++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:21:56 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: ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.ins Phases from ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.phi Native data from ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.hkl Listing output to ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.lst Phases output to ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.phs Poly-Ala trace output to ./2glz-2.0-parrot-noncs/2glz-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 21 21 21 Allowed origin shift code: 4 27600 Reflections read from file ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.phi 27600 Reflections read from file ./2glz-2.0-parrot-noncs/2glz-2.0-parrot-noncs.hkl 27600 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.001877h^2 -0.000354k^2 -0.000021l^2 +0.000000kl +0.000000hl +0.000000hk 14 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 128 x 39 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.772 = 0.300, Contrast = 0.092, Connect. = 0.495 for dens.mod. cycle 1 = 0.300, Contrast = 0.288, Connect. = 0.588 for dens.mod. cycle 2 = 0.300, Contrast = 0.518, Connect. = 0.703 for dens.mod. cycle 3 = 0.300, Contrast = 0.611, Connect. = 0.735 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.698, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.710, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.719, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.725, Connect. = 0.771 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1699 peaks > 0.5 sigma used to seed fragment search Space for about 436 unique residues taking solvent into account 396 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 41.801 2.320 0.996 0.908 0.941 0.941 CB 1.652 B: 19 38.690 2.208 0.833 0.930 1.000 0.833 CB 1.575 19 residues pruned to eliminate duplicates C: 13 29.863 2.309 0.825 0.880 0.917 0.667 CA 1.618 D: 18 34.027 2.348 0.519 0.949 1.000 0.941 CA 1.597 18 residues pruned to eliminate duplicates E: 19 41.125 2.336 0.955 0.944 0.944 0.667 CB 1.557 19 residues pruned to eliminate duplicates F: 19 38.526 2.238 0.794 0.945 1.000 0.889 CA 1.566 19 residues pruned to eliminate duplicates G: 19 47.658 2.309 1.347 0.921 1.000 0.778 CB 1.459 H: 11 42.475 2.411 1.136 0.908 1.000 0.800 CB 1.852 11 residues pruned to eliminate duplicates I: 11 28.461 2.319 0.755 0.916 1.000 0.500 CA 1.562 11 residues pruned to eliminate duplicates J: 10 25.997 2.266 1.212 0.875 0.889 0.778 CA 1.414 K: 12 22.639 2.071 1.100 0.878 0.909 0.818 CB 1.253 10 residues pruned to eliminate duplicates L: 55 48.827 2.240 0.880 0.653 0.907 0.667 CB 1.508 38 residues pruned to eliminate duplicates M: 37 35.726 2.121 0.937 0.573 0.889 0.611 CB 1.519 N: 19 42.605 2.278 1.194 0.911 1.000 0.667 CB 1.424 19 residues pruned to eliminate duplicates O: 51 42.160 2.055 1.019 0.512 0.960 0.680 CB 1.479 37 residues pruned to eliminate duplicates P: 19 45.151 2.316 1.352 0.846 0.944 0.667 CB 1.537 19 residues pruned to eliminate duplicates Q: 21 34.153 2.161 0.991 0.893 0.900 0.650 CB 1.416 21 residues pruned to eliminate duplicates R: 11 34.015 2.255 1.276 0.918 1.000 0.800 CB 1.478 11 residues pruned to eliminate duplicates S: 23 24.684 1.934 0.869 0.678 1.000 0.682 CB 1.236 T: 29 28.571 2.202 0.787 0.492 0.857 0.643 CB 1.615 29 residues pruned to eliminate duplicates U: 18 46.655 2.372 1.129 0.930 1.000 0.824 CB 1.568 18 residues pruned to eliminate duplicates V: 12 23.614 2.317 0.878 0.897 0.818 0.727 CA 1.431 W: 12 27.638 2.325 1.190 0.866 0.818 0.545 CA 1.464 12 residues pruned to eliminate duplicates X: 19 47.622 2.300 1.304 0.934 1.000 0.778 CB 1.478 19 residues pruned to eliminate duplicates Y: 19 48.790 2.284 1.312 0.945 1.000 0.667 CB 1.507 19 residues pruned to eliminate duplicates Z: 34 26.775 2.127 0.742 0.438 0.848 0.606 CA 1.581 34 residues pruned to eliminate duplicates Z: 18 46.139 2.354 1.264 0.948 0.941 0.471 CB 1.540 18 residues pruned to eliminate duplicates Z: 20 40.198 2.197 1.168 0.930 0.947 0.684 CB 1.429 20 residues pruned to eliminate duplicates Z: 19 47.563 2.285 1.362 0.918 1.000 0.778 CB 1.465 19 residues pruned to eliminate duplicates Z: 13 22.915 1.921 0.719 0.887 1.000 0.750 CA 1.445 15 residues pruned to eliminate duplicates Z: 18 53.136 2.416 1.402 0.951 1.000 0.471 CB 1.531 19 residues pruned to eliminate duplicates Z: 11 32.655 2.235 1.389 0.911 1.000 0.800 CA 1.370 11 residues pruned to eliminate duplicates Z: 9 34.823 2.338 1.376 0.915 1.000 0.750 CA 1.566 9 residues pruned to eliminate duplicates Z: 18 46.419 2.377 1.093 0.943 0.941 0.765 CB 1.667 18 residues pruned to eliminate duplicates Z: 12 27.655 2.195 1.161 0.820 0.909 0.818 CA 1.465 12 residues pruned to eliminate duplicates Z: 96 62.808 2.171 1.001 0.572 0.937 0.600 CB 1.477 73 residues pruned to eliminate duplicates Z: 12 28.844 2.303 0.934 0.887 0.909 0.818 CA 1.549 12 residues pruned to eliminate duplicates Z: 12 26.138 2.266 0.834 0.897 1.000 0.545 CA 1.357 12 residues pruned to eliminate duplicates Z: 12 22.940 2.291 0.955 0.882 0.909 0.818 CA 1.230 12 residues pruned to eliminate duplicates Z: 18 54.025 2.351 1.555 0.952 1.000 0.588 CB 1.502 18 residues pruned to eliminate duplicates Z: 19 47.384 2.351 1.208 0.940 0.944 0.667 CB 1.582 19 residues pruned to eliminate duplicates Z: 11 33.519 2.458 0.920 0.894 1.000 0.800 CA 1.611 12 residues pruned to eliminate duplicates Z: 24 31.648 2.042 0.843 0.668 1.000 0.696 CA 1.501 24 residues pruned to eliminate duplicates Z: 19 43.267 2.305 1.175 0.934 0.944 0.444 CB 1.502 19 residues pruned to eliminate duplicates Z: 18 45.407 2.371 1.265 0.919 0.941 0.882 CB 1.536 18 residues pruned to eliminate duplicates Z: 12 28.727 2.316 0.902 0.910 1.000 0.545 CA 1.394 12 residues pruned to eliminate duplicates Z: 19 32.991 1.939 1.125 0.947 1.000 0.444 CB 1.304 Z: 42 34.881 2.141 0.854 0.486 0.902 0.610 CB 1.543 27 residues pruned to eliminate duplicates Z: 19 30.744 1.955 1.006 0.933 1.000 0.833 CA 1.290 19 residues pruned to eliminate duplicates Z: 20 46.383 2.177 1.343 0.954 1.000 0.579 CB 1.435 20 residues pruned to eliminate duplicates Z: 12 23.886 2.250 0.964 0.848 0.909 0.636 CA 1.329 12 residues pruned to eliminate duplicates Z: 38 33.069 2.005 0.993 0.573 0.946 0.622 CB 1.340 38 residues pruned to eliminate duplicates Z: 19 42.496 2.233 1.119 0.942 1.000 0.667 CB 1.468 19 residues pruned to eliminate duplicates Z: 20 34.828 2.203 0.853 0.936 1.000 0.947 CB 1.362 20 residues pruned to eliminate duplicates Z: 84 62.270 2.126 1.151 0.611 0.952 0.614 CB 1.413 94 residues pruned to eliminate duplicates Z: 60 40.487 2.196 0.865 0.408 0.915 0.559 CB 1.549 60 residues pruned to eliminate duplicates Z: 19 38.932 2.183 1.119 0.914 0.944 0.444 CB 1.486 19 residues pruned to eliminate duplicates Z: 18 43.343 2.364 1.227 0.936 0.882 0.647 CB 1.576 18 residues pruned to eliminate duplicates Z: 55 34.260 1.856 0.731 0.681 0.944 0.833 CB 1.302 37 residues pruned to eliminate duplicates Z: 11 22.755 2.301 0.671 0.917 0.900 0.800 CA 1.467 11 residues pruned to eliminate duplicates Z: 86 42.878 1.932 0.808 0.572 0.906 0.671 CB 1.371 77 residues pruned to eliminate duplicates Z: 10 28.889 2.154 1.340 0.919 1.000 0.889 CB 1.346 10 residues pruned to eliminate duplicates Z: 19 43.675 2.263 1.302 0.896 0.944 0.556 CB 1.499 19 residues pruned to eliminate duplicates Z: 12 29.913 2.307 0.983 0.907 1.000 0.727 CA 1.401 Z: 21 24.132 1.783 0.851 0.882 0.950 0.300 CB 1.246 Z: 106 67.669 2.186 0.991 0.608 0.914 0.667 CB 1.499 105 residues pruned to eliminate duplicates Z: 11 16.421 2.070 0.150 0.920 1.000 0.900 CB 1.536 11 residues pruned to eliminate duplicates Z: 19 48.397 2.235 1.352 0.937 1.000 0.667 CB 1.510 19 residues pruned to eliminate duplicates Z: 19 26.374 1.874 0.917 0.916 1.000 0.667 CB 1.222 22 residues pruned to eliminate duplicates Z: 18 14.002 2.065 0.878 0.328 0.765 0.471 CB 1.383 18 residues pruned to eliminate duplicates Z: 18 50.668 2.393 1.101 0.954 1.000 0.941 CB 1.682 18 residues pruned to eliminate duplicates Z: 66 54.853 2.218 0.975 0.636 0.923 0.631 CB 1.481 66 residues pruned to eliminate duplicates Z: 108 72.740 2.198 1.103 0.588 0.907 0.607 CB 1.542 95 residues pruned to eliminate duplicates Z: 12 24.186 1.994 0.818 0.924 1.000 0.909 CB 1.412 13 residues pruned to eliminate duplicates Z: 18 48.263 2.422 1.231 0.937 0.941 0.706 CB 1.602 18 residues pruned to eliminate duplicates Z: 14 19.196 1.924 1.252 0.463 0.923 0.692 CA 1.382 14 residues pruned to eliminate duplicates Z: 76 47.197 2.118 0.854 0.512 0.893 0.573 CA 1.535 76 residues pruned to eliminate duplicates Z: 11 33.149 2.429 0.985 0.914 1.000 0.900 CA 1.538 11 residues pruned to eliminate duplicates Z: 39 33.352 1.928 0.791 0.674 0.974 0.789 CB 1.371 39 residues pruned to eliminate duplicates Z: 21 23.504 1.784 0.766 0.908 0.950 0.800 CB 1.247 21 residues pruned to eliminate duplicates Z: 12 26.938 1.957 1.011 0.856 1.000 0.909 CA 1.522 12 residues pruned to eliminate duplicates Z: 11 16.841 1.932 0.492 0.926 1.000 0.900 CB 1.295 11 residues pruned to eliminate duplicates Z: 38 33.575 1.970 0.716 0.682 0.973 0.784 CB 1.419 38 residues pruned to eliminate duplicates Z: 19 32.248 1.947 1.099 0.931 1.000 0.611 CB 1.300 19 residues pruned to eliminate duplicates Z: 17 19.882 1.948 0.716 0.555 1.000 0.688 CA 1.409 17 residues pruned to eliminate duplicates Z: 20 33.660 2.237 0.825 0.920 0.947 0.842 CB 1.406 20 residues pruned to eliminate duplicates Z: 14 15.566 2.103 0.957 0.382 0.846 0.615 CB 1.406 14 residues pruned to eliminate duplicates Z: 10 12.591 1.811 0.881 0.458 0.889 0.778 CA 1.446 10 residues pruned to eliminate duplicates Z: 39 32.029 1.906 0.747 0.656 1.000 0.763 CB 1.351 45 residues pruned to eliminate duplicates Z: 19 34.177 2.170 0.858 0.897 0.944 0.778 CB 1.514 19 residues pruned to eliminate duplicates Z: 10 23.941 2.127 1.435 0.899 0.889 0.778 CB 1.239 10 residues pruned to eliminate duplicates Z: 40 29.609 1.912 0.637 0.686 0.949 0.692 CB 1.346 40 residues pruned to eliminate duplicates Z: 25 27.263 1.940 0.765 0.624 1.000 0.708 CB 1.446 25 residues pruned to eliminate duplicates Z: 58 43.807 2.235 0.880 0.460 0.912 0.596 CB 1.576 58 residues pruned to eliminate duplicates Z: 12 25.094 2.023 0.771 0.889 1.000 1.000 CA 1.520 12 residues pruned to eliminate duplicates Z: 90 61.241 2.240 0.960 0.542 0.921 0.652 CB 1.540 90 residues pruned to eliminate duplicates Z: 44 41.856 2.066 1.106 0.544 0.930 0.651 CB 1.511 44 residues pruned to eliminate duplicates Z: 12 25.195 2.031 0.980 0.875 1.000 0.818 CB 1.374 12 residues pruned to eliminate duplicates Z: 35 34.220 2.003 0.936 0.692 0.912 0.647 CB 1.393 17 residues pruned to eliminate duplicates Z: 10 29.891 2.138 1.438 0.920 1.000 0.889 CB 1.347 10 residues pruned to eliminate duplicates Z: 13 23.969 2.029 1.163 0.817 0.917 0.917 CA 1.307 13 residues pruned to eliminate duplicates Z: 19 25.095 1.927 0.684 0.932 1.000 0.778 CB 1.273 19 residues pruned to eliminate duplicates Z: 19 44.746 2.283 1.270 0.908 1.000 0.611 CB 1.445 19 residues pruned to eliminate duplicates Z: 38 35.349 2.025 1.183 0.586 0.919 0.649 CB 1.317 38 residues pruned to eliminate duplicates Z: 19 31.690 1.950 1.046 0.945 0.944 0.722 CB 1.372 19 residues pruned to eliminate duplicates Z: 12 29.528 2.059 1.377 0.922 1.000 0.636 CA 1.280 12 residues pruned to eliminate duplicates Z: 12 15.277 1.794 0.410 0.913 1.000 0.909 CB 1.289 12 residues pruned to eliminate duplicates Z: 24 31.114 2.006 0.924 0.649 1.000 0.565 CB 1.464 24 residues pruned to eliminate duplicates Z: 17 26.023 2.006 0.962 0.912 0.938 0.688 CA 1.248 17 residues pruned to eliminate duplicates Z: 37 27.659 1.931 0.634 0.628 0.944 0.667 CB 1.372 37 residues pruned to eliminate duplicates Z: 10 26.146 2.076 1.464 0.878 1.000 0.778 CB 1.236 10 residues pruned to eliminate duplicates Z: 66 57.846 2.252 0.996 0.660 0.908 0.646 CB 1.516 65 residues pruned to eliminate duplicates Z: 14 15.140 1.739 0.491 0.889 1.000 0.923 CA 1.166 14 residues pruned to eliminate duplicates Z: 6 9.686 1.774 0.448 0.775 1.000 0.800 CA 1.322 6 residues pruned to eliminate duplicates Z: 19 27.897 1.935 0.877 0.934 1.000 0.778 CB 1.263 19 residues pruned to eliminate duplicates Z: 12 25.304 2.261 0.951 0.881 1.000 0.818 CA 1.252 12 residues pruned to eliminate duplicates Z: 12 26.481 2.044 0.867 0.897 1.000 0.818 CB 1.498 13 residues pruned to eliminate duplicates Z: 12 16.439 1.932 0.992 0.859 0.818 0.455 CA 1.158 12 residues pruned to eliminate duplicates Z: 91 63.890 2.193 0.992 0.550 0.944 0.500 CB 1.554 91 residues pruned to eliminate duplicates Z: 12 21.020 2.147 0.917 0.804 0.818 0.636 CB 1.443 12 residues pruned to eliminate duplicates Z: 59 47.375 2.122 1.031 0.570 0.914 0.741 CB 1.477 56 residues pruned to eliminate duplicates Z: 11 18.907 1.965 1.209 0.904 0.900 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 91 61.813 2.194 1.103 0.570 0.889 0.533 CB 1.485 91 residues pruned to eliminate duplicates Z: 10 29.452 2.149 1.351 0.922 1.000 0.889 CB 1.367 10 residues pruned to eliminate duplicates Z: 19 46.164 2.243 1.129 0.931 1.000 0.778 CB 1.592 19 residues pruned to eliminate duplicates Z: 10 26.446 2.136 1.277 0.903 1.000 0.667 CB 1.292 10 residues pruned to eliminate duplicates Z: 18 28.639 1.966 0.880 0.935 1.000 0.588 CB 1.310 18 residues pruned to eliminate duplicates Z: 18 47.568 2.332 1.136 0.946 1.000 0.765 CB 1.602 18 residues pruned to eliminate duplicates Z: 12 24.347 1.977 0.786 0.932 1.000 0.727 CB 1.452 14 residues pruned to eliminate duplicates Z: 55 39.374 2.206 0.781 0.459 0.907 0.556 CB 1.567 55 residues pruned to eliminate duplicates Z: 12 17.526 1.961 0.370 0.921 1.000 0.909 CA 1.384 12 residues pruned to eliminate duplicates Z: 8 6.654 1.830 0.808 0.468 0.714 0.714 CB 1.100 Z: 26 34.799 2.160 1.016 0.579 0.920 0.560 CA 1.611 26 residues pruned to eliminate duplicates Z: 26 27.902 1.956 0.821 0.631 0.960 0.800 CB 1.443 26 residues pruned to eliminate duplicates Z: 10 26.769 2.108 1.222 0.915 1.000 1.000 CB 1.346 10 residues pruned to eliminate duplicates Z: 19 25.225 1.909 0.813 0.919 1.000 0.778 CB 1.211 19 residues pruned to eliminate duplicates Z: 6 4.367 1.568 0.867 0.485 0.800 0.600 CB 0.846 Z: 9 4.928 1.615 -0.161 0.655 0.875 0.750 C 1.272 Z: 10 14.546 2.099 0.798 0.805 0.889 0.333 CB 1.108 10 residues pruned to eliminate duplicates Z: 8 4.602 1.610 0.758 0.611 0.714 0.714 CB 0.775 Z: 48 39.245 2.145 0.761 0.534 0.979 0.638 CB 1.498 48 residues pruned to eliminate duplicates Z: 13 28.335 1.942 1.066 0.893 1.000 0.750 CA 1.463 13 residues pruned to eliminate duplicates Z: 12 27.352 2.034 1.002 0.867 1.000 0.636 CA 1.483 12 residues pruned to eliminate duplicates Z: 10 29.792 2.167 1.452 0.915 1.000 0.889 CB 1.321 10 residues pruned to eliminate duplicates Z: 19 12.670 1.927 0.449 0.379 0.833 0.611 CB 1.460 19 residues pruned to eliminate duplicates Z: 11 16.009 1.931 0.371 0.912 1.000 0.800 CB 1.355 11 residues pruned to eliminate duplicates Z: 26 28.610 2.126 0.953 0.462 0.920 0.520 CA 1.557 26 residues pruned to eliminate duplicates Z: 11 25.929 1.935 1.585 0.915 1.000 0.800 CB 1.159 11 residues pruned to eliminate duplicates Z: 26 30.958 1.960 0.971 0.715 0.960 0.640 CB 1.374 26 residues pruned to eliminate duplicates Z: 10 23.215 2.088 1.319 0.885 0.889 0.778 CB 1.298 10 residues pruned to eliminate duplicates Z: 19 27.500 1.900 0.906 0.922 1.000 0.500 CB 1.259 18 residues pruned to eliminate duplicates Z: 33 38.619 2.083 0.908 0.730 1.000 0.688 CB 1.396 34 residues pruned to eliminate duplicates Z: 13 16.852 1.757 0.551 0.866 1.000 0.833 CB 1.306 13 residues pruned to eliminate duplicates Z: 7 11.259 1.765 0.555 0.811 0.833 0.500 CA 1.533 7 residues pruned to eliminate duplicates Z: 8 5.543 1.664 0.218 0.723 1.000 0.857 CB 0.846 8 residues pruned to eliminate duplicates Z: 22 20.979 1.913 0.811 0.709 0.857 0.619 CA 1.276 22 residues pruned to eliminate duplicates Z: 20 16.462 1.694 0.418 0.813 0.947 0.632 CB 1.264 20 residues pruned to eliminate duplicates Z: 6 5.601 1.903 -0.063 0.675 0.800 0.800 CB 1.495 7 residues pruned to eliminate duplicates Z: 29 35.389 2.050 0.800 0.755 1.000 0.714 CA 1.445 29 residues pruned to eliminate duplicates Z: 7 8.180 1.767 0.661 0.764 0.667 0.500 CB 1.350 7 residues pruned to eliminate duplicates Z: 17 18.870 1.981 0.331 0.939 1.000 0.875 CA 1.243 17 residues pruned to eliminate duplicates Z: 16 27.506 2.192 0.848 0.811 1.000 0.600 CB 1.337 16 residues pruned to eliminate duplicates Z: 47 34.547 2.073 0.868 0.505 0.891 0.609 CB 1.468 47 residues pruned to eliminate duplicates Z: 21 18.104 1.902 0.651 0.618 0.850 0.500 CB 1.357 21 residues pruned to eliminate duplicates Z: 12 25.646 2.031 0.814 0.889 1.000 0.818 CA 1.512 12 residues pruned to eliminate duplicates Z: 23 28.042 1.976 0.867 0.727 1.000 0.682 CB 1.320 23 residues pruned to eliminate duplicates Z: 6 4.281 1.834 0.799 0.480 0.600 0.600 CB 0.987 Z: 6 6.545 1.427 1.127 0.776 0.800 0.400 CA 0.945 Z: 11 21.852 2.308 0.736 0.850 0.800 0.500 CB 1.597 11 residues pruned to eliminate duplicates Z: 7 5.691 1.363 0.982 0.820 1.000 0.667 CA 0.651 7 residues pruned to eliminate duplicates Z: 43 38.537 2.160 0.924 0.572 0.929 0.714 CB 1.437 43 residues pruned to eliminate duplicates Z: 19 17.978 1.878 0.323 0.925 1.000 0.944 CA 1.196 19 residues pruned to eliminate duplicates Z: 90 53.516 2.151 0.870 0.545 0.921 0.618 CB 1.464 90 residues pruned to eliminate duplicates Z: 18 44.721 2.327 1.245 0.887 1.000 0.765 CB 1.497 18 residues pruned to eliminate duplicates Z: 36 31.860 1.942 0.891 0.690 0.943 0.686 CB 1.306 36 residues pruned to eliminate duplicates Z: 10 6.022 1.658 0.058 0.528 0.889 0.667 CB 1.253 Z: 23 23.034 1.962 0.841 0.660 0.955 0.682 CB 1.228 23 residues pruned to eliminate duplicates Z: 11 28.592 2.170 1.153 0.909 1.000 0.900 CA 1.374 11 residues pruned to eliminate duplicates Z: 13 19.107 1.770 0.685 0.930 1.000 0.917 CB 1.294 13 residues pruned to eliminate duplicates Z: 19 31.548 1.872 1.102 0.951 1.000 0.444 CB 1.302 19 residues pruned to eliminate duplicates Z: 7 4.761 1.488 0.475 0.600 0.833 0.667 CB 0.966 7 residues pruned to eliminate duplicates Z: 8 4.598 1.694 0.436 0.566 0.714 0.714 CB 0.939 Z: 14 12.763 1.661 0.411 0.899 0.923 0.846 CA 1.170 14 residues pruned to eliminate duplicates Z: 30 25.234 1.987 0.869 0.566 0.828 0.621 CB 1.431 30 residues pruned to eliminate duplicates Z: 20 17.232 1.680 0.614 0.788 0.947 0.632 CB 1.194 20 residues pruned to eliminate duplicates Z: 17 26.335 1.969 0.789 0.938 1.000 0.688 CB 1.299 17 residues pruned to eliminate duplicates Z: 6 6.667 1.723 0.623 0.487 0.800 0.800 CB 1.350 6 residues pruned to eliminate duplicates Z: 9 16.013 1.810 0.915 0.781 1.000 0.625 CB 1.275 Z: 6 5.098 1.734 0.470 0.820 1.000 1.000 CB 0.678 6 residues pruned to eliminate duplicates Z: 18 22.320 1.736 0.818 0.928 1.000 0.706 CB 1.201 16 residues pruned to eliminate duplicates Z: 11 19.140 1.941 1.144 0.904 0.900 0.900 CB 1.151 11 residues pruned to eliminate duplicates Z: 10 20.195 2.064 0.916 0.886 1.000 0.889 CB 1.228 10 residues pruned to eliminate duplicates Z: 6 5.167 1.533 0.633 0.565 0.800 0.400 C 1.083 6 residues pruned to eliminate duplicates Z: 9 14.440 1.966 0.940 0.597 0.875 0.625 CA 1.394 9 residues pruned to eliminate duplicates Z: 8 3.495 1.531 0.137 0.509 0.857 0.429 C 0.877 Z: 44 34.426 2.148 0.788 0.486 0.907 0.558 CB 1.529 44 residues pruned to eliminate duplicates Z: 24 31.555 2.033 0.961 0.671 0.957 0.739 CB 1.473 24 residues pruned to eliminate duplicates Z: 58 30.060 1.835 0.664 0.636 0.930 0.737 CB 1.234 58 residues pruned to eliminate duplicates Z: 9 13.784 1.661 0.766 0.796 1.000 0.750 CB 1.282 Z: 29 28.782 1.919 0.804 0.732 0.964 0.714 CA 1.322 29 residues pruned to eliminate duplicates Z: 7 6.839 1.659 0.194 0.669 1.000 1.000 C 1.205 Z: 11 4.876 1.589 0.143 0.410 0.700 0.500 C 1.333 Z: 23 16.928 1.844 0.563 0.514 0.909 0.727 CB 1.358 23 residues pruned to eliminate duplicates Z: 22 19.122 1.824 0.755 0.695 0.952 0.714 CB 1.146 22 residues pruned to eliminate duplicates Z: 9 8.426 1.744 0.871 0.475 0.875 0.500 CB 1.070 9 residues pruned to eliminate duplicates Z: 17 10.968 1.531 0.529 0.668 1.000 0.562 CB 1.003 17 residues pruned to eliminate duplicates Z: 12 23.423 2.012 0.709 0.890 1.000 0.727 CB 1.478 12 residues pruned to eliminate duplicates Z: 39 25.233 1.893 0.572 0.632 0.921 0.737 CB 1.320 39 residues pruned to eliminate duplicates Z: 12 23.863 2.009 0.793 0.878 1.000 0.636 CB 1.449 12 residues pruned to eliminate duplicates Z: 6 2.640 1.682 0.027 0.470 0.600 0.600 CB 1.175 Z: 17 14.455 1.785 0.769 0.539 0.875 0.500 CB 1.258 17 residues pruned to eliminate duplicates Z: 31 26.580 2.182 1.034 0.350 0.833 0.433 CB 1.544 31 residues pruned to eliminate duplicates Z: 8 18.365 2.059 0.837 0.892 1.000 0.857 CB 1.318 8 residues pruned to eliminate duplicates Z: 6 6.475 1.648 0.315 0.636 1.000 0.800 CB 1.176 Z: 7 4.836 1.502 0.667 0.457 0.833 0.500 CB 0.988 6 residues pruned to eliminate duplicates Z: 11 27.174 2.079 1.151 0.911 1.000 0.900 CB 1.362 11 residues pruned to eliminate duplicates Z: 59 47.179 2.161 1.029 0.449 0.948 0.603 CB 1.570 59 residues pruned to eliminate duplicates Z: 31 26.012 1.936 0.772 0.646 0.867 0.667 CA 1.394 31 residues pruned to eliminate duplicates Z: 8 5.494 1.693 0.107 0.575 0.857 0.714 CB 1.203 10 residues pruned to eliminate duplicates Z: 13 17.393 1.744 0.699 0.881 1.000 0.417 CA 1.227 13 residues pruned to eliminate duplicates Z: 19 19.006 1.924 0.460 0.918 1.000 0.944 CA 1.125 19 residues pruned to eliminate duplicates Z: 75 46.313 2.119 0.849 0.494 0.892 0.554 CB 1.550 75 residues pruned to eliminate duplicates Z: 18 41.394 2.321 1.226 0.926 0.941 0.529 CB 1.448 18 residues pruned to eliminate duplicates Z: 6 3.022 1.471 0.066 0.458 0.800 0.800 C 1.125 Z: 9 8.560 1.674 0.746 0.461 0.875 0.625 N 1.231 6 residues pruned to eliminate duplicates Z: 19 21.469 1.908 0.629 0.908 0.944 0.722 CA 1.224 19 residues pruned to eliminate duplicates Z: 32 32.013 1.969 0.798 0.734 0.968 0.645 CB 1.360 32 residues pruned to eliminate duplicates Z: 22 26.096 2.009 0.886 0.612 1.000 0.667 CB 1.352 22 residues pruned to eliminate duplicates Z: 7 2.998 1.542 0.037 0.391 0.667 0.500 CA 1.288 Z: 65 60.363 2.224 1.083 0.645 0.938 0.578 CB 1.517 65 residues pruned to eliminate duplicates Z: 18 44.710 2.361 1.194 0.919 0.941 0.706 CB 1.567 18 residues pruned to eliminate duplicates Z: 56 53.620 2.203 1.128 0.623 0.945 0.655 CB 1.453 56 residues pruned to eliminate duplicates Z: 6 3.481 1.877 -0.129 0.470 0.600 0.600 O 1.637 Z: 19 20.844 1.882 0.566 0.925 1.000 1.000 CA 1.170 19 residues pruned to eliminate duplicates Z: 9 14.435 1.883 0.685 0.794 1.000 0.875 CB 1.243 9 residues pruned to eliminate duplicates Z: 21 19.281 1.813 0.544 0.879 0.950 0.750 CA 1.176 21 residues pruned to eliminate duplicates Z: 6 4.053 1.565 0.523 0.433 1.000 0.400 CB 0.815 Z: 63 35.952 2.097 0.833 0.414 0.871 0.565 CB 1.492 63 residues pruned to eliminate duplicates Z: 13 6.071 1.786 0.522 0.373 0.583 0.583 CB 1.265 13 residues pruned to eliminate duplicates Z: 6 7.582 1.719 0.534 0.626 0.800 0.400 CB 1.427 6 residues pruned to eliminate duplicates Z: 20 19.816 1.833 0.513 0.917 1.000 0.947 CA 1.157 20 residues pruned to eliminate duplicates Z: 6 3.393 1.644 0.274 0.464 0.600 0.400 CB 1.253 Z: 9 10.998 1.731 0.469 0.692 1.000 1.000 CB 1.283 8 residues pruned to eliminate duplicates Z: 43 38.937 2.224 0.943 0.460 0.881 0.548 CB 1.645 43 residues pruned to eliminate duplicates Z: 18 21.888 2.070 0.993 0.570 0.882 0.706 CB 1.362 18 residues pruned to eliminate duplicates Z: 19 49.083 2.291 1.306 0.924 1.000 0.667 CB 1.537 19 residues pruned to eliminate duplicates Z: 14 7.376 1.608 0.873 0.363 0.846 0.692 CB 0.930 8 residues pruned to eliminate duplicates Z: 40 34.617 1.970 0.941 0.563 0.949 0.615 CB 1.438 40 residues pruned to eliminate duplicates Z: 17 18.450 2.074 0.802 0.475 0.938 0.625 CB 1.350 17 residues pruned to eliminate duplicates Z: 19 27.261 2.116 1.089 0.580 0.944 0.389 CB 1.426 27 residues pruned to eliminate duplicates Z: 45 29.357 2.087 0.716 0.438 0.864 0.614 CB 1.526 45 residues pruned to eliminate duplicates Z: 6 2.560 1.542 0.281 0.408 0.600 0.400 CB 1.063 Z: 31 15.170 1.745 0.582 0.433 0.767 0.533 CA 1.403 31 residues pruned to eliminate duplicates Z: 15 15.860 2.041 1.036 0.456 0.786 0.643 CB 1.358 15 residues pruned to eliminate duplicates Z: 21 18.825 1.779 0.559 0.897 1.000 0.850 CA 1.087 22 residues pruned to eliminate duplicates Z: 20 24.093 1.850 0.824 0.896 0.947 0.737 CA 1.239 20 residues pruned to eliminate duplicates Z: 19 54.156 2.286 1.487 0.957 1.000 0.389 CB 1.541 19 residues pruned to eliminate duplicates Z: 11 24.907 2.045 0.988 0.890 1.000 0.600 CB 1.394 11 residues pruned to eliminate duplicates Z: 35 47.558 2.210 1.102 0.781 0.912 0.676 CB 1.502 35 residues pruned to eliminate duplicates Z: 12 17.093 1.801 0.592 0.919 1.000 0.818 CB 1.267 12 residues pruned to eliminate duplicates Z: 36 36.074 2.049 0.986 0.582 0.943 0.714 CB 1.469 36 residues pruned to eliminate duplicates Z: 31 38.558 2.105 0.974 0.655 0.933 0.700 CA 1.572 31 residues pruned to eliminate duplicates Z: 41 33.847 2.105 0.949 0.575 0.900 0.675 CB 1.349 41 residues pruned to eliminate duplicates Z: 13 11.515 1.721 0.220 0.879 0.917 0.750 CA 1.252 13 residues pruned to eliminate duplicates Z: 12 26.674 2.242 1.079 0.891 1.000 0.727 CA 1.241 12 residues pruned to eliminate duplicates Z: 29 20.231 1.989 0.899 0.369 0.786 0.500 CB 1.483 29 residues pruned to eliminate duplicates Z: 19 23.980 1.930 0.676 0.923 1.000 0.833 CB 1.228 19 residues pruned to eliminate duplicates Z: 9 3.200 1.576 0.789 0.185 0.625 0.250 CB 0.938 Z: 12 9.647 1.604 0.650 0.357 0.909 0.364 CB 1.411 12 residues pruned to eliminate duplicates Z: 15 19.117 1.992 0.978 0.486 0.929 0.571 CB 1.417 15 residues pruned to eliminate duplicates Z: 18 19.592 1.943 0.605 0.903 0.941 0.941 CA 1.154 18 residues pruned to eliminate duplicates Z: 7 5.075 1.398 0.340 0.636 1.000 0.833 CB 0.974 8 residues pruned to eliminate duplicates Z: 93 57.522 2.181 0.962 0.524 0.913 0.533 CB 1.499 93 residues pruned to eliminate duplicates Z: 108 73.118 2.180 0.989 0.603 0.953 0.720 CB 1.550 108 residues pruned to eliminate duplicates Z: 10 26.398 2.130 1.123 0.912 1.000 0.889 CB 1.378 10 residues pruned to eliminate duplicates Z: 20 22.878 1.857 0.784 0.890 0.947 0.789 CA 1.203 20 residues pruned to eliminate duplicates Z: 19 18.287 1.888 0.404 0.904 1.000 0.889 CA 1.158 19 residues pruned to eliminate duplicates Z: 76 45.175 2.125 0.824 0.514 0.893 0.680 CB 1.485 76 residues pruned to eliminate duplicates Z: 46 36.946 2.127 0.829 0.527 0.933 0.689 CB 1.477 46 residues pruned to eliminate duplicates Z: 20 17.479 1.762 0.405 0.901 1.000 0.947 CA 1.156 20 residues pruned to eliminate duplicates Z: 25 26.988 2.110 0.871 0.471 0.958 0.667 CB 1.500 25 residues pruned to eliminate duplicates Z: 19 25.333 1.927 0.701 0.931 1.000 0.611 CB 1.273 19 residues pruned to eliminate duplicates Z: 32 31.076 2.148 0.787 0.529 0.935 0.548 CB 1.510 32 residues pruned to eliminate duplicates Z: 62 36.290 2.070 0.700 0.491 0.918 0.656 CB 1.452 62 residues pruned to eliminate duplicates Z: 27 23.065 1.978 0.801 0.596 0.769 0.654 CB 1.505 27 residues pruned to eliminate duplicates Z: 17 34.087 2.222 1.290 0.929 0.875 0.375 CB 1.339 17 residues pruned to eliminate duplicates Z: 22 25.472 2.010 1.078 0.558 0.905 0.619 CB 1.390 22 residues pruned to eliminate duplicates Z: 17 28.577 1.938 0.982 0.936 1.000 0.750 CB 1.295 17 residues pruned to eliminate duplicates Z: 61 47.486 2.069 1.014 0.667 0.900 0.667 CB 1.401 61 residues pruned to eliminate duplicates Z: 34 33.454 2.018 0.800 0.697 0.970 0.727 CB 1.382 34 residues pruned to eliminate duplicates Z: 22 18.150 1.700 0.460 0.874 1.000 0.810 CA 1.162 22 residues pruned to eliminate duplicates Z: 36 50.757 2.266 1.168 0.786 0.914 0.743 CB 1.485 36 residues pruned to eliminate duplicates Z: 6 5.140 1.648 0.414 0.743 0.800 0.400 CA 0.992 Z: 10 27.017 2.129 1.331 0.917 1.000 1.000 CB 1.281 10 residues pruned to eliminate duplicates Z: 34 30.035 2.009 0.663 0.695 0.970 0.606 CB 1.351 34 residues pruned to eliminate duplicates Z: 6 3.954 1.506 0.524 0.274 1.000 0.600 CA 0.995 6 residues pruned to eliminate duplicates Z: 6 2.340 1.353 0.956 0.337 0.800 0.400 CB 0.590 Z: 38 33.492 1.956 0.745 0.709 0.973 0.784 CB 1.372 39 residues pruned to eliminate duplicates Z: 19 16.262 1.847 0.371 0.933 1.000 0.944 CA 1.056 19 residues pruned to eliminate duplicates Z: 32 21.391 1.910 0.346 0.715 0.968 0.806 CB 1.271 32 residues pruned to eliminate duplicates Z: 41 41.309 2.187 0.909 0.507 0.975 0.725 CA 1.594 41 residues pruned to eliminate duplicates Z: 7 4.363 1.513 0.217 0.525 0.833 0.667 CA 1.132 7 residues pruned to eliminate duplicates Z: 28 29.841 1.942 0.914 0.612 0.926 0.667 CA 1.501 28 residues pruned to eliminate duplicates Z: 8 3.127 1.603 0.785 0.356 0.571 0.286 CB 0.845 Z: 60 40.357 1.886 0.861 0.651 1.000 0.695 CB 1.300 60 residues pruned to eliminate duplicates Z: 23 20.233 2.048 0.647 0.576 0.818 0.591 CB 1.453 23 residues pruned to eliminate duplicates 289 residues left after pruning, divided into chains as follows: A: 107 B: 36 C: 146 CC for partial structure against native data = 49.65 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.513, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.598, Connect. = 0.744 for dens.mod. cycle 2 = 0.300, Contrast = 0.712, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.724, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.736, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.738, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.743, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.743, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.744, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.744, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1808 peaks > 0.5 sigma used to seed fragment search Space for about 436 unique residues taking solvent into account 409 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 36.892 2.200 0.958 0.941 0.947 0.632 CB 1.439 B: 11 41.226 2.370 1.361 0.912 1.000 0.800 CA 1.649 C: 12 31.939 2.353 0.924 0.877 0.909 0.727 CB 1.699 D: 12 35.523 2.397 0.924 0.895 1.000 0.636 CA 1.665 12 residues pruned to eliminate duplicates E: 19 41.785 2.261 1.044 0.921 1.000 0.833 CB 1.500 20 residues pruned to eliminate duplicates F: 11 27.887 2.264 1.005 0.858 0.900 0.900 CB 1.589 11 residues pruned to eliminate duplicates G: 11 29.210 2.416 0.658 0.905 1.000 0.500 CA 1.641 H: 12 27.435 2.368 0.467 0.923 1.000 0.818 CA 1.672 12 residues pruned to eliminate duplicates I: 12 17.119 2.133 0.605 0.868 0.818 0.818 CA 1.347 12 residues pruned to eliminate duplicates J: 20 38.704 2.265 1.135 0.880 0.947 0.579 CB 1.404 K: 19 41.223 2.389 0.965 0.881 0.944 0.889 CB 1.588 20 residues pruned to eliminate duplicates L: 76 51.094 2.208 0.714 0.516 0.947 0.667 CB 1.621 12 residues pruned to eliminate duplicates M: 13 35.286 2.321 0.996 0.889 0.917 0.667 CB 1.726 13 residues pruned to eliminate duplicates N: 11 31.764 2.455 0.800 0.885 0.900 0.800 CB 1.823 11 residues pruned to eliminate duplicates O: 13 30.403 2.314 0.844 0.901 0.917 0.750 CB 1.602 13 residues pruned to eliminate duplicates P: 19 46.275 2.367 0.930 0.949 1.000 0.944 CB 1.647 18 residues pruned to eliminate duplicates Q: 74 61.866 2.318 0.816 0.598 0.973 0.644 CB 1.611 73 residues pruned to eliminate duplicates R: 11 32.567 2.364 1.379 0.928 0.900 0.800 CA 1.425 11 residues pruned to eliminate duplicates S: 11 34.198 2.468 1.035 0.909 0.900 0.700 CA 1.697 10 residues pruned to eliminate duplicates T: 50 28.631 2.046 0.729 0.472 0.837 0.653 CB 1.422 U: 19 50.230 2.337 1.363 0.907 0.944 0.667 CB 1.614 20 residues pruned to eliminate duplicates V: 14 15.909 1.880 0.415 0.910 1.000 0.846 CA 1.176 14 residues pruned to eliminate duplicates W: 19 37.803 2.337 1.017 0.902 0.889 0.778 CA 1.517 19 residues pruned to eliminate duplicates X: 18 51.568 2.462 1.234 0.940 0.941 0.706 CA 1.678 18 residues pruned to eliminate duplicates Y: 18 44.461 2.389 0.882 0.943 1.000 0.941 CB 1.662 18 residues pruned to eliminate duplicates Z: 18 47.963 2.299 1.262 0.915 1.000 0.412 CB 1.581 18 residues pruned to eliminate duplicates Z: 108 72.736 2.275 0.923 0.605 0.907 0.607 CB 1.605 82 residues pruned to eliminate duplicates Z: 37 41.044 2.226 0.831 0.590 0.917 0.722 CA 1.680 37 residues pruned to eliminate duplicates Z: 23 30.253 2.042 0.838 0.676 0.955 0.682 CA 1.530 23 residues pruned to eliminate duplicates Z: 18 25.062 2.047 0.686 0.915 0.882 0.471 CA 1.410 Z: 12 21.616 2.244 0.938 0.819 0.727 0.636 CA 1.562 12 residues pruned to eliminate duplicates Z: 19 43.142 2.335 1.170 0.887 0.944 0.722 CB 1.531 19 residues pruned to eliminate duplicates Z: 57 43.055 2.220 0.957 0.447 0.875 0.589 CB 1.598 57 residues pruned to eliminate duplicates Z: 12 28.245 2.360 0.782 0.903 1.000 0.727 CA 1.444 12 residues pruned to eliminate duplicates Z: 19 49.368 2.359 1.223 0.933 0.944 0.556 CB 1.639 19 residues pruned to eliminate duplicates Z: 80 48.373 2.190 0.751 0.489 0.886 0.646 CB 1.619 80 residues pruned to eliminate duplicates Z: 79 52.598 2.179 0.851 0.532 0.897 0.577 CB 1.594 78 residues pruned to eliminate duplicates Z: 13 25.803 1.994 0.714 0.868 1.000 0.583 CA 1.593 13 residues pruned to eliminate duplicates Z: 18 47.986 2.460 1.145 0.946 0.941 0.882 CA 1.621 18 residues pruned to eliminate duplicates Z: 11 24.789 2.357 0.560 0.904 0.900 0.600 CA 1.688 11 residues pruned to eliminate duplicates Z: 18 44.577 2.387 1.021 0.933 0.941 0.588 CB 1.661 18 residues pruned to eliminate duplicates Z: 18 46.656 2.352 1.127 0.937 0.941 0.529 CB 1.673 18 residues pruned to eliminate duplicates Z: 20 46.211 2.240 1.452 0.934 0.947 0.368 CB 1.421 20 residues pruned to eliminate duplicates Z: 18 49.122 2.417 1.010 0.945 1.000 0.941 CB 1.697 18 residues pruned to eliminate duplicates Z: 19 36.019 2.003 1.077 0.929 1.000 0.500 CA 1.429 18 residues pruned to eliminate duplicates Z: 18 47.112 2.400 1.123 0.944 0.941 0.471 CB 1.650 18 residues pruned to eliminate duplicates Z: 19 49.330 2.235 1.260 0.892 1.000 0.444 CB 1.654 19 residues pruned to eliminate duplicates Z: 47 40.518 2.165 0.835 0.532 0.935 0.565 CB 1.558 47 residues pruned to eliminate duplicates Z: 20 38.146 2.278 1.005 0.934 0.947 0.789 CA 1.410 20 residues pruned to eliminate duplicates Z: 19 49.485 2.278 1.159 0.923 1.000 0.389 CB 1.666 19 residues pruned to eliminate duplicates Z: 58 52.155 2.135 0.984 0.647 0.947 0.596 CB 1.500 58 residues pruned to eliminate duplicates Z: 111 69.291 2.215 0.916 0.596 0.909 0.664 CB 1.562 110 residues pruned to eliminate duplicates Z: 12 32.918 2.336 1.021 0.897 1.000 0.727 CA 1.505 12 residues pruned to eliminate duplicates Z: 49 40.354 2.187 0.757 0.518 0.917 0.604 CA 1.624 49 residues pruned to eliminate duplicates Z: 90 48.320 2.116 0.662 0.505 0.933 0.618 CB 1.553 90 residues pruned to eliminate duplicates Z: 76 51.356 2.206 0.768 0.519 0.920 0.613 CB 1.621 76 residues pruned to eliminate duplicates Z: 11 33.423 2.458 0.838 0.906 0.900 0.900 CB 1.849 11 residues pruned to eliminate duplicates Z: 19 45.610 2.271 1.117 0.926 1.000 0.611 CB 1.568 19 residues pruned to eliminate duplicates Z: 19 38.647 2.225 0.918 0.926 1.000 0.722 CB 1.497 19 residues pruned to eliminate duplicates Z: 12 32.288 2.382 0.981 0.898 1.000 0.727 CA 1.476 12 residues pruned to eliminate duplicates Z: 19 33.331 2.040 0.937 0.941 1.000 0.611 CA 1.380 19 residues pruned to eliminate duplicates Z: 10 30.053 2.289 1.187 0.892 1.000 0.889 CB 1.438 10 residues pruned to eliminate duplicates Z: 12 18.767 2.054 0.214 0.927 1.000 1.000 CA 1.589 12 residues pruned to eliminate duplicates Z: 38 33.412 2.022 0.616 0.699 0.973 0.865 CB 1.441 Z: 19 42.727 2.334 1.139 0.917 0.944 0.778 CA 1.507 19 residues pruned to eliminate duplicates Z: 12 20.853 2.059 0.387 0.903 1.000 1.000 CA 1.570 12 residues pruned to eliminate duplicates Z: 110 74.021 2.233 0.953 0.596 0.945 0.670 CB 1.570 109 residues pruned to eliminate duplicates Z: 18 36.755 2.338 0.729 0.932 0.941 0.882 CA 1.636 18 residues pruned to eliminate duplicates Z: 19 30.037 1.990 0.787 0.948 1.000 0.833 CB 1.375 19 residues pruned to eliminate duplicates Z: 17 14.140 1.996 0.725 0.345 0.812 0.500 CA 1.495 17 residues pruned to eliminate duplicates Z: 13 19.059 1.957 0.538 0.915 1.000 0.833 CA 1.292 13 residues pruned to eliminate duplicates Z: 6 9.101 2.069 -0.162 0.861 1.000 1.000 CB 1.725 Z: 20 31.254 1.917 0.940 0.916 1.000 0.632 CA 1.361 20 residues pruned to eliminate duplicates Z: 12 23.390 1.982 1.202 0.872 0.909 0.727 CA 1.296 12 residues pruned to eliminate duplicates Z: 12 26.931 2.264 0.813 0.846 0.909 0.636 CB 1.617 12 residues pruned to eliminate duplicates Z: 9 12.415 2.001 0.604 0.451 0.875 0.500 CA 1.644 10 residues pruned to eliminate duplicates Z: 19 33.066 1.975 1.058 0.932 0.944 0.611 CB 1.418 19 residues pruned to eliminate duplicates Z: 44 37.824 2.234 1.000 0.538 0.860 0.651 CB 1.446 44 residues pruned to eliminate duplicates Z: 38 38.026 2.166 0.751 0.576 0.946 0.676 CB 1.620 38 residues pruned to eliminate duplicates Z: 12 15.351 1.887 0.296 0.899 1.000 0.818 CA 1.353 14 residues pruned to eliminate duplicates Z: 19 51.806 2.310 1.346 0.950 1.000 0.500 CA 1.555 19 residues pruned to eliminate duplicates Z: 39 31.421 1.984 0.590 0.670 0.974 0.632 CB 1.418 39 residues pruned to eliminate duplicates Z: 12 28.278 2.355 0.760 0.904 1.000 0.727 CA 1.465 12 residues pruned to eliminate duplicates Z: 65 40.592 1.973 0.624 0.636 0.984 0.719 CB 1.416 63 residues pruned to eliminate duplicates Z: 24 31.361 2.094 0.705 0.622 1.000 0.696 CA 1.633 24 residues pruned to eliminate duplicates Z: 37 34.429 2.052 0.644 0.703 0.972 0.722 CB 1.455 37 residues pruned to eliminate duplicates Z: 12 30.800 2.139 1.484 0.905 1.000 0.818 CA 1.244 12 residues pruned to eliminate duplicates Z: 33 31.899 2.021 0.599 0.730 1.000 0.688 CB 1.418 33 residues pruned to eliminate duplicates Z: 11 23.285 2.248 0.860 0.804 0.900 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 36 35.755 2.083 0.769 0.724 0.914 0.600 CB 1.466 19 residues pruned to eliminate duplicates Z: 18 48.710 2.432 1.194 0.933 0.941 0.471 CB 1.642 18 residues pruned to eliminate duplicates Z: 14 19.589 2.135 0.651 0.527 1.000 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 10 36.705 2.433 1.325 0.909 0.889 0.778 CB 1.727 10 residues pruned to eliminate duplicates Z: 12 27.008 2.018 1.349 0.917 0.909 0.636 CB 1.333 12 residues pruned to eliminate duplicates Z: 19 33.877 1.992 0.951 0.954 1.000 0.722 CB 1.413 19 residues pruned to eliminate duplicates Z: 35 23.491 1.963 0.422 0.678 0.941 0.765 CB 1.302 35 residues pruned to eliminate duplicates Z: 11 26.943 2.197 1.160 0.879 0.900 0.700 CB 1.446 11 residues pruned to eliminate duplicates Z: 19 49.096 2.307 1.327 0.915 1.000 0.556 CB 1.523 19 residues pruned to eliminate duplicates Z: 78 47.168 2.162 0.775 0.486 0.909 0.545 CB 1.562 78 residues pruned to eliminate duplicates Z: 11 24.024 2.065 1.412 0.870 0.900 0.600 CB 1.237 11 residues pruned to eliminate duplicates Z: 17 46.606 2.267 1.377 0.934 1.000 0.875 CA 1.507 17 residues pruned to eliminate duplicates Z: 77 53.906 2.189 0.847 0.527 0.934 0.605 CB 1.594 77 residues pruned to eliminate duplicates Z: 37 27.411 2.028 0.429 0.684 0.917 0.778 CB 1.452 37 residues pruned to eliminate duplicates Z: 9 17.013 2.027 0.816 0.854 0.875 0.750 CB 1.379 9 residues pruned to eliminate duplicates Z: 25 25.678 1.957 0.790 0.627 0.917 0.708 CA 1.448 25 residues pruned to eliminate duplicates Z: 108 68.179 2.231 0.890 0.600 0.925 0.654 CB 1.535 108 residues pruned to eliminate duplicates Z: 74 55.610 2.252 0.802 0.552 0.932 0.616 CB 1.637 74 residues pruned to eliminate duplicates Z: 6 10.591 1.889 0.346 0.861 1.000 0.800 CB 1.369 6 residues pruned to eliminate duplicates Z: 13 24.666 1.994 0.852 0.866 0.917 0.583 CA 1.541 13 residues pruned to eliminate duplicates Z: 9 7.889 1.760 0.992 0.516 0.625 0.375 CB 1.253 Z: 11 32.102 2.218 1.169 0.910 1.000 0.900 CB 1.498 11 residues pruned to eliminate duplicates Z: 11 30.653 2.251 1.181 0.897 0.900 0.600 CA 1.570 11 residues pruned to eliminate duplicates Z: 11 24.902 2.083 1.037 0.881 1.000 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 11 29.351 2.160 1.201 0.894 1.000 0.900 CA 1.400 11 residues pruned to eliminate duplicates Z: 24 36.553 2.154 0.795 0.697 1.000 0.739 CA 1.646 24 residues pruned to eliminate duplicates Z: 15 11.507 1.681 0.332 0.855 0.857 0.786 CA 1.182 15 residues pruned to eliminate duplicates Z: 8 8.233 1.845 1.056 0.462 0.857 0.571 CB 0.995 8 residues pruned to eliminate duplicates Z: 12 23.813 2.074 0.520 0.920 1.000 0.727 CA 1.605 12 residues pruned to eliminate duplicates Z: 35 31.344 2.087 0.693 0.535 0.941 0.676 CB 1.562 35 residues pruned to eliminate duplicates Z: 19 51.574 2.408 1.359 0.839 1.000 0.556 CA 1.599 19 residues pruned to eliminate duplicates Z: 20 46.572 2.274 1.257 0.953 1.000 0.579 CB 1.433 20 residues pruned to eliminate duplicates Z: 20 46.454 2.235 1.424 0.941 0.947 0.526 CB 1.441 20 residues pruned to eliminate duplicates Z: 67 57.500 2.252 0.989 0.639 0.909 0.621 CB 1.526 67 residues pruned to eliminate duplicates Z: 75 51.805 2.206 0.840 0.521 0.919 0.622 CB 1.581 75 residues pruned to eliminate duplicates Z: 98 67.744 2.266 0.844 0.574 0.938 0.629 CB 1.633 98 residues pruned to eliminate duplicates Z: 12 25.363 2.366 0.843 0.874 0.909 0.727 CA 1.404 12 residues pruned to eliminate duplicates Z: 13 16.394 1.847 0.560 0.900 1.000 0.917 CA 1.173 13 residues pruned to eliminate duplicates Z: 27 23.560 1.883 0.681 0.576 0.962 0.615 CB 1.412 27 residues pruned to eliminate duplicates Z: 90 48.205 2.057 0.660 0.552 0.955 0.674 CB 1.489 89 residues pruned to eliminate duplicates Z: 6 11.593 1.880 0.738 0.745 1.000 0.800 CA 1.274 6 residues pruned to eliminate duplicates Z: 11 26.232 2.186 0.921 0.905 1.000 0.900 CA 1.405 11 residues pruned to eliminate duplicates Z: 6 3.754 1.559 0.647 0.562 0.600 0.600 CA 1.026 6 residues pruned to eliminate duplicates Z: 24 21.132 2.000 0.674 0.556 0.826 0.565 CA 1.508 24 residues pruned to eliminate duplicates Z: 19 17.687 1.958 0.325 0.913 0.944 0.722 CA 1.205 19 residues pruned to eliminate duplicates Z: 18 31.022 2.343 0.415 0.928 1.000 0.765 CA 1.589 18 residues pruned to eliminate duplicates Z: 20 45.772 2.266 1.254 0.914 1.000 0.579 CA 1.454 20 residues pruned to eliminate duplicates Z: 11 36.164 2.351 1.358 0.915 0.900 0.800 CA 1.620 11 residues pruned to eliminate duplicates Z: 12 31.311 2.369 0.886 0.912 1.000 0.818 CA 1.496 12 residues pruned to eliminate duplicates Z: 24 28.201 1.973 0.793 0.660 0.957 0.696 CB 1.497 24 residues pruned to eliminate duplicates Z: 15 13.024 1.990 0.577 0.423 0.857 0.500 CA 1.402 15 residues pruned to eliminate duplicates Z: 39 40.996 2.156 0.928 0.564 0.947 0.658 CB 1.587 39 residues pruned to eliminate duplicates Z: 16 27.686 2.345 0.783 0.663 0.867 0.467 CB 1.697 16 residues pruned to eliminate duplicates Z: 7 10.933 1.745 0.590 0.758 0.833 0.667 N 1.534 7 residues pruned to eliminate duplicates Z: 107 75.554 2.263 0.947 0.596 0.934 0.566 CB 1.628 107 residues pruned to eliminate duplicates Z: 36 32.844 2.050 0.650 0.728 0.943 0.686 CB 1.418 36 residues pruned to eliminate duplicates Z: 20 22.555 1.967 0.444 0.912 0.947 0.789 CA 1.362 20 residues pruned to eliminate duplicates Z: 83 49.551 2.141 0.764 0.507 0.915 0.634 CA 1.574 83 residues pruned to eliminate duplicates Z: 8 8.009 1.670 0.543 0.782 0.857 0.714 CA 1.069 8 residues pruned to eliminate duplicates Z: 35 34.815 2.053 0.739 0.748 0.971 0.618 CB 1.381 35 residues pruned to eliminate duplicates Z: 13 20.256 1.992 0.454 0.931 1.000 0.917 CA 1.412 13 residues pruned to eliminate duplicates Z: 11 27.749 2.372 0.720 0.866 1.000 0.700 CA 1.575 11 residues pruned to eliminate duplicates Z: 10 30.846 2.254 1.172 0.913 1.000 0.889 CB 1.486 10 residues pruned to eliminate duplicates Z: 35 29.016 2.236 0.740 0.414 0.853 0.500 CB 1.641 35 residues pruned to eliminate duplicates Z: 11 30.225 2.126 1.311 0.893 1.000 0.800 CA 1.397 11 residues pruned to eliminate duplicates Z: 39 33.366 2.197 0.705 0.611 0.947 0.816 CB 1.373 39 residues pruned to eliminate duplicates Z: 18 22.543 1.983 0.488 0.930 1.000 0.824 CB 1.296 18 residues pruned to eliminate duplicates Z: 11 27.602 2.353 0.656 0.915 1.000 0.700 CB 1.583 11 residues pruned to eliminate duplicates Z: 49 37.061 2.174 0.691 0.534 0.875 0.667 CA 1.609 49 residues pruned to eliminate duplicates Z: 13 16.862 1.817 0.536 0.875 1.000 0.750 CA 1.268 13 residues pruned to eliminate duplicates Z: 12 5.638 1.836 0.279 0.251 0.727 0.455 CB 1.326 12 residues pruned to eliminate duplicates Z: 50 38.947 2.101 0.907 0.507 0.939 0.551 CB 1.469 50 residues pruned to eliminate duplicates Z: 20 34.935 2.198 0.990 0.915 0.947 0.421 CB 1.367 20 residues pruned to eliminate duplicates Z: 19 22.812 1.999 0.477 0.909 1.000 0.667 CA 1.292 19 residues pruned to eliminate duplicates Z: 11 24.054 2.296 0.552 0.907 1.000 0.900 CA 1.517 11 residues pruned to eliminate duplicates Z: 25 20.355 1.840 0.475 0.762 0.958 0.792 CB 1.266 25 residues pruned to eliminate duplicates Z: 19 26.533 1.944 0.698 0.952 1.000 0.667 CB 1.305 19 residues pruned to eliminate duplicates Z: 13 20.609 1.975 0.461 0.925 1.000 1.000 CA 1.447 13 residues pruned to eliminate duplicates Z: 49 37.412 2.126 0.782 0.510 0.938 0.646 CA 1.505 49 residues pruned to eliminate duplicates Z: 18 23.825 1.920 1.005 0.851 0.941 0.647 CB 1.180 18 residues pruned to eliminate duplicates Z: 12 22.555 2.301 0.730 0.853 0.909 0.636 CA 1.389 12 residues pruned to eliminate duplicates Z: 12 21.540 1.930 1.371 0.847 0.909 0.636 CB 1.159 12 residues pruned to eliminate duplicates Z: 62 47.771 2.246 0.737 0.558 0.885 0.689 CA 1.674 62 residues pruned to eliminate duplicates Z: 6 2.718 1.902 0.544 0.168 0.600 0.400 CB 1.033 Z: 12 25.706 2.069 0.616 0.904 1.000 0.636 CA 1.651 12 residues pruned to eliminate duplicates Z: 68 41.941 2.056 0.650 0.591 0.940 0.627 CB 1.473 68 residues pruned to eliminate duplicates Z: 18 42.292 2.382 1.090 0.944 0.941 0.706 CB 1.517 18 residues pruned to eliminate duplicates Z: 20 15.909 1.940 0.139 0.904 1.000 0.947 CA 1.176 20 residues pruned to eliminate duplicates Z: 136 67.270 2.151 0.733 0.591 0.926 0.622 CB 1.538 136 residues pruned to eliminate duplicates Z: 14 8.889 1.669 0.380 0.486 0.923 0.615 CB 1.176 Z: 20 18.226 2.110 0.410 0.530 0.947 0.684 CB 1.441 20 residues pruned to eliminate duplicates Z: 13 14.025 1.796 0.352 0.848 0.917 0.833 CA 1.350 13 residues pruned to eliminate duplicates Z: 7 8.419 1.627 0.711 0.745 0.833 0.667 CA 1.191 7 residues pruned to eliminate duplicates Z: 9 6.830 1.805 -0.026 0.492 1.000 0.625 CB 1.384 Z: 6 7.579 1.891 0.270 0.653 0.800 0.800 O 1.530 Z: 35 29.674 1.949 0.568 0.717 1.000 0.824 CB 1.368 35 residues pruned to eliminate duplicates Z: 11 29.696 2.143 1.282 0.909 1.000 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 6 4.820 1.854 0.446 0.526 0.600 0.600 CB 1.305 6 residues pruned to eliminate duplicates Z: 20 23.112 2.149 0.781 0.557 0.895 0.684 CB 1.465 20 residues pruned to eliminate duplicates Z: 17 28.047 2.030 0.742 0.923 1.000 0.688 CA 1.393 17 residues pruned to eliminate duplicates Z: 29 27.047 2.156 0.789 0.439 0.929 0.536 CB 1.520 29 residues pruned to eliminate duplicates Z: 9 4.117 1.604 0.489 0.358 0.750 0.375 CB 0.946 9 residues pruned to eliminate duplicates Z: 25 20.146 1.755 0.929 0.723 0.875 0.333 CB 1.135 25 residues pruned to eliminate duplicates Z: 10 17.387 1.925 0.445 0.922 1.000 1.000 CB 1.465 10 residues pruned to eliminate duplicates Z: 12 20.550 2.056 0.414 0.923 1.000 1.000 CA 1.498 12 residues pruned to eliminate duplicates Z: 109 74.149 2.251 0.879 0.610 0.944 0.667 CB 1.610 109 residues pruned to eliminate duplicates Z: 12 20.242 1.976 0.562 0.922 1.000 0.818 CA 1.391 12 residues pruned to eliminate duplicates Z: 18 21.924 1.989 0.450 0.926 1.000 0.882 CA 1.292 18 residues pruned to eliminate duplicates Z: 30 30.632 1.934 0.813 0.741 0.966 0.586 CA 1.354 30 residues pruned to eliminate duplicates Z: 31 24.250 1.950 0.517 0.580 0.933 0.633 CA 1.484 31 residues pruned to eliminate duplicates Z: 50 41.977 2.237 0.833 0.445 0.918 0.571 CB 1.684 50 residues pruned to eliminate duplicates Z: 44 39.910 2.138 0.736 0.567 0.930 0.651 CA 1.653 44 residues pruned to eliminate duplicates Z: 6 5.937 1.937 -0.373 0.744 1.000 1.000 CA 1.758 6 residues pruned to eliminate duplicates Z: 19 30.707 2.286 0.621 0.920 0.944 0.889 CA 1.456 19 residues pruned to eliminate duplicates Z: 18 46.318 2.376 0.990 0.941 1.000 0.529 CA 1.649 18 residues pruned to eliminate duplicates Z: 11 16.976 1.985 0.244 0.928 1.000 0.800 CB 1.522 11 residues pruned to eliminate duplicates Z: 8 3.695 1.469 0.970 0.487 0.571 0.571 CB 0.856 Z: 8 2.280 1.596 0.525 0.338 0.571 0.286 N 0.739 Z: 17 30.797 2.055 1.232 0.694 1.000 0.562 CA 1.405 17 residues pruned to eliminate duplicates Z: 13 14.918 1.781 0.353 0.895 1.000 0.917 CA 1.282 13 residues pruned to eliminate duplicates Z: 11 28.924 2.174 1.020 0.907 1.000 1.000 CB 1.481 11 residues pruned to eliminate duplicates Z: 20 26.489 1.947 0.759 0.883 1.000 0.421 CA 1.283 20 residues pruned to eliminate duplicates Z: 107 72.779 2.272 0.957 0.605 0.906 0.585 CB 1.589 107 residues pruned to eliminate duplicates Z: 9 5.728 1.626 0.262 0.518 0.875 0.625 N 1.108 Z: 19 21.690 2.084 0.688 0.424 0.944 0.667 CB 1.666 19 residues pruned to eliminate duplicates Z: 8 3.393 1.390 0.324 0.421 0.857 0.429 N 0.883 8 residues pruned to eliminate duplicates Z: 18 28.147 2.003 0.820 0.915 1.000 0.647 CA 1.324 18 residues pruned to eliminate duplicates Z: 11 15.463 1.917 0.283 0.915 1.000 0.800 CA 1.405 11 residues pruned to eliminate duplicates Z: 21 48.496 2.352 1.061 0.876 1.000 0.700 CA 1.626 21 residues pruned to eliminate duplicates Z: 16 3.707 1.478 0.414 0.234 0.600 0.267 C 1.039 16 residues pruned to eliminate duplicates Z: 66 59.243 2.261 0.956 0.660 0.923 0.692 CB 1.552 66 residues pruned to eliminate duplicates Z: 65 59.450 2.286 1.001 0.656 0.906 0.484 CB 1.551 65 residues pruned to eliminate duplicates Z: 20 23.362 1.898 0.681 0.897 1.000 0.842 CA 1.202 20 residues pruned to eliminate duplicates Z: 24 25.703 1.982 0.574 0.703 0.957 0.826 CA 1.494 23 residues pruned to eliminate duplicates Z: 11 8.585 1.660 0.446 0.415 0.900 0.500 CB 1.374 Z: 6 4.007 1.974 0.053 0.431 0.800 0.400 CB 1.157 6 residues pruned to eliminate duplicates Z: 20 30.095 1.918 0.911 0.940 1.000 0.579 CA 1.308 20 residues pruned to eliminate duplicates Z: 18 22.391 2.018 0.596 0.920 0.941 0.588 CA 1.262 18 residues pruned to eliminate duplicates Z: 49 40.649 2.171 0.878 0.525 0.917 0.604 CB 1.531 49 residues pruned to eliminate duplicates Z: 34 33.906 1.986 0.819 0.691 0.970 0.636 CB 1.415 34 residues pruned to eliminate duplicates Z: 19 24.430 1.955 0.574 0.944 1.000 0.833 CA 1.296 19 residues pruned to eliminate duplicates Z: 6 12.130 1.843 0.609 0.755 1.000 0.600 N 1.457 6 residues pruned to eliminate duplicates Z: 18 24.308 2.087 0.540 0.715 0.941 0.824 CA 1.603 18 residues pruned to eliminate duplicates Z: 31 32.572 2.084 0.718 0.660 0.933 0.700 CA 1.533 31 residues pruned to eliminate duplicates Z: 18 25.764 2.071 0.592 0.948 1.000 0.882 CA 1.310 18 residues pruned to eliminate duplicates Z: 19 46.807 2.360 1.007 0.943 1.000 0.889 CB 1.614 19 residues pruned to eliminate duplicates Z: 19 29.392 1.945 0.900 0.935 1.000 0.556 CB 1.306 19 residues pruned to eliminate duplicates Z: 31 22.312 2.019 0.672 0.562 0.800 0.600 CA 1.421 31 residues pruned to eliminate duplicates Z: 20 23.109 1.932 0.638 0.906 1.000 0.842 CA 1.192 20 residues pruned to eliminate duplicates Z: 13 28.729 2.350 0.910 0.850 0.833 0.750 CA 1.642 13 residues pruned to eliminate duplicates Z: 81 52.263 2.173 0.795 0.587 0.875 0.625 CA 1.575 81 residues pruned to eliminate duplicates Z: 7 6.374 1.745 0.322 0.601 1.000 0.667 CB 1.025 Z: 6 2.864 1.661 0.442 0.415 0.600 0.400 CA 0.974 6 residues pruned to eliminate duplicates Z: 13 22.112 1.922 0.760 0.904 1.000 0.833 CA 1.344 14 residues pruned to eliminate duplicates Z: 19 9.143 1.593 0.536 0.358 0.833 0.500 CA 1.232 19 residues pruned to eliminate duplicates Z: 37 30.552 2.244 0.683 0.442 0.944 0.417 CB 1.516 37 residues pruned to eliminate duplicates Z: 19 31.660 2.294 0.642 0.928 1.000 0.833 CA 1.388 19 residues pruned to eliminate duplicates Z: 11 18.496 1.983 0.412 0.911 1.000 0.800 CB 1.480 11 residues pruned to eliminate duplicates Z: 18 45.353 2.401 0.892 0.930 1.000 0.706 CB 1.694 18 residues pruned to eliminate duplicates Z: 109 60.937 2.204 0.742 0.573 0.935 0.611 CB 1.522 109 residues pruned to eliminate duplicates Z: 45 38.170 2.119 0.849 0.557 0.886 0.636 CB 1.567 45 residues pruned to eliminate duplicates Z: 6 5.483 1.388 0.441 0.685 1.000 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 14 13.167 1.741 0.479 0.866 0.923 0.462 CA 1.125 14 residues pruned to eliminate duplicates Z: 42 42.085 2.080 0.960 0.585 0.951 0.707 CA 1.563 42 residues pruned to eliminate duplicates Z: 18 19.473 2.004 0.801 0.506 0.824 0.529 CA 1.579 18 residues pruned to eliminate duplicates Z: 35 40.547 2.236 1.042 0.734 0.882 0.735 CA 1.399 35 residues pruned to eliminate duplicates Z: 20 22.186 2.021 0.911 0.545 0.947 0.684 CB 1.331 20 residues pruned to eliminate duplicates Z: 21 25.679 2.033 0.498 0.896 1.000 0.750 CB 1.351 21 residues pruned to eliminate duplicates Z: 12 13.566 1.819 0.520 0.833 0.818 0.636 CA 1.356 12 residues pruned to eliminate duplicates Z: 12 20.659 2.025 0.642 0.867 0.909 0.545 CA 1.506 12 residues pruned to eliminate duplicates Z: 7 8.339 1.690 0.422 0.614 1.000 0.833 CB 1.271 6 residues pruned to eliminate duplicates Z: 41 26.188 1.960 0.446 0.632 0.950 0.750 CB 1.358 41 residues pruned to eliminate duplicates Z: 108 69.597 2.252 0.913 0.595 0.907 0.636 CB 1.573 108 residues pruned to eliminate duplicates Z: 109 61.540 2.136 0.706 0.592 0.944 0.630 CA 1.575 109 residues pruned to eliminate duplicates Z: 58 38.584 2.234 0.677 0.433 0.895 0.579 CB 1.634 58 residues pruned to eliminate duplicates Z: 13 9.782 1.791 0.018 0.902 1.000 1.000 CB 1.104 13 residues pruned to eliminate duplicates Z: 39 33.959 2.065 0.791 0.566 0.921 0.658 CA 1.517 39 residues pruned to eliminate duplicates Z: 8 10.191 1.555 0.558 0.820 1.000 0.714 CA 1.204 8 residues pruned to eliminate duplicates Z: 76 54.432 2.231 0.752 0.550 0.920 0.640 CB 1.665 76 residues pruned to eliminate duplicates Z: 26 29.125 2.062 0.686 0.625 0.920 0.680 CA 1.619 26 residues pruned to eliminate duplicates Z: 13 16.742 1.786 0.582 0.844 1.000 0.583 CA 1.273 13 residues pruned to eliminate duplicates Z: 18 13.118 2.011 0.861 0.277 0.824 0.412 CA 1.328 18 residues pruned to eliminate duplicates Z: 30 21.146 2.136 0.559 0.402 0.862 0.552 CB 1.517 36 residues pruned to eliminate duplicates Z: 9 3.608 1.550 -0.025 0.520 1.000 0.625 CB 0.827 6 residues pruned to eliminate duplicates Z: 16 12.445 1.809 0.581 0.466 0.800 0.533 CA 1.454 16 residues pruned to eliminate duplicates Z: 10 4.522 1.672 0.107 0.578 0.889 0.556 CB 0.850 10 residues pruned to eliminate duplicates Z: 15 5.011 1.520 0.444 0.255 0.786 0.357 CB 1.029 Z: 37 32.430 2.030 0.543 0.702 1.000 0.833 CB 1.435 37 residues pruned to eliminate duplicates Z: 42 26.212 1.892 0.474 0.611 0.976 0.659 CB 1.354 54 residues pruned to eliminate duplicates Z: 7 6.538 1.641 0.364 0.691 0.833 0.667 CA 1.201 7 residues pruned to eliminate duplicates Z: 18 22.972 2.015 0.598 0.941 1.000 1.000 CA 1.200 18 residues pruned to eliminate duplicates 7 1.739 1.307 0.002 0.244 0.667 0.500 C 1.094 ? Z: 49 42.673 2.260 0.761 0.530 0.917 0.604 CB 1.640 49 residues pruned to eliminate duplicates Z: 7 4.955 1.662 0.088 0.668 0.833 0.667 CB 1.149 7 residues pruned to eliminate duplicates Z: 33 33.047 2.235 0.819 0.498 0.938 0.719 CB 1.536 33 residues pruned to eliminate duplicates Z: 20 22.439 1.788 0.775 0.896 1.000 0.737 CB 1.162 20 residues pruned to eliminate duplicates Z: 18 23.712 2.046 1.127 0.651 0.824 0.588 CB 1.394 17 residues pruned to eliminate duplicates Z: 41 39.395 2.150 0.790 0.573 0.925 0.675 CA 1.631 40 residues pruned to eliminate duplicates Z: 21 17.625 1.996 0.550 0.557 0.850 0.700 CB 1.417 20 residues pruned to eliminate duplicates Z: 8 7.058 1.641 0.454 0.624 1.000 0.714 CB 0.995 Z: 52 38.579 2.013 0.698 0.680 0.941 0.745 CB 1.423 52 residues pruned to eliminate duplicates Z: 10 37.682 2.423 1.161 0.888 1.000 0.778 CB 1.728 10 residues pruned to eliminate duplicates Z: 7 2.431 1.525 0.433 0.253 0.833 0.333 CB 0.724 Z: 7 14.316 1.955 0.893 0.763 1.000 0.667 CA 1.250 7 residues pruned to eliminate duplicates Z: 54 41.541 2.188 0.825 0.488 0.925 0.566 CA 1.564 54 residues pruned to eliminate duplicates Z: 13 16.381 1.911 0.387 0.870 1.000 0.583 CA 1.302 14 residues pruned to eliminate duplicates Z: 6 4.229 1.688 -0.055 0.566 1.000 0.800 CB 1.112 6 residues pruned to eliminate duplicates Z: 6 5.929 2.098 1.019 0.269 0.800 0.400 CB 1.018 6 residues pruned to eliminate duplicates Z: 19 18.937 1.884 0.514 0.884 1.000 0.833 CA 1.130 19 residues pruned to eliminate duplicates Z: 36 36.235 1.999 0.947 0.634 0.943 0.743 CA 1.472 36 residues pruned to eliminate duplicates Z: 20 15.109 1.918 0.129 0.906 0.947 0.842 CA 1.202 20 residues pruned to eliminate duplicates Z: 20 16.428 1.789 0.534 0.843 0.947 0.579 CA 1.080 20 residues pruned to eliminate duplicates Z: 25 32.294 2.005 0.899 0.801 1.000 0.667 CA 1.332 25 residues pruned to eliminate duplicates 6 0.712 1.062 0.304 0.482 0.600 0.600 CB 0.390 ? Z: 27 33.187 2.077 1.043 0.632 0.923 0.654 CB 1.468 28 residues pruned to eliminate duplicates Z: 11 16.692 2.078 0.194 0.877 1.000 0.800 CA 1.545 11 residues pruned to eliminate duplicates Z: 61 46.571 2.226 0.864 0.551 0.850 0.600 CB 1.621 61 residues pruned to eliminate duplicates Z: 20 17.985 1.947 0.310 0.875 0.947 0.737 CA 1.242 20 residues pruned to eliminate duplicates Z: 26 41.021 2.358 0.970 0.706 0.960 0.800 CB 1.526 26 residues pruned to eliminate duplicates Z: 12 29.052 2.347 0.765 0.896 1.000 0.273 CA 1.514 12 residues pruned to eliminate duplicates Z: 32 34.751 2.011 0.841 0.735 0.968 0.516 CA 1.410 32 residues pruned to eliminate duplicates Z: 9 12.981 1.692 0.828 0.735 1.000 1.000 CB 1.202 Z: 6 10.439 1.838 1.023 0.639 1.000 0.800 CB 1.102 Z: 19 17.531 1.961 0.276 0.869 1.000 0.833 CA 1.206 19 residues pruned to eliminate duplicates Z: 12 9.447 1.833 0.609 0.514 0.727 0.364 CA 1.310 11 residues pruned to eliminate duplicates Z: 74 53.786 2.167 0.857 0.567 0.932 0.630 CB 1.574 74 residues pruned to eliminate duplicates Z: 7 2.746 1.886 0.093 0.270 0.833 0.333 CB 0.847 7 residues pruned to eliminate duplicates Z: 11 6.606 1.803 0.365 0.299 0.900 0.400 CA 1.181 11 residues pruned to eliminate duplicates Z: 6 4.705 1.437 0.381 0.489 1.000 0.600 CB 1.072 Z: 7 5.459 1.545 0.544 0.487 0.833 0.500 CB 1.135 Z: 12 21.507 2.029 0.538 0.890 1.000 0.727 CA 1.495 12 residues pruned to eliminate duplicates Z: 31 35.820 2.042 0.853 0.712 0.967 0.600 CB 1.475 31 residues pruned to eliminate duplicates Z: 36 38.127 2.045 0.818 0.731 0.971 0.686 CB 1.450 36 residues pruned to eliminate duplicates Z: 30 26.289 2.203 0.637 0.516 0.828 0.483 CA 1.608 30 residues pruned to eliminate duplicates Z: 18 16.457 2.146 0.822 0.393 0.824 0.471 CB 1.387 18 residues pruned to eliminate duplicates Z: 12 10.761 1.837 0.096 0.930 1.000 1.000 CB 1.127 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 36 47.421 2.284 1.001 0.730 0.943 0.800 CB 1.513 36 residues pruned to eliminate duplicates Z: 39 48.568 2.284 0.948 0.710 0.947 0.684 CB 1.545 39 residues pruned to eliminate duplicates Z: 15 23.732 2.064 1.026 0.726 0.929 0.714 CB 1.332 15 residues pruned to eliminate duplicates Z: 11 34.257 2.199 1.281 0.907 1.000 0.800 CA 1.535 11 residues pruned to eliminate duplicates Z: 75 61.295 2.284 0.923 0.611 0.919 0.662 CB 1.589 76 residues pruned to eliminate duplicates Z: 11 25.894 2.073 1.440 0.889 0.900 0.700 CB 1.296 11 residues pruned to eliminate duplicates Z: 108 74.207 2.260 0.921 0.601 0.925 0.664 CA 1.621 108 residues pruned to eliminate duplicates Z: 62 64.770 2.287 1.062 0.679 0.951 0.590 CB 1.569 62 residues pruned to eliminate duplicates Z: 38 49.969 2.269 1.159 0.713 0.892 0.784 CA 1.549 38 residues pruned to eliminate duplicates Z: 38 47.097 2.271 1.045 0.737 0.892 0.784 CB 1.511 38 residues pruned to eliminate duplicates Z: 34 50.355 2.326 1.127 0.765 0.909 0.727 CB 1.541 34 residues pruned to eliminate duplicates Z: 15 19.979 2.018 1.021 0.701 0.857 0.714 CB 1.272 15 residues pruned to eliminate duplicates Z: 107 66.665 2.226 0.830 0.577 0.915 0.679 CA 1.612 107 residues pruned to eliminate duplicates Z: 99 65.021 2.283 0.786 0.578 0.908 0.663 CA 1.646 99 residues pruned to eliminate duplicates Z: 76 62.159 2.285 0.983 0.613 0.907 0.600 CB 1.570 76 residues pruned to eliminate duplicates Z: 34 56.302 2.287 1.232 0.791 0.970 0.667 CB 1.535 34 residues pruned to eliminate duplicates Z: 56 50.360 2.283 0.918 0.596 0.891 0.600 CB 1.588 56 residues pruned to eliminate duplicates Z: 37 46.148 2.194 1.153 0.738 0.917 0.667 CB 1.435 37 residues pruned to eliminate duplicates Z: 107 77.025 2.288 0.883 0.611 0.962 0.660 CB 1.625 107 residues pruned to eliminate duplicates Z: 109 75.606 2.255 0.976 0.618 0.926 0.639 CB 1.578 109 residues pruned to eliminate duplicates Z: 99 68.098 2.257 0.912 0.575 0.908 0.582 CB 1.633 99 residues pruned to eliminate duplicates Z: 19 50.078 2.392 1.355 0.945 0.944 0.556 CA 1.535 19 residues pruned to eliminate duplicates Z: 108 77.755 2.281 0.912 0.617 0.953 0.654 CB 1.618 107 residues pruned to eliminate duplicates Z: 20 45.151 2.280 1.183 0.928 1.000 0.684 CB 1.457 20 residues pruned to eliminate duplicates Z: 98 67.738 2.266 0.913 0.594 0.897 0.639 CB 1.617 98 residues pruned to eliminate duplicates Z: 75 65.966 2.275 0.973 0.603 0.959 0.568 CB 1.614 75 residues pruned to eliminate duplicates Z: 75 62.408 2.287 0.965 0.620 0.919 0.716 CB 1.569 75 residues pruned to eliminate duplicates Z: 66 61.449 2.290 1.005 0.657 0.923 0.554 CB 1.554 66 residues pruned to eliminate duplicates Z: 31 41.537 2.252 1.042 0.699 0.933 0.567 CA 1.474 31 residues pruned to eliminate duplicates Z: 108 81.847 2.286 1.004 0.623 0.944 0.664 CB 1.630 108 residues pruned to eliminate duplicates Z: 19 49.896 2.409 1.328 0.950 0.944 0.667 CA 1.531 19 residues pruned to eliminate duplicates Z: 96 68.427 2.278 0.881 0.590 0.926 0.568 CB 1.622 96 residues pruned to eliminate duplicates Z: 96 72.198 2.302 0.911 0.596 0.926 0.579 CB 1.658 96 residues pruned to eliminate duplicates Z: 107 78.063 2.282 0.965 0.599 0.953 0.613 CB 1.615 107 residues pruned to eliminate duplicates Z: 83 57.249 2.226 0.950 0.592 0.890 0.598 CB 1.499 83 residues pruned to eliminate duplicates Z: 36 41.381 2.232 1.070 0.618 0.943 0.629 CB 1.437 36 residues pruned to eliminate duplicates Z: 109 74.059 2.260 0.946 0.609 0.917 0.694 CB 1.595 109 residues pruned to eliminate duplicates Z: 7 8.537 1.850 0.806 0.451 0.833 0.500 CA 1.316 7 residues pruned to eliminate duplicates Z: 61 67.497 2.325 1.130 0.684 0.950 0.600 CB 1.563 61 residues pruned to eliminate duplicates Z: 98 67.442 2.269 0.897 0.573 0.907 0.577 CB 1.635 98 residues pruned to eliminate duplicates Z: 65 63.933 2.297 1.082 0.658 0.922 0.641 CB 1.566 65 residues pruned to eliminate duplicates Z: 71 57.282 2.217 1.005 0.610 0.929 0.571 CB 1.495 71 residues pruned to eliminate duplicates Z: 75 56.409 2.262 0.845 0.546 0.905 0.622 CB 1.659 75 residues pruned to eliminate duplicates Z: 63 34.079 2.145 0.707 0.440 0.855 0.548 CB 1.470 63 residues pruned to eliminate duplicates Z: 26 26.381 2.101 0.925 0.481 0.880 0.360 CB 1.512 26 residues pruned to eliminate duplicates Z: 78 51.563 2.207 0.755 0.523 0.909 0.571 CB 1.631 78 residues pruned to eliminate duplicates Z: 41 32.001 2.234 0.696 0.496 0.850 0.550 CB 1.578 41 residues pruned to eliminate duplicates Z: 91 64.978 2.288 1.069 0.550 0.889 0.622 CB 1.550 91 residues pruned to eliminate duplicates Z: 93 65.824 2.266 0.845 0.587 0.935 0.717 CB 1.614 93 residues pruned to eliminate duplicates Z: 60 40.569 2.226 0.829 0.419 0.898 0.525 CB 1.571 60 residues pruned to eliminate duplicates Z: 107 76.497 2.291 0.946 0.604 0.925 0.698 CB 1.632 107 residues pruned to eliminate duplicates Z: 76 55.684 2.250 0.824 0.518 0.933 0.693 CB 1.649 76 residues pruned to eliminate duplicates Z: 27 27.810 2.206 0.691 0.561 0.885 0.462 CA 1.557 27 residues pruned to eliminate duplicates Z: 65 62.958 2.293 1.087 0.628 0.969 0.594 CB 1.505 66 residues pruned to eliminate duplicates Z: 12 28.459 2.349 0.726 0.901 1.000 0.727 CA 1.510 12 residues pruned to eliminate duplicates Z: 33 35.084 2.252 0.799 0.497 0.969 0.531 CB 1.584 33 residues pruned to eliminate duplicates Z: 31 35.391 2.299 0.853 0.529 0.933 0.567 CB 1.580 31 residues pruned to eliminate duplicates Z: 90 66.297 2.264 1.048 0.579 0.899 0.551 CB 1.562 90 residues pruned to eliminate duplicates Z: 108 77.441 2.273 1.002 0.605 0.925 0.682 CB 1.609 108 residues pruned to eliminate duplicates Z: 41 36.746 2.241 0.794 0.504 0.900 0.675 CB 1.599 41 residues pruned to eliminate duplicates Z: 33 28.746 2.169 0.672 0.493 0.938 0.656 CB 1.505 33 residues pruned to eliminate duplicates Z: 14 14.337 2.055 0.747 0.341 0.846 0.538 CA 1.556 14 residues pruned to eliminate duplicates Z: 72 48.408 2.213 0.761 0.495 0.930 0.634 CB 1.594 72 residues pruned to eliminate duplicates Z: 108 75.534 2.272 0.930 0.605 0.935 0.645 CB 1.613 108 residues pruned to eliminate duplicates Z: 46 42.999 2.237 0.773 0.545 0.933 0.689 CA 1.657 46 residues pruned to eliminate duplicates Z: 27 27.811 2.232 0.821 0.528 0.808 0.538 CA 1.616 27 residues pruned to eliminate duplicates Z: 109 76.148 2.250 0.988 0.613 0.926 0.667 CB 1.590 109 residues pruned to eliminate duplicates Z: 62 56.525 2.315 0.935 0.584 0.918 0.607 CA 1.623 62 residues pruned to eliminate duplicates Z: 60 41.152 2.218 0.831 0.448 0.881 0.576 CB 1.579 60 residues pruned to eliminate duplicates Z: 73 58.114 2.277 0.840 0.533 0.944 0.639 CA 1.675 73 residues pruned to eliminate duplicates Z: 8 8.358 1.641 0.844 0.498 0.857 0.571 CA 1.221 8 residues pruned to eliminate duplicates Z: 22 17.874 2.068 0.944 0.313 0.810 0.524 CB 1.474 22 residues pruned to eliminate duplicates Z: 50 41.914 2.166 0.822 0.512 0.918 0.633 CA 1.632 50 residues pruned to eliminate duplicates Z: 76 53.010 2.245 0.803 0.529 0.920 0.707 CB 1.598 76 residues pruned to eliminate duplicates Z: 23 20.200 2.113 0.706 0.364 0.909 0.500 CB 1.521 23 residues pruned to eliminate duplicates Z: 97 65.955 2.278 0.886 0.572 0.896 0.667 CB 1.632 97 residues pruned to eliminate duplicates Z: 6 7.010 1.767 0.960 0.268 1.000 0.600 C 1.178 6 residues pruned to eliminate duplicates Z: 36 20.818 2.134 0.660 0.423 0.714 0.457 CA 1.507 36 residues pruned to eliminate duplicates Z: 38 36.010 2.164 0.837 0.573 0.865 0.649 CA 1.606 38 residues pruned to eliminate duplicates Z: 109 68.586 2.240 0.924 0.585 0.889 0.574 CB 1.587 109 residues pruned to eliminate duplicates Z: 36 43.040 2.237 0.854 0.597 0.943 0.714 CA 1.696 36 residues pruned to eliminate duplicates Z: 24 33.913 2.168 0.683 0.669 1.000 0.739 CB 1.658 24 residues pruned to eliminate duplicates Z: 6 4.021 1.680 0.747 0.293 0.800 0.600 CA 0.965 6 residues pruned to eliminate duplicates Z: 51 36.367 2.189 0.674 0.455 0.900 0.560 CB 1.633 51 residues pruned to eliminate duplicates Z: 15 18.569 2.010 0.426 0.790 1.000 0.857 CA 1.341 15 residues pruned to eliminate duplicates Z: 35 43.167 2.228 0.944 0.595 0.941 0.765 CA 1.659 35 residues pruned to eliminate duplicates Z: 26 29.950 2.098 0.689 0.605 0.960 0.720 CA 1.593 26 residues pruned to eliminate duplicates Z: 25 32.434 2.110 0.793 0.674 0.958 0.833 CA 1.555 25 residues pruned to eliminate duplicates Z: 25 34.116 2.109 0.850 0.664 0.958 0.833 CB 1.600 25 residues pruned to eliminate duplicates Z: 38 40.851 2.171 0.943 0.570 0.919 0.649 CA 1.618 38 residues pruned to eliminate duplicates Z: 84 61.496 2.183 1.030 0.595 0.916 0.675 CB 1.520 83 residues pruned to eliminate duplicates Z: 12 23.242 2.046 0.595 0.920 1.000 1.000 CA 1.512 12 residues pruned to eliminate duplicates Z: 13 19.413 1.979 0.501 0.845 0.917 0.750 CA 1.531 13 residues pruned to eliminate duplicates Z: 24 31.304 2.093 0.770 0.658 0.957 0.652 CA 1.591 23 residues pruned to eliminate duplicates Z: 13 23.290 2.024 0.670 0.933 1.000 0.750 CA 1.388 14 residues pruned to eliminate duplicates Z: 13 23.577 1.999 0.769 0.905 1.000 0.667 CA 1.371 13 residues pruned to eliminate duplicates Z: 36 34.125 2.066 0.610 0.747 0.943 0.743 CA 1.475 36 residues pruned to eliminate duplicates Z: 36 35.060 2.081 0.645 0.723 0.971 0.771 CA 1.457 36 residues pruned to eliminate duplicates Z: 36 35.587 2.083 0.683 0.730 0.943 0.743 CA 1.479 36 residues pruned to eliminate duplicates Z: 31 31.963 2.055 0.724 0.733 0.933 0.733 CA 1.431 31 residues pruned to eliminate duplicates Z: 36 33.901 2.031 0.742 0.715 0.943 0.543 CB 1.414 35 residues pruned to eliminate duplicates Z: 18 32.780 1.987 1.173 0.901 1.000 0.647 CB 1.314 18 residues pruned to eliminate duplicates Z: 22 29.512 1.990 0.883 0.821 0.952 0.714 CA 1.367 22 residues pruned to eliminate duplicates Z: 31 37.774 2.077 0.787 0.762 0.967 0.600 CB 1.523 32 residues pruned to eliminate duplicates Z: 19 31.044 1.972 0.932 0.906 1.000 0.722 CA 1.366 20 residues pruned to eliminate duplicates Z: 18 28.243 2.063 0.832 0.921 0.941 0.706 CA 1.356 18 residues pruned to eliminate duplicates Z: 37 36.801 2.069 0.774 0.718 0.944 0.639 CB 1.453 37 residues pruned to eliminate duplicates Z: 18 33.578 2.066 0.975 0.921 1.000 0.824 CA 1.405 18 residues pruned to eliminate duplicates Z: 36 37.828 2.074 0.821 0.734 0.943 0.657 CB 1.454 36 residues pruned to eliminate duplicates Z: 19 26.546 1.962 0.771 0.914 1.000 0.611 CA 1.273 19 residues pruned to eliminate duplicates Z: 19 28.138 1.971 0.807 0.894 1.000 0.722 CA 1.336 19 residues pruned to eliminate duplicates Z: 36 35.950 2.085 0.828 0.741 0.886 0.629 CB 1.450 36 residues pruned to eliminate duplicates Z: 19 27.836 2.019 0.845 0.838 1.000 0.778 CA 1.316 19 residues pruned to eliminate duplicates Z: 26 30.089 2.003 0.772 0.829 0.920 0.600 CA 1.387 26 residues pruned to eliminate duplicates Z: 35 38.069 2.111 0.758 0.732 0.971 0.618 CB 1.471 35 residues pruned to eliminate duplicates Z: 8 7.754 1.890 0.317 0.600 0.857 0.429 CA 1.249 8 residues pruned to eliminate duplicates Z: 15 23.815 2.197 0.768 0.516 1.000 0.643 CB 1.613 15 residues pruned to eliminate duplicates Z: 21 24.352 2.093 0.811 0.535 0.950 0.700 CB 1.461 20 residues pruned to eliminate duplicates Z: 7 15.316 2.216 0.764 0.494 1.000 0.500 CB 1.609 7 residues pruned to eliminate duplicates Z: 36 36.369 2.068 0.747 0.735 0.971 0.600 CB 1.419 36 residues pruned to eliminate duplicates Z: 38 33.558 2.019 0.710 0.693 0.946 0.595 CB 1.416 38 residues pruned to eliminate duplicates Z: 36 32.949 2.067 0.620 0.720 0.943 0.686 CB 1.447 36 residues pruned to eliminate duplicates Z: 37 36.661 2.034 0.814 0.721 0.972 0.528 CB 1.395 35 residues pruned to eliminate duplicates Z: 6 3.461 1.654 0.869 0.255 0.800 0.200 CA 0.829 6 residues pruned to eliminate duplicates Z: 36 41.845 2.084 0.866 0.744 1.000 0.743 CB 1.461 38 residues pruned to eliminate duplicates Z: 14 26.775 2.036 1.488 0.759 0.923 0.846 CA 1.261 14 residues pruned to eliminate duplicates Z: 108 77.365 2.267 0.938 0.617 0.944 0.701 CB 1.615 109 residues pruned to eliminate duplicates Z: 11 36.570 2.307 1.556 0.920 0.900 0.900 CA 1.534 11 residues pruned to eliminate duplicates Z: 36 50.407 2.252 1.149 0.759 0.914 0.743 CB 1.529 35 residues pruned to eliminate duplicates Z: 11 33.769 2.325 1.310 0.908 1.000 0.800 CA 1.412 11 residues pruned to eliminate duplicates Z: 108 73.504 2.258 0.913 0.601 0.925 0.673 CB 1.614 109 residues pruned to eliminate duplicates Z: 11 31.240 2.312 1.280 0.895 1.000 0.600 CA 1.343 11 residues pruned to eliminate duplicates Z: 83 60.195 2.221 0.890 0.605 0.951 0.646 CB 1.506 83 residues pruned to eliminate duplicates Z: 34 56.359 2.340 1.114 0.778 0.970 0.758 CB 1.601 34 residues pruned to eliminate duplicates Z: 109 69.462 2.249 0.795 0.594 0.926 0.685 CB 1.634 109 residues pruned to eliminate duplicates Z: 34 53.045 2.349 1.035 0.782 0.939 0.727 CB 1.604 34 residues pruned to eliminate duplicates Z: 75 61.390 2.319 0.832 0.602 0.932 0.689 CB 1.635 75 residues pruned to eliminate duplicates Z: 31 33.111 2.177 0.825 0.681 0.900 0.767 CA 1.431 31 residues pruned to eliminate duplicates Z: 136 67.373 2.144 0.687 0.595 0.941 0.644 CB 1.557 136 residues pruned to eliminate duplicates Z: 100 61.702 2.194 0.854 0.568 0.909 0.667 CB 1.571 100 residues pruned to eliminate duplicates Z: 34 55.080 2.287 1.136 0.784 0.970 0.697 CA 1.576 34 residues pruned to eliminate duplicates Z: 35 51.091 2.295 1.119 0.778 0.941 0.735 CB 1.498 35 residues pruned to eliminate duplicates Z: 109 73.044 2.241 0.907 0.605 0.944 0.639 CB 1.576 109 residues pruned to eliminate duplicates Z: 109 72.612 2.235 0.927 0.608 0.926 0.685 CB 1.581 109 residues pruned to eliminate duplicates Z: 109 72.006 2.254 0.895 0.600 0.917 0.657 CB 1.608 109 residues pruned to eliminate duplicates Z: 145 75.971 2.185 0.784 0.602 0.944 0.694 CB 1.561 145 residues pruned to eliminate duplicates Z: 20 43.514 2.332 1.168 0.809 0.947 0.737 CB 1.593 20 residues pruned to eliminate duplicates Z: 87 59.788 2.245 0.902 0.577 0.930 0.581 CB 1.507 87 residues pruned to eliminate duplicates Z: 37 50.185 2.223 1.254 0.739 0.917 0.667 CB 1.470 37 residues pruned to eliminate duplicates Z: 23 37.541 2.288 1.073 0.777 0.909 0.591 CB 1.454 23 residues pruned to eliminate duplicates Z: 34 52.498 2.322 1.203 0.773 0.939 0.636 CB 1.493 34 residues pruned to eliminate duplicates Z: 18 50.421 2.424 1.172 0.939 1.000 0.588 CB 1.614 18 residues pruned to eliminate duplicates Z: 101 62.643 2.216 0.839 0.542 0.950 0.600 CB 1.553 101 residues pruned to eliminate duplicates Z: 139 64.048 2.147 0.747 0.584 0.884 0.623 CB 1.518 139 residues pruned to eliminate duplicates Z: 33 55.974 2.323 1.272 0.779 0.938 0.750 CB 1.564 33 residues pruned to eliminate duplicates Z: 62 62.115 2.279 0.988 0.643 0.951 0.557 CB 1.615 62 residues pruned to eliminate duplicates Z: 110 71.046 2.224 0.926 0.593 0.917 0.633 CB 1.584 110 residues pruned to eliminate duplicates Z: 34 30.575 2.224 0.778 0.493 0.848 0.727 CB 1.598 34 residues pruned to eliminate duplicates Z: 37 27.229 2.153 0.660 0.445 0.861 0.500 CB 1.561 37 residues pruned to eliminate duplicates Z: 108 69.964 2.222 0.902 0.588 0.925 0.664 CB 1.590 108 residues pruned to eliminate duplicates Z: 116 56.150 2.111 0.642 0.558 0.922 0.670 CB 1.549 116 residues pruned to eliminate duplicates Z: 65 58.339 2.293 1.003 0.619 0.891 0.641 CB 1.594 65 residues pruned to eliminate duplicates Z: 78 50.054 2.174 0.755 0.526 0.922 0.701 CB 1.581 78 residues pruned to eliminate duplicates Z: 76 50.857 2.207 0.821 0.535 0.880 0.627 CB 1.604 76 residues pruned to eliminate duplicates Z: 76 53.232 2.198 0.851 0.523 0.920 0.653 CB 1.605 76 residues pruned to eliminate duplicates Z: 42 35.005 2.241 0.687 0.457 0.951 0.537 CB 1.590 42 residues pruned to eliminate duplicates Z: 33 34.059 2.207 0.718 0.505 0.938 0.562 CB 1.685 33 residues pruned to eliminate duplicates Z: 32 33.841 2.288 0.802 0.484 0.903 0.645 CB 1.659 32 residues pruned to eliminate duplicates Z: 115 56.625 2.125 0.700 0.561 0.895 0.614 CB 1.546 115 residues pruned to eliminate duplicates Z: 6 8.765 1.870 0.597 0.430 1.000 1.000 CA 1.411 6 residues pruned to eliminate duplicates Z: 59 41.219 2.295 0.741 0.445 0.879 0.586 CB 1.630 59 residues pruned to eliminate duplicates Z: 113 60.837 2.167 0.672 0.574 0.964 0.652 CB 1.533 113 residues pruned to eliminate duplicates Z: 75 54.971 2.312 0.831 0.550 0.905 0.581 CB 1.588 75 residues pruned to eliminate duplicates Z: 43 31.708 2.216 0.607 0.463 0.905 0.643 CB 1.578 43 residues pruned to eliminate duplicates Z: 109 73.374 2.246 0.980 0.596 0.926 0.648 CB 1.564 109 residues pruned to eliminate duplicates Z: 108 79.764 2.269 0.978 0.607 0.953 0.589 CB 1.627 108 residues pruned to eliminate duplicates Z: 10 23.971 2.351 0.647 0.914 1.000 0.667 CA 1.459 10 residues pruned to eliminate duplicates Z: 107 70.248 2.270 0.787 0.610 0.934 0.632 CB 1.622 107 residues pruned to eliminate duplicates Z: 74 53.681 2.245 0.790 0.543 0.918 0.671 CB 1.633 74 residues pruned to eliminate duplicates Z: 76 49.768 2.195 0.774 0.519 0.893 0.600 CB 1.621 76 residues pruned to eliminate duplicates Z: 31 37.421 2.310 0.713 0.517 0.967 0.733 CB 1.755 31 residues pruned to eliminate duplicates Z: 106 59.971 2.172 0.704 0.562 0.952 0.686 CB 1.563 106 residues pruned to eliminate duplicates Z: 75 54.896 2.256 0.791 0.524 0.932 0.622 CB 1.654 75 residues pruned to eliminate duplicates Z: 71 54.211 2.290 0.782 0.530 0.943 0.686 CB 1.636 71 residues pruned to eliminate duplicates Z: 81 46.558 2.147 0.779 0.492 0.887 0.588 CB 1.549 81 residues pruned to eliminate duplicates Z: 90 50.509 2.096 0.661 0.577 0.944 0.629 CB 1.513 90 residues pruned to eliminate duplicates Z: 14 13.991 2.137 0.486 0.375 0.923 0.538 CB 1.512 14 residues pruned to eliminate duplicates Z: 75 52.358 2.219 0.783 0.529 0.932 0.662 CB 1.603 75 residues pruned to eliminate duplicates Z: 76 49.749 2.221 0.756 0.528 0.907 0.667 CB 1.580 76 residues pruned to eliminate duplicates Z: 115 59.872 2.132 0.706 0.554 0.939 0.667 CB 1.558 115 residues pruned to eliminate duplicates Z: 46 40.829 2.218 0.731 0.553 0.933 0.667 CB 1.612 46 residues pruned to eliminate duplicates Z: 15 14.150 2.056 0.800 0.363 0.857 0.357 CB 1.381 15 residues pruned to eliminate duplicates Z: 76 51.663 2.218 0.742 0.535 0.920 0.653 CA 1.622 76 residues pruned to eliminate duplicates Z: 76 53.486 2.216 0.803 0.521 0.920 0.587 CA 1.647 76 residues pruned to eliminate duplicates Z: 145 70.847 2.167 0.782 0.582 0.938 0.604 CB 1.507 145 residues pruned to eliminate duplicates Z: 89 49.222 2.075 0.718 0.541 0.943 0.591 CB 1.499 89 residues pruned to eliminate duplicates Z: 52 41.229 2.149 0.691 0.530 0.961 0.569 CB 1.605 52 residues pruned to eliminate duplicates Z: 49 36.655 2.136 0.738 0.513 0.917 0.604 CB 1.535 49 residues pruned to eliminate duplicates Z: 110 68.111 2.229 0.890 0.579 0.917 0.587 CB 1.565 110 residues pruned to eliminate duplicates Z: 91 45.894 2.037 0.663 0.543 0.933 0.633 CB 1.467 91 residues pruned to eliminate duplicates Z: 117 64.283 2.146 0.778 0.564 0.931 0.586 CB 1.580 117 residues pruned to eliminate duplicates Z: 109 72.992 2.245 0.949 0.596 0.917 0.630 CB 1.597 109 residues pruned to eliminate duplicates Z: 77 45.366 2.157 0.796 0.463 0.882 0.526 CB 1.583 77 residues pruned to eliminate duplicates Z: 38 34.060 2.090 0.895 0.546 0.892 0.622 CA 1.515 38 residues pruned to eliminate duplicates Z: 146 75.113 2.193 0.778 0.607 0.931 0.669 CB 1.551 146 residues pruned to eliminate duplicates Z: 6 2.156 1.713 0.802 0.370 0.400 0.400 CB 0.898 6 residues pruned to eliminate duplicates Z: 74 49.141 2.222 0.798 0.476 0.904 0.575 CB 1.632 74 residues pruned to eliminate duplicates Z: 109 70.402 2.240 0.923 0.591 0.917 0.620 CB 1.572 109 residues pruned to eliminate duplicates Z: 108 64.345 2.234 0.848 0.568 0.925 0.617 CB 1.524 108 residues pruned to eliminate duplicates Z: 76 38.886 1.982 0.634 0.526 0.933 0.667 CA 1.447 76 residues pruned to eliminate duplicates Z: 30 23.308 1.856 0.608 0.566 0.931 0.621 CB 1.461 30 residues pruned to eliminate duplicates Z: 77 47.822 2.147 0.783 0.462 0.934 0.553 CB 1.595 77 residues pruned to eliminate duplicates Z: 49 35.178 2.092 0.712 0.454 0.958 0.583 CB 1.551 49 residues pruned to eliminate duplicates Z: 48 35.502 2.110 0.694 0.498 0.936 0.660 CB 1.552 48 residues pruned to eliminate duplicates Z: 24 29.324 2.022 0.727 0.647 1.000 0.739 CB 1.526 24 residues pruned to eliminate duplicates Z: 87 49.049 2.092 0.717 0.544 0.930 0.605 CB 1.517 87 residues pruned to eliminate duplicates Z: 38 34.838 2.084 0.816 0.532 0.946 0.622 CA 1.551 38 residues pruned to eliminate duplicates Z: 75 56.409 2.234 0.864 0.541 0.932 0.662 CB 1.622 75 residues pruned to eliminate duplicates Z: 27 25.900 1.893 0.712 0.622 1.000 0.692 CB 1.396 27 residues pruned to eliminate duplicates Z: 25 31.197 2.041 0.836 0.621 1.000 0.667 CA 1.516 25 residues pruned to eliminate duplicates Z: 37 38.364 2.109 1.006 0.572 0.917 0.639 CA 1.539 37 residues pruned to eliminate duplicates Z: 28 30.098 2.011 0.845 0.604 0.963 0.667 CB 1.468 28 residues pruned to eliminate duplicates Z: 41 37.645 2.115 0.803 0.537 0.950 0.650 CB 1.585 41 residues pruned to eliminate duplicates Z: 25 24.903 1.926 0.758 0.589 0.958 0.708 CA 1.438 25 residues pruned to eliminate duplicates Z: 47 44.224 2.188 0.860 0.538 0.978 0.609 CB 1.578 47 residues pruned to eliminate duplicates Z: 47 43.839 2.198 0.808 0.537 0.978 0.609 CA 1.604 47 residues pruned to eliminate duplicates Z: 24 31.525 2.028 0.824 0.670 1.000 0.739 CA 1.519 24 residues pruned to eliminate duplicates Z: 28 26.330 1.972 0.727 0.599 0.926 0.778 CB 1.463 28 residues pruned to eliminate duplicates Z: 37 38.186 2.135 0.904 0.555 0.944 0.639 CB 1.572 37 residues pruned to eliminate duplicates Z: 100 52.259 2.112 0.655 0.559 0.929 0.667 CB 1.527 100 residues pruned to eliminate duplicates Z: 38 32.040 1.934 0.735 0.681 0.973 0.730 CB 1.367 38 residues pruned to eliminate duplicates Z: 115 59.711 2.118 0.717 0.546 0.956 0.649 CB 1.537 115 residues pruned to eliminate duplicates Z: 39 29.773 1.985 0.490 0.682 1.000 0.737 CA 1.382 39 residues pruned to eliminate duplicates Z: 39 27.425 1.984 0.425 0.665 0.947 0.737 CA 1.426 39 residues pruned to eliminate duplicates Z: 37 31.794 2.051 0.519 0.703 0.972 0.722 CB 1.454 37 residues pruned to eliminate duplicates Z: 12 14.457 1.841 0.393 0.837 1.000 0.909 CB 1.271 12 residues pruned to eliminate duplicates Z: 13 11.094 1.838 0.206 0.836 1.000 0.750 CB 1.082 13 residues pruned to eliminate duplicates Z: 38 32.595 2.025 0.609 0.665 0.973 0.622 CA 1.450 38 residues pruned to eliminate duplicates Z: 38 31.073 2.023 0.509 0.680 0.973 0.784 CB 1.457 38 residues pruned to eliminate duplicates Z: 37 29.784 2.031 0.520 0.687 0.944 0.778 CB 1.434 37 residues pruned to eliminate duplicates Z: 13 12.346 1.772 0.182 0.849 1.000 0.833 CB 1.261 13 residues pruned to eliminate duplicates Z: 37 32.162 2.048 0.528 0.719 0.972 0.750 CA 1.446 39 residues pruned to eliminate duplicates Z: 20 16.734 1.912 0.276 0.907 1.000 0.842 CA 1.119 20 residues pruned to eliminate duplicates Z: 39 27.833 1.968 0.453 0.660 0.974 0.763 CA 1.397 39 residues pruned to eliminate duplicates Z: 115 57.730 2.107 0.643 0.560 0.965 0.649 CB 1.527 115 residues pruned to eliminate duplicates Z: 36 32.247 2.076 0.539 0.700 0.971 0.743 CB 1.464 36 residues pruned to eliminate duplicates Z: 40 29.706 1.975 0.518 0.684 0.949 0.692 CB 1.414 40 residues pruned to eliminate duplicates Z: 38 32.386 2.000 0.649 0.686 0.973 0.757 CB 1.398 38 residues pruned to eliminate duplicates Z: 39 30.597 1.986 0.568 0.659 0.974 0.711 CB 1.412 39 residues pruned to eliminate duplicates Z: 38 32.168 2.018 0.528 0.688 1.000 0.676 CB 1.443 38 residues pruned to eliminate duplicates Z: 38 32.667 2.034 0.529 0.679 1.000 0.703 CB 1.464 38 residues pruned to eliminate duplicates Z: 39 33.484 1.983 0.686 0.660 1.000 0.711 CB 1.401 39 residues pruned to eliminate duplicates Z: 37 35.611 2.071 0.641 0.713 0.972 0.750 CB 1.480 36 residues pruned to eliminate duplicates Z: 7 7.310 1.734 0.212 0.818 1.000 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 38 36.890 2.042 0.735 0.666 1.000 0.703 CB 1.468 37 residues pruned to eliminate duplicates Z: 7 8.745 1.705 0.503 0.758 1.000 0.667 CA 1.107 7 residues pruned to eliminate duplicates Z: 38 33.418 1.997 0.624 0.688 1.000 0.730 CB 1.425 38 residues pruned to eliminate duplicates Z: 38 33.300 2.025 0.555 0.695 1.000 0.811 CB 1.455 38 residues pruned to eliminate duplicates Z: 39 30.311 1.982 0.548 0.664 0.974 0.737 CB 1.414 39 residues pruned to eliminate duplicates Z: 78 45.496 2.061 0.664 0.582 0.909 0.675 CB 1.536 78 residues pruned to eliminate duplicates Z: 37 33.578 2.037 0.574 0.702 1.000 0.667 CB 1.452 37 residues pruned to eliminate duplicates Z: 82 47.545 2.043 0.711 0.598 0.938 0.704 CB 1.467 82 residues pruned to eliminate duplicates Z: 11 7.743 1.721 0.521 0.320 0.800 0.500 CA 1.426 11 residues pruned to eliminate duplicates Z: 11 8.479 1.728 0.664 0.360 0.800 0.600 CA 1.356 10 residues pruned to eliminate duplicates Z: 6 5.163 1.617 0.783 0.386 0.800 0.600 CA 1.130 6 residues pruned to eliminate duplicates Z: 39 25.414 1.920 0.515 0.626 0.921 0.816 CA 1.368 39 residues pruned to eliminate duplicates Z: 37 31.160 2.055 0.487 0.685 0.972 0.806 CB 1.475 37 residues pruned to eliminate duplicates Z: 39 29.477 1.937 0.588 0.652 0.974 0.789 CB 1.386 39 residues pruned to eliminate duplicates 293 residues left after pruning, divided into chains as follows: A: 108 B: 36 C: 149 CC for partial structure against native data = 50.45 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.521, Connect. = 0.711 for dens.mod. cycle 1 = 0.300, Contrast = 0.603, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.714, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.725, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.735, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.737, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.741, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.741, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.742, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.742, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1829 peaks > 0.5 sigma used to seed fragment search Space for about 436 unique residues taking solvent into account 399 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 44.597 2.212 1.132 0.940 1.000 0.722 CB 1.548 B: 11 34.176 2.497 0.647 0.890 1.000 0.800 CB 1.891 C: 11 34.063 2.292 1.141 0.904 1.000 0.900 CA 1.563 D: 12 23.698 2.142 1.153 0.887 0.909 0.818 CA 1.228 12 residues pruned to eliminate duplicates E: 12 30.236 2.369 0.697 0.871 1.000 0.636 CB 1.654 12 residues pruned to eliminate duplicates F: 20 29.215 2.223 0.577 0.892 0.895 0.842 CA 1.534 20 residues pruned to eliminate duplicates G: 12 28.487 2.388 0.554 0.920 1.000 0.818 CA 1.630 12 residues pruned to eliminate duplicates H: 19 35.154 2.240 0.917 0.941 0.889 0.500 CB 1.506 19 residues pruned to eliminate duplicates I: 12 29.097 2.374 0.611 0.904 1.000 0.818 CA 1.633 12 residues pruned to eliminate duplicates J: 12 19.888 2.137 0.554 0.866 0.909 0.818 CA 1.454 12 residues pruned to eliminate duplicates K: 20 26.639 2.193 0.360 0.917 1.000 0.842 CA 1.447 20 residues pruned to eliminate duplicates L: 75 53.872 2.220 0.805 0.523 0.932 0.581 CB 1.638 11 residues pruned to eliminate duplicates M: 12 31.720 2.378 0.762 0.874 1.000 0.636 CA 1.662 12 residues pruned to eliminate duplicates N: 12 31.590 2.405 0.645 0.904 1.000 0.727 CA 1.716 12 residues pruned to eliminate duplicates O: 11 31.509 2.408 0.802 0.927 1.000 0.700 CA 1.608 11 residues pruned to eliminate duplicates P: 108 73.956 2.250 0.952 0.613 0.925 0.626 CB 1.580 105 residues pruned to eliminate duplicates Q: 92 61.297 2.239 0.951 0.554 0.912 0.527 CB 1.530 R: 13 24.687 2.253 0.603 0.886 1.000 0.833 CA 1.423 13 residues pruned to eliminate duplicates S: 12 27.896 2.382 0.914 0.893 0.909 0.545 CA 1.457 12 residues pruned to eliminate duplicates T: 13 25.535 2.244 0.782 0.875 0.917 0.667 CB 1.463 13 residues pruned to eliminate duplicates U: 20 25.730 1.913 0.839 0.891 0.947 0.632 CB 1.274 V: 19 38.174 2.331 0.753 0.948 0.944 0.833 CB 1.610 19 residues pruned to eliminate duplicates W: 19 38.242 2.325 1.049 0.887 0.944 0.889 CA 1.445 19 residues pruned to eliminate duplicates X: 12 25.382 2.103 1.059 0.831 0.909 0.727 CB 1.460 12 residues pruned to eliminate duplicates Y: 11 20.161 2.113 0.263 0.918 1.000 0.600 CB 1.685 Z: 71 53.410 2.270 0.811 0.519 0.929 0.600 CB 1.642 71 residues pruned to eliminate duplicates Z: 20 33.862 2.246 0.712 0.929 0.947 0.737 CB 1.493 20 residues pruned to eliminate duplicates Z: 18 47.317 2.413 1.224 0.930 0.941 0.529 CA 1.588 18 residues pruned to eliminate duplicates Z: 19 42.711 2.336 1.007 0.895 1.000 0.667 CA 1.539 19 residues pruned to eliminate duplicates Z: 20 34.865 2.227 0.857 0.917 1.000 0.789 CA 1.364 20 residues pruned to eliminate duplicates Z: 78 51.078 2.175 0.778 0.500 0.935 0.636 CA 1.609 78 residues pruned to eliminate duplicates Z: 12 32.728 2.404 0.754 0.898 1.000 0.818 CA 1.674 12 residues pruned to eliminate duplicates Z: 35 34.396 2.214 0.744 0.510 0.882 0.647 CB 1.714 30 residues pruned to eliminate duplicates Z: 11 36.087 2.160 1.370 0.916 1.000 0.800 CA 1.574 11 residues pruned to eliminate duplicates Z: 23 27.284 2.018 0.700 0.655 1.000 0.773 CA 1.468 23 residues pruned to eliminate duplicates Z: 19 36.668 2.275 0.703 0.916 1.000 0.944 CA 1.576 19 residues pruned to eliminate duplicates Z: 74 60.857 2.274 0.975 0.595 0.918 0.658 CB 1.578 75 residues pruned to eliminate duplicates Z: 20 43.057 2.276 1.304 0.889 0.947 0.474 CA 1.431 20 residues pruned to eliminate duplicates Z: 76 47.704 2.219 0.713 0.512 0.893 0.627 CB 1.604 75 residues pruned to eliminate duplicates Z: 68 53.118 2.265 0.871 0.643 0.881 0.552 CB 1.522 68 residues pruned to eliminate duplicates Z: 40 35.099 2.138 0.771 0.558 0.872 0.718 CB 1.609 40 residues pruned to eliminate duplicates Z: 12 33.667 2.385 0.753 0.901 1.000 0.727 CB 1.733 12 residues pruned to eliminate duplicates Z: 20 43.637 2.250 1.247 0.888 1.000 0.684 CA 1.427 20 residues pruned to eliminate duplicates Z: 19 45.381 2.357 1.039 0.953 1.000 0.722 CB 1.532 19 residues pruned to eliminate duplicates Z: 106 72.567 2.254 0.907 0.603 0.952 0.610 CB 1.568 106 residues pruned to eliminate duplicates Z: 19 28.297 1.972 0.840 0.901 1.000 0.444 CB 1.312 19 residues pruned to eliminate duplicates Z: 19 49.439 2.265 1.271 0.901 0.944 0.556 CB 1.713 19 residues pruned to eliminate duplicates Z: 20 23.814 1.911 0.733 0.711 1.000 0.789 CA 1.363 20 residues pruned to eliminate duplicates Z: 12 37.588 2.412 0.956 0.929 1.000 0.727 CA 1.681 12 residues pruned to eliminate duplicates Z: 19 50.215 2.339 1.299 0.891 1.000 0.611 CA 1.582 19 residues pruned to eliminate duplicates Z: 19 50.601 2.276 1.468 0.950 1.000 0.722 CA 1.465 19 residues pruned to eliminate duplicates Z: 19 28.628 1.995 0.892 0.931 1.000 0.778 CB 1.249 Z: 12 20.588 2.074 0.368 0.916 1.000 0.818 CA 1.545 12 residues pruned to eliminate duplicates Z: 7 5.271 1.992 -0.159 0.668 1.000 0.667 CB 1.100 Z: 13 12.498 2.104 0.667 0.408 0.833 0.667 CB 1.360 13 residues pruned to eliminate duplicates Z: 18 46.251 2.408 1.020 0.936 1.000 0.588 CB 1.606 18 residues pruned to eliminate duplicates Z: 33 25.452 1.975 0.522 0.686 0.938 0.688 CB 1.346 20 residues pruned to eliminate duplicates Z: 12 15.959 2.041 0.112 0.942 1.000 0.909 CA 1.471 12 residues pruned to eliminate duplicates Z: 18 36.273 2.038 1.130 0.918 1.000 0.294 CB 1.430 20 residues pruned to eliminate duplicates Z: 21 18.122 1.911 0.848 0.411 0.850 0.600 CB 1.482 22 residues pruned to eliminate duplicates Z: 74 55.607 2.210 0.865 0.537 0.945 0.712 CA 1.610 74 residues pruned to eliminate duplicates Z: 35 33.172 2.119 0.646 0.562 0.941 0.706 CA 1.631 35 residues pruned to eliminate duplicates Z: 72 54.669 2.253 0.738 0.537 0.958 0.634 CB 1.669 72 residues pruned to eliminate duplicates Z: 18 49.934 2.433 1.129 0.949 1.000 0.588 CA 1.613 18 residues pruned to eliminate duplicates Z: 20 42.031 2.248 1.023 0.917 0.947 0.632 CB 1.580 20 residues pruned to eliminate duplicates Z: 11 26.785 2.016 1.219 0.891 1.000 0.800 CB 1.361 11 residues pruned to eliminate duplicates Z: 18 56.991 2.402 1.326 0.945 1.000 0.412 CB 1.713 18 residues pruned to eliminate duplicates Z: 11 20.716 2.117 0.263 0.898 1.000 0.600 CA 1.753 11 residues pruned to eliminate duplicates Z: 20 50.262 2.272 1.397 0.908 1.000 0.421 CB 1.504 20 residues pruned to eliminate duplicates Z: 11 38.842 2.223 1.511 0.916 1.000 0.700 CA 1.554 11 residues pruned to eliminate duplicates Z: 108 58.018 2.195 0.736 0.522 0.916 0.626 CB 1.573 108 residues pruned to eliminate duplicates Z: 19 27.868 1.920 0.741 0.931 1.000 0.500 CB 1.373 19 residues pruned to eliminate duplicates Z: 7 8.477 1.685 0.164 0.829 1.000 0.833 C 1.329 Z: 34 35.995 2.229 0.835 0.510 0.939 0.667 CB 1.614 34 residues pruned to eliminate duplicates Z: 106 76.881 2.281 0.938 0.601 0.933 0.638 CB 1.652 105 residues pruned to eliminate duplicates Z: 51 47.368 2.140 0.842 0.629 0.960 0.660 CB 1.567 51 residues pruned to eliminate duplicates Z: 19 42.519 2.269 1.117 0.900 1.000 0.722 CA 1.490 19 residues pruned to eliminate duplicates Z: 19 49.234 2.368 1.128 0.947 1.000 0.611 CB 1.592 19 residues pruned to eliminate duplicates Z: 12 21.547 1.957 0.942 0.919 1.000 0.818 CA 1.205 12 residues pruned to eliminate duplicates Z: 106 60.704 2.201 0.808 0.550 0.895 0.533 CB 1.584 106 residues pruned to eliminate duplicates Z: 19 29.288 1.970 0.927 0.926 1.000 0.444 CB 1.275 18 residues pruned to eliminate duplicates Z: 20 44.246 2.218 1.340 0.933 0.947 0.526 CB 1.440 20 residues pruned to eliminate duplicates Z: 18 30.398 2.025 0.947 0.920 0.941 0.471 CB 1.400 18 residues pruned to eliminate duplicates Z: 19 43.811 2.295 1.165 0.902 0.944 0.389 CB 1.569 19 residues pruned to eliminate duplicates Z: 22 18.042 1.898 0.622 0.475 0.905 0.571 CB 1.450 16 residues pruned to eliminate duplicates Z: 39 28.719 1.953 0.598 0.643 0.947 0.763 CB 1.379 39 residues pruned to eliminate duplicates Z: 11 33.340 2.435 0.948 0.880 0.900 0.800 CA 1.789 11 residues pruned to eliminate duplicates Z: 11 36.902 2.338 1.414 0.914 1.000 0.600 CA 1.462 11 residues pruned to eliminate duplicates Z: 95 70.693 2.294 0.892 0.585 0.947 0.638 CB 1.636 95 residues pruned to eliminate duplicates Z: 19 42.631 2.340 0.955 0.938 0.944 0.722 CB 1.617 19 residues pruned to eliminate duplicates Z: 12 22.020 2.047 0.396 0.929 1.000 0.727 CB 1.625 12 residues pruned to eliminate duplicates Z: 10 24.215 2.197 1.280 0.887 0.889 0.333 CB 1.306 10 residues pruned to eliminate duplicates Z: 28 25.826 2.227 0.564 0.528 0.889 0.444 CA 1.562 28 residues pruned to eliminate duplicates Z: 26 26.997 2.059 0.576 0.547 0.960 0.680 CA 1.654 26 residues pruned to eliminate duplicates Z: 76 54.728 2.203 0.863 0.491 0.933 0.560 CA 1.664 76 residues pruned to eliminate duplicates Z: 11 39.133 2.438 0.953 0.888 1.000 0.700 CA 1.872 11 residues pruned to eliminate duplicates Z: 18 44.922 2.403 0.929 0.933 1.000 0.647 CB 1.641 18 residues pruned to eliminate duplicates Z: 26 32.166 2.129 0.668 0.595 1.000 0.760 CA 1.656 26 residues pruned to eliminate duplicates Z: 31 25.554 1.935 0.482 0.736 1.000 0.700 CB 1.317 31 residues pruned to eliminate duplicates Z: 45 47.507 2.199 0.975 0.653 0.932 0.659 CB 1.536 45 residues pruned to eliminate duplicates Z: 36 26.091 1.987 0.495 0.646 0.971 0.629 CB 1.333 36 residues pruned to eliminate duplicates Z: 15 11.798 2.005 0.690 0.410 0.786 0.643 CB 1.302 15 residues pruned to eliminate duplicates Z: 48 37.596 2.115 0.747 0.511 0.957 0.702 CA 1.533 48 residues pruned to eliminate duplicates Z: 19 22.185 1.888 0.666 0.888 0.944 0.778 CB 1.269 19 residues pruned to eliminate duplicates Z: 19 43.064 2.312 1.102 0.919 0.944 0.722 CB 1.558 19 residues pruned to eliminate duplicates Z: 10 34.003 2.279 1.347 0.918 1.000 0.889 CB 1.494 10 residues pruned to eliminate duplicates Z: 13 23.245 2.022 0.520 0.904 1.000 0.583 CA 1.555 13 residues pruned to eliminate duplicates Z: 12 34.138 2.392 1.152 0.911 0.909 0.727 CA 1.559 12 residues pruned to eliminate duplicates Z: 17 18.607 2.195 0.989 0.419 0.750 0.625 CA 1.546 17 residues pruned to eliminate duplicates Z: 40 39.640 2.170 0.859 0.568 0.923 0.692 CB 1.596 40 residues pruned to eliminate duplicates Z: 10 33.939 2.254 1.482 0.916 1.000 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 66 59.992 2.267 0.954 0.644 0.969 0.585 CB 1.516 66 residues pruned to eliminate duplicates Z: 12 24.077 1.998 0.949 0.889 1.000 0.727 CA 1.342 12 residues pruned to eliminate duplicates Z: 24 32.061 2.158 0.602 0.708 1.000 0.913 CA 1.601 24 residues pruned to eliminate duplicates Z: 10 28.643 2.221 1.263 0.866 0.889 0.778 CB 1.564 10 residues pruned to eliminate duplicates Z: 19 41.837 2.352 0.963 0.926 1.000 0.500 CA 1.497 19 residues pruned to eliminate duplicates Z: 11 17.993 1.969 0.362 0.925 1.000 0.900 CA 1.488 11 residues pruned to eliminate duplicates Z: 16 16.936 2.046 0.556 0.507 0.933 0.733 CB 1.462 10 residues pruned to eliminate duplicates Z: 10 27.880 2.231 1.165 0.865 1.000 0.667 CB 1.410 10 residues pruned to eliminate duplicates Z: 33 29.735 2.267 0.654 0.515 0.906 0.625 CB 1.524 33 residues pruned to eliminate duplicates Z: 11 14.669 1.972 0.332 0.883 1.000 1.000 CA 1.277 11 residues pruned to eliminate duplicates Z: 18 48.231 2.411 0.971 0.954 1.000 0.706 CB 1.693 18 residues pruned to eliminate duplicates Z: 16 30.410 2.092 0.826 0.954 1.000 1.000 CA 1.414 16 residues pruned to eliminate duplicates Z: 34 33.085 2.030 0.679 0.714 1.000 0.697 CB 1.392 34 residues pruned to eliminate duplicates Z: 33 35.494 2.143 0.749 0.703 0.938 0.562 CB 1.484 29 residues pruned to eliminate duplicates Z: 32 29.617 2.040 0.550 0.719 1.000 0.677 CB 1.380 32 residues pruned to eliminate duplicates Z: 8 3.962 1.528 0.569 0.415 0.714 0.429 CB 0.956 Z: 22 24.558 1.752 0.862 0.916 0.952 0.476 CA 1.218 21 residues pruned to eliminate duplicates Z: 19 21.597 1.990 0.383 0.916 1.000 1.000 CA 1.305 20 residues pruned to eliminate duplicates Z: 11 29.995 2.005 1.395 0.908 1.000 0.800 CB 1.403 11 residues pruned to eliminate duplicates Z: 18 32.605 2.053 0.925 0.795 1.000 0.824 CA 1.544 20 residues pruned to eliminate duplicates Z: 26 26.736 2.168 0.695 0.517 0.880 0.560 CB 1.627 26 residues pruned to eliminate duplicates Z: 7 5.734 1.686 0.863 0.524 0.667 0.500 N 1.091 7 residues pruned to eliminate duplicates Z: 12 13.624 1.883 0.226 0.919 1.000 0.818 CA 1.254 12 residues pruned to eliminate duplicates Z: 9 18.386 2.097 0.412 0.914 1.000 0.750 CA 1.552 9 residues pruned to eliminate duplicates Z: 39 35.524 1.980 0.787 0.710 0.974 0.684 CB 1.382 36 residues pruned to eliminate duplicates Z: 7 7.426 1.664 0.495 0.837 1.000 1.000 CB 0.911 7 residues pruned to eliminate duplicates Z: 48 34.124 2.127 0.681 0.480 0.936 0.596 CA 1.517 48 residues pruned to eliminate duplicates Z: 98 69.973 2.291 0.858 0.579 0.938 0.649 CB 1.649 97 residues pruned to eliminate duplicates Z: 14 12.076 1.750 0.432 0.847 0.923 0.769 CA 1.075 14 residues pruned to eliminate duplicates Z: 49 37.518 2.083 0.774 0.546 0.896 0.646 CA 1.564 49 residues pruned to eliminate duplicates Z: 52 32.202 2.124 0.876 0.483 0.902 0.431 CB 1.277 52 residues pruned to eliminate duplicates Z: 37 34.952 2.183 0.686 0.574 0.917 0.667 CA 1.608 37 residues pruned to eliminate duplicates Z: 19 22.125 1.979 0.429 0.900 1.000 0.833 CB 1.317 19 residues pruned to eliminate duplicates Z: 20 19.460 1.855 0.326 0.916 1.000 0.737 CA 1.281 20 residues pruned to eliminate duplicates Z: 8 10.239 1.565 0.925 0.696 1.000 0.429 CB 1.074 8 residues pruned to eliminate duplicates Z: 12 20.109 2.075 0.280 0.926 1.000 0.818 CA 1.601 13 residues pruned to eliminate duplicates Z: 20 21.001 2.129 0.572 0.550 0.947 0.684 CB 1.447 20 residues pruned to eliminate duplicates Z: 8 8.655 1.804 1.006 0.634 0.857 0.714 CB 0.930 Z: 32 27.658 2.164 0.656 0.596 0.903 0.677 CB 1.400 32 residues pruned to eliminate duplicates Z: 32 28.397 2.190 0.786 0.500 0.871 0.484 CB 1.498 40 residues pruned to eliminate duplicates Z: 107 62.806 2.224 0.823 0.584 0.915 0.575 CB 1.517 107 residues pruned to eliminate duplicates Z: 11 28.731 2.372 0.892 0.830 0.900 0.700 CA 1.691 11 residues pruned to eliminate duplicates Z: 24 17.137 1.813 0.352 0.811 0.957 0.913 CB 1.162 24 residues pruned to eliminate duplicates Z: 19 23.610 2.140 0.862 0.555 0.889 0.722 CB 1.489 19 residues pruned to eliminate duplicates Z: 38 27.981 1.967 0.567 0.669 0.973 0.703 CB 1.312 37 residues pruned to eliminate duplicates Z: 7 7.835 1.735 0.962 0.485 0.667 0.500 CA 1.430 7 residues pruned to eliminate duplicates Z: 41 33.902 1.998 0.984 0.536 0.900 0.525 CA 1.450 41 residues pruned to eliminate duplicates Z: 18 48.463 2.389 1.193 0.946 1.000 0.529 CB 1.553 18 residues pruned to eliminate duplicates Z: 74 53.067 2.218 0.762 0.526 0.932 0.658 CA 1.663 74 residues pruned to eliminate duplicates Z: 19 29.531 2.029 0.787 0.923 1.000 0.778 CA 1.349 19 residues pruned to eliminate duplicates Z: 11 26.138 2.019 1.202 0.852 1.000 0.800 CA 1.375 11 residues pruned to eliminate duplicates Z: 37 31.009 2.039 0.559 0.693 0.944 0.722 CB 1.444 37 residues pruned to eliminate duplicates Z: 11 26.557 2.033 1.085 0.907 1.000 1.000 CB 1.408 11 residues pruned to eliminate duplicates Z: 7 7.375 1.641 0.581 0.769 0.833 0.833 CA 1.098 7 residues pruned to eliminate duplicates Z: 11 18.432 1.998 1.090 0.856 0.900 0.700 CB 1.144 11 residues pruned to eliminate duplicates Z: 20 18.089 1.863 0.293 0.930 1.000 0.789 CA 1.205 20 residues pruned to eliminate duplicates Z: 11 24.940 2.213 0.715 0.936 1.000 1.000 CA 1.447 11 residues pruned to eliminate duplicates Z: 92 64.306 2.274 0.983 0.565 0.901 0.604 CB 1.558 91 residues pruned to eliminate duplicates Z: 10 7.355 1.915 0.640 0.419 0.667 0.667 CB 1.274 10 residues pruned to eliminate duplicates Z: 34 31.189 1.968 0.641 0.720 1.000 0.636 CB 1.378 34 residues pruned to eliminate duplicates Z: 12 20.310 2.002 0.414 0.927 1.000 1.000 CA 1.517 12 residues pruned to eliminate duplicates Z: 145 80.288 2.184 0.871 0.615 0.938 0.583 CB 1.568 145 residues pruned to eliminate duplicates Z: 37 32.491 2.034 0.689 0.705 0.944 0.694 CB 1.385 37 residues pruned to eliminate duplicates Z: 9 11.155 1.833 0.037 0.867 1.000 0.875 CA 1.518 9 residues pruned to eliminate duplicates Z: 38 29.417 2.001 0.464 0.664 1.000 0.703 CB 1.418 38 residues pruned to eliminate duplicates Z: 108 72.934 2.281 0.857 0.589 0.935 0.682 CA 1.636 108 residues pruned to eliminate duplicates Z: 18 41.422 2.361 0.818 0.918 1.000 0.765 CB 1.651 18 residues pruned to eliminate duplicates Z: 109 74.311 2.258 0.888 0.599 0.935 0.704 CB 1.632 108 residues pruned to eliminate duplicates Z: 42 38.032 2.214 0.881 0.585 0.902 0.659 CB 1.457 42 residues pruned to eliminate duplicates Z: 11 11.371 1.950 0.108 0.905 0.800 0.500 CB 1.479 11 residues pruned to eliminate duplicates Z: 8 14.676 1.744 1.111 0.811 1.000 0.857 CB 1.150 Z: 11 27.880 2.142 1.136 0.907 1.000 0.700 CA 1.369 11 residues pruned to eliminate duplicates Z: 28 24.400 1.983 0.524 0.638 0.889 0.704 CB 1.537 28 residues pruned to eliminate duplicates Z: 35 49.095 2.244 0.963 0.778 0.971 0.706 CB 1.541 35 residues pruned to eliminate duplicates Z: 11 8.128 1.703 -0.046 0.905 1.000 0.900 CA 1.126 11 residues pruned to eliminate duplicates Z: 11 21.891 2.124 0.499 0.898 0.900 0.500 CB 1.728 11 residues pruned to eliminate duplicates Z: 18 22.975 1.974 0.548 0.929 1.000 0.588 CB 1.276 18 residues pruned to eliminate duplicates Z: 8 10.605 1.664 0.601 0.762 1.000 0.571 CA 1.192 8 residues pruned to eliminate duplicates Z: 25 28.792 2.074 0.572 0.656 0.958 0.833 CA 1.627 25 residues pruned to eliminate duplicates Z: 19 23.114 1.991 0.519 0.880 1.000 0.556 CA 1.306 19 residues pruned to eliminate duplicates Z: 11 14.595 1.941 0.189 0.904 1.000 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 47 30.192 2.049 0.705 0.514 0.870 0.696 CB 1.445 47 residues pruned to eliminate duplicates Z: 16 8.554 1.906 0.286 0.396 0.867 0.600 CB 1.161 23 residues pruned to eliminate duplicates Z: 13 26.053 2.197 1.047 0.827 0.833 0.417 CB 1.512 13 residues pruned to eliminate duplicates Z: 27 24.683 2.160 0.580 0.490 0.923 0.385 CA 1.552 27 residues pruned to eliminate duplicates Z: 15 20.298 1.751 0.655 0.845 1.000 0.643 CA 1.391 16 residues pruned to eliminate duplicates Z: 23 28.830 1.948 0.819 0.812 0.955 0.591 CA 1.385 23 residues pruned to eliminate duplicates Z: 10 7.248 1.709 0.817 0.474 0.778 0.556 N 1.027 Z: 19 23.552 1.975 0.531 0.896 1.000 0.500 CB 1.316 19 residues pruned to eliminate duplicates Z: 38 35.058 1.980 0.725 0.722 0.973 0.649 CB 1.420 38 residues pruned to eliminate duplicates Z: 10 14.366 2.122 1.062 0.843 0.778 0.444 CB 1.047 10 residues pruned to eliminate duplicates Z: 16 20.223 2.077 0.854 0.542 0.933 0.667 CB 1.394 16 residues pruned to eliminate duplicates Z: 31 46.242 2.233 0.916 0.683 0.967 0.767 CA 1.726 31 residues pruned to eliminate duplicates Z: 6 3.378 1.502 0.126 0.433 0.800 0.600 CA 1.197 Z: 18 47.060 2.399 0.970 0.947 1.000 1.000 CB 1.668 18 residues pruned to eliminate duplicates Z: 18 14.872 2.066 0.578 0.433 0.882 0.412 CB 1.344 18 residues pruned to eliminate duplicates Z: 62 51.183 2.300 0.720 0.592 0.934 0.738 CB 1.623 62 residues pruned to eliminate duplicates Z: 13 5.159 1.684 0.494 0.243 0.750 0.333 CB 1.063 13 residues pruned to eliminate duplicates Z: 36 36.270 2.064 0.694 0.743 0.971 0.714 CB 1.453 36 residues pruned to eliminate duplicates Z: 20 36.631 2.211 0.729 0.909 1.000 0.789 CA 1.560 20 residues pruned to eliminate duplicates Z: 11 21.201 1.977 0.727 0.920 1.000 0.700 CA 1.382 11 residues pruned to eliminate duplicates Z: 26 33.959 2.250 0.801 0.749 0.920 0.720 CA 1.459 26 residues pruned to eliminate duplicates Z: 76 53.937 2.241 0.746 0.517 0.933 0.587 CB 1.676 76 residues pruned to eliminate duplicates Z: 7 4.042 1.631 0.338 0.480 0.667 0.333 CB 1.157 7 residues pruned to eliminate duplicates Z: 20 19.266 1.998 0.779 0.493 0.895 0.632 CB 1.399 20 residues pruned to eliminate duplicates Z: 21 18.678 1.939 0.659 0.428 0.950 0.700 CB 1.472 21 residues pruned to eliminate duplicates Z: 38 27.495 1.961 0.492 0.683 0.946 0.784 CB 1.381 38 residues pruned to eliminate duplicates Z: 34 25.189 1.999 0.426 0.699 0.970 0.758 CB 1.323 34 residues pruned to eliminate duplicates Z: 12 12.673 2.248 0.238 0.871 0.909 0.909 CA 1.102 12 residues pruned to eliminate duplicates Z: 20 20.749 1.887 0.629 0.896 0.947 0.842 CA 1.171 20 residues pruned to eliminate duplicates Z: 7 8.275 1.630 0.866 0.756 1.000 0.833 CB 0.885 7 residues pruned to eliminate duplicates Z: 19 33.956 2.019 1.058 0.933 1.000 0.611 CA 1.344 19 residues pruned to eliminate duplicates Z: 7 9.466 1.695 0.885 0.667 0.833 0.667 CB 1.243 Z: 17 24.826 2.064 0.508 0.924 1.000 0.812 CA 1.400 17 residues pruned to eliminate duplicates Z: 8 5.982 1.740 0.361 0.520 0.857 0.714 CB 1.093 Z: 49 38.748 2.103 0.820 0.523 0.917 0.688 CA 1.559 49 residues pruned to eliminate duplicates Z: 8 3.303 1.558 0.150 0.434 0.857 0.429 CB 0.871 Z: 19 23.473 2.235 0.738 0.598 0.833 0.556 CA 1.557 19 residues pruned to eliminate duplicates Z: 10 21.011 1.984 1.196 0.727 0.889 0.222 CB 1.475 10 residues pruned to eliminate duplicates Z: 6 7.393 1.675 0.857 0.617 0.800 0.600 CA 1.189 6 residues pruned to eliminate duplicates Z: 9 9.107 1.919 0.600 0.766 1.000 0.750 CB 0.829 Z: 7 2.218 1.494 0.372 0.288 0.500 0.333 O 1.121 Z: 20 24.449 1.909 0.680 0.914 1.000 0.895 CA 1.237 20 residues pruned to eliminate duplicates Z: 21 24.249 2.023 0.684 0.569 1.000 0.600 CA 1.490 21 residues pruned to eliminate duplicates Z: 20 13.638 1.826 0.393 0.615 0.842 0.737 CA 1.310 20 residues pruned to eliminate duplicates Z: 6 6.964 1.757 0.041 0.839 1.000 1.000 CB 1.271 Z: 18 37.191 2.428 0.698 0.930 1.000 0.882 CA 1.530 18 residues pruned to eliminate duplicates Z: 9 6.516 1.935 0.461 0.337 0.875 0.375 CB 1.113 9 residues pruned to eliminate duplicates Z: 11 19.172 2.026 1.122 0.803 0.800 0.600 CA 1.353 11 residues pruned to eliminate duplicates Z: 6 6.693 1.916 0.421 0.825 1.000 0.800 CB 0.829 6 residues pruned to eliminate duplicates Z: 8 5.075 1.590 0.373 0.338 0.857 0.571 CB 1.223 Z: 13 9.478 1.745 0.079 0.886 0.917 0.833 CA 1.144 13 residues pruned to eliminate duplicates Z: 11 19.238 2.054 0.470 0.940 1.000 0.900 CA 1.400 11 residues pruned to eliminate duplicates Z: 31 35.334 2.070 0.709 0.769 0.967 0.700 CB 1.487 34 residues pruned to eliminate duplicates Z: 21 22.536 1.871 0.711 0.911 0.950 0.850 CA 1.174 21 residues pruned to eliminate duplicates Z: 8 3.994 1.554 0.174 0.555 0.857 0.571 CB 0.915 8 residues pruned to eliminate duplicates Z: 20 14.991 1.822 0.142 0.918 1.000 1.000 CA 1.166 20 residues pruned to eliminate duplicates Z: 56 44.305 2.254 0.709 0.575 0.927 0.691 CB 1.555 56 residues pruned to eliminate duplicates Z: 23 19.778 2.102 0.671 0.353 0.909 0.545 CB 1.549 31 residues pruned to eliminate duplicates Z: 27 11.702 1.866 0.699 0.214 0.808 0.500 CB 1.255 27 residues pruned to eliminate duplicates Z: 19 16.949 1.962 0.261 0.849 1.000 0.722 CA 1.197 19 residues pruned to eliminate duplicates Z: 53 46.862 2.258 0.797 0.487 0.962 0.654 CA 1.687 53 residues pruned to eliminate duplicates Z: 22 25.292 2.081 0.495 0.602 1.000 0.714 CB 1.611 23 residues pruned to eliminate duplicates Z: 108 67.573 2.236 0.840 0.602 0.897 0.654 CA 1.607 108 residues pruned to eliminate duplicates Z: 26 25.043 2.189 0.678 0.469 0.960 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 19 23.317 1.987 0.691 0.913 0.944 0.833 CA 1.226 19 residues pruned to eliminate duplicates Z: 11 20.681 1.985 0.584 0.932 1.000 0.900 CA 1.453 11 residues pruned to eliminate duplicates Z: 64 59.637 2.292 0.921 0.655 0.937 0.651 CB 1.577 64 residues pruned to eliminate duplicates Z: 10 3.925 1.829 -0.180 0.521 0.889 0.667 CB 0.961 Z: 7 4.597 1.482 0.308 0.725 0.833 0.500 CA 0.948 7 residues pruned to eliminate duplicates Z: 39 32.956 2.011 0.846 0.558 0.895 0.658 CB 1.522 39 residues pruned to eliminate duplicates Z: 18 49.077 2.409 1.058 0.921 1.000 0.588 CB 1.690 18 residues pruned to eliminate duplicates Z: 19 42.173 2.297 0.797 0.899 1.000 0.722 CA 1.721 19 residues pruned to eliminate duplicates Z: 7 3.902 1.593 -0.115 0.588 1.000 0.667 CB 1.038 Z: 11 17.011 2.171 0.458 0.841 1.000 0.800 CA 1.267 11 residues pruned to eliminate duplicates Z: 30 30.855 1.989 0.708 0.750 0.966 0.828 CB 1.398 30 residues pruned to eliminate duplicates Z: 38 28.032 1.986 0.425 0.717 0.946 0.757 CB 1.415 38 residues pruned to eliminate duplicates Z: 19 21.490 2.105 0.861 0.575 0.889 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 12 19.118 2.029 0.436 0.883 1.000 0.818 CA 1.430 12 residues pruned to eliminate duplicates Z: 10 21.987 2.107 1.160 0.890 0.889 0.556 CB 1.303 10 residues pruned to eliminate duplicates Z: 7 5.954 1.689 0.328 0.460 0.833 0.500 CB 1.355 Z: 21 25.120 1.784 0.968 0.929 0.950 0.700 CB 1.178 21 residues pruned to eliminate duplicates Z: 22 23.261 1.939 0.486 0.844 0.952 0.905 CB 1.376 22 residues pruned to eliminate duplicates Z: 18 16.814 1.992 0.163 0.922 1.000 0.882 CB 1.238 18 residues pruned to eliminate duplicates Z: 19 22.123 2.057 0.884 0.418 0.889 0.722 CB 1.648 19 residues pruned to eliminate duplicates Z: 10 8.771 1.694 0.548 0.461 0.889 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 19 31.448 2.305 0.547 0.900 1.000 0.833 CA 1.484 19 residues pruned to eliminate duplicates Z: 33 30.388 2.048 0.795 0.567 0.875 0.562 CB 1.566 41 residues pruned to eliminate duplicates Z: 12 17.454 1.917 0.558 0.915 0.909 0.545 CA 1.370 12 residues pruned to eliminate duplicates Z: 6 5.471 1.642 0.802 0.581 0.800 0.800 CB 0.956 Z: 6 2.762 1.236 0.698 0.550 0.800 0.600 N 0.700 Z: 11 24.660 2.101 0.700 0.920 0.900 0.400 CB 1.709 11 residues pruned to eliminate duplicates Z: 18 35.031 2.353 0.548 0.903 1.000 0.882 CB 1.662 18 residues pruned to eliminate duplicates Z: 20 21.110 1.863 0.522 0.919 1.000 0.632 CB 1.204 20 residues pruned to eliminate duplicates Z: 14 12.393 1.746 0.792 0.510 0.923 0.692 CA 1.179 14 residues pruned to eliminate duplicates Z: 52 39.426 2.224 0.737 0.467 0.922 0.588 CB 1.603 52 residues pruned to eliminate duplicates Z: 11 17.510 1.968 0.432 0.922 1.000 0.700 CA 1.382 11 residues pruned to eliminate duplicates Z: 34 32.637 2.027 0.738 0.692 0.909 0.667 CB 1.488 34 residues pruned to eliminate duplicates Z: 16 21.890 1.875 0.689 0.849 1.000 0.667 CB 1.322 16 residues pruned to eliminate duplicates Z: 7 4.199 1.602 0.349 0.480 0.667 0.667 CB 1.214 7 residues pruned to eliminate duplicates Z: 34 32.316 2.077 0.838 0.601 0.909 0.667 CA 1.473 34 residues pruned to eliminate duplicates Z: 10 23.514 2.291 1.004 0.884 1.000 0.778 CA 1.234 10 residues pruned to eliminate duplicates Z: 19 16.232 1.876 0.212 0.894 1.000 0.889 CA 1.207 19 residues pruned to eliminate duplicates Z: 6 4.654 1.495 0.576 0.559 1.000 0.600 CB 0.834 Z: 12 23.562 2.056 0.512 0.891 1.000 0.636 CA 1.643 13 residues pruned to eliminate duplicates Z: 18 19.194 1.993 0.708 0.434 0.941 0.706 CA 1.556 25 residues pruned to eliminate duplicates Z: 11 15.576 1.982 0.411 0.912 1.000 0.500 CA 1.248 11 residues pruned to eliminate duplicates Z: 11 17.180 1.932 0.933 0.661 0.900 0.700 CB 1.393 11 residues pruned to eliminate duplicates Z: 14 30.107 2.357 0.987 0.702 1.000 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 20 17.795 1.901 0.425 0.911 1.000 0.895 CA 1.068 20 residues pruned to eliminate duplicates Z: 8 4.594 1.823 0.634 0.230 0.714 0.286 CB 1.118 8 residues pruned to eliminate duplicates Z: 51 53.100 2.288 0.934 0.640 0.940 0.660 CB 1.583 51 residues pruned to eliminate duplicates Z: 7 10.140 1.949 0.461 0.797 1.000 0.667 CA 1.120 7 residues pruned to eliminate duplicates Z: 11 4.411 1.592 0.151 0.330 0.800 0.400 N 1.147 Z: 7 12.489 2.001 0.809 0.801 0.833 0.833 CA 1.299 7 residues pruned to eliminate duplicates Z: 34 50.300 2.282 1.108 0.781 0.909 0.667 CB 1.563 34 residues pruned to eliminate duplicates Z: 18 17.802 1.970 0.217 0.919 1.000 0.941 CB 1.269 18 residues pruned to eliminate duplicates Z: 8 5.732 1.697 0.254 0.488 0.857 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 19 20.572 2.072 0.708 0.572 1.000 0.611 CB 1.278 19 residues pruned to eliminate duplicates Z: 27 33.380 2.308 0.639 0.569 0.923 0.615 CA 1.753 27 residues pruned to eliminate duplicates Z: 6 18.392 1.801 1.222 0.865 1.000 1.000 N 1.505 Z: 11 21.558 2.173 0.557 0.889 1.000 0.800 CB 1.451 11 residues pruned to eliminate duplicates Z: 106 64.695 2.242 0.795 0.566 0.914 0.667 CB 1.610 106 residues pruned to eliminate duplicates Z: 24 20.701 1.869 0.441 0.670 0.913 0.652 CB 1.501 24 residues pruned to eliminate duplicates 8 1.590 1.363 0.178 0.112 0.571 0.143 CB 1.069 ? Z: 10 22.710 2.192 0.694 0.897 1.000 0.889 CB 1.459 10 residues pruned to eliminate duplicates Z: 51 55.341 2.232 1.116 0.639 0.940 0.640 CB 1.547 52 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 25.346 2.030 1.150 0.828 0.917 0.667 CB 1.377 14 residues pruned to eliminate duplicates Z: 13 21.855 1.982 0.924 0.690 1.000 0.750 CA 1.391 13 residues pruned to eliminate duplicates Z: 70 55.864 2.246 0.878 0.621 0.928 0.623 CB 1.534 70 residues pruned to eliminate duplicates Z: 11 21.272 2.016 1.293 0.859 0.800 0.700 CB 1.338 11 residues pruned to eliminate duplicates Z: 66 59.778 2.277 0.935 0.651 0.938 0.631 CB 1.558 66 residues pruned to eliminate duplicates Z: 108 71.180 2.275 0.802 0.597 0.935 0.645 CB 1.637 108 residues pruned to eliminate duplicates Z: 109 71.151 2.258 0.873 0.603 0.898 0.694 CB 1.634 109 residues pruned to eliminate duplicates Z: 108 76.598 2.273 0.915 0.605 0.944 0.636 CB 1.630 108 residues pruned to eliminate duplicates Z: 91 61.517 2.272 0.917 0.566 0.878 0.656 CB 1.592 91 residues pruned to eliminate duplicates Z: 109 77.242 2.278 0.894 0.612 0.944 0.722 CB 1.640 108 residues pruned to eliminate duplicates Z: 12 21.434 2.089 1.258 0.754 0.818 0.545 CB 1.335 12 residues pruned to eliminate duplicates Z: 109 73.684 2.272 0.880 0.601 0.917 0.630 CB 1.644 109 residues pruned to eliminate duplicates Z: 35 49.367 2.271 1.080 0.773 0.941 0.765 CB 1.496 35 residues pruned to eliminate duplicates Z: 21 35.896 2.334 0.854 0.811 0.900 0.650 CA 1.571 21 residues pruned to eliminate duplicates Z: 99 68.782 2.273 0.845 0.575 0.929 0.684 CA 1.660 99 residues pruned to eliminate duplicates Z: 22 42.841 2.381 0.967 0.794 0.952 0.714 CB 1.619 22 residues pruned to eliminate duplicates Z: 65 60.809 2.285 0.982 0.652 0.938 0.594 CB 1.553 66 residues pruned to eliminate duplicates Z: 18 48.200 2.427 1.243 0.945 0.941 0.824 CA 1.579 18 residues pruned to eliminate duplicates Z: 33 31.336 2.170 0.825 0.617 0.875 0.531 CB 1.432 33 residues pruned to eliminate duplicates Z: 108 78.656 2.283 0.924 0.612 0.953 0.654 CB 1.632 108 residues pruned to eliminate duplicates Z: 109 74.250 2.273 0.897 0.614 0.917 0.667 CB 1.623 109 residues pruned to eliminate duplicates Z: 109 70.104 2.239 0.860 0.601 0.917 0.648 CB 1.605 109 residues pruned to eliminate duplicates Z: 66 61.970 2.275 1.017 0.648 0.938 0.662 CB 1.554 66 residues pruned to eliminate duplicates Z: 34 55.107 2.316 1.370 0.770 0.909 0.545 CB 1.514 34 residues pruned to eliminate duplicates Z: 51 53.200 2.152 1.070 0.660 0.960 0.640 CB 1.517 51 residues pruned to eliminate duplicates Z: 107 75.571 2.288 0.911 0.611 0.934 0.613 CB 1.618 107 residues pruned to eliminate duplicates Z: 37 34.170 2.140 0.782 0.588 0.917 0.444 CB 1.498 47 residues pruned to eliminate duplicates Z: 109 78.152 2.270 0.942 0.607 0.954 0.630 CB 1.616 109 residues pruned to eliminate duplicates Z: 98 68.076 2.277 0.845 0.580 0.928 0.680 CB 1.642 98 residues pruned to eliminate duplicates Z: 98 67.196 2.286 0.849 0.573 0.918 0.619 CB 1.640 98 residues pruned to eliminate duplicates Z: 109 71.140 2.251 0.883 0.584 0.917 0.556 CB 1.625 109 residues pruned to eliminate duplicates Z: 109 72.901 2.268 0.857 0.601 0.935 0.657 CB 1.618 109 residues pruned to eliminate duplicates Z: 107 77.041 2.280 0.941 0.616 0.915 0.632 CB 1.656 107 residues pruned to eliminate duplicates Z: 7 4.193 1.760 0.003 0.480 1.000 0.333 CA 0.989 7 residues pruned to eliminate duplicates Z: 75 50.125 2.261 0.678 0.510 0.905 0.649 CA 1.679 75 residues pruned to eliminate duplicates Z: 109 77.782 2.266 0.942 0.608 0.935 0.657 CB 1.642 109 residues pruned to eliminate duplicates Z: 75 51.270 2.257 0.783 0.530 0.865 0.568 CB 1.663 74 residues pruned to eliminate duplicates Z: 8 5.344 1.612 0.531 0.396 0.857 0.571 CA 1.065 8 residues pruned to eliminate duplicates Z: 109 72.269 2.250 0.896 0.603 0.907 0.537 CB 1.629 109 residues pruned to eliminate duplicates Z: 75 54.076 2.257 0.799 0.530 0.905 0.568 CB 1.660 75 residues pruned to eliminate duplicates Z: 75 57.017 2.273 0.815 0.530 0.946 0.608 CB 1.649 75 residues pruned to eliminate duplicates Z: 7 8.877 1.702 0.675 0.459 1.000 0.500 CA 1.326 7 residues pruned to eliminate duplicates Z: 76 49.812 2.255 0.713 0.524 0.880 0.627 CB 1.652 76 residues pruned to eliminate duplicates Z: 41 34.804 2.275 0.744 0.495 0.875 0.650 CB 1.594 41 residues pruned to eliminate duplicates Z: 72 49.845 2.228 0.755 0.542 0.887 0.592 CA 1.637 72 residues pruned to eliminate duplicates Z: 65 65.113 2.302 1.125 0.636 0.938 0.594 CB 1.562 65 residues pruned to eliminate duplicates Z: 73 53.760 2.277 0.712 0.535 0.931 0.667 CA 1.687 73 residues pruned to eliminate duplicates Z: 12 30.370 2.397 0.734 0.897 1.000 0.545 CA 1.577 12 residues pruned to eliminate duplicates Z: 35 26.049 2.146 0.646 0.461 0.853 0.500 CB 1.543 41 residues pruned to eliminate duplicates Z: 79 51.534 2.213 0.720 0.514 0.923 0.551 CB 1.639 79 residues pruned to eliminate duplicates Z: 106 68.658 2.255 0.846 0.569 0.924 0.590 CB 1.630 106 residues pruned to eliminate duplicates Z: 108 70.936 2.273 0.827 0.591 0.925 0.645 CB 1.635 108 residues pruned to eliminate duplicates Z: 70 58.017 2.287 0.913 0.563 0.942 0.609 CB 1.594 70 residues pruned to eliminate duplicates Z: 109 67.644 2.245 0.818 0.597 0.907 0.639 CB 1.602 109 residues pruned to eliminate duplicates Z: 73 50.301 2.242 0.713 0.501 0.917 0.667 CA 1.682 73 residues pruned to eliminate duplicates Z: 75 64.194 2.271 0.960 0.598 0.959 0.635 CA 1.591 75 residues pruned to eliminate duplicates Z: 27 31.722 2.258 0.732 0.522 0.923 0.577 CA 1.687 27 residues pruned to eliminate duplicates Z: 76 52.685 2.230 0.763 0.517 0.947 0.667 CA 1.608 76 residues pruned to eliminate duplicates Z: 108 76.962 2.250 0.970 0.596 0.944 0.542 CB 1.622 108 residues pruned to eliminate duplicates Z: 64 46.362 2.233 0.755 0.569 0.937 0.651 CA 1.489 64 residues pruned to eliminate duplicates Z: 27 29.239 2.215 0.709 0.575 0.923 0.615 CA 1.527 27 residues pruned to eliminate duplicates Z: 14 13.275 2.107 0.659 0.411 0.846 0.538 CB 1.366 14 residues pruned to eliminate duplicates Z: 96 68.783 2.282 0.833 0.589 0.937 0.642 CA 1.653 96 residues pruned to eliminate duplicates Z: 26 26.278 2.278 0.529 0.558 0.880 0.640 CA 1.621 26 residues pruned to eliminate duplicates Z: 21 14.389 2.142 0.560 0.293 0.800 0.450 CA 1.518 21 residues pruned to eliminate duplicates Z: 59 36.957 2.238 0.704 0.433 0.828 0.586 CA 1.649 59 residues pruned to eliminate duplicates Z: 33 24.596 2.165 0.582 0.445 0.844 0.500 CB 1.591 33 residues pruned to eliminate duplicates Z: 47 43.947 2.212 0.830 0.541 0.913 0.674 CA 1.685 47 residues pruned to eliminate duplicates Z: 79 53.403 2.222 0.762 0.523 0.910 0.628 CA 1.658 79 residues pruned to eliminate duplicates Z: 48 44.407 2.223 0.804 0.535 0.915 0.638 CA 1.706 48 residues pruned to eliminate duplicates Z: 36 36.583 2.195 0.672 0.576 0.971 0.714 CA 1.612 36 residues pruned to eliminate duplicates Z: 51 38.468 2.142 0.692 0.506 0.920 0.700 CA 1.621 51 residues pruned to eliminate duplicates Z: 20 25.473 2.219 0.934 0.377 0.947 0.579 CA 1.638 20 residues pruned to eliminate duplicates Z: 39 39.148 2.177 0.792 0.571 0.921 0.658 CA 1.650 39 residues pruned to eliminate duplicates Z: 39 38.814 2.190 0.894 0.563 0.895 0.684 CA 1.595 39 residues pruned to eliminate duplicates Z: 39 37.739 2.194 0.838 0.568 0.868 0.737 CA 1.636 39 residues pruned to eliminate duplicates Z: 75 52.823 2.237 0.755 0.531 0.932 0.662 CA 1.626 75 residues pruned to eliminate duplicates Z: 35 37.172 2.160 0.842 0.580 0.882 0.676 CB 1.681 35 residues pruned to eliminate duplicates Z: 38 39.235 2.195 0.879 0.564 0.892 0.730 CA 1.649 38 residues pruned to eliminate duplicates Z: 36 36.841 2.230 0.744 0.555 0.886 0.657 CA 1.714 36 residues pruned to eliminate duplicates Z: 39 35.636 2.177 0.749 0.543 0.921 0.658 CA 1.580 39 residues pruned to eliminate duplicates Z: 38 41.132 2.191 0.806 0.574 0.973 0.649 CA 1.636 38 residues pruned to eliminate duplicates Z: 23 19.272 2.135 0.825 0.332 0.818 0.591 CA 1.549 23 residues pruned to eliminate duplicates Z: 36 34.375 2.164 0.658 0.561 0.914 0.714 CA 1.670 36 residues pruned to eliminate duplicates Z: 37 43.775 2.234 0.822 0.602 0.972 0.722 CA 1.674 37 residues pruned to eliminate duplicates Z: 36 35.212 2.171 0.662 0.545 0.943 0.714 CA 1.674 36 residues pruned to eliminate duplicates Z: 26 32.755 2.122 0.757 0.628 0.960 0.760 CA 1.623 26 residues pruned to eliminate duplicates Z: 35 43.266 2.264 0.851 0.599 0.941 0.735 CA 1.712 35 residues pruned to eliminate duplicates Z: 37 34.809 2.162 0.678 0.552 0.972 0.722 CB 1.563 37 residues pruned to eliminate duplicates Z: 48 43.751 2.205 0.721 0.538 0.957 0.596 CB 1.691 48 residues pruned to eliminate duplicates Z: 46 45.518 2.228 0.869 0.536 0.933 0.689 CA 1.684 46 residues pruned to eliminate duplicates Z: 49 39.163 2.198 0.804 0.504 0.896 0.625 CB 1.586 49 residues pruned to eliminate duplicates Z: 52 33.474 2.103 0.676 0.488 0.863 0.588 CB 1.560 52 residues pruned to eliminate duplicates Z: 25 32.048 2.123 0.727 0.668 0.958 0.792 CA 1.594 25 residues pruned to eliminate duplicates Z: 25 29.005 2.125 0.649 0.644 0.917 0.750 CA 1.612 25 residues pruned to eliminate duplicates Z: 38 42.594 2.190 0.928 0.591 0.919 0.730 CA 1.654 38 residues pruned to eliminate duplicates Z: 36 43.456 2.235 0.863 0.592 0.943 0.571 CB 1.713 36 residues pruned to eliminate duplicates Z: 43 40.005 2.172 0.831 0.548 0.881 0.548 CA 1.681 43 residues pruned to eliminate duplicates Z: 37 40.694 2.200 0.904 0.584 0.917 0.556 CB 1.630 37 residues pruned to eliminate duplicates Z: 35 40.173 2.178 0.879 0.608 0.912 0.647 CB 1.666 35 residues pruned to eliminate duplicates Z: 36 42.107 2.216 0.982 0.557 0.914 0.657 CB 1.677 36 residues pruned to eliminate duplicates Z: 109 70.075 2.229 0.805 0.610 0.954 0.620 CB 1.583 109 residues pruned to eliminate duplicates Z: 6 5.225 1.383 0.694 0.621 0.800 0.400 N 1.113 6 residues pruned to eliminate duplicates Z: 32 32.700 2.057 0.703 0.747 0.935 0.613 CA 1.438 32 residues pruned to eliminate duplicates Z: 37 36.586 2.049 0.754 0.709 0.972 0.639 CB 1.443 37 residues pruned to eliminate duplicates Z: 37 35.841 2.050 0.726 0.736 0.944 0.639 CB 1.447 37 residues pruned to eliminate duplicates Z: 37 36.802 2.056 0.674 0.710 1.000 0.583 CB 1.473 37 residues pruned to eliminate duplicates Z: 35 35.502 2.089 0.659 0.738 0.971 0.706 CB 1.462 35 residues pruned to eliminate duplicates Z: 36 37.862 2.073 0.831 0.737 0.943 0.686 CB 1.447 36 residues pruned to eliminate duplicates Z: 36 36.245 2.046 0.826 0.710 0.943 0.629 CB 1.437 36 residues pruned to eliminate duplicates Z: 36 33.839 2.091 0.671 0.736 0.914 0.629 CB 1.448 36 residues pruned to eliminate duplicates Z: 37 39.188 2.043 0.862 0.719 0.972 0.667 CB 1.448 37 residues pruned to eliminate duplicates Z: 16 29.398 2.077 0.784 0.939 1.000 0.400 CB 1.424 16 residues pruned to eliminate duplicates Z: 37 36.193 2.043 0.714 0.729 0.944 0.694 CB 1.484 37 residues pruned to eliminate duplicates Z: 37 35.860 2.051 0.742 0.712 0.972 0.722 CB 1.420 37 residues pruned to eliminate duplicates Z: 41 33.208 1.952 0.729 0.686 0.950 0.600 CA 1.381 41 residues pruned to eliminate duplicates Z: 35 35.891 2.048 0.773 0.725 0.971 0.676 CB 1.425 35 residues pruned to eliminate duplicates Z: 36 39.475 2.092 0.862 0.709 0.971 0.657 CB 1.458 36 residues pruned to eliminate duplicates Z: 21 25.473 2.021 0.765 0.819 0.950 0.950 CA 1.275 21 residues pruned to eliminate duplicates Z: 36 38.664 2.099 0.826 0.732 0.943 0.600 CB 1.468 36 residues pruned to eliminate duplicates Z: 21 20.582 2.086 0.667 0.546 0.850 0.700 CB 1.489 21 residues pruned to eliminate duplicates Z: 37 36.623 2.057 0.763 0.727 0.944 0.611 CB 1.452 37 residues pruned to eliminate duplicates Z: 37 33.752 2.056 0.731 0.706 0.944 0.667 CB 1.388 37 residues pruned to eliminate duplicates Z: 19 22.425 2.174 0.716 0.533 0.944 0.611 CB 1.452 19 residues pruned to eliminate duplicates Z: 35 38.708 2.092 0.795 0.745 1.000 0.676 CB 1.419 35 residues pruned to eliminate duplicates Z: 9 11.342 2.053 0.631 0.472 1.000 0.625 CA 1.232 9 residues pruned to eliminate duplicates Z: 40 34.994 1.984 0.800 0.693 0.923 0.744 CA 1.425 40 residues pruned to eliminate duplicates Z: 35 41.210 2.118 0.815 0.750 1.000 0.765 CB 1.470 35 residues pruned to eliminate duplicates Z: 37 37.308 2.023 0.871 0.734 0.944 0.806 CB 1.410 37 residues pruned to eliminate duplicates Z: 36 35.155 2.025 0.764 0.705 0.943 0.600 CB 1.464 36 residues pruned to eliminate duplicates Z: 39 34.914 1.980 0.752 0.673 1.000 0.605 CB 1.392 39 residues pruned to eliminate duplicates Z: 41 30.546 1.954 0.701 0.633 0.950 0.650 CB 1.350 36 residues pruned to eliminate duplicates Z: 6 2.542 1.689 0.676 0.304 0.600 0.400 CA 0.832 6 residues pruned to eliminate duplicates Z: 36 37.549 2.081 0.798 0.727 0.943 0.686 CB 1.466 41 residues pruned to eliminate duplicates Z: 13 33.542 2.193 1.333 0.758 1.000 0.667 CA 1.504 12 residues pruned to eliminate duplicates Z: 12 34.404 2.232 1.386 0.754 1.000 0.909 CA 1.553 12 residues pruned to eliminate duplicates Z: 109 72.555 2.262 0.815 0.596 0.954 0.648 CB 1.627 110 residues pruned to eliminate duplicates Z: 11 30.761 2.338 1.227 0.906 0.900 0.500 CA 1.476 11 residues pruned to eliminate duplicates Z: 33 57.310 2.326 1.169 0.784 0.969 0.719 CA 1.614 33 residues pruned to eliminate duplicates Z: 12 29.709 2.157 1.294 0.895 1.000 0.455 CA 1.298 12 residues pruned to eliminate duplicates Z: 120 70.293 2.194 0.796 0.597 0.950 0.672 CB 1.570 120 residues pruned to eliminate duplicates Z: 109 75.089 2.228 0.875 0.609 0.963 0.676 CB 1.620 109 residues pruned to eliminate duplicates Z: 12 29.133 2.166 1.345 0.825 0.909 0.727 CA 1.436 12 residues pruned to eliminate duplicates Z: 112 68.915 2.211 0.854 0.578 0.919 0.604 CB 1.610 112 residues pruned to eliminate duplicates Z: 104 78.651 2.312 0.919 0.612 0.942 0.592 CB 1.668 104 residues pruned to eliminate duplicates Z: 106 76.248 2.270 0.883 0.611 0.943 0.629 CB 1.662 106 residues pruned to eliminate duplicates Z: 95 64.744 2.260 0.860 0.594 0.894 0.670 CB 1.625 95 residues pruned to eliminate duplicates Z: 34 52.837 2.307 1.096 0.774 0.939 0.667 CA 1.589 34 residues pruned to eliminate duplicates Z: 104 77.417 2.313 0.911 0.606 0.942 0.573 CB 1.657 104 residues pruned to eliminate duplicates Z: 41 39.212 2.112 0.928 0.652 0.900 0.675 CA 1.469 41 residues pruned to eliminate duplicates Z: 108 76.912 2.275 0.899 0.609 0.944 0.617 CB 1.644 108 residues pruned to eliminate duplicates Z: 34 52.277 2.337 1.059 0.780 0.939 0.667 CB 1.573 34 residues pruned to eliminate duplicates Z: 111 69.646 2.226 0.836 0.594 0.918 0.664 CB 1.619 111 residues pruned to eliminate duplicates Z: 35 55.202 2.311 1.209 0.777 0.941 0.618 CB 1.543 35 residues pruned to eliminate duplicates Z: 104 66.229 2.173 0.902 0.588 0.913 0.621 CB 1.591 103 residues pruned to eliminate duplicates Z: 20 45.064 2.254 1.040 0.910 1.000 0.526 CB 1.594 20 residues pruned to eliminate duplicates Z: 24 36.914 2.245 1.082 0.707 0.957 0.478 CB 1.426 24 residues pruned to eliminate duplicates Z: 35 46.742 2.214 1.172 0.744 0.912 0.412 CB 1.470 35 residues pruned to eliminate duplicates Z: 104 79.449 2.314 0.988 0.611 0.922 0.680 CB 1.661 105 residues pruned to eliminate duplicates Z: 19 42.078 2.313 1.190 0.941 0.889 0.278 CB 1.529 19 residues pruned to eliminate duplicates Z: 29 35.765 2.128 1.096 0.659 0.857 0.429 CB 1.525 29 residues pruned to eliminate duplicates Z: 56 51.385 2.254 0.889 0.592 0.927 0.564 CB 1.607 56 residues pruned to eliminate duplicates Z: 33 64.368 2.345 1.338 0.806 0.969 0.562 CB 1.640 33 residues pruned to eliminate duplicates Z: 33 60.234 2.340 1.316 0.794 0.969 0.656 CB 1.567 33 residues pruned to eliminate duplicates Z: 144 73.200 2.193 0.790 0.596 0.916 0.566 CB 1.553 144 residues pruned to eliminate duplicates Z: 20 44.982 2.319 1.207 0.882 0.947 0.368 CB 1.541 20 residues pruned to eliminate duplicates Z: 146 76.067 2.176 0.814 0.605 0.931 0.655 CB 1.556 146 residues pruned to eliminate duplicates Z: 109 77.334 2.259 0.984 0.607 0.926 0.639 CB 1.620 109 residues pruned to eliminate duplicates Z: 118 66.902 2.205 0.879 0.572 0.889 0.573 CB 1.566 118 residues pruned to eliminate duplicates Z: 74 54.417 2.247 0.862 0.534 0.890 0.671 CB 1.654 74 residues pruned to eliminate duplicates Z: 55 41.249 2.252 0.763 0.456 0.907 0.574 CA 1.630 55 residues pruned to eliminate duplicates Z: 76 52.437 2.210 0.846 0.537 0.907 0.640 CB 1.578 76 residues pruned to eliminate duplicates Z: 79 50.165 2.236 0.668 0.510 0.936 0.577 CB 1.611 79 residues pruned to eliminate duplicates Z: 78 49.200 2.167 0.784 0.511 0.896 0.636 CB 1.601 78 residues pruned to eliminate duplicates Z: 74 59.685 2.312 0.828 0.608 0.945 0.644 CB 1.578 74 residues pruned to eliminate duplicates Z: 65 60.613 2.297 0.923 0.627 0.938 0.688 CB 1.623 65 residues pruned to eliminate duplicates Z: 75 53.724 2.201 0.821 0.541 0.932 0.595 CB 1.606 75 residues pruned to eliminate duplicates Z: 57 40.633 2.219 0.816 0.449 0.875 0.518 CA 1.623 57 residues pruned to eliminate duplicates Z: 64 61.866 2.321 0.861 0.625 0.952 0.667 CB 1.684 64 residues pruned to eliminate duplicates Z: 106 76.360 2.289 0.913 0.618 0.933 0.667 CB 1.631 106 residues pruned to eliminate duplicates Z: 104 75.762 2.251 0.965 0.614 0.951 0.592 CB 1.593 104 residues pruned to eliminate duplicates Z: 29 25.553 2.242 0.652 0.477 0.857 0.536 CB 1.557 29 residues pruned to eliminate duplicates Z: 41 39.565 2.276 0.762 0.479 0.950 0.625 CB 1.678 41 residues pruned to eliminate duplicates Z: 106 70.897 2.279 0.909 0.596 0.914 0.571 CB 1.587 106 residues pruned to eliminate duplicates Z: 74 55.829 2.233 0.786 0.549 0.932 0.589 CA 1.676 74 residues pruned to eliminate duplicates Z: 29 28.693 2.250 0.631 0.490 0.893 0.571 CB 1.671 29 residues pruned to eliminate duplicates Z: 110 69.124 2.217 0.827 0.585 0.945 0.587 CB 1.594 110 residues pruned to eliminate duplicates Z: 108 78.932 2.283 0.944 0.612 0.935 0.626 CB 1.654 108 residues pruned to eliminate duplicates Z: 107 74.174 2.277 0.848 0.607 0.943 0.698 CB 1.638 107 residues pruned to eliminate duplicates Z: 27 33.189 2.279 0.695 0.522 0.923 0.577 CB 1.786 27 residues pruned to eliminate duplicates Z: 106 74.888 2.263 0.907 0.598 0.952 0.610 CB 1.619 106 residues pruned to eliminate duplicates Z: 94 59.820 2.287 0.740 0.567 0.914 0.667 CB 1.598 94 residues pruned to eliminate duplicates Z: 54 43.335 2.305 0.774 0.455 0.887 0.642 CB 1.719 54 residues pruned to eliminate duplicates Z: 51 34.977 2.134 0.630 0.535 0.880 0.620 CB 1.561 51 residues pruned to eliminate duplicates Z: 73 67.071 2.348 0.981 0.611 0.958 0.653 CB 1.597 73 residues pruned to eliminate duplicates Z: 30 25.268 2.284 0.403 0.475 0.931 0.586 CB 1.613 30 residues pruned to eliminate duplicates Z: 106 76.639 2.277 0.919 0.612 0.952 0.648 CB 1.615 106 residues pruned to eliminate duplicates Z: 109 68.015 2.234 0.801 0.591 0.926 0.667 CB 1.611 108 residues pruned to eliminate duplicates Z: 9 8.310 1.890 0.479 0.589 0.875 0.500 CB 1.103 9 residues pruned to eliminate duplicates Z: 47 42.033 2.167 0.884 0.536 0.935 0.609 CA 1.568 47 residues pruned to eliminate duplicates Z: 109 73.110 2.236 0.910 0.591 0.935 0.602 CB 1.614 109 residues pruned to eliminate duplicates Z: 49 41.930 2.255 0.818 0.502 0.875 0.646 CB 1.684 49 residues pruned to eliminate duplicates Z: 47 42.228 2.176 0.817 0.556 0.935 0.609 CA 1.596 47 residues pruned to eliminate duplicates Z: 74 52.560 2.252 0.789 0.539 0.904 0.671 CA 1.626 74 residues pruned to eliminate duplicates Z: 77 52.545 2.170 0.807 0.539 0.934 0.645 CB 1.583 77 residues pruned to eliminate duplicates Z: 33 28.820 2.261 0.787 0.403 0.844 0.500 CB 1.655 33 residues pruned to eliminate duplicates Z: 49 39.796 2.113 0.766 0.532 0.958 0.646 CA 1.556 49 residues pruned to eliminate duplicates Z: 104 81.171 2.298 1.018 0.621 0.942 0.670 CB 1.634 104 residues pruned to eliminate duplicates Z: 104 74.307 2.239 0.943 0.602 0.932 0.573 CB 1.638 104 residues pruned to eliminate duplicates Z: 110 74.273 2.239 0.931 0.609 0.936 0.651 CB 1.586 110 residues pruned to eliminate duplicates Z: 105 74.392 2.291 0.903 0.613 0.933 0.760 CB 1.612 105 residues pruned to eliminate duplicates Z: 106 72.663 2.241 1.008 0.587 0.895 0.648 CB 1.619 106 residues pruned to eliminate duplicates Z: 47 38.202 2.162 0.753 0.499 0.935 0.500 CB 1.592 47 residues pruned to eliminate duplicates Z: 39 36.856 2.122 0.918 0.588 0.895 0.632 CA 1.508 39 residues pruned to eliminate duplicates Z: 43 35.597 2.097 0.850 0.532 0.881 0.643 CA 1.558 43 residues pruned to eliminate duplicates Z: 77 53.952 2.184 0.852 0.544 0.908 0.697 CA 1.614 77 residues pruned to eliminate duplicates Z: 46 41.839 2.200 0.788 0.554 0.956 0.533 CA 1.574 46 residues pruned to eliminate duplicates Z: 47 42.445 2.181 0.854 0.547 0.935 0.652 CA 1.580 47 residues pruned to eliminate duplicates Z: 74 51.288 2.214 0.842 0.480 0.918 0.534 CB 1.637 74 residues pruned to eliminate duplicates Z: 25 27.356 2.038 0.745 0.639 0.917 0.667 CA 1.503 25 residues pruned to eliminate duplicates Z: 94 69.490 2.276 0.957 0.573 0.935 0.570 CB 1.612 94 residues pruned to eliminate duplicates Z: 25 23.883 1.961 0.658 0.617 0.958 0.708 CA 1.401 25 residues pruned to eliminate duplicates Z: 144 73.524 2.160 0.771 0.597 0.951 0.664 CB 1.541 144 residues pruned to eliminate duplicates Z: 22 29.662 2.093 0.863 0.616 0.952 0.571 CA 1.562 22 residues pruned to eliminate duplicates Z: 50 35.756 2.102 0.786 0.474 0.918 0.551 CA 1.522 50 residues pruned to eliminate duplicates Z: 35 42.321 2.131 0.997 0.599 0.971 0.559 CA 1.599 35 residues pruned to eliminate duplicates Z: 109 70.326 2.224 0.860 0.580 0.954 0.639 CB 1.588 109 residues pruned to eliminate duplicates Z: 109 68.505 2.218 0.881 0.562 0.935 0.602 CB 1.592 109 residues pruned to eliminate duplicates Z: 40 35.492 2.048 0.995 0.520 0.923 0.641 CA 1.477 40 residues pruned to eliminate duplicates Z: 26 27.173 1.920 0.840 0.589 1.000 0.840 CA 1.413 26 residues pruned to eliminate duplicates Z: 28 32.240 2.065 1.000 0.622 0.889 0.593 CA 1.507 28 residues pruned to eliminate duplicates Z: 48 38.633 2.205 0.727 0.508 0.894 0.596 CB 1.642 48 residues pruned to eliminate duplicates Z: 24 31.658 2.021 0.914 0.668 1.000 0.652 CA 1.461 24 residues pruned to eliminate duplicates Z: 25 31.145 1.984 0.921 0.653 1.000 0.708 CA 1.447 25 residues pruned to eliminate duplicates Z: 22 24.702 1.903 0.696 0.703 1.000 0.714 CA 1.389 22 residues pruned to eliminate duplicates Z: 37 43.545 2.150 1.043 0.625 0.944 0.639 CA 1.555 37 residues pruned to eliminate duplicates Z: 24 32.467 2.025 0.915 0.676 1.000 0.696 CA 1.485 24 residues pruned to eliminate duplicates Z: 48 38.365 2.103 0.791 0.540 0.936 0.702 CA 1.527 48 residues pruned to eliminate duplicates Z: 26 32.294 1.977 0.908 0.654 1.000 0.720 CA 1.484 26 residues pruned to eliminate duplicates Z: 23 32.301 2.018 0.969 0.690 0.955 0.682 CA 1.525 23 residues pruned to eliminate duplicates Z: 55 34.901 1.946 0.543 0.679 0.981 0.815 CB 1.367 55 residues pruned to eliminate duplicates Z: 89 45.020 2.029 0.571 0.574 0.966 0.670 CB 1.451 89 residues pruned to eliminate duplicates Z: 38 28.458 1.885 0.620 0.650 0.973 0.757 CA 1.369 38 residues pruned to eliminate duplicates Z: 8 4.397 1.489 0.228 0.579 0.857 0.429 CB 0.983 Z: 19 18.092 2.000 0.200 0.923 1.000 0.778 CA 1.248 27 residues pruned to eliminate duplicates Z: 35 35.154 2.087 0.682 0.727 0.971 0.618 CB 1.442 35 residues pruned to eliminate duplicates Z: 39 28.983 1.976 0.504 0.656 0.974 0.711 CB 1.405 39 residues pruned to eliminate duplicates Z: 36 34.532 2.083 0.548 0.728 1.000 0.686 CB 1.475 36 residues pruned to eliminate duplicates Z: 18 24.538 2.024 0.536 0.941 1.000 0.765 CB 1.328 18 residues pruned to eliminate duplicates Z: 38 29.396 2.025 0.436 0.677 0.973 0.730 CB 1.452 38 residues pruned to eliminate duplicates Z: 38 31.628 2.010 0.544 0.675 1.000 0.649 CB 1.426 38 residues pruned to eliminate duplicates Z: 37 34.657 2.043 0.634 0.713 0.972 0.722 CB 1.468 37 residues pruned to eliminate duplicates Z: 37 32.931 2.055 0.577 0.690 0.972 0.778 CB 1.463 37 residues pruned to eliminate duplicates Z: 38 31.402 2.024 0.592 0.674 0.946 0.811 CB 1.443 38 residues pruned to eliminate duplicates Z: 39 30.731 2.002 0.527 0.662 0.974 0.658 CB 1.442 39 residues pruned to eliminate duplicates Z: 38 29.570 2.021 0.631 0.661 0.892 0.676 CB 1.425 38 residues pruned to eliminate duplicates Z: 37 33.943 2.051 0.593 0.691 1.000 0.611 CB 1.454 37 residues pruned to eliminate duplicates Z: 32 32.949 2.045 0.652 0.741 1.000 0.645 CB 1.411 32 residues pruned to eliminate duplicates Z: 38 32.813 2.012 0.630 0.679 1.000 0.622 CB 1.395 38 residues pruned to eliminate duplicates Z: 37 32.137 2.056 0.545 0.686 1.000 0.694 CB 1.422 37 residues pruned to eliminate duplicates Z: 37 33.013 2.049 0.578 0.698 1.000 0.694 CB 1.420 37 residues pruned to eliminate duplicates Z: 38 29.506 2.001 0.600 0.655 0.946 0.649 CB 1.386 38 residues pruned to eliminate duplicates Z: 36 29.452 2.059 0.486 0.700 0.943 0.686 CB 1.438 36 residues pruned to eliminate duplicates Z: 39 27.254 1.977 0.440 0.654 0.974 0.711 CB 1.381 39 residues pruned to eliminate duplicates Z: 39 29.016 1.977 0.494 0.663 0.974 0.763 CB 1.407 39 residues pruned to eliminate duplicates Z: 38 28.532 2.022 0.430 0.667 0.973 0.811 CB 1.429 38 residues pruned to eliminate duplicates Z: 38 29.088 2.013 0.454 0.678 0.973 0.811 CB 1.426 38 residues pruned to eliminate duplicates Z: 38 31.648 2.019 0.555 0.679 1.000 0.703 CB 1.405 38 residues pruned to eliminate duplicates Z: 38 30.603 2.027 0.464 0.678 1.000 0.784 CB 1.439 38 residues pruned to eliminate duplicates Z: 31 29.044 2.066 0.541 0.753 1.000 0.700 CB 1.329 31 residues pruned to eliminate duplicates Z: 36 32.207 2.050 0.564 0.725 1.000 0.771 CB 1.386 36 residues pruned to eliminate duplicates Z: 38 28.430 2.012 0.477 0.686 0.946 0.730 CB 1.402 38 residues pruned to eliminate duplicates Z: 37 32.452 2.048 0.565 0.697 1.000 0.639 CB 1.410 37 residues pruned to eliminate duplicates Z: 38 34.049 2.022 0.632 0.681 1.000 0.730 CB 1.436 37 residues pruned to eliminate duplicates Z: 6 3.739 1.634 0.632 0.244 0.800 0.400 CA 1.053 6 residues pruned to eliminate duplicates Z: 11 10.675 1.871 0.648 0.356 0.900 0.600 CA 1.421 11 residues pruned to eliminate duplicates Z: 39 29.780 1.973 0.618 0.625 0.974 0.658 CB 1.381 39 residues pruned to eliminate duplicates Z: 11 10.487 1.846 0.579 0.345 0.900 0.700 CA 1.496 11 residues pruned to eliminate duplicates Z: 26 23.283 1.986 0.605 0.514 1.000 0.720 CA 1.440 26 residues pruned to eliminate duplicates Z: 39 29.100 1.975 0.531 0.666 0.974 0.816 CB 1.374 39 residues pruned to eliminate duplicates 289 residues left after pruning, divided into chains as follows: A: 107 B: 36 C: 146 CC for partial structure against native data = 49.58 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.521, Connect. = 0.709 for dens.mod. cycle 1 = 0.300, Contrast = 0.601, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.711, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.722, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.732, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.735, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.739, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.739, Connect. = 0.772 for dens.mod. cycle 8 = 0.300, Contrast = 0.740, Connect. = 0.773 for dens.mod. cycle 9 = 0.300, Contrast = 0.741, Connect. = 0.773 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1875 peaks > 0.5 sigma used to seed fragment search Space for about 436 unique residues taking solvent into account 420 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 28.901 2.390 0.714 0.916 0.909 0.727 CA 1.653 B: 19 34.171 2.255 0.847 0.939 0.889 0.722 CB 1.512 C: 11 26.024 2.216 0.673 0.890 1.000 0.900 CA 1.597 D: 12 36.078 2.395 0.904 0.874 1.000 0.636 CA 1.736 12 residues pruned to eliminate duplicates E: 12 18.966 2.126 0.736 0.856 0.818 0.818 CA 1.397 12 residues pruned to eliminate duplicates F: 11 27.739 2.395 0.769 0.858 0.900 0.600 CA 1.694 11 residues pruned to eliminate duplicates G: 11 30.307 2.279 0.975 0.892 1.000 0.800 CA 1.530 11 residues pruned to eliminate duplicates H: 20 39.709 2.205 0.903 0.947 1.000 0.737 CB 1.500 19 residues pruned to eliminate duplicates I: 37 35.638 2.204 0.738 0.501 0.917 0.639 CA 1.690 J: 55 47.289 2.269 0.811 0.609 0.907 0.630 CB 1.557 40 residues pruned to eliminate duplicates K: 12 32.629 2.398 0.736 0.913 1.000 0.818 CA 1.672 12 residues pruned to eliminate duplicates L: 20 39.511 2.228 0.920 0.933 0.947 0.842 CA 1.561 20 residues pruned to eliminate duplicates M: 11 28.906 2.470 0.937 0.883 0.800 0.500 CB 1.727 N: 12 21.013 2.056 0.395 0.885 1.000 0.909 CA 1.595 14 residues pruned to eliminate duplicates O: 42 43.715 2.192 0.852 0.552 0.976 0.634 CA 1.638 35 residues pruned to eliminate duplicates P: 12 28.799 2.403 0.685 0.901 1.000 0.545 CA 1.531 11 residues pruned to eliminate duplicates Q: 18 54.171 2.426 1.263 0.936 1.000 0.588 CB 1.667 R: 19 34.605 2.276 0.733 0.945 1.000 0.667 CA 1.431 19 residues pruned to eliminate duplicates S: 19 26.441 1.964 0.762 0.898 1.000 0.611 CB 1.288 T: 12 38.344 2.395 0.920 0.898 1.000 0.727 CB 1.799 12 residues pruned to eliminate duplicates U: 75 53.029 2.208 0.688 0.537 0.973 0.635 CA 1.639 29 residues pruned to eliminate duplicates V: 13 30.974 2.289 0.936 0.913 1.000 0.750 CB 1.428 13 residues pruned to eliminate duplicates W: 12 34.680 2.405 0.890 0.906 1.000 0.636 CB 1.636 12 residues pruned to eliminate duplicates X: 76 51.165 2.255 0.737 0.531 0.880 0.600 CB 1.663 55 residues pruned to eliminate duplicates Y: 19 47.463 2.309 1.256 0.922 1.000 0.722 CB 1.510 19 residues pruned to eliminate duplicates Z: 37 41.271 2.125 1.059 0.566 0.917 0.611 CA 1.608 38 residues pruned to eliminate duplicates Z: 19 27.348 1.958 0.831 0.891 1.000 0.389 CA 1.293 19 residues pruned to eliminate duplicates Z: 12 24.677 2.150 1.133 0.863 0.818 0.727 CA 1.455 12 residues pruned to eliminate duplicates Z: 76 53.133 2.187 0.799 0.523 0.947 0.653 CA 1.610 76 residues pruned to eliminate duplicates Z: 20 43.576 2.256 1.268 0.924 0.947 0.632 CB 1.448 20 residues pruned to eliminate duplicates Z: 27 12.408 1.936 0.436 0.315 0.808 0.462 CB 1.330 27 residues pruned to eliminate duplicates Z: 32 27.754 2.255 0.734 0.449 0.903 0.581 CB 1.488 32 residues pruned to eliminate duplicates Z: 12 28.475 2.132 1.310 0.882 1.000 0.545 CA 1.261 11 residues pruned to eliminate duplicates Z: 11 31.751 2.304 1.171 0.916 1.000 0.700 CA 1.418 12 residues pruned to eliminate duplicates Z: 12 35.072 2.398 0.890 0.918 1.000 0.818 CA 1.645 12 residues pruned to eliminate duplicates Z: 19 37.291 2.286 0.893 0.885 1.000 0.889 CA 1.467 18 residues pruned to eliminate duplicates Z: 28 22.030 2.128 0.616 0.509 0.815 0.519 CA 1.500 28 residues pruned to eliminate duplicates Z: 36 35.122 2.216 0.661 0.551 0.914 0.686 CA 1.680 36 residues pruned to eliminate duplicates Z: 20 31.564 2.253 0.708 0.899 0.947 0.737 CA 1.420 20 residues pruned to eliminate duplicates Z: 12 20.337 2.045 0.670 0.901 0.909 0.727 CA 1.410 12 residues pruned to eliminate duplicates Z: 11 29.314 2.500 0.697 0.899 0.900 0.700 CA 1.736 11 residues pruned to eliminate duplicates Z: 36 35.565 2.078 0.597 0.730 0.971 0.800 CB 1.516 Z: 13 19.735 1.942 0.603 0.835 1.000 0.750 CA 1.371 14 residues pruned to eliminate duplicates Z: 19 42.276 2.273 1.072 0.951 0.944 0.611 CB 1.543 20 residues pruned to eliminate duplicates Z: 18 45.086 2.407 0.978 0.937 0.941 0.824 CB 1.699 18 residues pruned to eliminate duplicates Z: 6 10.991 2.042 0.135 0.825 1.000 0.800 CB 1.602 Z: 39 34.130 2.215 0.750 0.455 0.895 0.553 CB 1.671 39 residues pruned to eliminate duplicates Z: 20 24.039 2.134 0.549 0.611 1.000 0.737 CB 1.501 20 residues pruned to eliminate duplicates Z: 19 33.622 2.252 0.704 0.936 0.944 0.833 CB 1.524 19 residues pruned to eliminate duplicates Z: 11 27.983 2.262 1.037 0.911 0.900 0.700 CA 1.512 11 residues pruned to eliminate duplicates Z: 19 47.278 2.322 1.194 0.915 1.000 0.722 CB 1.546 19 residues pruned to eliminate duplicates Z: 19 36.424 2.270 0.687 0.917 1.000 0.944 CA 1.582 19 residues pruned to eliminate duplicates Z: 20 35.535 2.221 0.937 0.910 0.947 0.474 CB 1.418 20 residues pruned to eliminate duplicates Z: 19 37.675 2.327 0.784 0.924 1.000 0.556 CB 1.502 19 residues pruned to eliminate duplicates Z: 19 26.664 1.944 0.753 0.904 1.000 0.611 CB 1.313 19 residues pruned to eliminate duplicates Z: 18 32.374 2.129 1.060 0.853 0.941 0.529 CB 1.405 17 residues pruned to eliminate duplicates Z: 13 22.496 1.995 0.491 0.878 1.000 0.833 CA 1.584 12 residues pruned to eliminate duplicates Z: 18 46.714 2.414 1.064 0.943 0.941 0.706 CB 1.674 18 residues pruned to eliminate duplicates Z: 18 49.060 2.421 1.020 0.952 1.000 0.824 CB 1.676 18 residues pruned to eliminate duplicates Z: 25 31.253 2.135 0.616 0.664 0.958 0.750 CA 1.658 25 residues pruned to eliminate duplicates Z: 11 24.598 2.136 0.504 0.923 1.000 0.800 CA 1.701 11 residues pruned to eliminate duplicates Z: 16 28.263 2.067 0.780 0.942 1.000 0.600 CB 1.376 16 residues pruned to eliminate duplicates Z: 19 28.594 1.968 0.937 0.922 1.000 0.667 CB 1.243 19 residues pruned to eliminate duplicates Z: 18 50.318 2.412 1.105 0.956 1.000 0.588 CB 1.651 18 residues pruned to eliminate duplicates Z: 12 28.475 2.095 1.377 0.898 0.909 0.727 CA 1.357 11 residues pruned to eliminate duplicates Z: 20 41.483 2.202 1.352 0.933 0.947 0.526 CB 1.354 20 residues pruned to eliminate duplicates Z: 44 41.603 2.193 0.820 0.541 0.907 0.744 CA 1.684 44 residues pruned to eliminate duplicates Z: 20 37.203 2.242 0.961 0.898 1.000 0.789 CA 1.388 20 residues pruned to eliminate duplicates Z: 19 47.755 2.226 1.344 0.925 1.000 0.556 CB 1.513 19 residues pruned to eliminate duplicates Z: 20 41.568 2.222 1.111 0.937 1.000 0.789 CB 1.415 20 residues pruned to eliminate duplicates Z: 39 24.168 1.974 0.689 0.463 0.868 0.553 CB 1.406 39 residues pruned to eliminate duplicates Z: 19 41.492 2.273 1.099 0.948 0.944 0.611 CB 1.499 19 residues pruned to eliminate duplicates Z: 37 42.628 2.206 0.864 0.590 0.944 0.694 CA 1.679 37 residues pruned to eliminate duplicates Z: 35 40.025 2.247 0.788 0.578 0.941 0.647 CA 1.684 35 residues pruned to eliminate duplicates Z: 36 33.860 2.078 0.575 0.690 0.971 0.686 CB 1.513 36 residues pruned to eliminate duplicates Z: 12 19.927 1.928 0.976 0.904 0.909 0.818 CA 1.235 Z: 36 32.743 2.069 0.531 0.715 0.971 0.800 CB 1.481 36 residues pruned to eliminate duplicates Z: 20 24.797 1.913 0.829 0.739 0.947 0.842 CA 1.384 20 residues pruned to eliminate duplicates Z: 98 54.474 2.212 0.803 0.549 0.876 0.546 CB 1.508 98 residues pruned to eliminate duplicates Z: 43 34.042 2.119 0.833 0.532 0.857 0.667 CA 1.528 43 residues pruned to eliminate duplicates Z: 37 39.176 2.210 0.821 0.589 0.889 0.694 CB 1.676 37 residues pruned to eliminate duplicates Z: 78 49.805 2.150 0.829 0.494 0.896 0.558 CA 1.620 77 residues pruned to eliminate duplicates Z: 19 50.735 2.314 1.339 0.930 1.000 0.667 CB 1.545 19 residues pruned to eliminate duplicates Z: 11 37.747 2.181 1.509 0.902 1.000 0.500 CA 1.556 12 residues pruned to eliminate duplicates Z: 13 20.409 2.006 0.419 0.875 1.000 0.833 CA 1.505 13 residues pruned to eliminate duplicates Z: 19 30.107 1.932 0.986 0.912 1.000 0.556 CB 1.310 19 residues pruned to eliminate duplicates Z: 36 27.854 1.949 0.538 0.671 0.943 0.686 CB 1.423 36 residues pruned to eliminate duplicates Z: 11 27.158 2.070 1.134 0.905 1.000 0.900 CA 1.384 12 residues pruned to eliminate duplicates Z: 45 41.383 2.188 0.820 0.533 0.955 0.568 CB 1.588 45 residues pruned to eliminate duplicates Z: 10 36.279 2.544 0.872 0.892 1.000 0.444 CA 1.824 10 residues pruned to eliminate duplicates Z: 36 30.000 2.058 0.391 0.728 1.000 0.686 CB 1.443 36 residues pruned to eliminate duplicates Z: 47 32.729 2.209 0.689 0.432 0.891 0.500 CB 1.557 47 residues pruned to eliminate duplicates Z: 24 26.624 2.042 0.776 0.703 0.913 0.696 CA 1.394 24 residues pruned to eliminate duplicates Z: 38 30.710 2.001 0.484 0.696 1.000 0.622 CB 1.422 38 residues pruned to eliminate duplicates Z: 109 78.620 2.241 0.962 0.610 0.963 0.611 CB 1.610 104 residues pruned to eliminate duplicates Z: 107 74.309 2.247 0.928 0.616 0.934 0.670 CB 1.599 107 residues pruned to eliminate duplicates Z: 48 35.234 2.105 0.614 0.532 0.894 0.723 CB 1.639 48 residues pruned to eliminate duplicates Z: 42 36.732 2.207 0.791 0.483 0.902 0.634 CB 1.636 42 residues pruned to eliminate duplicates Z: 14 18.919 1.945 0.555 0.830 0.923 0.538 CA 1.413 14 residues pruned to eliminate duplicates Z: 14 15.190 1.702 0.310 0.906 1.000 0.923 CA 1.344 14 residues pruned to eliminate duplicates Z: 33 35.899 2.321 0.748 0.517 0.906 0.688 CB 1.697 33 residues pruned to eliminate duplicates Z: 19 48.760 2.273 1.358 0.915 1.000 0.333 CA 1.515 19 residues pruned to eliminate duplicates Z: 11 30.929 2.076 1.512 0.915 1.000 0.800 CB 1.326 11 residues pruned to eliminate duplicates Z: 12 21.511 1.975 0.953 0.898 0.909 0.727 CA 1.323 12 residues pruned to eliminate duplicates Z: 27 31.797 2.027 0.962 0.668 0.923 0.808 CA 1.455 27 residues pruned to eliminate duplicates Z: 35 27.533 1.989 0.625 0.662 0.941 0.676 CB 1.336 35 residues pruned to eliminate duplicates Z: 18 34.359 1.977 1.137 0.952 1.000 0.412 CB 1.359 18 residues pruned to eliminate duplicates Z: 96 70.264 2.286 0.841 0.585 0.937 0.663 CB 1.684 98 residues pruned to eliminate duplicates Z: 93 62.844 2.229 0.869 0.596 0.913 0.565 CB 1.572 95 residues pruned to eliminate duplicates Z: 19 34.877 1.944 1.144 0.917 1.000 0.667 CB 1.392 19 residues pruned to eliminate duplicates Z: 17 43.152 2.377 0.924 0.941 1.000 0.812 CA 1.637 17 residues pruned to eliminate duplicates Z: 23 26.514 2.124 0.502 0.621 1.000 0.773 CB 1.580 23 residues pruned to eliminate duplicates Z: 75 48.290 2.167 0.740 0.545 0.905 0.703 CA 1.573 73 residues pruned to eliminate duplicates Z: 12 13.052 1.850 0.230 0.866 0.909 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 30 26.101 2.210 0.530 0.504 0.862 0.483 CA 1.656 30 residues pruned to eliminate duplicates Z: 18 36.943 2.313 0.785 0.914 1.000 0.706 CA 1.535 18 residues pruned to eliminate duplicates Z: 12 23.002 2.123 1.043 0.835 0.818 0.636 CB 1.464 12 residues pruned to eliminate duplicates Z: 43 28.814 2.058 0.498 0.475 0.929 0.571 CB 1.593 43 residues pruned to eliminate duplicates Z: 11 29.832 2.054 1.240 0.932 1.000 1.000 CA 1.431 11 residues pruned to eliminate duplicates Z: 11 28.519 2.041 1.577 0.902 1.000 0.700 CB 1.223 11 residues pruned to eliminate duplicates Z: 38 32.053 2.006 0.567 0.670 1.000 0.730 CB 1.433 38 residues pruned to eliminate duplicates Z: 10 27.800 2.239 1.427 0.914 0.889 0.778 CB 1.357 11 residues pruned to eliminate duplicates Z: 7 6.326 1.791 0.506 0.788 0.833 0.667 CB 0.892 7 residues pruned to eliminate duplicates Z: 47 37.338 2.206 0.645 0.540 0.870 0.630 CB 1.677 47 residues pruned to eliminate duplicates Z: 10 35.741 2.271 1.513 0.929 1.000 0.778 CB 1.461 10 residues pruned to eliminate duplicates Z: 19 23.591 1.937 0.593 0.906 1.000 0.611 CA 1.281 19 residues pruned to eliminate duplicates Z: 18 41.008 2.258 1.017 0.916 1.000 0.588 CB 1.543 18 residues pruned to eliminate duplicates Z: 109 70.526 2.235 0.917 0.587 0.917 0.574 CB 1.590 103 residues pruned to eliminate duplicates Z: 10 33.606 2.285 1.253 0.920 1.000 1.000 CB 1.532 10 residues pruned to eliminate duplicates Z: 19 28.593 1.977 0.875 0.924 0.944 0.611 CB 1.352 19 residues pruned to eliminate duplicates Z: 7 8.090 1.761 0.741 0.544 0.833 0.667 CB 1.239 Z: 78 50.579 2.222 0.703 0.511 0.909 0.558 CB 1.657 78 residues pruned to eliminate duplicates Z: 12 27.065 2.026 1.139 0.915 1.000 0.727 CA 1.331 12 residues pruned to eliminate duplicates Z: 10 20.195 2.443 0.506 0.846 0.778 0.444 CB 1.747 10 residues pruned to eliminate duplicates Z: 19 27.575 1.963 0.792 0.911 1.000 0.722 CB 1.309 19 residues pruned to eliminate duplicates Z: 6 7.328 1.810 0.611 0.524 0.800 0.600 CA 1.372 Z: 18 23.194 2.034 0.515 0.931 1.000 0.941 CA 1.276 18 residues pruned to eliminate duplicates Z: 10 13.322 2.022 0.212 0.914 0.889 0.778 CA 1.441 10 residues pruned to eliminate duplicates Z: 7 9.582 1.662 0.621 0.762 0.833 0.667 CA 1.381 7 residues pruned to eliminate duplicates Z: 24 33.121 2.077 0.868 0.723 1.000 0.826 CA 1.456 25 residues pruned to eliminate duplicates Z: 49 43.771 2.195 0.826 0.564 0.917 0.562 CB 1.616 49 residues pruned to eliminate duplicates Z: 7 5.616 1.705 0.539 0.594 0.833 0.667 CB 0.958 Z: 12 24.323 1.985 0.971 0.859 1.000 0.818 CA 1.379 12 residues pruned to eliminate duplicates Z: 12 22.665 2.099 0.639 0.847 1.000 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 48 42.706 2.123 0.918 0.590 0.894 0.681 CB 1.571 49 residues pruned to eliminate duplicates Z: 18 21.631 2.037 0.422 0.924 1.000 0.824 CA 1.272 18 residues pruned to eliminate duplicates Z: 13 14.824 1.878 0.302 0.927 1.000 0.833 CA 1.226 13 residues pruned to eliminate duplicates Z: 98 59.896 2.256 0.791 0.544 0.897 0.557 CB 1.607 98 residues pruned to eliminate duplicates Z: 20 44.340 2.253 1.448 0.924 1.000 0.632 CB 1.295 20 residues pruned to eliminate duplicates Z: 32 23.705 2.133 0.590 0.528 0.806 0.645 CB 1.513 39 residues pruned to eliminate duplicates Z: 31 22.584 1.865 0.463 0.699 0.900 0.800 CB 1.401 31 residues pruned to eliminate duplicates Z: 11 31.479 2.156 1.207 0.913 1.000 0.900 CA 1.481 11 residues pruned to eliminate duplicates Z: 12 19.447 2.039 0.374 0.920 1.000 0.909 CA 1.473 12 residues pruned to eliminate duplicates Z: 12 20.015 2.021 0.385 0.872 1.000 0.818 CA 1.572 12 residues pruned to eliminate duplicates Z: 11 23.395 2.111 0.505 0.918 1.000 0.700 CA 1.642 11 residues pruned to eliminate duplicates Z: 24 24.210 2.204 0.835 0.403 0.913 0.478 CB 1.514 24 residues pruned to eliminate duplicates Z: 18 49.514 2.398 1.218 0.939 1.000 0.882 CA 1.569 18 residues pruned to eliminate duplicates Z: 7 5.395 1.729 0.256 0.775 0.833 0.833 CB 0.954 7 residues pruned to eliminate duplicates Z: 39 29.774 1.964 0.605 0.719 0.921 0.737 CB 1.365 23 residues pruned to eliminate duplicates Z: 24 29.009 2.042 0.843 0.709 0.957 0.870 CA 1.390 24 residues pruned to eliminate duplicates Z: 18 47.648 2.358 1.203 0.951 1.000 0.471 CB 1.533 18 residues pruned to eliminate duplicates Z: 37 37.732 2.134 0.761 0.568 0.944 0.611 CA 1.660 37 residues pruned to eliminate duplicates Z: 21 19.150 2.128 0.666 0.481 0.950 0.650 CB 1.296 21 residues pruned to eliminate duplicates Z: 12 28.128 2.318 0.809 0.911 0.909 0.455 CA 1.577 12 residues pruned to eliminate duplicates Z: 7 7.495 1.788 0.601 0.677 0.833 0.667 CA 1.089 7 residues pruned to eliminate duplicates Z: 20 39.411 2.222 1.179 0.941 0.947 0.789 CB 1.368 20 residues pruned to eliminate duplicates Z: 39 34.430 2.072 0.733 0.554 0.947 0.658 CB 1.558 39 residues pruned to eliminate duplicates Z: 10 26.523 2.242 0.979 0.889 1.000 0.889 CB 1.434 10 residues pruned to eliminate duplicates Z: 19 22.426 1.994 0.717 0.569 0.944 0.667 CA 1.529 19 residues pruned to eliminate duplicates Z: 19 39.038 2.283 0.889 0.894 1.000 0.722 CA 1.531 19 residues pruned to eliminate duplicates Z: 15 18.478 2.045 0.703 0.561 0.929 0.500 CB 1.439 15 residues pruned to eliminate duplicates Z: 19 51.254 2.293 1.389 0.935 1.000 0.778 CB 1.536 19 residues pruned to eliminate duplicates Z: 38 34.937 2.011 0.753 0.723 0.946 0.649 CA 1.408 38 residues pruned to eliminate duplicates Z: 20 35.515 2.241 0.769 0.933 0.947 0.684 CB 1.514 20 residues pruned to eliminate duplicates Z: 18 23.459 2.067 0.506 0.915 1.000 0.765 CA 1.291 18 residues pruned to eliminate duplicates Z: 12 15.763 1.929 0.235 0.895 1.000 0.545 CA 1.430 12 residues pruned to eliminate duplicates Z: 46 41.556 2.170 0.774 0.577 0.911 0.711 CB 1.639 46 residues pruned to eliminate duplicates Z: 18 27.180 2.033 0.821 0.921 0.941 0.706 CA 1.332 18 residues pruned to eliminate duplicates Z: 34 48.928 2.256 1.076 0.767 0.970 0.758 CA 1.480 34 residues pruned to eliminate duplicates Z: 6 10.586 1.886 0.179 0.839 1.000 1.000 CB 1.590 Z: 14 4.961 1.583 0.340 0.234 0.769 0.385 CA 1.149 14 residues pruned to eliminate duplicates Z: 21 18.883 1.819 0.438 0.791 0.950 0.800 CA 1.316 21 residues pruned to eliminate duplicates Z: 42 28.014 2.216 0.580 0.425 0.854 0.463 CB 1.582 42 residues pruned to eliminate duplicates Z: 18 42.172 2.404 0.891 0.944 1.000 0.588 CA 1.558 18 residues pruned to eliminate duplicates Z: 75 62.536 2.292 0.850 0.608 0.959 0.649 CB 1.612 75 residues pruned to eliminate duplicates Z: 12 12.875 1.871 0.196 0.912 0.909 0.909 CA 1.352 12 residues pruned to eliminate duplicates Z: 39 33.937 1.988 0.761 0.698 0.947 0.658 CB 1.385 35 residues pruned to eliminate duplicates Z: 33 29.082 2.031 0.728 0.702 0.844 0.562 CB 1.444 36 residues pruned to eliminate duplicates Z: 19 35.044 2.247 0.589 0.916 1.000 0.833 CA 1.633 19 residues pruned to eliminate duplicates Z: 36 38.371 2.048 0.888 0.726 1.000 0.629 CB 1.368 36 residues pruned to eliminate duplicates Z: 10 33.050 2.250 1.249 0.909 1.000 1.000 CA 1.545 10 residues pruned to eliminate duplicates Z: 11 12.859 1.872 0.194 0.926 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 26 34.541 2.112 0.758 0.639 1.000 0.800 CB 1.633 26 residues pruned to eliminate duplicates Z: 11 19.660 2.103 0.390 0.925 0.900 0.500 CB 1.659 11 residues pruned to eliminate duplicates Z: 76 49.136 2.244 0.649 0.531 0.893 0.627 CA 1.664 76 residues pruned to eliminate duplicates Z: 11 18.584 2.179 0.387 0.914 1.000 1.000 CA 1.375 11 residues pruned to eliminate duplicates Z: 38 37.220 2.164 0.767 0.578 0.892 0.730 CA 1.664 38 residues pruned to eliminate duplicates Z: 17 15.996 1.986 0.635 0.443 0.875 0.688 CB 1.493 17 residues pruned to eliminate duplicates Z: 10 8.789 1.782 0.139 0.814 1.000 0.444 CB 1.098 10 residues pruned to eliminate duplicates Z: 31 25.814 1.980 0.560 0.691 0.933 0.700 CB 1.373 37 residues pruned to eliminate duplicates Z: 42 36.302 2.205 0.751 0.541 0.878 0.659 CA 1.607 42 residues pruned to eliminate duplicates Z: 10 21.206 2.319 0.783 0.806 0.889 0.667 CA 1.472 10 residues pruned to eliminate duplicates Z: 37 30.034 2.119 0.564 0.512 0.944 0.639 CA 1.581 37 residues pruned to eliminate duplicates Z: 65 58.309 2.290 0.874 0.655 0.938 0.781 CA 1.568 65 residues pruned to eliminate duplicates Z: 8 4.413 1.522 0.649 0.601 0.857 0.429 CB 0.704 8 residues pruned to eliminate duplicates Z: 25 20.682 1.881 0.636 0.700 0.958 0.667 CB 1.193 25 residues pruned to eliminate duplicates Z: 19 35.486 2.205 0.844 0.910 0.944 0.667 CB 1.544 19 residues pruned to eliminate duplicates Z: 6 9.782 1.842 0.337 0.709 1.000 0.200 CB 1.469 6 residues pruned to eliminate duplicates Z: 12 16.038 1.923 0.271 0.942 1.000 1.000 CA 1.372 12 residues pruned to eliminate duplicates Z: 12 7.506 1.787 0.209 0.504 0.909 0.545 CB 1.148 12 residues pruned to eliminate duplicates Z: 6 10.942 1.826 0.467 0.794 1.000 1.000 CA 1.413 6 residues pruned to eliminate duplicates Z: 56 47.684 2.271 0.806 0.610 0.945 0.673 CB 1.495 56 residues pruned to eliminate duplicates Z: 17 6.420 1.525 0.194 0.426 0.875 0.500 CB 1.088 8 residues pruned to eliminate duplicates Z: 13 14.580 1.913 0.838 0.535 0.833 0.500 CA 1.387 13 residues pruned to eliminate duplicates Z: 63 50.421 2.246 0.832 0.590 0.903 0.516 CB 1.580 63 residues pruned to eliminate duplicates Z: 11 13.588 1.787 0.544 0.629 1.000 0.600 CB 1.380 11 residues pruned to eliminate duplicates Z: 37 25.729 1.807 0.696 0.671 0.944 0.694 CB 1.265 44 residues pruned to eliminate duplicates Z: 25 29.623 2.069 0.735 0.667 0.917 0.750 CA 1.574 25 residues pruned to eliminate duplicates Z: 37 36.363 2.031 0.773 0.698 0.972 0.667 CB 1.445 37 residues pruned to eliminate duplicates Z: 32 39.530 2.201 0.827 0.657 0.903 0.774 CA 1.690 32 residues pruned to eliminate duplicates Z: 34 21.282 1.924 0.416 0.571 0.879 0.545 CB 1.445 34 residues pruned to eliminate duplicates Z: 11 18.425 2.217 0.442 0.825 1.000 0.400 CA 1.376 11 residues pruned to eliminate duplicates Z: 16 17.539 1.933 0.694 0.873 0.867 0.600 CB 1.162 16 residues pruned to eliminate duplicates Z: 9 4.448 1.774 0.116 0.424 0.750 0.375 N 1.146 9 residues pruned to eliminate duplicates Z: 45 37.912 2.114 0.839 0.545 0.909 0.705 CA 1.547 45 residues pruned to eliminate duplicates Z: 19 14.849 1.933 0.312 0.878 0.944 0.722 CA 1.060 19 residues pruned to eliminate duplicates Z: 7 4.683 1.650 0.001 0.611 1.000 0.667 CB 1.042 Z: 18 22.233 1.972 0.456 0.946 1.000 0.824 CA 1.300 18 residues pruned to eliminate duplicates Z: 8 3.949 1.692 0.372 0.357 0.714 0.571 CB 1.050 Z: 18 15.931 1.895 0.435 0.539 0.941 0.765 CA 1.453 18 residues pruned to eliminate duplicates Z: 11 23.924 2.434 0.817 0.868 0.800 0.400 CB 1.563 11 residues pruned to eliminate duplicates Z: 108 72.216 2.271 0.832 0.607 0.935 0.645 CB 1.621 108 residues pruned to eliminate duplicates Z: 17 21.922 2.033 0.729 0.548 1.000 0.625 CB 1.488 17 residues pruned to eliminate duplicates Z: 35 32.851 1.916 0.858 0.708 0.971 0.618 CB 1.350 35 residues pruned to eliminate duplicates Z: 11 22.308 2.259 0.724 0.830 0.900 0.600 CB 1.514 11 residues pruned to eliminate duplicates Z: 18 45.464 2.403 1.034 0.935 0.941 0.706 CB 1.671 18 residues pruned to eliminate duplicates Z: 18 14.892 1.876 0.311 0.887 0.941 0.647 CA 1.125 18 residues pruned to eliminate duplicates Z: 19 33.803 2.224 0.878 0.872 1.000 0.778 CA 1.390 19 residues pruned to eliminate duplicates Z: 8 5.649 1.733 0.106 0.590 1.000 1.000 CB 1.021 Z: 7 2.725 1.598 -0.079 0.331 0.833 0.667 CB 1.090 Z: 7 4.244 1.594 0.244 0.770 0.667 0.667 CA 1.032 7 residues pruned to eliminate duplicates Z: 36 41.974 2.227 0.846 0.599 0.943 0.743 CA 1.666 36 residues pruned to eliminate duplicates Z: 20 21.882 2.116 0.651 0.580 0.947 0.632 CB 1.404 20 residues pruned to eliminate duplicates Z: 19 18.215 2.081 0.563 0.573 0.944 0.667 CB 1.303 19 residues pruned to eliminate duplicates Z: 19 38.329 2.306 0.985 0.860 0.944 0.722 CA 1.537 19 residues pruned to eliminate duplicates Z: 12 5.655 1.479 0.190 0.387 1.000 0.455 CB 1.093 Z: 22 18.857 2.068 0.483 0.459 0.905 0.667 CB 1.547 22 residues pruned to eliminate duplicates Z: 20 35.865 2.238 0.934 0.928 1.000 0.895 CA 1.331 20 residues pruned to eliminate duplicates Z: 20 39.263 2.183 1.113 0.942 0.947 0.632 CB 1.429 20 residues pruned to eliminate duplicates Z: 58 52.179 2.246 0.842 0.612 0.912 0.579 CB 1.646 58 residues pruned to eliminate duplicates Z: 21 17.191 1.950 0.162 0.906 1.000 0.950 CB 1.206 21 residues pruned to eliminate duplicates Z: 7 7.313 1.640 0.345 0.772 1.000 0.667 CB 1.064 7 residues pruned to eliminate duplicates Z: 52 49.967 2.246 0.870 0.618 0.961 0.745 CB 1.551 52 residues pruned to eliminate duplicates Z: 20 26.420 2.100 0.830 0.626 0.947 0.579 CB 1.479 20 residues pruned to eliminate duplicates Z: 19 25.678 2.242 0.552 0.874 1.000 0.667 CA 1.266 19 residues pruned to eliminate duplicates Z: 96 65.399 2.224 0.916 0.575 0.916 0.547 CB 1.599 96 residues pruned to eliminate duplicates Z: 18 26.460 1.982 0.913 0.940 0.941 0.471 CA 1.248 18 residues pruned to eliminate duplicates Z: 7 6.493 1.734 0.140 0.848 1.000 1.000 CB 0.994 6 residues pruned to eliminate duplicates Z: 6 5.081 1.500 0.343 0.642 0.800 0.600 O 1.235 6 residues pruned to eliminate duplicates Z: 7 4.697 1.560 0.734 0.403 0.833 0.333 CB 0.943 Z: 10 4.802 1.742 -0.120 0.576 1.000 0.667 CB 0.970 10 residues pruned to eliminate duplicates Z: 16 25.557 2.058 0.632 0.927 1.000 0.667 CA 1.377 16 residues pruned to eliminate duplicates Z: 18 20.496 2.055 0.431 0.907 0.941 0.824 CA 1.276 18 residues pruned to eliminate duplicates Z: 19 34.792 2.305 0.552 0.944 1.000 1.000 CA 1.588 19 residues pruned to eliminate duplicates Z: 52 40.859 2.228 0.797 0.484 0.882 0.569 CB 1.645 52 residues pruned to eliminate duplicates Z: 18 26.490 1.982 0.748 0.938 1.000 0.824 CB 1.290 18 residues pruned to eliminate duplicates Z: 7 6.754 1.566 0.816 0.804 0.833 0.667 CA 0.892 7 residues pruned to eliminate duplicates Z: 34 33.173 2.164 0.826 0.706 0.848 0.606 CA 1.429 34 residues pruned to eliminate duplicates Z: 14 10.032 2.017 0.387 0.297 0.846 0.308 CB 1.475 14 residues pruned to eliminate duplicates Z: 19 13.526 2.125 0.752 0.411 0.722 0.556 CB 1.301 19 residues pruned to eliminate duplicates Z: 53 47.296 2.286 0.851 0.621 0.904 0.596 CB 1.531 53 residues pruned to eliminate duplicates Z: 48 42.365 2.280 0.780 0.516 0.894 0.574 CB 1.677 48 residues pruned to eliminate duplicates Z: 35 34.605 2.071 0.571 0.743 1.000 0.735 CB 1.468 35 residues pruned to eliminate duplicates Z: 19 25.487 1.955 0.614 0.911 1.000 0.889 CA 1.349 19 residues pruned to eliminate duplicates Z: 15 19.018 2.122 0.698 0.513 0.929 0.571 CB 1.500 15 residues pruned to eliminate duplicates Z: 21 14.096 1.688 0.407 0.668 0.950 0.700 CB 1.196 27 residues pruned to eliminate duplicates Z: 11 7.229 1.722 0.687 0.405 0.800 0.600 N 1.088 Z: 8 24.093 2.209 1.007 0.885 1.000 0.857 CA 1.483 8 residues pruned to eliminate duplicates Z: 27 29.503 1.938 0.775 0.741 1.000 0.654 CA 1.356 27 residues pruned to eliminate duplicates Z: 18 26.682 2.284 0.353 0.891 1.000 0.941 CA 1.505 18 residues pruned to eliminate duplicates Z: 31 23.141 1.908 0.544 0.542 0.933 0.567 CA 1.475 32 residues pruned to eliminate duplicates Z: 11 12.078 1.984 0.776 0.630 0.700 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 8 15.499 2.265 0.583 0.533 1.000 0.714 CA 1.581 8 residues pruned to eliminate duplicates Z: 86 63.767 2.252 0.878 0.605 0.929 0.635 CB 1.593 86 residues pruned to eliminate duplicates Z: 7 3.299 1.354 0.689 0.565 0.500 0.500 CB 1.106 Z: 8 13.654 1.796 1.189 0.702 0.857 0.857 CB 1.274 Z: 9 3.414 1.485 0.656 0.272 0.625 0.500 O 1.018 Z: 18 23.650 1.939 0.709 0.879 0.941 0.471 CB 1.333 18 residues pruned to eliminate duplicates Z: 15 19.652 1.963 0.817 0.558 0.929 0.571 CB 1.498 15 residues pruned to eliminate duplicates Z: 10 18.339 2.011 0.466 0.916 1.000 0.778 CA 1.464 10 residues pruned to eliminate duplicates 6 0.816 1.471 -0.374 0.298 0.800 0.800 CB 0.621 ? Z: 11 22.477 2.057 0.514 0.876 1.000 0.800 CA 1.659 11 residues pruned to eliminate duplicates Z: 40 38.729 2.162 0.788 0.604 0.897 0.692 CA 1.619 40 residues pruned to eliminate duplicates Z: 69 59.051 2.235 0.895 0.581 0.941 0.632 CA 1.662 69 residues pruned to eliminate duplicates Z: 17 33.493 2.166 1.062 0.828 0.938 0.750 CB 1.506 17 residues pruned to eliminate duplicates Z: 50 52.976 2.235 1.113 0.636 0.918 0.551 CB 1.536 51 residues pruned to eliminate duplicates 6 1.914 1.654 0.259 0.431 0.400 0.400 CB 1.103 ? Z: 74 55.226 2.207 0.813 0.561 0.918 0.630 CB 1.659 74 residues pruned to eliminate duplicates Z: 12 14.744 1.900 0.342 0.838 0.818 0.545 CB 1.592 12 residues pruned to eliminate duplicates Z: 11 23.192 2.129 0.473 0.892 1.000 0.600 CB 1.680 11 residues pruned to eliminate duplicates Z: 7 3.227 1.404 0.232 0.368 0.833 0.833 CA 1.053 Z: 6 4.324 1.428 0.793 0.596 0.800 0.600 CB 0.861 6 2.000 1.820 -0.118 0.331 0.800 0.400 CB 0.838 ? Z: 10 16.431 2.066 0.259 0.927 1.000 0.889 CA 1.475 10 residues pruned to eliminate duplicates Z: 9 4.721 1.276 0.535 0.415 0.875 0.625 O 1.064 Z: 52 49.698 2.140 0.986 0.689 0.941 0.627 CB 1.463 51 residues pruned to eliminate duplicates Z: 41 36.137 2.274 0.663 0.483 0.950 0.500 CB 1.618 41 residues pruned to eliminate duplicates Z: 56 40.702 2.163 0.799 0.464 0.909 0.636 CB 1.609 56 residues pruned to eliminate duplicates Z: 31 31.094 2.024 0.787 0.711 0.933 0.633 CB 1.389 31 residues pruned to eliminate duplicates Z: 31 26.683 1.988 0.552 0.720 0.967 0.733 CB 1.339 31 residues pruned to eliminate duplicates Z: 7 11.673 1.812 0.948 0.806 1.000 1.000 CB 1.033 Z: 12 16.167 2.013 0.631 0.726 0.909 0.636 CA 1.332 12 residues pruned to eliminate duplicates 6 1.833 1.368 0.114 0.298 0.600 0.600 C 1.124 ? Z: 9 2.592 1.113 0.168 0.306 1.000 0.500 O 0.875 Z: 60 46.899 2.206 0.731 0.560 0.915 0.729 CB 1.648 60 residues pruned to eliminate duplicates Z: 19 17.840 1.943 0.330 0.892 0.944 0.722 CA 1.237 19 residues pruned to eliminate duplicates Z: 20 24.296 1.929 0.712 0.905 1.000 0.684 CA 1.202 20 residues pruned to eliminate duplicates Z: 66 47.153 2.224 0.802 0.560 0.923 0.585 CB 1.491 66 residues pruned to eliminate duplicates Z: 18 28.205 2.114 0.686 0.784 0.941 0.706 CA 1.589 18 residues pruned to eliminate duplicates Z: 19 51.355 2.314 1.321 0.946 1.000 0.722 CA 1.559 19 residues pruned to eliminate duplicates Z: 11 8.423 1.855 0.068 0.911 1.000 1.000 CB 0.953 11 residues pruned to eliminate duplicates Z: 37 29.046 1.884 0.840 0.671 0.917 0.556 CA 1.302 37 residues pruned to eliminate duplicates Z: 36 38.753 2.049 0.821 0.747 0.971 0.714 CB 1.449 36 residues pruned to eliminate duplicates Z: 18 49.042 2.415 1.251 0.932 0.941 0.529 CB 1.623 18 residues pruned to eliminate duplicates Z: 18 11.350 1.827 0.157 0.816 0.882 0.588 CA 1.121 18 residues pruned to eliminate duplicates Z: 48 37.711 2.128 0.806 0.553 0.894 0.596 CA 1.521 48 residues pruned to eliminate duplicates Z: 19 13.577 1.868 0.310 0.887 0.944 0.889 CA 0.999 19 residues pruned to eliminate duplicates Z: 6 4.003 1.515 0.238 0.583 0.800 0.600 O 1.102 Z: 6 3.473 1.453 0.562 0.300 0.800 0.400 N 1.069 Z: 12 19.279 1.999 0.322 0.905 1.000 0.909 CA 1.566 12 residues pruned to eliminate duplicates Z: 19 22.092 2.029 0.464 0.713 0.944 0.778 CA 1.530 19 residues pruned to eliminate duplicates Z: 14 20.624 1.920 0.781 0.758 1.000 0.846 CA 1.330 14 residues pruned to eliminate duplicates Z: 29 32.395 2.259 0.878 0.528 0.929 0.607 CB 1.512 29 residues pruned to eliminate duplicates Z: 23 18.163 2.114 0.640 0.379 0.909 0.545 CB 1.399 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 34 50.431 2.266 1.163 0.799 0.909 0.818 CB 1.517 34 residues pruned to eliminate duplicates Z: 36 41.247 2.190 1.060 0.704 0.914 0.686 CA 1.405 36 residues pruned to eliminate duplicates Z: 34 50.281 2.277 1.015 0.786 0.970 0.697 CB 1.530 34 residues pruned to eliminate duplicates Z: 65 63.072 2.293 0.981 0.654 0.969 0.656 CB 1.552 65 residues pruned to eliminate duplicates Z: 108 77.620 2.284 0.877 0.616 0.953 0.654 CB 1.644 108 residues pruned to eliminate duplicates Z: 10 29.913 2.256 1.410 0.895 0.889 0.667 CB 1.479 10 residues pruned to eliminate duplicates Z: 34 53.723 2.278 1.174 0.797 0.970 0.727 CB 1.502 34 residues pruned to eliminate duplicates Z: 109 71.641 2.273 0.827 0.598 0.926 0.648 CB 1.634 109 residues pruned to eliminate duplicates Z: 90 63.192 2.292 0.850 0.556 0.921 0.596 CB 1.623 90 residues pruned to eliminate duplicates Z: 34 52.278 2.261 1.156 0.780 0.970 0.697 CB 1.504 34 residues pruned to eliminate duplicates Z: 34 53.180 2.289 1.091 0.804 0.970 0.697 CB 1.530 34 residues pruned to eliminate duplicates Z: 14 20.606 2.072 1.216 0.705 0.846 0.385 CB 1.221 14 residues pruned to eliminate duplicates Z: 109 72.244 2.269 0.794 0.615 0.944 0.685 CB 1.621 109 residues pruned to eliminate duplicates Z: 108 71.925 2.283 0.851 0.608 0.916 0.607 CB 1.621 108 residues pruned to eliminate duplicates Z: 20 28.900 2.251 0.643 0.866 0.947 0.842 CA 1.385 20 residues pruned to eliminate duplicates Z: 54 49.632 2.286 0.988 0.581 0.906 0.585 CB 1.533 54 residues pruned to eliminate duplicates Z: 36 37.994 2.171 0.966 0.601 0.886 0.629 CB 1.543 36 residues pruned to eliminate duplicates Z: 34 58.841 2.296 1.226 0.803 1.000 0.667 CB 1.538 34 residues pruned to eliminate duplicates Z: 19 38.557 2.336 1.006 0.872 0.944 0.722 CA 1.496 19 residues pruned to eliminate duplicates Z: 55 52.814 2.304 0.848 0.611 0.963 0.593 CB 1.577 55 residues pruned to eliminate duplicates Z: 49 49.798 2.196 1.041 0.676 0.938 0.708 CB 1.455 49 residues pruned to eliminate duplicates Z: 20 44.038 2.264 1.129 0.921 1.000 0.789 CA 1.475 20 residues pruned to eliminate duplicates Z: 75 59.802 2.269 0.902 0.622 0.919 0.649 CB 1.563 75 residues pruned to eliminate duplicates Z: 20 48.189 2.272 1.405 0.908 1.000 0.684 CA 1.437 20 residues pruned to eliminate duplicates Z: 108 75.278 2.279 0.897 0.616 0.916 0.617 CB 1.647 108 residues pruned to eliminate duplicates Z: 20 38.102 2.245 1.049 0.927 1.000 0.632 CA 1.331 20 residues pruned to eliminate duplicates Z: 67 60.340 2.306 0.989 0.659 0.909 0.621 CB 1.537 67 residues pruned to eliminate duplicates Z: 75 65.148 2.270 0.953 0.632 0.959 0.581 CB 1.573 75 residues pruned to eliminate duplicates Z: 52 45.544 2.281 0.796 0.634 0.882 0.608 CB 1.556 52 residues pruned to eliminate duplicates Z: 65 59.834 2.289 1.029 0.637 0.938 0.531 CB 1.510 65 residues pruned to eliminate duplicates Z: 33 50.956 2.300 1.085 0.763 0.969 0.719 CA 1.535 33 residues pruned to eliminate duplicates Z: 103 69.276 2.260 0.874 0.621 0.912 0.539 CB 1.585 103 residues pruned to eliminate duplicates Z: 85 65.818 2.312 0.928 0.602 0.905 0.690 CB 1.615 86 residues pruned to eliminate duplicates Z: 6 5.300 1.642 0.627 0.469 0.800 0.400 CA 1.144 6 residues pruned to eliminate duplicates Z: 109 73.356 2.244 0.934 0.599 0.926 0.556 CB 1.598 109 residues pruned to eliminate duplicates Z: 75 59.707 2.288 0.833 0.541 0.932 0.595 CB 1.705 75 residues pruned to eliminate duplicates Z: 7 5.915 1.777 0.355 0.339 1.000 0.500 CA 1.195 7 residues pruned to eliminate duplicates Z: 75 59.163 2.248 0.885 0.622 0.932 0.500 CB 1.551 75 residues pruned to eliminate duplicates Z: 96 67.211 2.288 0.805 0.587 0.926 0.600 CB 1.658 96 residues pruned to eliminate duplicates Z: 28 30.756 2.321 0.734 0.578 0.889 0.481 CB 1.534 28 residues pruned to eliminate duplicates Z: 75 53.726 2.270 0.731 0.545 0.905 0.622 CB 1.680 75 residues pruned to eliminate duplicates Z: 76 53.507 2.255 0.782 0.520 0.893 0.640 CB 1.687 76 residues pruned to eliminate duplicates Z: 33 26.804 2.248 0.650 0.502 0.812 0.625 CB 1.569 33 residues pruned to eliminate duplicates Z: 75 50.612 2.257 0.658 0.517 0.932 0.635 CB 1.657 75 residues pruned to eliminate duplicates Z: 107 74.320 2.285 0.901 0.602 0.925 0.642 CB 1.631 107 residues pruned to eliminate duplicates Z: 108 70.911 2.266 0.851 0.595 0.925 0.654 CB 1.613 108 residues pruned to eliminate duplicates Z: 92 63.502 2.285 0.880 0.571 0.901 0.648 CB 1.606 92 residues pruned to eliminate duplicates Z: 43 34.536 2.227 0.735 0.467 0.905 0.476 CB 1.576 43 residues pruned to eliminate duplicates Z: 109 75.909 2.271 0.922 0.612 0.935 0.667 CB 1.609 108 residues pruned to eliminate duplicates Z: 13 26.945 2.399 0.706 0.744 0.917 0.417 CB 1.666 13 residues pruned to eliminate duplicates Z: 109 71.743 2.260 0.855 0.595 0.935 0.611 CB 1.608 109 residues pruned to eliminate duplicates Z: 97 68.606 2.294 0.861 0.573 0.938 0.625 CB 1.631 97 residues pruned to eliminate duplicates Z: 65 58.992 2.271 0.987 0.635 0.953 0.562 CB 1.510 65 residues pruned to eliminate duplicates Z: 65 58.233 2.259 1.018 0.648 0.938 0.641 CB 1.483 65 residues pruned to eliminate duplicates Z: 109 65.469 2.213 0.801 0.571 0.926 0.648 CB 1.594 109 residues pruned to eliminate duplicates Z: 60 41.798 2.239 0.751 0.431 0.915 0.492 CB 1.630 60 residues pruned to eliminate duplicates Z: 108 69.879 2.256 0.850 0.602 0.925 0.617 CB 1.587 108 residues pruned to eliminate duplicates Z: 75 61.833 2.271 0.987 0.618 0.919 0.622 CB 1.550 75 residues pruned to eliminate duplicates Z: 73 52.286 2.250 0.660 0.521 0.944 0.653 CB 1.711 73 residues pruned to eliminate duplicates Z: 42 39.014 2.240 0.745 0.479 0.951 0.585 CA 1.674 42 residues pruned to eliminate duplicates Z: 67 57.107 2.232 0.993 0.628 0.939 0.591 CB 1.491 67 residues pruned to eliminate duplicates Z: 88 64.000 2.273 0.895 0.580 0.931 0.586 CB 1.583 88 residues pruned to eliminate duplicates Z: 35 30.798 2.258 0.652 0.496 0.912 0.618 CB 1.559 35 residues pruned to eliminate duplicates Z: 14 15.996 2.155 0.469 0.426 0.923 0.692 CA 1.640 14 residues pruned to eliminate duplicates Z: 54 38.102 2.211 0.791 0.475 0.868 0.623 CB 1.561 54 residues pruned to eliminate duplicates Z: 13 14.716 2.131 0.525 0.434 0.917 0.500 CB 1.527 13 residues pruned to eliminate duplicates Z: 75 52.494 2.232 0.857 0.554 0.905 0.473 CB 1.543 75 residues pruned to eliminate duplicates Z: 76 48.990 2.228 0.663 0.506 0.933 0.613 CA 1.626 76 residues pruned to eliminate duplicates Z: 9 8.033 1.976 0.405 0.373 0.750 0.500 CA 1.564 9 residues pruned to eliminate duplicates Z: 109 70.600 2.239 0.896 0.589 0.926 0.583 CB 1.588 109 residues pruned to eliminate duplicates Z: 17 12.463 1.985 0.544 0.325 0.812 0.500 CB 1.516 17 residues pruned to eliminate duplicates Z: 98 62.909 2.232 0.794 0.565 0.928 0.629 CB 1.614 98 residues pruned to eliminate duplicates Z: 107 76.376 2.291 0.885 0.597 0.953 0.642 CB 1.643 107 residues pruned to eliminate duplicates Z: 107 70.323 2.274 0.832 0.599 0.925 0.689 CB 1.614 107 residues pruned to eliminate duplicates Z: 37 41.730 2.222 0.769 0.602 0.944 0.722 CA 1.701 37 residues pruned to eliminate duplicates Z: 37 37.720 2.222 0.759 0.565 0.917 0.667 CA 1.648 37 residues pruned to eliminate duplicates Z: 45 35.558 2.261 0.603 0.504 0.909 0.523 CB 1.620 45 residues pruned to eliminate duplicates Z: 64 55.135 2.232 1.038 0.586 0.952 0.635 CB 1.476 64 residues pruned to eliminate duplicates Z: 41 37.886 2.190 0.657 0.574 0.925 0.750 CA 1.662 41 residues pruned to eliminate duplicates Z: 14 14.055 2.097 0.787 0.468 0.769 0.462 CA 1.398 14 residues pruned to eliminate duplicates Z: 38 35.874 2.186 0.671 0.560 0.919 0.676 CA 1.658 38 residues pruned to eliminate duplicates Z: 77 49.229 2.245 0.663 0.503 0.908 0.579 CA 1.660 77 residues pruned to eliminate duplicates Z: 34 42.630 2.229 0.860 0.613 0.970 0.667 CB 1.658 34 residues pruned to eliminate duplicates Z: 36 40.300 2.223 0.843 0.595 0.914 0.743 CA 1.661 36 residues pruned to eliminate duplicates Z: 35 41.811 2.276 0.755 0.578 0.971 0.647 CB 1.716 35 residues pruned to eliminate duplicates Z: 34 42.182 2.245 0.798 0.594 0.970 0.697 CB 1.714 34 residues pruned to eliminate duplicates Z: 24 34.486 2.197 0.672 0.678 1.000 0.826 CB 1.662 24 residues pruned to eliminate duplicates Z: 41 37.960 2.196 0.806 0.550 0.875 0.675 CB 1.648 41 residues pruned to eliminate duplicates Z: 36 41.248 2.227 0.771 0.611 0.943 0.657 CA 1.688 36 residues pruned to eliminate duplicates Z: 77 51.876 2.192 0.762 0.515 0.934 0.632 CB 1.625 77 residues pruned to eliminate duplicates Z: 24 37.944 2.206 0.766 0.681 1.000 0.739 CA 1.719 24 residues pruned to eliminate duplicates Z: 25 34.841 2.123 0.694 0.678 1.000 0.875 CA 1.679 25 residues pruned to eliminate duplicates Z: 27 34.655 2.100 0.850 0.623 0.962 0.731 CB 1.620 27 residues pruned to eliminate duplicates Z: 37 40.220 2.235 0.775 0.586 0.917 0.667 CA 1.698 37 residues pruned to eliminate duplicates Z: 34 43.987 2.238 0.892 0.620 0.939 0.697 CB 1.718 34 residues pruned to eliminate duplicates Z: 36 45.421 2.256 0.865 0.589 0.971 0.743 CA 1.726 36 residues pruned to eliminate duplicates Z: 75 54.403 2.228 0.792 0.545 0.932 0.662 CB 1.626 75 residues pruned to eliminate duplicates Z: 37 39.328 2.225 0.878 0.584 0.861 0.694 CA 1.681 37 residues pruned to eliminate duplicates Z: 23 31.930 2.156 0.707 0.669 0.955 0.682 CA 1.657 23 residues pruned to eliminate duplicates Z: 37 39.744 2.212 0.832 0.564 0.917 0.750 CA 1.675 37 residues pruned to eliminate duplicates Z: 35 34.002 2.131 0.847 0.560 0.853 0.676 CA 1.639 35 residues pruned to eliminate duplicates Z: 24 38.768 2.209 0.743 0.690 1.000 0.783 CA 1.765 24 residues pruned to eliminate duplicates Z: 35 34.750 2.136 0.714 0.570 0.971 0.618 CB 1.567 35 residues pruned to eliminate duplicates Z: 28 32.757 2.036 0.780 0.691 0.963 0.778 CB 1.516 36 residues pruned to eliminate duplicates Z: 20 32.057 2.161 0.719 0.763 0.947 0.895 CA 1.655 20 residues pruned to eliminate duplicates Z: 40 30.183 1.987 0.695 0.688 0.872 0.641 CB 1.386 40 residues pruned to eliminate duplicates Z: 36 34.056 2.071 0.619 0.735 0.943 0.657 CB 1.475 36 residues pruned to eliminate duplicates Z: 30 38.314 2.096 0.769 0.773 1.000 0.724 CB 1.507 30 residues pruned to eliminate duplicates Z: 37 39.010 2.059 0.730 0.746 1.000 0.694 CA 1.464 36 residues pruned to eliminate duplicates Z: 16 23.062 2.028 0.743 0.886 0.933 0.600 CA 1.302 16 residues pruned to eliminate duplicates Z: 31 37.995 2.106 0.758 0.770 1.000 0.667 CB 1.475 32 residues pruned to eliminate duplicates Z: 19 28.893 1.967 0.825 0.906 1.000 0.611 CB 1.349 19 residues pruned to eliminate duplicates Z: 37 34.238 2.006 0.772 0.725 0.917 0.667 CB 1.430 37 residues pruned to eliminate duplicates Z: 40 33.336 1.981 0.712 0.693 0.949 0.615 CB 1.391 36 residues pruned to eliminate duplicates Z: 18 27.973 2.075 0.770 0.927 1.000 0.588 CA 1.294 18 residues pruned to eliminate duplicates Z: 34 36.433 2.126 0.843 0.705 0.909 0.636 CB 1.478 34 residues pruned to eliminate duplicates Z: 36 38.209 2.057 0.835 0.721 1.000 0.714 CB 1.402 36 residues pruned to eliminate duplicates Z: 38 34.544 2.019 0.832 0.708 0.892 0.622 CB 1.425 38 residues pruned to eliminate duplicates Z: 33 33.202 2.021 0.870 0.680 0.906 0.562 CB 1.452 33 residues pruned to eliminate duplicates Z: 35 34.925 2.087 0.774 0.722 0.912 0.588 CB 1.452 35 residues pruned to eliminate duplicates Z: 36 38.491 2.085 0.805 0.720 0.943 0.600 CB 1.503 36 residues pruned to eliminate duplicates Z: 36 38.596 2.080 0.835 0.731 0.971 0.571 CB 1.429 36 residues pruned to eliminate duplicates Z: 23 35.033 2.130 0.884 0.835 0.909 0.545 CB 1.534 28 residues pruned to eliminate duplicates Z: 8 9.215 1.662 0.681 0.572 1.000 0.714 N 1.163 8 residues pruned to eliminate duplicates Z: 20 20.582 2.129 0.654 0.536 0.895 0.737 CB 1.446 20 residues pruned to eliminate duplicates Z: 19 18.983 2.120 0.469 0.563 0.944 0.556 CB 1.431 19 residues pruned to eliminate duplicates Z: 34 34.939 2.036 0.808 0.713 0.970 0.576 CA 1.405 34 residues pruned to eliminate duplicates Z: 38 34.330 2.008 0.774 0.707 0.946 0.541 CB 1.388 38 residues pruned to eliminate duplicates Z: 34 37.703 2.130 0.844 0.704 0.970 0.515 CB 1.432 34 residues pruned to eliminate duplicates Z: 38 37.317 2.014 0.757 0.725 1.000 0.595 CB 1.416 34 residues pruned to eliminate duplicates Z: 6 3.020 1.436 0.321 0.390 0.800 0.600 CA 0.999 6 residues pruned to eliminate duplicates Z: 37 38.746 2.023 0.863 0.741 1.000 0.528 CB 1.380 38 residues pruned to eliminate duplicates Z: 13 26.321 2.139 1.033 0.729 1.000 0.750 CA 1.422 13 residues pruned to eliminate duplicates Z: 35 40.730 2.264 0.721 0.726 0.971 0.794 CA 1.506 35 residues pruned to eliminate duplicates Z: 34 53.692 2.308 1.072 0.774 0.970 0.758 CB 1.582 35 residues pruned to eliminate duplicates Z: 12 28.717 2.125 1.334 0.908 1.000 0.727 CA 1.240 12 residues pruned to eliminate duplicates Z: 108 67.524 2.251 0.797 0.590 0.916 0.636 CB 1.617 108 residues pruned to eliminate duplicates Z: 107 75.348 2.269 0.827 0.603 0.962 0.670 CA 1.663 106 residues pruned to eliminate duplicates Z: 12 30.510 2.150 1.419 0.813 0.818 0.818 CA 1.647 12 residues pruned to eliminate duplicates Z: 35 49.220 2.287 1.050 0.781 0.941 0.735 CB 1.493 35 residues pruned to eliminate duplicates Z: 107 74.662 2.259 0.914 0.599 0.943 0.670 CB 1.617 107 residues pruned to eliminate duplicates Z: 12 32.396 2.124 1.262 0.913 1.000 0.818 CA 1.438 12 residues pruned to eliminate duplicates Z: 35 50.498 2.285 1.003 0.792 0.941 0.735 CA 1.557 35 residues pruned to eliminate duplicates Z: 13 23.861 2.264 1.076 0.769 0.750 0.667 CA 1.540 13 residues pruned to eliminate duplicates Z: 111 72.128 2.234 0.831 0.600 0.945 0.645 CB 1.617 111 residues pruned to eliminate duplicates Z: 20 34.943 2.254 0.751 0.894 1.000 0.789 CB 1.457 20 residues pruned to eliminate duplicates Z: 33 51.827 2.317 1.125 0.801 0.969 0.594 CB 1.476 33 residues pruned to eliminate duplicates Z: 35 30.773 2.111 0.789 0.609 0.882 0.618 CA 1.428 35 residues pruned to eliminate duplicates Z: 34 53.272 2.331 1.208 0.762 0.939 0.576 CB 1.520 35 residues pruned to eliminate duplicates Z: 19 37.943 2.233 0.858 0.937 0.944 0.722 CB 1.589 19 residues pruned to eliminate duplicates Z: 80 58.695 2.288 0.884 0.535 0.924 0.532 CB 1.602 80 residues pruned to eliminate duplicates Z: 34 60.080 2.308 1.295 0.800 0.970 0.697 CB 1.566 33 residues pruned to eliminate duplicates Z: 18 52.099 2.400 1.151 0.947 1.000 0.765 CA 1.692 18 residues pruned to eliminate duplicates Z: 107 77.456 2.276 0.948 0.616 0.934 0.651 CB 1.627 107 residues pruned to eliminate duplicates Z: 107 73.847 2.241 0.969 0.629 0.915 0.585 CB 1.574 107 residues pruned to eliminate duplicates Z: 105 75.832 2.286 0.889 0.616 0.942 0.663 CB 1.638 105 residues pruned to eliminate duplicates Z: 37 43.825 2.230 0.960 0.744 0.917 0.556 CB 1.466 37 residues pruned to eliminate duplicates Z: 34 57.888 2.311 1.230 0.778 1.000 0.576 CB 1.530 34 residues pruned to eliminate duplicates Z: 68 62.689 2.322 0.906 0.643 0.940 0.687 CB 1.610 68 residues pruned to eliminate duplicates Z: 20 39.669 2.231 1.025 0.897 0.947 0.526 CB 1.522 20 residues pruned to eliminate duplicates Z: 23 35.528 2.264 1.116 0.773 0.909 0.591 CB 1.367 23 residues pruned to eliminate duplicates Z: 108 78.690 2.262 0.927 0.632 0.944 0.636 CB 1.634 108 residues pruned to eliminate duplicates Z: 134 72.114 2.179 0.780 0.599 0.932 0.602 CB 1.573 132 residues pruned to eliminate duplicates Z: 20 42.887 2.313 1.173 0.888 0.947 0.526 CB 1.489 20 residues pruned to eliminate duplicates Z: 107 78.262 2.270 0.915 0.627 0.962 0.632 CB 1.613 107 residues pruned to eliminate duplicates Z: 66 60.631 2.288 0.935 0.640 0.954 0.585 CB 1.561 66 residues pruned to eliminate duplicates Z: 33 41.095 2.246 0.912 0.515 0.969 0.531 CA 1.721 33 residues pruned to eliminate duplicates Z: 106 76.887 2.279 0.883 0.622 0.952 0.648 CB 1.637 106 residues pruned to eliminate duplicates Z: 76 53.304 2.196 0.779 0.540 0.920 0.627 CB 1.646 76 residues pruned to eliminate duplicates Z: 74 62.078 2.290 0.947 0.617 0.918 0.644 CB 1.590 74 residues pruned to eliminate duplicates Z: 107 71.849 2.265 0.806 0.605 0.943 0.660 CB 1.636 107 residues pruned to eliminate duplicates Z: 103 67.628 2.255 0.944 0.577 0.892 0.520 CB 1.590 103 residues pruned to eliminate duplicates Z: 42 36.637 2.293 0.725 0.486 0.902 0.659 CB 1.625 42 residues pruned to eliminate duplicates Z: 76 62.469 2.272 0.917 0.616 0.933 0.627 CB 1.591 76 residues pruned to eliminate duplicates Z: 98 64.983 2.245 0.804 0.587 0.938 0.670 CB 1.597 98 residues pruned to eliminate duplicates Z: 76 54.511 2.210 0.766 0.548 0.933 0.573 CB 1.649 76 residues pruned to eliminate duplicates Z: 145 78.963 2.192 0.839 0.599 0.938 0.597 CB 1.584 145 residues pruned to eliminate duplicates Z: 73 57.579 2.251 0.857 0.546 0.944 0.639 CB 1.643 73 residues pruned to eliminate duplicates Z: 111 70.940 2.220 0.906 0.594 0.918 0.618 CB 1.592 111 residues pruned to eliminate duplicates Z: 106 75.198 2.235 0.983 0.615 0.905 0.571 CB 1.641 106 residues pruned to eliminate duplicates Z: 95 68.679 2.264 0.916 0.588 0.936 0.564 CB 1.603 95 residues pruned to eliminate duplicates Z: 75 56.777 2.203 0.833 0.538 0.959 0.595 CA 1.641 75 residues pruned to eliminate duplicates Z: 105 76.551 2.291 0.923 0.613 0.942 0.644 CB 1.624 105 residues pruned to eliminate duplicates Z: 28 30.660 2.253 0.702 0.498 0.926 0.593 CB 1.665 28 residues pruned to eliminate duplicates Z: 108 77.075 2.258 0.910 0.626 0.953 0.626 CB 1.608 108 residues pruned to eliminate duplicates Z: 31 39.503 2.340 0.831 0.507 0.967 0.533 CB 1.729 31 residues pruned to eliminate duplicates Z: 109 69.854 2.244 0.849 0.586 0.926 0.667 CB 1.611 109 residues pruned to eliminate duplicates Z: 30 27.365 2.228 0.629 0.469 0.966 0.517 CB 1.496 30 residues pruned to eliminate duplicates Z: 74 52.392 2.221 0.748 0.529 0.932 0.644 CB 1.648 74 residues pruned to eliminate duplicates Z: 108 76.464 2.259 0.906 0.619 0.944 0.682 CB 1.625 108 residues pruned to eliminate duplicates Z: 105 70.803 2.233 0.899 0.589 0.952 0.587 CB 1.580 105 residues pruned to eliminate duplicates Z: 77 49.412 2.183 0.736 0.517 0.908 0.632 CA 1.619 77 residues pruned to eliminate duplicates Z: 75 54.059 2.219 0.826 0.544 0.919 0.649 CA 1.616 75 residues pruned to eliminate duplicates Z: 74 48.932 2.219 0.710 0.496 0.904 0.616 CA 1.676 74 residues pruned to eliminate duplicates Z: 88 63.832 2.273 0.925 0.592 0.897 0.598 CB 1.597 88 residues pruned to eliminate duplicates Z: 51 38.990 2.148 0.862 0.524 0.860 0.620 CB 1.566 51 residues pruned to eliminate duplicates Z: 109 77.946 2.248 0.972 0.621 0.935 0.611 CB 1.614 109 residues pruned to eliminate duplicates Z: 48 40.821 2.177 0.787 0.540 0.915 0.617 CA 1.609 48 residues pruned to eliminate duplicates Z: 52 35.256 2.130 0.773 0.486 0.863 0.569 CB 1.536 52 residues pruned to eliminate duplicates Z: 108 73.610 2.241 0.906 0.614 0.935 0.570 CB 1.599 108 residues pruned to eliminate duplicates Z: 109 58.041 2.121 0.843 0.531 0.898 0.611 CA 1.543 109 residues pruned to eliminate duplicates Z: 50 39.227 2.100 0.826 0.521 0.939 0.633 CB 1.524 50 residues pruned to eliminate duplicates Z: 46 41.299 2.161 0.795 0.549 0.956 0.622 CA 1.584 46 residues pruned to eliminate duplicates Z: 47 43.803 2.172 0.891 0.539 0.957 0.565 CA 1.582 47 residues pruned to eliminate duplicates Z: 90 66.234 2.274 0.976 0.580 0.910 0.607 CB 1.590 90 residues pruned to eliminate duplicates Z: 76 52.857 2.189 0.859 0.545 0.893 0.640 CB 1.607 76 residues pruned to eliminate duplicates Z: 108 73.003 2.252 0.853 0.624 0.944 0.738 CB 1.594 108 residues pruned to eliminate duplicates Z: 84 51.577 2.089 0.759 0.569 0.952 0.639 CB 1.515 84 residues pruned to eliminate duplicates Z: 40 37.206 2.140 0.867 0.489 0.949 0.462 CA 1.589 40 residues pruned to eliminate duplicates Z: 107 74.902 2.260 0.903 0.618 0.943 0.660 CB 1.604 107 residues pruned to eliminate duplicates Z: 47 40.847 2.161 0.824 0.556 0.913 0.652 CB 1.584 47 residues pruned to eliminate duplicates Z: 45 39.504 2.167 0.914 0.528 0.864 0.477 CA 1.617 45 residues pruned to eliminate duplicates Z: 36 32.267 2.037 0.819 0.579 0.943 0.686 CA 1.448 36 residues pruned to eliminate duplicates Z: 94 66.764 2.265 0.859 0.591 0.935 0.613 CB 1.611 94 residues pruned to eliminate duplicates Z: 49 41.364 2.125 0.864 0.523 0.938 0.625 CA 1.572 49 residues pruned to eliminate duplicates Z: 42 37.846 2.090 0.838 0.582 0.902 0.488 CA 1.575 42 residues pruned to eliminate duplicates Z: 50 43.211 2.175 0.819 0.558 0.918 0.612 CB 1.606 50 residues pruned to eliminate duplicates Z: 36 41.609 2.124 0.953 0.608 0.971 0.600 CA 1.576 36 residues pruned to eliminate duplicates Z: 36 36.315 2.137 0.795 0.571 0.943 0.600 CA 1.585 36 residues pruned to eliminate duplicates Z: 37 41.256 2.140 1.095 0.619 0.889 0.556 CA 1.542 37 residues pruned to eliminate duplicates Z: 25 30.395 2.040 0.807 0.634 1.000 0.625 CA 1.484 25 residues pruned to eliminate duplicates Z: 48 43.116 2.137 0.912 0.531 0.957 0.596 CA 1.559 48 residues pruned to eliminate duplicates Z: 53 44.422 2.149 0.881 0.543 0.923 0.635 CA 1.582 53 residues pruned to eliminate duplicates Z: 107 78.935 2.267 0.907 0.613 0.972 0.698 CB 1.639 107 residues pruned to eliminate duplicates Z: 15 14.615 1.824 0.659 0.751 0.929 0.500 CA 1.111 15 residues pruned to eliminate duplicates Z: 21 34.325 2.106 0.980 0.708 0.950 0.650 CA 1.604 21 residues pruned to eliminate duplicates Z: 19 28.356 2.010 0.868 0.780 0.944 0.667 CA 1.472 19 residues pruned to eliminate duplicates Z: 73 52.421 2.199 0.841 0.495 0.944 0.597 CB 1.624 73 residues pruned to eliminate duplicates Z: 37 41.568 2.138 0.928 0.587 0.972 0.639 CA 1.590 37 residues pruned to eliminate duplicates Z: 71 52.837 2.226 0.921 0.487 0.914 0.600 CB 1.636 71 residues pruned to eliminate duplicates Z: 44 42.868 2.151 0.891 0.531 0.977 0.651 CB 1.596 44 residues pruned to eliminate duplicates Z: 34 40.604 2.128 0.973 0.632 0.939 0.545 CA 1.583 34 residues pruned to eliminate duplicates Z: 24 33.321 2.085 0.913 0.712 1.000 0.739 CA 1.437 24 residues pruned to eliminate duplicates Z: 18 32.194 2.083 0.799 0.830 1.000 0.824 CA 1.566 18 residues pruned to eliminate duplicates Z: 60 37.736 2.008 0.590 0.630 0.949 0.661 CB 1.434 60 residues pruned to eliminate duplicates Z: 24 29.948 1.997 0.899 0.660 0.957 0.478 CB 1.485 24 residues pruned to eliminate duplicates Z: 27 26.753 1.928 0.794 0.613 0.962 0.731 CA 1.417 27 residues pruned to eliminate duplicates Z: 50 35.556 2.085 0.745 0.499 0.939 0.612 CA 1.488 50 residues pruned to eliminate duplicates Z: 112 60.256 2.135 0.762 0.544 0.937 0.622 CB 1.554 118 residues pruned to eliminate duplicates Z: 18 16.338 1.967 0.349 0.827 0.882 0.765 CA 1.276 18 residues pruned to eliminate duplicates Z: 35 29.206 2.077 0.488 0.631 0.971 0.647 CB 1.476 35 residues pruned to eliminate duplicates Z: 37 30.447 2.033 0.505 0.669 0.972 0.528 CB 1.459 37 residues pruned to eliminate duplicates Z: 42 27.443 1.892 0.513 0.641 0.951 0.585 CA 1.380 42 residues pruned to eliminate duplicates Z: 36 32.080 2.066 0.554 0.713 0.943 0.629 CB 1.476 36 residues pruned to eliminate duplicates Z: 36 33.068 2.069 0.549 0.729 0.943 0.714 CB 1.506 36 residues pruned to eliminate duplicates Z: 36 35.136 2.068 0.558 0.730 1.000 0.571 CB 1.499 37 residues pruned to eliminate duplicates Z: 19 22.060 2.001 0.525 0.890 0.944 0.556 CA 1.298 19 residues pruned to eliminate duplicates Z: 37 33.412 2.035 0.555 0.690 1.000 0.694 CB 1.478 37 residues pruned to eliminate duplicates Z: 38 32.778 2.004 0.559 0.691 1.000 0.676 CB 1.448 38 residues pruned to eliminate duplicates Z: 36 36.264 2.074 0.687 0.728 0.971 0.686 CB 1.469 36 residues pruned to eliminate duplicates Z: 36 34.654 2.084 0.569 0.725 0.971 0.686 CB 1.505 36 residues pruned to eliminate duplicates Z: 38 33.652 2.025 0.621 0.695 0.973 0.703 CB 1.449 38 residues pruned to eliminate duplicates Z: 36 33.270 2.073 0.527 0.710 1.000 0.543 CB 1.469 36 residues pruned to eliminate duplicates Z: 36 33.108 2.070 0.577 0.734 0.943 0.743 CB 1.473 36 residues pruned to eliminate duplicates Z: 36 32.831 2.074 0.524 0.714 0.971 0.629 CB 1.489 36 residues pruned to eliminate duplicates Z: 37 31.025 2.051 0.504 0.693 0.972 0.694 CB 1.446 37 residues pruned to eliminate duplicates Z: 37 34.923 2.055 0.568 0.731 1.000 0.722 CB 1.468 37 residues pruned to eliminate duplicates Z: 6 11.674 1.773 0.872 0.854 0.800 0.200 CB 1.452 6 residues pruned to eliminate duplicates Z: 35 36.513 2.096 0.620 0.739 1.000 0.765 CB 1.488 35 residues pruned to eliminate duplicates Z: 36 30.734 2.059 0.524 0.717 0.943 0.686 CB 1.443 36 residues pruned to eliminate duplicates Z: 36 35.842 2.073 0.655 0.709 0.971 0.714 CB 1.504 36 residues pruned to eliminate duplicates Z: 36 35.496 2.080 0.661 0.740 0.943 0.686 CB 1.485 36 residues pruned to eliminate duplicates Z: 6 4.810 1.595 0.401 0.349 0.800 0.600 CA 1.416 5 residues pruned to eliminate duplicates 289 residues left after pruning, divided into chains as follows: A: 108 B: 35 C: 146 CC for partial structure against native data = 50.46 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.521, Connect. = 0.710 for dens.mod. cycle 1 = 0.300, Contrast = 0.601, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.711, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.722, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.733, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.736, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.740, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.742, Connect. = 0.772 for dens.mod. cycle 8 = 0.300, Contrast = 0.743, Connect. = 0.773 for dens.mod. cycle 9 = 0.300, Contrast = 0.743, Connect. = 0.773 for dens.mod. cycle 10 TimeTaking 161.67