned to eliminate duplicates Z: 13 13.463 1.699 0.896 0.674 0.917 0.417 CA 1.121 13 residues pruned to eliminate duplicates Z: 47 31.781 2.133 0.871 0.408 0.870 0.435 CB 1.487 47 residues pruned to eliminate duplicates Z: 14 16.973 1.866 0.582 0.880 1.000 0.846 CB 1.156 14 residues pruned to eliminate duplicates Z: 11 25.974 2.097 1.370 0.843 0.900 0.800 CB 1.367 10 residues pruned to eliminate duplicates Z: 35 29.346 2.082 0.791 0.434 0.941 0.559 CB 1.534 35 residues pruned to eliminate duplicates Z: 11 15.185 1.944 0.346 0.769 1.000 0.600 CA 1.447 11 residues pruned to eliminate duplicates Z: 34 25.584 2.089 0.673 0.389 0.939 0.545 CB 1.525 34 residues pruned to eliminate duplicates Z: 13 15.453 1.881 0.630 0.739 0.833 0.500 CA 1.409 13 residues pruned to eliminate duplicates Z: 109 53.593 2.066 0.860 0.558 0.889 0.602 CB 1.427 108 residues pruned to eliminate duplicates Z: 24 24.137 2.102 0.881 0.515 0.826 0.609 CA 1.519 18 residues pruned to eliminate duplicates Z: 11 12.566 2.187 0.090 0.885 0.800 0.700 CA 1.504 11 residues pruned to eliminate duplicates Z: 11 11.353 1.958 0.565 0.554 0.900 0.500 CB 1.235 8 residues pruned to eliminate duplicates Z: 13 21.902 2.164 0.845 0.896 0.917 0.833 CB 1.237 13 residues pruned to eliminate duplicates Z: 110 58.880 2.119 0.772 0.606 0.927 0.587 CB 1.466 111 residues pruned to eliminate duplicates Z: 13 10.597 1.862 0.289 0.789 0.917 0.750 CA 1.079 13 residues pruned to eliminate duplicates Z: 14 32.298 2.243 0.852 0.902 0.923 0.692 CA 1.666 14 residues pruned to eliminate duplicates Z: 24 30.533 2.178 0.802 0.590 1.000 0.652 CB 1.489 24 residues pruned to eliminate duplicates Z: 22 25.167 2.108 0.762 0.583 0.905 0.524 CB 1.508 11 residues pruned to eliminate duplicates Z: 10 22.743 2.132 0.851 0.912 1.000 0.889 CA 1.361 10 residues pruned to eliminate duplicates Z: 12 10.788 1.783 0.227 0.868 0.909 0.636 CB 1.195 12 residues pruned to eliminate duplicates Z: 6 2.934 1.561 0.533 0.299 0.600 0.600 CB 1.144 Z: 12 22.246 2.096 0.734 0.886 1.000 0.818 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 20.668 2.126 0.571 0.906 1.000 0.833 CB 1.270 13 residues pruned to eliminate duplicates Z: 13 17.311 2.216 1.008 0.898 0.917 0.750 CB 0.876 13 residues pruned to eliminate duplicates Z: 13 15.692 1.832 0.548 0.813 0.917 0.667 CA 1.327 13 residues pruned to eliminate duplicates Z: 61 38.173 2.090 0.707 0.500 0.933 0.583 CB 1.479 61 residues pruned to eliminate duplicates Z: 33 29.456 2.005 0.687 0.606 0.938 0.625 CA 1.485 34 residues pruned to eliminate duplicates Z: 46 32.746 2.048 0.744 0.532 0.889 0.511 CB 1.491 46 residues pruned to eliminate duplicates Z: 38 26.073 1.966 0.731 0.542 0.892 0.595 CB 1.356 41 residues pruned to eliminate duplicates Z: 30 26.028 2.089 0.922 0.432 0.897 0.517 CB 1.441 30 residues pruned to eliminate duplicates Z: 57 32.586 2.119 0.774 0.365 0.875 0.446 CB 1.531 57 residues pruned to eliminate duplicates Z: 8 15.373 1.946 0.476 0.879 1.000 0.714 C 1.467 8 residues pruned to eliminate duplicates Z: 13 19.803 2.049 0.536 0.869 1.000 0.750 CB 1.327 13 residues pruned to eliminate duplicates Z: 13 20.180 1.850 0.766 0.874 1.000 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 8 7.865 1.890 0.378 0.754 0.714 0.571 CA 1.274 8 residues pruned to eliminate duplicates Z: 17 11.611 1.671 0.727 0.662 0.750 0.562 CB 1.155 17 residues pruned to eliminate duplicates Z: 28 21.543 2.086 0.636 0.392 0.926 0.556 CB 1.471 28 residues pruned to eliminate duplicates Z: 10 20.370 1.984 0.787 0.915 1.000 0.778 CB 1.354 10 residues pruned to eliminate duplicates Z: 11 9.360 1.942 0.326 0.409 1.000 0.400 CB 1.265 11 residues pruned to eliminate duplicates Z: 16 22.468 1.985 0.851 0.795 0.933 0.733 CB 1.307 16 residues pruned to eliminate duplicates Z: 56 38.505 2.128 0.806 0.417 0.927 0.545 CB 1.590 56 residues pruned to eliminate duplicates Z: 9 5.546 1.848 0.807 0.365 0.625 0.375 CB 1.086 Z: 7 6.605 1.891 0.317 0.792 0.667 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 10 13.399 1.993 0.801 0.735 0.778 0.556 CB 1.295 10 residues pruned to eliminate duplicates Z: 56 53.297 2.222 0.963 0.667 0.945 0.636 CB 1.493 56 residues pruned to eliminate duplicates Z: 81 52.471 2.103 0.850 0.634 0.913 0.663 CB 1.458 81 residues pruned to eliminate duplicates Z: 63 34.257 2.128 0.624 0.463 0.871 0.581 CB 1.502 63 residues pruned to eliminate duplicates Z: 7 7.725 1.748 0.363 0.448 1.000 0.500 CA 1.397 5 residues pruned to eliminate duplicates Z: 14 15.726 1.990 0.304 0.630 1.000 0.615 CA 1.488 14 residues pruned to eliminate duplicates Z: 38 22.399 2.022 0.670 0.395 0.865 0.568 CB 1.409 38 residues pruned to eliminate duplicates Z: 19 17.183 2.125 0.374 0.492 0.889 0.722 CB 1.572 16 residues pruned to eliminate duplicates Z: 30 28.992 2.142 0.810 0.410 0.966 0.586 CA 1.580 37 residues pruned to eliminate duplicates Z: 9 9.016 1.976 -0.110 0.872 1.000 1.000 CB 1.321 9 residues pruned to eliminate duplicates Z: 12 18.032 1.811 0.704 0.921 0.909 0.727 CA 1.364 12 residues pruned to eliminate duplicates Z: 14 21.706 1.950 0.652 0.891 1.000 0.846 CB 1.343 14 residues pruned to eliminate duplicates Z: 13 14.907 1.882 0.501 0.814 0.917 0.333 CB 1.264 13 residues pruned to eliminate duplicates Z: 9 14.884 1.862 0.758 0.771 1.000 0.500 CB 1.265 9 residues pruned to eliminate duplicates Z: 11 19.544 1.917 0.913 0.879 0.900 0.700 CA 1.358 11 residues pruned to eliminate duplicates Z: 9 7.884 1.745 0.399 0.714 0.875 0.875 CB 1.075 9 residues pruned to eliminate duplicates Z: 13 20.347 1.717 0.736 0.888 1.000 0.667 N 1.420 13 residues pruned to eliminate duplicates Z: 15 17.382 2.086 0.877 0.881 0.929 0.857 CB 0.925 15 residues pruned to eliminate duplicates Z: 17 30.066 2.029 1.086 0.852 0.938 0.812 CA 1.402 17 residues pruned to eliminate duplicates Z: 10 17.029 1.783 0.946 0.812 1.000 0.778 CA 1.248 10 residues pruned to eliminate duplicates Z: 13 19.875 1.862 0.564 0.916 1.000 1.000 CB 1.391 13 residues pruned to eliminate duplicates Z: 13 15.229 2.013 0.557 0.850 0.917 0.417 CB 1.133 13 residues pruned to eliminate duplicates Z: 9 4.900 1.693 0.426 0.353 0.750 0.500 CA 1.122 7 residues pruned to eliminate duplicates Z: 122 57.197 2.096 0.788 0.583 0.917 0.537 CB 1.396 122 residues pruned to eliminate duplicates Z: 13 18.008 1.894 0.782 0.887 0.833 0.583 CB 1.332 13 residues pruned to eliminate duplicates Z: 8 13.442 1.844 0.383 0.877 1.000 1.000 CB 1.446 8 residues pruned to eliminate duplicates Z: 11 7.411 1.996 0.698 0.822 0.700 0.400 CB 0.747 11 residues pruned to eliminate duplicates Z: 11 23.807 2.087 1.135 0.880 1.000 0.800 CA 1.224 11 residues pruned to eliminate duplicates Z: 13 10.071 1.984 0.433 0.619 0.667 0.417 CB 1.370 13 residues pruned to eliminate duplicates Z: 13 9.795 2.041 0.087 0.745 0.917 0.750 CB 1.117 13 residues pruned to eliminate duplicates Z: 17 24.992 1.970 1.054 0.803 0.938 0.812 CB 1.264 17 residues pruned to eliminate duplicates Z: 11 14.650 2.006 0.701 0.574 1.000 0.600 CA 1.263 12 residues pruned to eliminate duplicates Z: 14 19.020 2.057 0.639 0.929 0.923 0.692 CB 1.186 14 residues pruned to eliminate duplicates Z: 69 35.167 2.122 0.598 0.447 0.912 0.618 CB 1.457 69 residues pruned to eliminate duplicates Z: 17 18.039 1.905 0.638 0.801 0.938 0.750 CB 1.184 17 residues pruned to eliminate duplicates Z: 23 31.298 2.078 1.058 0.627 1.000 0.773 CA 1.385 25 residues pruned to eliminate duplicates Z: 58 34.918 2.112 0.648 0.479 0.930 0.596 CB 1.460 58 residues pruned to eliminate duplicates Z: 12 12.170 1.924 0.418 0.706 0.818 0.545 CB 1.362 12 residues pruned to eliminate duplicates Z: 14 16.250 2.035 0.418 0.625 1.000 0.769 CA 1.388 14 residues pruned to eliminate duplicates Z: 24 17.271 1.894 0.884 0.548 0.826 0.435 CB 1.166 24 residues pruned to eliminate duplicates Z: 11 8.576 2.012 0.830 0.357 0.600 0.500 CB 1.433 11 residues pruned to eliminate duplicates Z: 9 12.213 2.167 0.251 0.875 1.000 1.000 CA 1.159 9 residues pruned to eliminate duplicates Z: 13 14.990 1.983 0.180 0.834 1.000 0.750 CA 1.386 13 residues pruned to eliminate duplicates Z: 9 4.623 1.848 0.384 0.322 0.750 0.375 CB 1.036 9 residues pruned to eliminate duplicates Z: 7 11.665 2.025 0.827 0.624 1.000 0.667 CA 1.145 7 residues pruned to eliminate duplicates Z: 11 16.180 1.871 0.672 0.873 0.900 0.900 CB 1.324 11 residues pruned to eliminate duplicates Z: 70 53.914 2.130 0.921 0.651 0.942 0.551 CB 1.464 70 residues pruned to eliminate duplicates Z: 11 12.371 1.943 0.585 0.781 1.000 0.700 CB 0.992 11 residues pruned to eliminate duplicates Z: 14 16.408 2.071 0.789 0.914 0.923 0.769 CB 0.941 14 residues pruned to eliminate duplicates Z: 66 30.888 2.043 0.694 0.417 0.846 0.492 CB 1.428 66 residues pruned to eliminate duplicates Z: 23 23.945 2.152 0.489 0.515 1.000 0.682 CB 1.569 24 residues pruned to eliminate duplicates Z: 18 22.622 1.978 0.654 0.802 0.941 0.647 CA 1.369 18 residues pruned to eliminate duplicates Z: 16 19.212 1.899 0.543 0.893 0.933 0.867 CA 1.302 16 residues pruned to eliminate duplicates Z: 36 24.205 2.081 0.794 0.386 0.857 0.543 CB 1.444 36 residues pruned to eliminate duplicates Z: 8 5.951 1.256 0.900 0.746 0.857 0.714 C 0.883 8 residues pruned to eliminate duplicates Z: 11 14.824 2.012 0.716 0.530 1.000 0.700 CB 1.318 11 residues pruned to eliminate duplicates Z: 15 8.760 1.571 0.727 0.398 0.857 0.429 CB 1.122 14 residues pruned to eliminate duplicates Z: 14 17.824 1.778 0.595 0.899 1.000 0.846 CB 1.246 14 residues pruned to eliminate duplicates Z: 17 23.425 1.995 0.780 0.861 0.938 0.688 CA 1.293 17 residues pruned to eliminate duplicates Z: 9 12.405 1.906 0.954 0.507 1.000 0.750 CA 1.169 9 residues pruned to eliminate duplicates Z: 11 20.702 2.063 0.684 0.786 1.000 0.400 CA 1.464 11 residues pruned to eliminate duplicates Z: 17 20.729 1.953 0.912 0.835 0.875 0.562 CB 1.188 17 residues pruned to eliminate duplicates Z: 9 10.836 1.748 0.580 0.778 1.000 0.750 CA 1.085 9 residues pruned to eliminate duplicates Z: 12 18.775 1.992 0.876 0.881 0.909 0.636 CB 1.207 10 residues pruned to eliminate duplicates Z: 97 44.033 2.101 0.726 0.540 0.906 0.562 CB 1.314 97 residues pruned to eliminate duplicates Z: 12 22.060 2.104 0.585 0.895 1.000 0.727 CA 1.430 12 residues pruned to eliminate duplicates Z: 13 18.623 1.739 0.734 0.915 1.000 0.833 CB 1.260 13 residues pruned to eliminate duplicates Z: 26 18.779 1.910 0.905 0.469 0.840 0.520 CB 1.268 26 residues pruned to eliminate duplicates Z: 10 7.431 1.531 0.352 0.879 0.889 0.778 CB 0.976 Z: 40 22.087 2.047 0.718 0.331 0.821 0.436 CA 1.476 40 residues pruned to eliminate duplicates Z: 12 21.779 2.211 0.528 0.811 1.000 0.818 CB 1.482 12 residues pruned to eliminate duplicates Z: 11 15.109 2.078 0.179 0.751 1.000 0.500 CA 1.560 11 residues pruned to eliminate duplicates Z: 10 8.162 1.518 0.547 0.816 1.000 0.889 CB 0.880 10 residues pruned to eliminate duplicates Z: 10 6.904 1.877 0.249 0.827 0.778 0.444 CB 0.951 10 residues pruned to eliminate duplicates Z: 55 43.519 2.089 0.884 0.676 0.926 0.519 CB 1.382 55 residues pruned to eliminate duplicates Z: 14 17.469 1.778 0.571 0.818 1.000 0.769 CB 1.316 14 residues pruned to eliminate duplicates Z: 50 36.346 2.154 0.708 0.456 0.959 0.551 CB 1.538 50 residues pruned to eliminate duplicates Z: 14 15.570 2.126 0.934 0.850 0.923 0.385 CB 0.843 14 residues pruned to eliminate duplicates Z: 19 9.706 1.882 0.491 0.371 0.778 0.611 CB 1.203 19 residues pruned to eliminate duplicates Z: 18 23.165 1.919 0.850 0.836 0.941 0.706 CB 1.259 18 residues pruned to eliminate duplicates Z: 47 38.111 2.145 0.831 0.669 0.891 0.739 CB 1.373 47 residues pruned to eliminate duplicates Z: 111 57.286 2.102 0.850 0.546 0.900 0.573 CB 1.492 111 residues pruned to eliminate duplicates Z: 12 12.818 1.779 1.009 0.541 0.909 0.818 CB 1.142 12 residues pruned to eliminate duplicates Z: 10 12.520 1.817 0.325 0.876 1.000 0.667 CB 1.259 10 residues pruned to eliminate duplicates Z: 18 23.361 2.159 0.815 0.590 0.882 0.588 CB 1.503 18 residues pruned to eliminate duplicates Z: 8 10.400 1.596 0.760 0.525 1.000 0.571 N 1.366 Z: 83 55.478 2.149 0.806 0.685 0.939 0.646 CB 1.419 83 residues pruned to eliminate duplicates Z: 32 23.966 2.140 0.625 0.359 0.903 0.613 CB 1.596 32 residues pruned to eliminate duplicates Z: 11 15.753 1.963 0.772 0.908 0.800 0.600 CB 1.271 11 residues pruned to eliminate duplicates Z: 12 12.965 2.062 0.182 0.807 0.909 0.727 CB 1.349 12 residues pruned to eliminate duplicates Z: 6 7.732 1.894 0.602 0.615 0.800 0.800 CA 1.278 6 residues pruned to eliminate duplicates Z: 12 17.384 1.903 0.510 0.860 1.000 0.909 CA 1.341 12 residues pruned to eliminate duplicates Z: 22 17.213 1.886 0.455 0.572 0.952 0.714 CB 1.340 14 residues pruned to eliminate duplicates Z: 34 24.976 2.072 0.618 0.420 0.909 0.455 CB 1.551 34 residues pruned to eliminate duplicates Z: 17 10.927 1.886 0.181 0.527 0.938 0.625 CB 1.274 17 residues pruned to eliminate duplicates Z: 20 25.351 2.053 0.875 0.570 0.947 0.684 CA 1.491 20 residues pruned to eliminate duplicates Z: 15 27.724 2.194 0.770 0.882 0.857 0.500 CA 1.610 15 residues pruned to eliminate duplicates Z: 9 18.697 2.215 0.419 0.868 1.000 0.625 CB 1.537 9 residues pruned to eliminate duplicates Z: 110 48.887 2.004 0.769 0.528 0.908 0.569 CB 1.414 110 residues pruned to eliminate duplicates Z: 10 19.296 2.047 0.851 0.923 0.889 0.889 CB 1.343 10 residues pruned to eliminate duplicates Z: 23 22.731 2.032 0.657 0.537 0.955 0.591 CA 1.454 23 residues pruned to eliminate duplicates Z: 6 4.732 1.807 0.174 0.393 0.800 0.600 CA 1.396 Z: 13 17.139 2.153 0.694 0.893 0.917 0.917 CB 1.063 13 residues pruned to eliminate duplicates Z: 13 14.504 1.733 0.608 0.907 1.000 1.000 CB 1.068 13 residues pruned to eliminate duplicates Z: 23 17.787 1.999 0.812 0.339 0.864 0.591 CB 1.446 23 residues pruned to eliminate duplicates Z: 6 4.897 1.529 0.457 0.683 0.800 0.800 N 1.039 6 residues pruned to eliminate duplicates Z: 22 19.806 2.171 0.517 0.394 0.905 0.571 CA 1.621 22 residues pruned to eliminate duplicates Z: 11 16.066 1.868 0.690 0.825 1.000 0.600 CA 1.215 11 residues pruned to eliminate duplicates Z: 19 14.776 1.875 0.620 0.538 0.778 0.333 CB 1.420 19 residues pruned to eliminate duplicates Z: 16 18.669 1.960 1.023 0.885 1.000 0.733 CB 0.878 16 residues pruned to eliminate duplicates Z: 12 17.483 1.942 0.841 0.860 0.909 0.636 CA 1.193 12 residues pruned to eliminate duplicates Z: 13 17.155 1.716 0.655 0.879 1.000 0.833 CB 1.265 13 residues pruned to eliminate duplicates Z: 49 33.206 2.088 0.829 0.420 0.896 0.438 CB 1.522 49 residues pruned to eliminate duplicates Z: 8 5.425 1.877 -0.160 0.710 1.000 0.714 CB 1.075 Z: 43 28.754 2.095 0.718 0.404 0.905 0.476 CB 1.507 43 residues pruned to eliminate duplicates Z: 11 11.026 1.902 0.214 0.871 1.000 0.900 CA 1.101 11 residues pruned to eliminate duplicates Z: 10 9.064 1.560 0.330 0.805 1.000 0.667 CB 1.116 9 residues pruned to eliminate duplicates Z: 6 7.965 1.812 0.404 0.864 0.800 0.600 CB 1.284 6 residues pruned to eliminate duplicates Z: 10 12.327 1.897 0.195 0.856 1.000 0.889 CB 1.337 10 residues pruned to eliminate duplicates Z: 8 3.508 1.644 -0.004 0.206 0.857 0.286 N 1.338 Z: 7 2.365 1.377 0.225 0.275 0.667 0.500 O 1.108 Z: 7 14.757 2.010 0.646 0.821 1.000 0.667 CA 1.378 7 residues pruned to eliminate duplicates Z: 9 11.308 1.925 0.698 0.577 0.750 0.500 CA 1.515 8 residues pruned to eliminate duplicates Z: 19 23.489 1.931 0.860 0.827 0.944 0.722 CA 1.229 19 residues pruned to eliminate duplicates Z: 12 19.753 1.825 0.769 0.891 0.909 0.909 CA 1.459 13 residues pruned to eliminate duplicates Z: 21 25.119 2.082 1.063 0.664 0.900 0.600 CB 1.248 21 residues pruned to eliminate duplicates Z: 10 10.279 1.798 0.614 0.869 0.889 0.444 CB 0.970 9 residues pruned to eliminate duplicates Z: 39 30.796 2.044 0.887 0.426 0.947 0.579 CB 1.477 39 residues pruned to eliminate duplicates Z: 6 3.504 1.573 -0.179 0.775 1.000 0.600 CB 0.951 Z: 14 15.916 1.752 0.708 0.868 0.923 0.692 CB 1.168 14 residues pruned to eliminate duplicates Z: 12 14.629 1.986 0.390 0.795 0.909 0.818 CA 1.358 12 residues pruned to eliminate duplicates Z: 6 6.838 1.401 0.792 0.689 1.000 0.600 CA 1.025 6 residues pruned to eliminate duplicates Z: 6 2.370 1.060 0.749 0.468 0.800 0.400 CB 0.738 Z: 42 25.054 1.982 0.568 0.537 0.902 0.585 CB 1.345 42 residues pruned to eliminate duplicates Z: 10 20.472 1.995 0.889 0.917 1.000 0.667 CB 1.278 11 residues pruned to eliminate duplicates Z: 52 28.693 1.887 0.619 0.551 0.922 0.608 CB 1.357 96 residues pruned to eliminate duplicates Z: 13 18.902 1.912 0.574 0.901 1.000 0.750 CA 1.294 13 residues pruned to eliminate duplicates Z: 15 18.448 1.790 0.584 0.848 1.000 0.714 CB 1.291 15 residues pruned to eliminate duplicates Z: 15 22.192 1.963 0.836 0.860 0.929 0.286 CB 1.303 15 residues pruned to eliminate duplicates Z: 13 14.092 1.970 0.355 0.630 1.000 0.500 CB 1.348 13 residues pruned to eliminate duplicates Z: 49 37.805 2.148 0.809 0.454 0.938 0.562 CB 1.570 49 residues pruned to eliminate duplicates Z: 17 18.874 1.891 0.714 0.830 0.938 0.562 CB 1.167 17 residues pruned to eliminate duplicates Z: 11 15.657 2.092 0.414 0.779 0.900 0.500 CA 1.454 11 residues pruned to eliminate duplicates Z: 11 17.395 2.039 0.946 0.872 0.800 0.400 CA 1.263 11 residues pruned to eliminate duplicates Z: 12 18.069 1.971 0.482 0.830 1.000 0.545 CA 1.402 12 residues pruned to eliminate duplicates Z: 12 18.083 1.930 0.486 0.836 1.000 0.818 CA 1.423 12 residues pruned to eliminate duplicates Z: 12 19.039 1.821 0.725 0.915 1.000 0.636 CB 1.292 12 residues pruned to eliminate duplicates Z: 7 3.904 1.552 0.496 0.455 0.833 0.500 N 0.862 Z: 15 17.490 1.759 0.644 0.855 0.929 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 8 13.157 1.993 0.368 0.846 1.000 0.857 CB 1.355 8 residues pruned to eliminate duplicates Z: 14 23.932 1.984 0.760 0.904 1.000 0.692 CA 1.354 14 residues pruned to eliminate duplicates Z: 8 12.930 2.189 0.193 0.772 1.000 0.571 CB 1.471 8 residues pruned to eliminate duplicates Z: 33 17.742 1.912 0.506 0.525 0.875 0.656 CB 1.215 33 residues pruned to eliminate duplicates Z: 13 18.702 1.841 0.608 0.879 0.917 0.833 CA 1.443 13 residues pruned to eliminate duplicates Z: 11 13.447 1.904 0.408 0.932 0.900 0.900 CB 1.231 11 residues pruned to eliminate duplicates Z: 8 10.529 1.884 0.619 0.515 0.857 0.429 CA 1.500 8 residues pruned to eliminate duplicates Z: 25 19.711 1.918 0.670 0.539 0.875 0.500 CA 1.382 25 residues pruned to eliminate duplicates Z: 31 28.385 2.172 0.758 0.422 0.933 0.533 CA 1.578 31 residues pruned to eliminate duplicates Z: 14 21.433 2.182 0.443 0.862 0.923 0.769 CA 1.501 14 residues pruned to eliminate duplicates Z: 13 14.605 1.814 0.379 0.839 1.000 0.833 CB 1.259 13 residues pruned to eliminate duplicates Z: 8 8.236 1.762 0.658 0.585 1.000 0.571 CB 0.982 8 residues pruned to eliminate duplicates Z: 16 11.763 1.983 0.187 0.669 0.867 0.600 CB 1.275 16 residues pruned to eliminate duplicates Z: 12 15.588 1.781 0.819 0.817 0.909 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 12 25.490 2.032 0.975 0.909 0.909 0.818 CA 1.495 12 residues pruned to eliminate duplicates Z: 61 36.712 2.107 0.679 0.453 0.933 0.600 CB 1.506 59 residues pruned to eliminate duplicates Z: 14 16.313 1.849 0.585 0.876 0.923 0.769 CB 1.216 14 residues pruned to eliminate duplicates Z: 8 11.528 1.815 0.701 0.773 0.857 0.857 CB 1.293 8 residues pruned to eliminate duplicates Z: 8 5.783 1.618 0.384 0.459 1.000 0.571 CA 1.018 9 residues pruned to eliminate duplicates Z: 10 22.485 2.047 1.071 0.851 1.000 0.556 CB 1.309 10 residues pruned to eliminate duplicates Z: 11 2.904 1.381 0.365 0.228 0.800 0.500 CB 0.837 Z: 12 7.138 1.421 0.506 0.440 0.909 0.636 N 1.178 11 residues pruned to eliminate duplicates Z: 7 4.732 1.706 -0.199 0.788 1.000 0.833 CB 1.098 6 residues pruned to eliminate duplicates Z: 10 5.323 1.937 0.006 0.379 1.000 0.667 CB 1.036 Z: 61 33.793 2.119 0.653 0.413 0.933 0.600 CB 1.462 61 residues pruned to eliminate duplicates Z: 9 15.443 1.798 1.243 0.728 0.875 0.625 CB 1.261 9 residues pruned to eliminate duplicates Z: 14 13.544 1.956 0.784 0.855 0.846 0.538 CB 0.939 14 residues pruned to eliminate duplicates Z: 6 5.931 1.654 0.068 0.729 1.000 1.000 CB 1.222 Z: 67 38.343 2.083 0.765 0.470 0.909 0.561 CB 1.455 67 residues pruned to eliminate duplicates Z: 58 34.605 2.103 0.753 0.630 0.807 0.667 CB 1.363 58 residues pruned to eliminate duplicates Z: 16 25.812 2.036 0.768 0.831 0.933 0.533 CA 1.490 16 residues pruned to eliminate duplicates Z: 18 29.056 1.950 0.998 0.828 1.000 0.647 CA 1.362 18 residues pruned to eliminate duplicates Z: 39 27.955 1.967 0.789 0.536 0.921 0.447 CB 1.350 39 residues pruned to eliminate duplicates Z: 19 19.701 2.006 0.745 0.553 0.833 0.556 CA 1.512 7 residues pruned to eliminate duplicates Z: 9 11.398 1.782 0.689 0.521 0.875 0.500 CA 1.499 9 residues pruned to eliminate duplicates Z: 12 24.281 2.163 0.879 0.789 0.909 0.818 CA 1.537 12 residues pruned to eliminate duplicates Z: 19 15.630 1.862 0.607 0.614 0.889 0.611 CB 1.244 19 residues pruned to eliminate duplicates Z: 22 22.638 2.044 0.792 0.415 0.952 0.571 CA 1.548 22 residues pruned to eliminate duplicates Z: 12 13.375 1.772 0.448 0.859 0.909 0.909 CA 1.273 12 residues pruned to eliminate duplicates Z: 7 4.284 1.630 0.118 0.547 0.833 0.500 CB 1.100 6 1.334 1.422 -0.139 0.392 0.600 0.400 CB 0.910 ? Z: 31 40.661 2.147 1.034 0.771 0.900 0.533 CB 1.486 31 residues pruned to eliminate duplicates 9 1.962 1.452 0.190 0.475 0.750 0.375 CB 0.549 ? Z: 21 14.884 1.901 0.305 0.556 0.950 0.600 CB 1.336 10 residues pruned to eliminate duplicates Z: 13 11.612 1.671 0.534 0.784 0.917 0.417 CB 1.111 13 residues pruned to eliminate duplicates Z: 6 5.294 1.783 0.968 0.550 0.800 0.600 CB 0.803 Z: 22 22.526 2.078 0.750 0.554 0.857 0.762 CB 1.496 20 residues pruned to eliminate duplicates Z: 11 17.439 2.009 0.782 0.919 0.900 0.500 CB 1.207 11 residues pruned to eliminate duplicates Z: 49 26.813 2.081 0.708 0.362 0.854 0.583 CB 1.478 49 residues pruned to eliminate duplicates Z: 65 36.689 2.104 0.742 0.443 0.906 0.594 CB 1.464 66 residues pruned to eliminate duplicates Z: 14 22.848 1.732 0.932 0.918 1.000 1.000 CA 1.336 13 residues pruned to eliminate duplicates Z: 9 10.919 2.034 0.547 0.834 0.875 0.750 CB 1.050 9 residues pruned to eliminate duplicates Z: 65 47.544 2.121 0.817 0.672 0.906 0.625 CB 1.452 65 residues pruned to eliminate duplicates Z: 23 14.534 1.995 0.485 0.388 0.773 0.500 CA 1.525 23 residues pruned to eliminate duplicates Z: 13 14.858 1.858 0.301 0.903 1.000 0.917 CA 1.265 13 residues pruned to eliminate duplicates Z: 11 20.295 2.112 0.655 0.771 1.000 0.300 CA 1.444 11 residues pruned to eliminate duplicates Z: 14 15.736 1.832 0.652 0.743 0.923 0.692 CA 1.256 14 residues pruned to eliminate duplicates Z: 20 18.020 1.892 0.461 0.588 1.000 0.579 CB 1.374 20 residues pruned to eliminate duplicates Z: 25 19.979 1.957 0.592 0.544 0.917 0.583 CB 1.368 25 residues pruned to eliminate duplicates Z: 28 17.735 1.955 0.779 0.443 0.778 0.407 CB 1.339 28 residues pruned to eliminate duplicates 8 1.990 1.377 -0.169 0.560 0.857 0.714 CB 0.723 ? Z: 25 19.032 1.948 0.796 0.371 0.917 0.542 CB 1.391 25 residues pruned to eliminate duplicates Z: 16 13.185 1.978 0.474 0.465 0.933 0.667 CA 1.297 16 residues pruned to eliminate duplicates Z: 13 22.599 2.021 1.021 0.785 0.833 0.750 CB 1.492 13 residues pruned to eliminate duplicates Z: 32 22.952 2.050 0.581 0.515 0.806 0.548 CA 1.554 32 residues pruned to eliminate duplicates Z: 32 25.854 2.045 0.695 0.592 0.871 0.581 CB 1.409 32 residues pruned to eliminate duplicates Z: 39 26.534 2.081 0.576 0.566 0.868 0.632 CB 1.419 44 residues pruned to eliminate duplicates Z: 13 16.622 1.750 0.500 0.920 1.000 1.000 CB 1.287 13 residues pruned to eliminate duplicates Z: 8 6.702 1.768 0.460 0.634 0.714 0.429 CB 1.212 Z: 50 34.722 2.057 0.583 0.654 0.939 0.571 CA 1.407 50 residues pruned to eliminate duplicates Z: 12 13.668 1.652 0.641 0.858 0.909 0.455 CA 1.231 12 residues pruned to eliminate duplicates Z: 9 11.705 1.808 0.857 0.689 0.875 0.625 CB 1.185 9 residues pruned to eliminate duplicates Z: 13 20.532 1.876 0.712 0.904 1.000 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 9 2.912 1.604 0.430 0.218 0.750 0.375 CB 0.834 Z: 11 8.483 1.471 0.439 0.734 1.000 0.700 CB 1.027 Z: 6 3.455 1.256 0.235 0.715 0.800 0.600 N 1.024 Z: 11 14.618 1.768 0.452 0.702 1.000 0.800 CB 1.498 11 residues pruned to eliminate duplicates Z: 10 17.690 1.982 0.870 0.911 1.000 0.778 CB 1.127 10 residues pruned to eliminate duplicates Z: 7 4.757 1.525 0.697 0.248 0.833 0.333 CB 1.205 Z: 6 12.554 1.850 1.107 0.785 1.000 0.800 CA 1.121 6 residues pruned to eliminate duplicates Z: 68 33.965 2.107 0.543 0.466 0.896 0.537 CB 1.475 68 residues pruned to eliminate duplicates Z: 9 6.662 1.621 0.283 0.597 1.000 0.500 CB 1.033 9 residues pruned to eliminate duplicates Z: 11 16.041 1.823 0.574 0.869 1.000 0.900 CB 1.291 11 residues pruned to eliminate duplicates Z: 9 8.979 1.889 0.185 0.811 1.000 0.875 CA 1.082 9 residues pruned to eliminate duplicates Z: 68 32.920 1.969 0.582 0.572 0.910 0.642 CB 1.322 69 residues pruned to eliminate duplicates Z: 11 13.576 1.674 1.005 0.866 1.000 0.700 CB 0.936 11 residues pruned to eliminate duplicates Z: 10 20.057 2.188 0.966 0.800 0.889 0.556 CA 1.345 10 residues pruned to eliminate duplicates Z: 14 15.456 1.898 0.908 0.494 0.923 0.769 CA 1.290 14 residues pruned to eliminate duplicates Z: 6 4.739 1.639 0.234 0.532 0.800 0.600 CB 1.269 6 residues pruned to eliminate duplicates Z: 13 21.177 1.842 0.823 0.908 1.000 0.583 CB 1.293 13 residues pruned to eliminate duplicates Z: 12 12.051 1.766 0.236 0.888 0.909 0.909 CB 1.320 12 residues pruned to eliminate duplicates Z: 22 12.513 1.669 0.308 0.511 0.952 0.619 CB 1.298 22 residues pruned to eliminate duplicates Z: 8 13.078 1.723 0.952 0.721 1.000 0.714 CB 1.203 8 residues pruned to eliminate duplicates Z: 12 10.205 1.983 0.537 0.355 0.909 0.636 CB 1.298 12 residues pruned to eliminate duplicates Z: 18 12.139 1.725 0.845 0.501 0.765 0.471 CA 1.209 18 residues pruned to eliminate duplicates Z: 7 6.736 1.627 0.434 0.619 0.833 0.667 CA 1.264 7 residues pruned to eliminate duplicates Z: 9 4.418 1.351 0.697 0.569 0.750 0.375 N 0.849 Using tripeptides from previous cycle as seeds Z: 6 3.110 1.367 0.845 0.504 0.800 0.800 C 0.687 6 residues pruned to eliminate duplicates Z: 7 16.033 2.188 0.832 0.624 1.000 0.500 CA 1.453 7 residues pruned to eliminate duplicates Z: 7 11.398 2.012 0.987 0.509 0.833 0.500 N 1.383 7 residues pruned to eliminate duplicates Z: 23 29.357 2.127 1.081 0.536 0.864 0.545 CA 1.580 25 residues pruned to eliminate duplicates Z: 7 7.077 1.553 0.765 0.768 0.833 0.667 CA 0.998 7 residues pruned to eliminate duplicates Z: 67 51.522 2.185 0.889 0.641 0.879 0.455 CB 1.532 67 residues pruned to eliminate duplicates Z: 22 29.284 2.199 0.900 0.572 0.857 0.619 CA 1.664 22 residues pruned to eliminate duplicates Z: 132 64.972 2.101 0.857 0.586 0.924 0.519 CB 1.451 132 residues pruned to eliminate duplicates Z: 16 24.043 2.144 0.969 0.546 0.933 0.467 CA 1.506 16 residues pruned to eliminate duplicates Z: 100 56.606 2.111 0.823 0.638 0.909 0.556 CB 1.429 100 residues pruned to eliminate duplicates Z: 58 45.102 2.162 0.771 0.675 0.912 0.614 CB 1.456 58 residues pruned to eliminate duplicates Z: 22 28.072 2.205 0.787 0.606 0.905 0.714 CA 1.554 22 residues pruned to eliminate duplicates Z: 23 27.333 2.173 0.936 0.553 0.864 0.727 CA 1.522 23 residues pruned to eliminate duplicates Z: 10 21.210 2.138 1.034 0.866 0.889 0.778 CA 1.339 10 residues pruned to eliminate duplicates Z: 23 29.125 2.205 1.015 0.584 0.773 0.682 CA 1.669 23 residues pruned to eliminate duplicates Z: 62 45.365 2.168 0.835 0.624 0.902 0.541 CB 1.440 62 residues pruned to eliminate duplicates Z: 30 18.328 1.964 0.765 0.371 0.828 0.379 CB 1.362 30 residues pruned to eliminate duplicates Z: 63 45.681 2.132 0.895 0.656 0.887 0.565 CB 1.400 63 residues pruned to eliminate duplicates Z: 40 28.846 2.046 0.867 0.521 0.897 0.385 CB 1.320 40 residues pruned to eliminate duplicates Z: 29 23.152 2.060 0.848 0.568 0.821 0.536 CB 1.310 29 residues pruned to eliminate duplicates Z: 24 26.269 2.145 0.782 0.519 0.870 0.522 CA 1.616 24 residues pruned to eliminate duplicates Z: 15 15.340 2.040 0.399 0.856 0.857 0.714 CB 1.236 15 residues pruned to eliminate duplicates Z: 48 41.697 2.162 0.845 0.699 0.894 0.574 CB 1.423 48 residues pruned to eliminate duplicates Z: 53 37.793 2.075 0.776 0.625 0.904 0.481 CB 1.398 53 residues pruned to eliminate duplicates Z: 66 41.982 2.102 0.823 0.587 0.862 0.538 CB 1.451 66 residues pruned to eliminate duplicates Z: 55 36.814 2.123 0.741 0.657 0.852 0.630 CB 1.376 55 residues pruned to eliminate duplicates Z: 111 60.818 2.116 0.880 0.589 0.927 0.509 CB 1.443 111 residues pruned to eliminate duplicates Z: 33 24.234 2.088 0.671 0.556 0.812 0.469 CA 1.431 33 residues pruned to eliminate duplicates Z: 54 42.041 2.124 0.793 0.662 0.906 0.547 CB 1.441 54 residues pruned to eliminate duplicates Z: 47 41.869 2.163 0.854 0.712 0.935 0.696 CB 1.359 47 residues pruned to eliminate duplicates Z: 47 42.387 2.174 0.834 0.713 0.913 0.565 CB 1.415 47 residues pruned to eliminate duplicates Z: 110 52.260 2.091 0.763 0.540 0.899 0.532 CB 1.452 110 residues pruned to eliminate duplicates Z: 53 43.466 2.140 0.758 0.675 0.942 0.538 CB 1.447 53 residues pruned to eliminate duplicates Z: 50 35.478 2.128 0.748 0.677 0.898 0.531 CB 1.289 50 residues pruned to eliminate duplicates Z: 68 43.546 2.122 0.736 0.582 0.910 0.537 CB 1.466 68 residues pruned to eliminate duplicates Z: 49 37.509 2.060 0.871 0.659 0.938 0.625 CB 1.292 49 residues pruned to eliminate duplicates Z: 60 47.588 2.150 0.906 0.678 0.881 0.576 CB 1.456 60 residues pruned to eliminate duplicates Z: 74 49.435 2.115 0.839 0.644 0.890 0.548 CB 1.460 74 residues pruned to eliminate duplicates Z: 49 44.308 2.115 0.916 0.700 0.958 0.396 CB 1.372 49 residues pruned to eliminate duplicates Z: 65 46.528 2.109 0.920 0.605 0.922 0.516 CB 1.410 65 residues pruned to eliminate duplicates Z: 67 43.869 2.123 0.812 0.655 0.879 0.576 CB 1.384 67 residues pruned to eliminate duplicates Z: 45 44.947 2.226 0.865 0.739 0.909 0.545 CB 1.449 45 residues pruned to eliminate duplicates Z: 48 43.101 2.171 0.823 0.692 0.936 0.553 CB 1.424 48 residues pruned to eliminate duplicates Z: 54 47.760 2.116 0.896 0.678 0.962 0.623 CB 1.443 54 residues pruned to eliminate duplicates Z: 47 43.870 2.170 0.934 0.717 0.935 0.587 CB 1.354 47 residues pruned to eliminate duplicates Z: 39 27.829 2.122 0.886 0.579 0.789 0.500 CB 1.325 39 residues pruned to eliminate duplicates Z: 86 42.496 2.074 0.804 0.651 0.812 0.565 CB 1.318 86 residues pruned to eliminate duplicates Z: 114 58.270 2.106 0.813 0.571 0.929 0.531 CB 1.443 114 residues pruned to eliminate duplicates Z: 46 44.817 2.199 0.742 0.725 1.000 0.733 CB 1.424 46 residues pruned to eliminate duplicates Z: 49 42.189 2.158 0.837 0.712 0.896 0.521 CB 1.415 49 residues pruned to eliminate duplicates Z: 64 43.337 2.066 0.826 0.670 0.921 0.540 CB 1.344 64 residues pruned to eliminate duplicates Z: 66 54.099 2.157 0.892 0.665 0.923 0.569 CB 1.529 66 residues pruned to eliminate duplicates Z: 69 50.210 2.071 0.902 0.644 0.956 0.632 CB 1.413 69 residues pruned to eliminate duplicates Z: 51 44.533 2.118 0.822 0.715 0.960 0.540 CB 1.399 51 residues pruned to eliminate duplicates Z: 48 40.080 2.165 0.768 0.711 0.894 0.681 CB 1.411 48 residues pruned to eliminate duplicates Z: 54 38.482 2.103 0.855 0.646 0.887 0.566 CB 1.334 54 residues pruned to eliminate duplicates Z: 51 38.678 2.111 0.888 0.657 0.900 0.420 CB 1.318 51 residues pruned to eliminate duplicates Z: 50 41.176 2.148 0.755 0.696 0.918 0.592 CB 1.421 50 residues pruned to eliminate duplicates Z: 47 43.043 2.186 0.860 0.695 0.935 0.478 CB 1.397 47 residues pruned to eliminate duplicates Z: 113 60.124 2.108 0.874 0.586 0.929 0.571 CB 1.426 113 residues pruned to eliminate duplicates Z: 48 41.883 2.180 0.921 0.701 0.894 0.553 CB 1.359 48 residues pruned to eliminate duplicates Z: 73 54.185 2.141 0.924 0.688 0.903 0.542 CB 1.446 73 residues pruned to eliminate duplicates Z: 66 51.314 2.115 0.928 0.705 0.938 0.554 CB 1.381 66 residues pruned to eliminate duplicates Z: 97 57.565 2.115 0.889 0.558 0.927 0.552 CB 1.498 97 residues pruned to eliminate duplicates Z: 96 60.710 2.142 0.924 0.557 0.947 0.600 CB 1.510 96 residues pruned to eliminate duplicates Z: 83 53.443 2.120 0.863 0.655 0.902 0.610 CB 1.434 83 residues pruned to eliminate duplicates Z: 126 65.131 2.129 0.868 0.584 0.920 0.568 CB 1.469 126 residues pruned to eliminate duplicates Z: 61 40.421 2.062 0.890 0.625 0.900 0.633 CB 1.322 61 residues pruned to eliminate duplicates Z: 112 64.159 2.135 0.908 0.577 0.937 0.577 CB 1.481 112 residues pruned to eliminate duplicates Z: 132 59.045 2.122 0.784 0.537 0.878 0.496 CB 1.497 132 residues pruned to eliminate duplicates Z: 18 17.747 1.888 0.619 0.737 0.824 0.647 CB 1.383 18 residues pruned to eliminate duplicates Z: 82 48.378 2.071 0.803 0.535 0.938 0.543 CB 1.482 82 residues pruned to eliminate duplicates Z: 125 68.783 2.143 0.921 0.591 0.927 0.621 CB 1.483 125 residues pruned to eliminate duplicates Z: 66 42.867 2.074 0.890 0.520 0.892 0.523 CB 1.491 66 residues pruned to eliminate duplicates Z: 111 61.101 2.128 0.841 0.596 0.927 0.609 CB 1.464 111 residues pruned to eliminate duplicates Z: 87 55.501 2.104 0.896 0.660 0.919 0.558 CB 1.408 87 residues pruned to eliminate duplicates Z: 111 58.620 2.109 0.848 0.589 0.927 0.636 CB 1.420 111 residues pruned to eliminate duplicates Z: 114 59.730 2.102 0.862 0.573 0.929 0.558 CB 1.440 114 residues pruned to eliminate duplicates Z: 59 40.421 2.117 0.866 0.484 0.897 0.569 CB 1.523 59 residues pruned to eliminate duplicates Z: 62 36.882 2.067 0.874 0.454 0.885 0.525 CB 1.444 62 residues pruned to eliminate duplicates Z: 131 64.897 2.128 0.840 0.562 0.908 0.577 CB 1.508 131 residues pruned to eliminate duplicates Z: 60 43.184 2.131 0.866 0.491 0.949 0.542 CB 1.503 60 residues pruned to eliminate duplicates Z: 59 42.520 2.108 0.876 0.501 0.931 0.552 CB 1.515 59 residues pruned to eliminate duplicates Z: 61 38.787 2.082 0.917 0.473 0.883 0.483 CB 1.460 61 residues pruned to eliminate duplicates Z: 61 40.107 2.080 0.879 0.500 0.883 0.533 CB 1.500 61 residues pruned to eliminate duplicates Z: 26 31.956 2.021 0.936 0.709 0.920 0.600 CB 1.468 26 residues pruned to eliminate duplicates Z: 88 54.576 2.091 0.849 0.649 0.920 0.598 CB 1.432 88 residues pruned to eliminate duplicates Z: 65 42.179 2.090 0.786 0.523 0.922 0.594 CB 1.498 65 residues pruned to eliminate duplicates Z: 61 41.098 2.092 0.931 0.470 0.917 0.483 CB 1.478 61 residues pruned to eliminate duplicates Z: 111 62.450 2.136 0.878 0.594 0.927 0.555 CB 1.463 111 residues pruned to eliminate duplicates Z: 57 40.291 2.112 0.905 0.464 0.893 0.518 CB 1.555 57 residues pruned to eliminate duplicates Z: 130 62.689 2.132 0.803 0.552 0.907 0.519 CB 1.505 130 residues pruned to eliminate duplicates Z: 60 41.001 2.080 0.872 0.518 0.932 0.542 CB 1.445 60 residues pruned to eliminate duplicates Z: 34 34.260 2.079 0.788 0.644 0.939 0.576 CB 1.494 34 residues pruned to eliminate duplicates Z: 34 32.226 2.078 0.654 0.661 0.970 0.606 CB 1.450 34 residues pruned to eliminate duplicates Z: 97 56.760 2.131 0.858 0.565 0.938 0.562 CB 1.465 97 residues pruned to eliminate duplicates Z: 113 57.875 2.107 0.827 0.587 0.920 0.625 CB 1.422 113 residues pruned to eliminate duplicates Z: 6 7.023 2.020 0.114 0.583 1.000 0.600 CA 1.288 6 residues pruned to eliminate duplicates Z: 37 24.431 2.075 0.731 0.343 0.861 0.500 CB 1.562 37 residues pruned to eliminate duplicates Z: 60 41.833 2.096 0.833 0.497 0.949 0.525 CB 1.498 60 residues pruned to eliminate duplicates Z: 23 25.502 2.081 0.821 0.516 1.000 0.591 CB 1.412 23 residues pruned to eliminate duplicates Z: 114 58.553 2.101 0.806 0.580 0.929 0.531 CB 1.446 114 residues pruned to eliminate duplicates Z: 57 43.074 2.114 0.873 0.514 0.946 0.607 CB 1.514 57 residues pruned to eliminate duplicates Z: 34 27.997 2.123 0.779 0.392 0.939 0.485 CB 1.540 34 residues pruned to eliminate duplicates Z: 124 56.082 2.083 0.769 0.552 0.894 0.553 CB 1.458 124 residues pruned to eliminate duplicates Z: 59 43.891 2.111 0.836 0.496 0.966 0.586 CB 1.545 59 residues pruned to eliminate duplicates Z: 125 67.300 2.131 0.910 0.580 0.935 0.540 CB 1.470 125 residues pruned to eliminate duplicates Z: 112 59.301 2.109 0.807 0.589 0.937 0.568 CB 1.446 112 residues pruned to eliminate duplicates Z: 107 61.152 2.138 0.886 0.598 0.925 0.585 CB 1.451 107 residues pruned to eliminate duplicates Z: 59 43.765 2.122 0.783 0.494 0.983 0.569 CB 1.555 59 residues pruned to eliminate duplicates Z: 38 24.639 2.085 0.658 0.363 0.892 0.486 CB 1.522 38 residues pruned to eliminate duplicates Z: 59 35.174 2.058 0.841 0.460 0.879 0.586 CB 1.443 59 residues pruned to eliminate duplicates Z: 40 33.861 2.159 0.827 0.423 0.949 0.436 CB 1.570 40 residues pruned to eliminate duplicates Z: 7 5.779 1.787 0.589 0.486 0.833 0.833 CA 1.011 7 residues pruned to eliminate duplicates Z: 50 31.512 2.072 0.735 0.429 0.918 0.469 CB 1.467 50 residues pruned to eliminate duplicates Z: 60 41.597 2.088 0.853 0.488 0.932 0.576 CB 1.520 60 residues pruned to eliminate duplicates Z: 36 24.410 2.035 0.893 0.356 0.886 0.571 CB 1.414 36 residues pruned to eliminate duplicates Z: 51 32.054 2.096 0.730 0.413 0.880 0.500 CB 1.555 51 residues pruned to eliminate duplicates Z: 117 60.204 2.113 0.848 0.576 0.940 0.534 CB 1.415 117 residues pruned to eliminate duplicates Z: 82 52.669 2.104 0.842 0.542 0.951 0.519 CB 1.525 82 residues pruned to eliminate duplicates Z: 49 35.774 2.132 0.852 0.418 0.917 0.479 CB 1.554 49 residues pruned to eliminate duplicates Z: 60 39.808 2.083 0.813 0.474 0.966 0.559 CB 1.458 60 residues pruned to eliminate duplicates Z: 30 21.238 2.060 0.737 0.335 0.897 0.414 CB 1.473 30 residues pruned to eliminate duplicates Z: 27 27.729 2.136 0.824 0.385 1.000 0.462 CB 1.576 27 residues pruned to eliminate duplicates Z: 7 4.340 1.492 0.370 0.442 1.000 0.333 N 0.920 7 residues pruned to eliminate duplicates Z: 60 46.890 2.124 0.939 0.526 0.949 0.542 CB 1.522 60 residues pruned to eliminate duplicates Z: 71 38.474 2.042 0.791 0.471 0.900 0.600 CB 1.439 71 residues pruned to eliminate duplicates Z: 113 58.849 2.084 0.824 0.596 0.938 0.643 CB 1.423 113 residues pruned to eliminate duplicates Z: 32 17.613 1.968 0.614 0.408 0.839 0.516 CB 1.308 32 residues pruned to eliminate duplicates Z: 33 19.409 2.018 0.566 0.450 0.875 0.656 CB 1.306 33 residues pruned to eliminate duplicates Z: 19 10.091 1.948 0.417 0.351 0.889 0.444 CB 1.138 19 residues pruned to eliminate duplicates Z: 31 16.553 1.943 0.546 0.477 0.833 0.500 CB 1.236 31 residues pruned to eliminate duplicates Z: 23 14.483 2.006 0.520 0.505 0.909 0.545 CB 1.108 23 residues pruned to eliminate duplicates Z: 23 16.699 2.048 0.672 0.486 0.818 0.455 CB 1.289 23 residues pruned to eliminate duplicates Z: 22 18.724 2.052 0.653 0.543 0.905 0.476 CB 1.277 22 residues pruned to eliminate duplicates Z: 35 24.907 2.062 0.622 0.538 0.912 0.529 CB 1.349 35 residues pruned to eliminate duplicates Z: 23 15.772 2.020 0.598 0.529 0.909 0.409 CB 1.114 23 residues pruned to eliminate duplicates Z: 44 26.414 1.989 0.611 0.515 0.884 0.581 CB 1.401 44 residues pruned to eliminate duplicates Z: 38 25.351 2.046 0.634 0.541 0.838 0.595 CB 1.429 38 residues pruned to eliminate duplicates Z: 37 24.612 2.009 0.606 0.528 0.861 0.667 CB 1.437 37 residues pruned to eliminate duplicates Z: 9 10.332 2.039 0.492 0.564 0.875 0.750 CA 1.290 9 residues pruned to eliminate duplicates Z: 35 27.555 2.035 0.757 0.540 0.941 0.647 CB 1.350 35 residues pruned to eliminate duplicates Z: 36 27.928 2.016 0.755 0.577 0.886 0.600 CB 1.398 36 residues pruned to eliminate duplicates Z: 37 26.862 2.017 0.682 0.568 0.889 0.611 CB 1.390 37 residues pruned to eliminate duplicates Z: 23 18.098 2.016 0.787 0.617 0.909 0.591 CB 1.055 23 residues pruned to eliminate duplicates Z: 20 16.092 1.921 0.794 0.400 0.842 0.474 CB 1.413 20 residues pruned to eliminate duplicates Z: 38 26.136 2.030 0.622 0.583 0.892 0.541 CB 1.351 38 residues pruned to eliminate duplicates Z: 41 26.803 1.943 0.665 0.550 0.900 0.675 CB 1.387 41 residues pruned to eliminate duplicates Z: 22 23.969 2.023 0.789 0.545 0.952 0.714 CB 1.453 22 residues pruned to eliminate duplicates Z: 16 18.396 1.955 0.633 0.538 0.933 0.533 CB 1.536 16 residues pruned to eliminate duplicates Z: 26 15.035 1.796 0.498 0.425 0.880 0.600 CB 1.373 26 residues pruned to eliminate duplicates Z: 37 26.239 2.051 0.598 0.553 0.889 0.694 CB 1.425 37 residues pruned to eliminate duplicates Z: 39 27.984 2.018 0.665 0.577 0.868 0.579 CB 1.444 39 residues pruned to eliminate duplicates Z: 22 20.915 1.976 0.735 0.549 0.905 0.810 CA 1.403 22 residues pruned to eliminate duplicates Z: 22 18.625 1.957 0.686 0.512 0.857 0.667 CA 1.420 22 residues pruned to eliminate duplicates Z: 33 26.068 2.032 0.574 0.533 0.969 0.594 CB 1.441 33 residues pruned to eliminate duplicates Z: 27 21.638 1.992 0.582 0.512 0.923 0.615 CA 1.442 27 residues pruned to eliminate duplicates Z: 26 20.063 1.972 0.487 0.537 0.960 0.680 CB 1.375 26 residues pruned to eliminate duplicates Z: 18 15.962 1.923 0.396 0.488 0.941 0.647 CB 1.551 18 residues pruned to eliminate duplicates Z: 27 20.986 2.007 0.614 0.563 0.885 0.692 CB 1.351 27 residues pruned to eliminate duplicates Z: 39 21.415 1.935 0.460 0.507 0.868 0.500 CB 1.405 39 residues pruned to eliminate duplicates Z: 66 28.771 1.886 0.531 0.564 0.908 0.615 CB 1.280 68 residues pruned to eliminate duplicates Z: 13 8.610 1.758 0.531 0.625 0.750 0.667 CB 1.094 13 residues pruned to eliminate duplicates Z: 16 14.318 1.881 0.641 0.615 0.867 0.600 CB 1.240 16 residues pruned to eliminate duplicates Z: 16 13.834 1.967 0.473 0.583 0.933 0.333 CB 1.220 16 residues pruned to eliminate duplicates Z: 40 19.927 1.838 0.494 0.585 0.923 0.615 CB 1.161 40 residues pruned to eliminate duplicates Z: 13 16.780 2.045 0.536 0.744 0.917 0.667 CB 1.352 13 residues pruned to eliminate duplicates Z: 15 15.985 1.978 0.470 0.669 0.929 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 17 13.812 1.881 0.424 0.599 0.875 0.438 CB 1.341 17 residues pruned to eliminate duplicates Z: 20 12.740 1.897 0.223 0.608 0.895 0.737 CB 1.271 20 residues pruned to eliminate duplicates Z: 30 18.695 1.923 0.352 0.602 0.966 0.724 CB 1.255 30 residues pruned to eliminate duplicates Z: 60 27.830 1.923 0.530 0.564 0.898 0.678 CB 1.288 61 residues pruned to eliminate duplicates Z: 12 13.675 1.941 0.535 0.710 1.000 0.727 CB 1.144 12 residues pruned to eliminate duplicates Z: 26 14.793 1.902 0.298 0.475 0.920 0.680 CB 1.336 26 residues pruned to eliminate duplicates Z: 29 20.411 1.997 0.390 0.589 0.964 0.714 CB 1.324 29 residues pruned to eliminate duplicates Z: 16 13.651 1.931 0.319 0.490 0.933 0.533 CB 1.497 16 residues pruned to eliminate duplicates Z: 35 17.681 1.861 0.351 0.527 0.912 0.559 CB 1.288 35 residues pruned to eliminate duplicates Z: 19 19.696 1.955 0.514 0.579 1.000 0.667 CB 1.454 24 residues pruned to eliminate duplicates Z: 14 20.000 2.022 0.691 0.717 1.000 0.846 CB 1.333 14 residues pruned to eliminate duplicates Z: 15 19.752 2.038 0.694 0.605 1.000 0.643 CB 1.385 15 residues pruned to eliminate duplicates Z: 30 16.937 1.893 0.389 0.477 0.828 0.414 CB 1.479 30 residues pruned to eliminate duplicates Z: 21 18.363 1.876 0.523 0.582 1.000 0.600 CB 1.329 21 residues pruned to eliminate duplicates Z: 14 13.076 1.936 0.368 0.550 1.000 0.538 CB 1.305 14 residues pruned to eliminate duplicates Z: 22 14.721 1.822 0.554 0.576 0.857 0.524 CB 1.230 22 residues pruned to eliminate duplicates Z: 16 15.593 1.922 0.662 0.593 0.867 0.533 CA 1.331 16 residues pruned to eliminate duplicates Z: 15 16.539 1.795 0.674 0.767 0.929 0.714 CA 1.251 15 residues pruned to eliminate duplicates Z: 22 18.906 1.919 0.565 0.552 0.952 0.571 CB 1.372 22 residues pruned to eliminate duplicates Z: 15 16.770 1.937 0.673 0.685 0.857 0.643 CA 1.361 15 residues pruned to eliminate duplicates Z: 56 26.757 1.951 0.393 0.580 0.945 0.636 CB 1.301 56 residues pruned to eliminate duplicates Z: 35 23.642 1.947 0.632 0.590 0.853 0.647 CB 1.373 35 residues pruned to eliminate duplicates Z: 37 23.382 1.922 0.477 0.596 0.889 0.611 CB 1.410 37 residues pruned to eliminate duplicates Z: 11 9.525 1.852 0.999 0.388 0.800 0.400 CA 1.146 11 residues pruned to eliminate duplicates Z: 10 6.541 1.824 0.548 0.574 0.778 0.556 CA 0.924 10 residues pruned to eliminate duplicates Z: 10 9.655 1.857 0.630 0.417 1.000 0.556 CA 1.159 10 residues pruned to eliminate duplicates Z: 7 11.716 2.154 0.958 0.523 0.833 0.500 CA 1.331 7 residues pruned to eliminate duplicates Z: 7 6.156 1.985 0.711 0.534 0.667 0.500 CA 1.073 7 residues pruned to eliminate duplicates Z: 83 55.548 2.162 0.834 0.669 0.939 0.659 CB 1.410 83 residues pruned to eliminate duplicates Z: 127 66.536 2.169 0.802 0.596 0.937 0.635 CB 1.478 127 residues pruned to eliminate duplicates Z: 84 51.121 2.150 0.770 0.664 0.904 0.602 CB 1.402 84 residues pruned to eliminate duplicates Z: 74 53.780 2.166 0.852 0.658 0.932 0.644 CB 1.455 74 residues pruned to eliminate duplicates Z: 134 61.134 2.166 0.770 0.568 0.880 0.602 CB 1.472 134 residues pruned to eliminate duplicates Z: 26 29.493 2.037 1.044 0.580 0.960 0.720 CA 1.366 26 residues pruned to eliminate duplicates Z: 82 53.063 2.178 0.805 0.683 0.926 0.617 CB 1.369 82 residues pruned to eliminate duplicates Z: 26 24.048 2.018 0.792 0.537 0.960 0.680 CA 1.337 26 residues pruned to eliminate duplicates Z: 50 43.879 2.230 0.829 0.652 0.918 0.633 CB 1.454 50 residues pruned to eliminate duplicates Z: 138 65.522 2.153 0.794 0.571 0.927 0.577 CB 1.460 138 residues pruned to eliminate duplicates Z: 139 62.189 2.154 0.760 0.555 0.906 0.616 CB 1.461 139 residues pruned to eliminate duplicates Z: 24 24.125 2.073 0.882 0.548 0.913 0.696 CA 1.347 24 residues pruned to eliminate duplicates Z: 23 30.358 2.109 0.979 0.615 0.955 0.636 CB 1.456 23 residues pruned to eliminate duplicates Z: 137 61.536 2.152 0.743 0.578 0.904 0.588 CB 1.443 137 residues pruned to eliminate duplicates Z: 98 52.236 2.149 0.742 0.627 0.897 0.577 CB 1.401 98 residues pruned to eliminate duplicates Z: 139 61.933 2.163 0.743 0.564 0.899 0.601 CB 1.462 139 residues pruned to eliminate duplicates Z: 45 41.395 2.200 0.701 0.602 0.977 0.636 CA 1.549 45 residues pruned to eliminate duplicates Z: 131 60.729 2.145 0.773 0.573 0.908 0.577 CB 1.438 131 residues pruned to eliminate duplicates Z: 133 65.701 2.176 0.783 0.562 0.924 0.553 CB 1.501 133 residues pruned to eliminate duplicates Z: 73 51.674 2.191 0.770 0.665 0.931 0.667 CB 1.449 73 residues pruned to eliminate duplicates Z: 139 65.146 2.163 0.790 0.552 0.935 0.587 CB 1.456 139 residues pruned to eliminate duplicates Z: 64 39.846 2.131 0.655 0.668 0.921 0.651 CB 1.323 64 residues pruned to eliminate duplicates Z: 37 34.890 2.184 0.656 0.657 0.917 0.611 CA 1.516 37 residues pruned to eliminate duplicates Z: 124 63.657 2.173 0.840 0.578 0.935 0.602 CB 1.424 124 residues pruned to eliminate duplicates Z: 138 64.045 2.164 0.769 0.556 0.934 0.569 CB 1.449 138 residues pruned to eliminate duplicates Z: 81 46.016 2.144 0.737 0.513 0.900 0.488 CA 1.515 81 residues pruned to eliminate duplicates Z: 88 51.593 2.085 0.929 0.646 0.908 0.517 CB 1.322 88 residues pruned to eliminate duplicates Z: 106 58.667 2.145 0.761 0.630 0.952 0.581 CB 1.408 106 residues pruned to eliminate duplicates Z: 50 50.176 2.244 0.835 0.656 0.980 0.714 CB 1.537 50 residues pruned to eliminate duplicates Z: 101 58.016 2.168 0.866 0.642 0.900 0.570 CB 1.396 101 residues pruned to eliminate duplicates Z: 63 41.352 2.152 0.764 0.670 0.887 0.484 CB 1.332 63 residues pruned to eliminate duplicates Z: 85 54.963 2.146 0.956 0.658 0.905 0.655 CB 1.364 85 residues pruned to eliminate duplicates Z: 85 48.016 2.155 0.747 0.650 0.905 0.571 CB 1.338 85 residues pruned to eliminate duplicates Z: 142 64.691 2.172 0.756 0.543 0.922 0.582 CB 1.485 137 residues pruned to eliminate duplicates Z: 30 29.688 2.021 0.896 0.703 0.897 0.759 CB 1.334 30 residues pruned to eliminate duplicates Z: 103 50.891 2.105 0.785 0.571 0.912 0.559 CB 1.374 103 residues pruned to eliminate duplicates Z: 104 59.750 2.169 0.886 0.565 0.932 0.563 CB 1.450 104 residues pruned to eliminate duplicates Z: 133 67.484 2.167 0.849 0.572 0.932 0.621 CB 1.468 133 residues pruned to eliminate duplicates Z: 35 42.183 2.256 0.799 0.614 0.971 0.618 CB 1.649 35 residues pruned to eliminate duplicates Z: 63 43.267 2.175 0.757 0.682 0.887 0.677 CB 1.371 63 residues pruned to eliminate duplicates Z: 58 36.568 2.117 0.755 0.643 0.895 0.614 CB 1.275 58 residues pruned to eliminate duplicates Z: 72 49.008 2.140 0.929 0.649 0.944 0.592 CB 1.300 72 residues pruned to eliminate duplicates Z: 54 42.984 2.174 0.953 0.669 0.906 0.491 CB 1.313 54 residues pruned to eliminate duplicates Z: 134 65.246 2.157 0.829 0.558 0.940 0.594 CB 1.442 134 residues pruned to eliminate duplicates Z: 111 54.262 2.150 0.754 0.566 0.891 0.509 CB 1.444 111 residues pruned to eliminate duplicates Z: 136 63.703 2.148 0.843 0.568 0.904 0.570 CB 1.435 143 residues pruned to eliminate duplicates Z: 112 61.741 2.181 0.841 0.585 0.928 0.568 CB 1.450 112 residues pruned to eliminate duplicates Z: 82 55.173 2.186 0.843 0.675 0.914 0.531 CB 1.417 82 residues pruned to eliminate duplicates Z: 47 32.134 2.130 0.724 0.675 0.935 0.587 CB 1.175 47 residues pruned to eliminate duplicates Z: 135 65.947 2.170 0.763 0.569 0.933 0.567 CB 1.494 135 residues pruned to eliminate duplicates Z: 62 44.713 2.167 0.888 0.681 0.902 0.541 CB 1.314 62 residues pruned to eliminate duplicates Z: 115 58.748 2.168 0.763 0.543 0.921 0.588 CB 1.499 115 residues pruned to eliminate duplicates Z: 99 52.630 2.130 0.802 0.549 0.939 0.602 CB 1.407 99 residues pruned to eliminate duplicates Z: 134 65.555 2.173 0.789 0.566 0.932 0.617 CB 1.471 134 residues pruned to eliminate duplicates Z: 100 44.086 2.066 0.644 0.562 0.919 0.606 CB 1.337 100 residues pruned to eliminate duplicates Z: 139 59.977 2.156 0.730 0.549 0.906 0.565 CB 1.441 139 residues pruned to eliminate duplicates Z: 132 65.109 2.175 0.787 0.573 0.931 0.611 CB 1.465 132 residues pruned to eliminate duplicates Z: 82 55.174 2.190 0.718 0.676 0.963 0.667 CB 1.439 82 residues pruned to eliminate duplicates Z: 126 66.096 2.169 0.854 0.587 0.928 0.632 CB 1.458 126 residues pruned to eliminate duplicates Z: 135 64.405 2.150 0.738 0.576 0.948 0.627 CB 1.461 135 residues pruned to eliminate duplicates Z: 82 58.328 2.188 0.873 0.685 0.951 0.617 CB 1.404 82 residues pruned to eliminate duplicates Z: 134 63.872 2.171 0.777 0.576 0.910 0.609 CB 1.468 134 residues pruned to eliminate duplicates Z: 85 55.101 2.160 0.801 0.656 0.952 0.690 CB 1.403 85 residues pruned to eliminate duplicates Z: 133 60.480 2.157 0.741 0.550 0.917 0.576 CB 1.456 133 residues pruned to eliminate duplicates Z: 66 37.945 2.136 0.664 0.487 0.923 0.554 CB 1.454 66 residues pruned to eliminate duplicates Z: 17 11.674 1.986 0.239 0.560 0.938 0.688 CB 1.193 17 residues pruned to eliminate duplicates Z: 17 10.654 1.957 0.289 0.559 0.875 0.562 CB 1.140 17 residues pruned to eliminate duplicates Z: 127 63.223 2.144 0.852 0.568 0.929 0.587 CB 1.430 127 residues pruned to eliminate duplicates Z: 79 54.343 2.185 0.841 0.675 0.910 0.628 CB 1.430 79 residues pruned to eliminate duplicates Z: 106 49.098 2.093 0.874 0.526 0.876 0.571 CB 1.359 106 residues pruned to eliminate duplicates Z: 14 9.127 1.974 0.153 0.489 0.846 0.615 CB 1.329 14 residues pruned to eliminate duplicates Z: 136 64.764 2.170 0.785 0.561 0.933 0.570 CB 1.453 136 residues pruned to eliminate duplicates Z: 60 40.454 2.149 0.700 0.462 0.949 0.525 CB 1.579 60 residues pruned to eliminate duplicates Z: 85 54.046 2.151 0.786 0.636 0.952 0.536 CB 1.418 85 residues pruned to eliminate duplicates Z: 112 58.347 2.140 0.776 0.625 0.937 0.640 CB 1.383 102 residues pruned to eliminate duplicates Z: 11 14.592 1.838 0.424 0.722 1.000 0.400 CA 1.442 11 residues pruned to eliminate duplicates Z: 30 26.075 2.127 0.715 0.573 0.862 0.621 CB 1.434 30 residues pruned to eliminate duplicates Z: 82 43.090 2.102 0.728 0.494 0.914 0.568 CB 1.451 82 residues pruned to eliminate duplicates Z: 114 53.864 2.152 0.740 0.546 0.903 0.549 CB 1.433 114 residues pruned to eliminate duplicates Z: 70 35.914 2.104 0.709 0.453 0.884 0.580 CB 1.428 70 residues pruned to eliminate duplicates Z: 61 38.286 2.128 0.697 0.456 0.933 0.567 CB 1.533 61 residues pruned to eliminate duplicates Z: 53 37.985 2.155 0.748 0.446 0.962 0.596 CB 1.537 53 residues pruned to eliminate duplicates Z: 61 39.992 2.130 0.754 0.443 0.950 0.500 CB 1.542 61 residues pruned to eliminate duplicates Z: 57 37.122 2.139 0.780 0.427 0.911 0.554 CB 1.544 57 residues pruned to eliminate duplicates Z: 68 38.645 2.120 0.682 0.452 0.940 0.597 CB 1.478 68 residues pruned to eliminate duplicates Z: 89 45.970 2.118 0.808 0.520 0.886 0.545 CB 1.415 89 residues pruned to eliminate duplicates Z: 51 36.661 2.156 0.756 0.432 0.940 0.580 CB 1.564 51 residues pruned to eliminate duplicates Z: 54 34.895 2.145 0.753 0.399 0.887 0.547 CB 1.598 54 residues pruned to eliminate duplicates Z: 128 57.857 2.113 0.826 0.528 0.913 0.551 CB 1.417 128 residues pruned to eliminate duplicates Z: 43 33.977 2.157 0.788 0.434 0.929 0.595 CB 1.568 43 residues pruned to eliminate duplicates Z: 63 36.932 2.113 0.724 0.462 0.903 0.597 CB 1.482 63 residues pruned to eliminate duplicates Z: 37 23.323 2.065 0.638 0.533 0.917 0.556 CB 1.214 37 residues pruned to eliminate duplicates Z: 59 35.040 2.121 0.825 0.397 0.862 0.534 CB 1.537 59 residues pruned to eliminate duplicates Z: 51 35.285 2.109 0.734 0.435 0.920 0.520 CB 1.586 51 residues pruned to eliminate duplicates Z: 46 36.064 2.119 0.910 0.392 0.956 0.533 CB 1.558 46 residues pruned to eliminate duplicates Z: 58 32.554 2.118 0.700 0.389 0.895 0.456 CB 1.505 58 residues pruned to eliminate duplicates Z: 52 36.220 2.136 0.833 0.409 0.922 0.549 CB 1.547 52 residues pruned to eliminate duplicates Z: 45 36.827 2.140 0.884 0.425 0.932 0.523 CB 1.597 45 residues pruned to eliminate duplicates Z: 112 57.815 2.146 0.835 0.526 0.901 0.604 CB 1.507 112 residues pruned to eliminate duplicates Z: 56 35.021 2.104 0.787 0.398 0.891 0.527 CB 1.569 56 residues pruned to eliminate duplicates Z: 65 34.377 2.097 0.685 0.423 0.922 0.594 CB 1.430 65 residues pruned to eliminate duplicates Z: 59 31.818 2.115 0.729 0.371 0.862 0.517 CB 1.521 59 residues pruned to eliminate duplicates Z: 62 30.230 2.074 0.692 0.405 0.852 0.525 CB 1.430 62 residues pruned to eliminate duplicates Z: 72 34.073 2.089 0.754 0.395 0.873 0.493 CB 1.413 72 residues pruned to eliminate duplicates Z: 48 38.226 2.174 0.807 0.444 0.936 0.574 CB 1.605 48 residues pruned to eliminate duplicates Z: 113 53.351 2.137 0.785 0.510 0.911 0.527 CB 1.437 113 residues pruned to eliminate duplicates Z: 57 38.888 2.135 0.831 0.403 0.929 0.518 CB 1.586 57 residues pruned to eliminate duplicates Z: 51 40.074 2.137 0.851 0.426 0.960 0.540 CB 1.611 51 residues pruned to eliminate duplicates Z: 58 39.059 2.086 0.855 0.480 0.930 0.561 CB 1.467 58 residues pruned to eliminate duplicates Z: 38 24.285 2.120 0.792 0.314 0.838 0.486 CA 1.541 38 residues pruned to eliminate duplicates Z: 118 55.463 2.134 0.778 0.529 0.915 0.513 CB 1.436 118 residues pruned to eliminate duplicates Z: 60 39.266 2.166 0.752 0.444 0.915 0.508 CB 1.558 60 residues pruned to eliminate duplicates Z: 59 37.268 2.119 0.824 0.414 0.897 0.586 CB 1.546 59 residues pruned to eliminate duplicates Z: 34 27.316 2.105 0.811 0.347 0.909 0.515 CA 1.620 34 residues pruned to eliminate duplicates Z: 124 59.161 2.175 0.720 0.546 0.894 0.553 CB 1.524 124 residues pruned to eliminate duplicates Z: 71 34.343 2.058 0.766 0.403 0.900 0.514 CB 1.390 71 residues pruned to eliminate duplicates Z: 58 37.291 2.127 0.757 0.390 0.912 0.544 CB 1.627 58 residues pruned to eliminate duplicates Z: 62 37.407 2.118 0.676 0.431 0.951 0.541 CB 1.523 62 residues pruned to eliminate duplicates Z: 61 38.847 2.112 0.793 0.434 0.933 0.500 CB 1.519 61 residues pruned to eliminate duplicates Z: 59 32.683 2.107 0.690 0.380 0.897 0.483 CB 1.527 59 residues pruned to eliminate duplicates Z: 129 61.424 2.154 0.783 0.534 0.922 0.531 CB 1.483 129 residues pruned to eliminate duplicates Z: 65 34.207 2.115 0.752 0.407 0.859 0.469 CB 1.480 65 residues pruned to eliminate duplicates Z: 58 30.975 2.065 0.761 0.383 0.860 0.456 CB 1.487 58 residues pruned to eliminate duplicates Z: 73 36.654 2.101 0.751 0.436 0.889 0.569 CB 1.412 73 residues pruned to eliminate duplicates Z: 53 38.605 2.118 0.862 0.441 0.923 0.558 CB 1.562 53 residues pruned to eliminate duplicates Z: 8 2.753 1.786 0.659 0.077 0.714 0.143 CB 0.853 8 residues pruned to eliminate duplicates Z: 39 22.093 2.096 0.639 0.354 0.816 0.395 CA 1.498 39 residues pruned to eliminate duplicates Z: 67 38.297 2.105 0.754 0.434 0.924 0.545 CB 1.479 67 residues pruned to eliminate duplicates Z: 39 25.927 2.069 0.751 0.346 0.895 0.447 CA 1.533 39 residues pruned to eliminate duplicates Z: 44 31.126 2.142 0.790 0.386 0.907 0.488 CB 1.541 44 residues pruned to eliminate duplicates Z: 59 34.436 2.112 0.774 0.412 0.879 0.534 CB 1.505 59 residues pruned to eliminate duplicates Z: 58 34.351 2.120 0.798 0.407 0.877 0.491 CB 1.500 58 residues pruned to eliminate duplicates Z: 12 23.419 2.193 0.729 0.739 0.909 0.545 CA 1.653 Z: 13 23.049 2.220 0.721 0.685 0.917 0.667 CB 1.604 25 residues pruned to eliminate duplicates Z: 13 21.044 2.121 0.750 0.721 0.917 0.667 CB 1.463 13 residues pruned to eliminate duplicates Z: 13 18.840 2.188 0.645 0.692 0.917 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 11 21.428 2.237 0.644 0.860 0.900 0.700 CA 1.505 11 residues pruned to eliminate duplicates Z: 14 14.823 2.110 0.470 0.631 0.846 0.538 CB 1.385 14 residues pruned to eliminate duplicates Z: 13 17.125 2.098 0.623 0.676 0.917 0.667 CA 1.347 14 residues pruned to eliminate duplicates Z: 12 22.240 2.122 0.573 0.892 1.000 0.636 CA 1.443 12 residues pruned to eliminate duplicates Z: 12 26.281 2.259 0.802 0.826 1.000 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 10 14.578 1.900 0.895 0.645 1.000 0.667 CB 1.178 8 residues pruned to eliminate duplicates Z: 7 4.455 1.458 0.682 0.401 1.000 0.500 C 0.823 7 residues pruned to eliminate duplicates Z: 21 22.256 2.085 0.590 0.574 0.950 0.500 CB 1.472 21 residues pruned to eliminate duplicates Z: 26 18.750 2.011 0.539 0.461 0.920 0.600 CB 1.370 26 residues pruned to eliminate duplicates Z: 21 18.172 2.066 0.422 0.543 0.950 0.750 CB 1.396 21 residues pruned to eliminate duplicates Z: 23 22.408 2.104 0.644 0.501 0.909 0.727 CB 1.519 23 residues pruned to eliminate duplicates Z: 26 19.513 1.985 0.605 0.472 0.960 0.640 CB 1.312 26 residues pruned to eliminate duplicates Z: 40 23.427 1.972 0.473 0.497 0.974 0.667 CB 1.329 40 residues pruned to eliminate duplicates Z: 26 17.699 1.973 0.602 0.436 0.880 0.720 CB 1.360 26 residues pruned to eliminate duplicates Z: 21 21.674 2.061 0.513 0.584 0.950 0.650 CB 1.510 21 residues pruned to eliminate duplicates Z: 27 19.749 2.034 0.512 0.430 0.923 0.538 CB 1.467 27 residues pruned to eliminate duplicates Z: 22 20.260 2.047 0.550 0.496 0.952 0.619 CB 1.469 22 residues pruned to eliminate duplicates Z: 47 22.950 1.904 0.484 0.512 0.913 0.674 CB 1.297 47 residues pruned to eliminate duplicates Z: 28 19.477 2.005 0.513 0.465 0.926 0.556 CA 1.383 28 residues pruned to eliminate duplicates Z: 25 22.302 2.108 0.468 0.550 0.958 0.500 CA 1.462 25 residues pruned to eliminate duplicates Z: 25 21.867 2.093 0.442 0.516 0.958 0.625 CA 1.518 25 residues pruned to eliminate duplicates Z: 7 8.541 1.939 0.359 0.505 1.000 0.833 CA 1.317 7 residues pruned to eliminate duplicates Z: 40 27.213 2.144 0.523 0.505 0.872 0.667 CB 1.523 40 residues pruned to eliminate duplicates Z: 24 21.460 2.139 0.426 0.555 0.957 0.609 CA 1.454 24 residues pruned to eliminate duplicates Z: 24 19.955 2.125 0.460 0.577 0.913 0.652 CA 1.363 24 residues pruned to eliminate duplicates Z: 18 23.734 2.020 1.093 0.556 0.882 0.412 CB 1.461 18 residues pruned to eliminate duplicates Z: 33 26.784 2.029 0.578 0.601 0.938 0.719 CB 1.433 33 residues pruned to eliminate duplicates Z: 42 29.721 1.951 0.634 0.606 0.951 0.561 CB 1.384 45 residues pruned to eliminate duplicates Z: 10 24.368 2.095 1.083 0.789 1.000 0.778 CB 1.444 10 residues pruned to eliminate duplicates Z: 34 23.210 1.994 0.576 0.554 0.909 0.636 CB 1.341 34 residues pruned to eliminate duplicates Z: 32 29.679 2.040 0.736 0.626 0.903 0.677 CB 1.480 32 residues pruned to eliminate duplicates Z: 31 30.205 2.049 0.767 0.568 0.967 0.533 CB 1.475 31 residues pruned to eliminate duplicates Z: 35 30.447 2.031 0.782 0.569 0.971 0.559 CB 1.390 35 residues pruned to eliminate duplicates Z: 22 26.472 2.113 0.822 0.537 0.952 0.571 CB 1.519 22 residues pruned to eliminate duplicates Z: 31 29.311 2.064 0.744 0.584 0.933 0.533 CB 1.469 31 residues pruned to eliminate duplicates Z: 40 30.696 2.121 0.655 0.554 0.897 0.615 CB 1.480 40 residues pruned to eliminate duplicates Z: 23 24.099 2.123 0.776 0.528 0.909 0.545 CB 1.457 23 residues pruned to eliminate duplicates Z: 19 20.613 2.108 0.787 0.588 0.778 0.556 CA 1.524 19 residues pruned to eliminate duplicates Z: 10 7.607 1.865 0.317 0.389 0.889 0.444 CA 1.306 10 residues pruned to eliminate duplicates Z: 20 17.596 1.913 0.444 0.566 1.000 0.579 CB 1.370 20 residues pruned to eliminate duplicates Z: 32 33.291 2.080 0.742 0.618 0.968 0.645 CB 1.525 32 residues pruned to eliminate duplicates Z: 42 28.095 1.936 0.512 0.624 0.951 0.707 CB 1.402 42 residues pruned to eliminate duplicates Z: 13 14.585 1.938 0.385 0.656 1.000 0.667 CB 1.357 13 residues pruned to eliminate duplicates Z: 45 28.183 1.882 0.682 0.599 0.955 0.682 CB 1.280 45 residues pruned to eliminate duplicates Z: 29 32.020 2.055 0.793 0.614 0.964 0.607 CB 1.528 29 residues pruned to eliminate duplicates Z: 19 15.375 1.670 0.641 0.739 0.944 0.833 CB 1.130 19 residues pruned to eliminate duplicates Z: 30 27.967 2.013 0.797 0.588 0.897 0.621 CB 1.473 30 residues pruned to eliminate duplicates Z: 11 16.558 1.937 0.504 0.797 1.000 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 34 24.216 2.013 0.611 0.549 0.879 0.606 CB 1.410 34 residues pruned to eliminate duplicates Z: 41 27.124 1.916 0.735 0.561 0.925 0.500 CB 1.315 41 residues pruned to eliminate duplicates Z: 20 16.524 1.715 0.700 0.752 0.947 0.737 CB 1.096 20 residues pruned to eliminate duplicates Z: 20 15.914 1.927 0.386 0.519 0.947 0.579 CB 1.415 20 residues pruned to eliminate duplicates Z: 19 15.315 1.737 0.725 0.765 0.889 0.778 CB 1.071 19 residues pruned to eliminate duplicates Z: 43 27.138 1.917 0.514 0.614 0.976 0.667 CB 1.327 43 residues pruned to eliminate duplicates Z: 20 18.499 1.713 0.875 0.754 0.947 0.632 CB 1.112 20 residues pruned to eliminate duplicates Z: 63 31.402 1.985 0.609 0.553 0.919 0.532 CB 1.289 63 residues pruned to eliminate duplicates Z: 63 37.574 2.017 0.627 0.584 0.952 0.581 CB 1.410 64 residues pruned to eliminate duplicates Z: 10 7.309 1.535 0.457 0.765 0.889 0.556 CB 0.968 10 residues pruned to eliminate duplicates Z: 42 30.482 1.962 0.655 0.612 0.976 0.488 CB 1.351 42 residues pruned to eliminate duplicates Z: 10 7.347 1.546 0.357 0.720 1.000 0.222 CB 0.958 10 residues pruned to eliminate duplicates Z: 43 26.774 1.923 0.648 0.594 0.929 0.500 CB 1.283 43 residues pruned to eliminate duplicates Z: 12 7.555 1.451 0.527 0.632 1.000 0.455 CB 0.909 12 residues pruned to eliminate duplicates Z: 41 30.994 1.948 0.822 0.619 0.925 0.550 CB 1.334 40 residues pruned to eliminate duplicates Z: 10 10.802 1.572 0.542 0.850 1.000 0.667 CB 1.101 10 residues pruned to eliminate duplicates 413 residues left after pruning, divided into chains as follows: A: 131 B: 67 C: 149 D: 66 CC for partial structure against native data = 42.24 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.455, Connect. = 0.700 for dens.mod. cycle 1 = 0.303, Contrast = 0.522, Connect. = 0.728 for dens.mod. cycle 2 = 0.303, Contrast = 0.628, Connect. = 0.760 for dens.mod. cycle 3 = 0.303, Contrast = 0.636, Connect. = 0.761 for dens.mod. cycle 4 = 0.303, Contrast = 0.648, Connect. = 0.762 for dens.mod. cycle 5 = 0.303, Contrast = 0.652, Connect. = 0.763 for dens.mod. cycle 6 = 0.303, Contrast = 0.658, Connect. = 0.765 for dens.mod. cycle 7 = 0.303, Contrast = 0.660, Connect. = 0.766 for dens.mod. cycle 8 = 0.303, Contrast = 0.663, Connect. = 0.767 for dens.mod. cycle 9 = 0.303, Contrast = 0.664, Connect. = 0.768 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.37 - 3.46 - 3.02 - 2.73 - 2.54 - 2.38 - 2.26 - 2.16 - 2.08 - 2.00 0.755 0.749 0.705 0.716 0.719 0.722 0.705 0.673 0.623 0.601 0.901 0.903 0.868 0.894 0.900 0.895 0.877 0.852 0.800 0.759 N 3663 3653 3638 3789 3501 3865 3686 3683 3467 3522 Estimated mean FOM = 0.698 Pseudo-free CC = 71.42 % Best trace (cycle 2 with CC 42.26%) was saved as ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 3.0 - FFTs and peak-searches 9.2 - Sphere of influence 0.3 - Rest of density modification 0.0 - Alpha-helix search 921.6 - Tripeptide search 7808.1 - Chain tracing 0.0 - NCS analysis 18.4 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:23:31 Total time: 8761.13 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 146.7 Used memory is bytes: 8714584