++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:32:32 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: ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.ins Phases from ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.phi Native data from ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.hkl Listing output to ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.lst Phases output to ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.phs Poly-Ala trace output to ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.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: C 1 2 1 Allowed origin shift code: 3 97604 Reflections read from file ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.phi 97604 Reflections read from file ./2a3n-1.2-parrot-hancs/2a3n-1.2-parrot-hancs.hkl 97604 Unique data, highest resolution = 1.230 Angstroms Anisotropic scaling: intensities multiplied by 0.000174h^2 -0.000063k^2 -0.000251l^2 +0.000000kl -0.000249hl +0.000000hk 9 Reflections with d > 1.430 and 0 in range 1.430 > d > 1.230 added Density sharpening factor set to 1.90 Fourier grid = 256 x 256 x 61 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 56 Extra Fourier layers will be generated <|E^2-1|> = 0.686 = 0.300, Contrast = 0.484, Connect. = 0.809 for dens.mod. cycle 1 = 0.300, Contrast = 0.545, Connect. = 0.818 for dens.mod. cycle 2 = 0.300, Contrast = 0.611, Connect. = 0.836 for dens.mod. cycle 3 = 0.300, Contrast = 0.628, Connect. = 0.839 for dens.mod. cycle 4 = 0.300, Contrast = 0.639, Connect. = 0.841 for dens.mod. cycle 5 = 0.300, Contrast = 0.646, Connect. = 0.842 for dens.mod. cycle 6 = 0.300, Contrast = 0.652, Connect. = 0.842 for dens.mod. cycle 7 = 0.300, Contrast = 0.656, Connect. = 0.842 for dens.mod. cycle 8 = 0.300, Contrast = 0.660, Connect. = 0.842 for dens.mod. cycle 9 = 0.300, Contrast = 0.663, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2325 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 417 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 80.287 2.799 0.991 0.933 1.000 0.895 C 2.306 B: 10 25.788 2.220 0.558 0.875 1.000 0.778 CB 1.808 C: 13 26.759 2.175 1.075 0.824 0.750 0.750 CA 1.724 13 residues pruned to eliminate duplicates D: 22 77.227 2.601 1.173 0.933 1.000 0.952 C 2.081 21 residues pruned to eliminate duplicates E: 23 65.788 2.505 1.018 0.903 0.955 0.818 C 2.071 23 residues pruned to eliminate duplicates F: 18 37.310 2.349 0.695 0.850 0.882 0.706 C 1.907 G: 31 64.908 2.357 0.803 0.925 1.000 0.933 C 1.956 H: 21 70.547 2.670 0.896 0.937 1.000 0.850 C 2.169 20 residues pruned to eliminate duplicates I: 29 76.018 2.494 0.910 0.949 1.000 0.893 CB 2.081 30 residues pruned to eliminate duplicates J: 21 79.494 2.668 1.180 0.880 1.000 0.700 C 2.216 22 residues pruned to eliminate duplicates K: 19 43.641 2.329 0.832 0.872 0.944 0.611 CB 1.860 18 residues pruned to eliminate duplicates L: 23 50.664 2.422 0.818 0.834 0.955 0.727 CB 1.927 M: 21 74.516 2.660 1.030 0.933 1.000 0.800 C 2.153 21 residues pruned to eliminate duplicates N: 14 47.237 2.560 0.638 0.908 1.000 0.846 CB 2.219 14 residues pruned to eliminate duplicates O: 22 72.697 2.545 1.086 0.929 1.000 0.905 C 2.091 22 residues pruned to eliminate duplicates P: 22 61.282 2.544 0.767 0.917 1.000 0.810 C 2.099 22 residues pruned to eliminate duplicates Q: 20 75.966 2.707 1.185 0.919 0.947 0.737 C 2.192 20 residues pruned to eliminate duplicates R: 10 27.346 2.308 0.575 0.895 1.000 0.778 CB 1.797 10 residues pruned to eliminate duplicates S: 22 75.235 2.571 1.088 0.924 1.000 0.857 C 2.147 22 residues pruned to eliminate duplicates T: 22 72.601 2.595 1.041 0.920 1.000 0.762 C 2.106 22 residues pruned to eliminate duplicates U: 31 66.878 2.348 0.840 0.943 1.000 0.933 C 1.958 31 residues pruned to eliminate duplicates V: 21 74.240 2.577 1.114 0.919 1.000 0.850 C 2.148 21 residues pruned to eliminate duplicates W: 31 64.203 2.370 0.744 0.932 1.000 0.933 CB 1.981 31 residues pruned to eliminate duplicates X: 17 50.567 2.495 0.953 0.884 0.938 0.750 C 2.000 17 residues pruned to eliminate duplicates Y: 21 79.428 2.699 1.091 0.938 1.000 0.850 CB 2.189 21 residues pruned to eliminate duplicates Z: 10 27.159 2.214 0.776 0.911 0.889 0.778 CB 1.836 10 residues pruned to eliminate duplicates Z: 22 64.964 2.538 0.841 0.923 1.000 0.905 C 2.133 22 residues pruned to eliminate duplicates Z: 30 78.656 2.405 1.095 0.942 1.000 0.793 C 2.010 30 residues pruned to eliminate duplicates Z: 19 42.058 2.408 0.706 0.862 0.889 0.667 CB 1.993 19 residues pruned to eliminate duplicates Z: 39 68.696 2.439 0.751 0.846 0.947 0.816 C 2.046 Z: 20 80.111 2.829 0.962 0.935 1.000 0.895 C 2.307 20 residues pruned to eliminate duplicates Z: 14 36.857 2.299 1.041 0.880 1.000 0.769 CB 1.578 Z: 14 35.753 2.271 0.680 0.881 1.000 0.923 CB 1.882 Z: 30 60.449 2.432 0.553 0.943 1.000 0.931 CB 2.061 30 residues pruned to eliminate duplicates Z: 21 63.861 2.644 0.743 0.920 1.000 0.900 C 2.183 21 residues pruned to eliminate duplicates Z: 16 39.554 2.446 0.525 0.910 1.000 0.733 CB 1.942 Z: 17 36.466 2.403 0.500 0.904 1.000 0.875 CB 1.802 16 residues pruned to eliminate duplicates Z: 20 92.618 2.838 1.262 0.936 1.000 0.895 C 2.305 20 residues pruned to eliminate duplicates Z: 35 72.410 2.447 0.812 0.918 0.971 0.853 C 2.035 37 residues pruned to eliminate duplicates Z: 18 37.926 2.396 0.640 0.834 0.941 0.824 CB 1.865 18 residues pruned to eliminate duplicates Z: 29 49.292 2.329 0.647 0.888 1.000 0.893 CB 1.749 22 residues pruned to eliminate duplicates Z: 9 21.490 2.291 0.494 0.838 1.000 0.750 C 1.659 Z: 30 68.015 2.493 0.960 0.876 0.931 0.724 CB 2.018 30 residues pruned to eliminate duplicates Z: 19 35.945 2.277 0.542 0.878 1.000 0.778 CB 1.751 18 residues pruned to eliminate duplicates Z: 29 57.176 2.429 0.779 0.894 0.929 0.750 CB 1.931 29 residues pruned to eliminate duplicates Z: 30 74.834 2.404 0.963 0.954 1.000 0.897 C 2.026 30 residues pruned to eliminate duplicates Z: 7 18.925 2.536 0.194 0.821 1.000 0.667 CA 1.932 8 residues pruned to eliminate duplicates Z: 18 51.507 2.421 0.952 0.887 1.000 0.706 C 1.905 19 residues pruned to eliminate duplicates Z: 17 34.405 2.385 0.472 0.905 1.000 0.875 CB 1.745 17 residues pruned to eliminate duplicates Z: 10 23.797 2.234 0.620 0.897 0.889 0.778 CB 1.764 10 residues pruned to eliminate duplicates Z: 30 57.618 2.370 0.750 0.888 1.000 0.724 CB 1.858 30 residues pruned to eliminate duplicates Z: 10 27.806 2.148 1.017 0.852 0.889 0.778 C 1.781 10 residues pruned to eliminate duplicates Z: 18 36.155 2.350 0.638 0.860 0.941 0.824 CB 1.780 18 residues pruned to eliminate duplicates Z: 17 45.224 2.453 0.703 0.858 1.000 0.750 CB 1.993 17 residues pruned to eliminate duplicates Z: 8 12.869 2.087 0.479 0.848 0.714 0.429 CB 1.637 Z: 37 66.447 2.404 0.757 0.911 0.944 0.750 CB 1.967 37 residues pruned to eliminate duplicates Z: 19 41.808 2.231 0.837 0.909 1.000 0.833 CB 1.706 18 residues pruned to eliminate duplicates Z: 29 55.661 2.428 0.814 0.888 0.893 0.714 CB 1.927 29 residues pruned to eliminate duplicates Z: 38 75.714 2.490 0.807 0.856 1.000 0.730 CB 2.040 35 residues pruned to eliminate duplicates Z: 12 29.428 2.458 0.380 0.927 0.909 0.818 CB 2.016 12 residues pruned to eliminate duplicates Z: 13 39.781 2.568 0.540 0.811 1.000 1.000 C 2.214 13 residues pruned to eliminate duplicates Z: 30 77.847 2.404 1.060 0.952 1.000 0.966 CB 2.010 30 residues pruned to eliminate duplicates Z: 31 72.736 2.349 1.098 0.923 0.967 0.867 C 1.959 31 residues pruned to eliminate duplicates Z: 14 27.695 2.124 0.952 0.831 0.846 0.846 CB 1.645 13 residues pruned to eliminate duplicates Z: 34 42.867 2.248 1.093 0.530 0.939 0.758 CB 1.639 10 residues pruned to eliminate duplicates Z: 8 16.204 2.361 0.290 0.829 0.857 0.857 CA 1.765 8 residues pruned to eliminate duplicates Z: 10 29.143 2.230 0.911 0.875 0.889 0.889 C 1.865 10 residues pruned to eliminate duplicates Z: 15 45.264 2.433 1.184 0.830 1.000 0.786 CB 1.711 14 residues pruned to eliminate duplicates Z: 19 48.790 2.496 0.791 0.845 1.000 0.667 CB 1.912 19 residues pruned to eliminate duplicates Z: 30 65.244 2.419 0.767 0.925 1.000 0.897 CB 1.989 30 residues pruned to eliminate duplicates Z: 26 39.521 2.208 1.044 0.619 0.920 0.600 CB 1.701 14 residues pruned to eliminate duplicates Z: 37 71.585 2.534 0.614 0.892 1.000 0.833 C 2.096 37 residues pruned to eliminate duplicates Z: 36 66.131 2.389 0.675 0.899 1.000 0.800 C 1.997 36 residues pruned to eliminate duplicates Z: 20 38.829 2.392 0.792 0.843 0.947 0.684 CB 1.633 20 residues pruned to eliminate duplicates Z: 34 75.896 2.517 0.836 0.923 0.970 0.818 C 2.071 37 residues pruned to eliminate duplicates Z: 29 59.423 2.452 0.750 0.908 1.000 0.929 CB 1.859 29 residues pruned to eliminate duplicates Z: 19 57.334 2.514 0.991 0.864 1.000 0.667 CB 1.979 19 residues pruned to eliminate duplicates Z: 38 76.840 2.455 0.833 0.882 1.000 0.838 C 2.030 38 residues pruned to eliminate duplicates Z: 35 75.327 2.558 0.737 0.908 0.971 0.853 C 2.127 35 residues pruned to eliminate duplicates Z: 21 90.138 2.676 1.385 0.920 1.000 0.750 C 2.224 21 residues pruned to eliminate duplicates Z: 46 46.011 2.134 1.100 0.524 0.933 0.644 CB 1.601 44 residues pruned to eliminate duplicates Z: 19 41.573 2.329 0.679 0.840 1.000 0.833 CB 1.870 19 residues pruned to eliminate duplicates Z: 20 89.669 2.798 1.242 0.934 1.000 0.737 C 2.287 20 residues pruned to eliminate duplicates Z: 21 83.065 2.706 1.134 0.928 1.000 0.900 C 2.252 21 residues pruned to eliminate duplicates Z: 29 56.740 2.423 0.812 0.898 0.964 0.714 CB 1.812 29 residues pruned to eliminate duplicates Z: 30 79.560 2.431 1.126 0.938 1.000 0.966 C 1.988 30 residues pruned to eliminate duplicates Z: 35 73.383 2.524 0.694 0.894 1.000 0.853 C 2.112 35 residues pruned to eliminate duplicates Z: 12 38.784 2.392 1.119 0.794 1.000 0.818 CB 1.783 12 residues pruned to eliminate duplicates Z: 14 47.139 2.301 1.042 0.907 1.000 0.846 C 1.977 14 residues pruned to eliminate duplicates Z: 15 41.496 2.257 0.885 0.903 1.000 0.929 CB 1.858 15 residues pruned to eliminate duplicates Z: 28 69.484 2.517 0.875 0.905 1.000 0.741 CB 2.017 30 residues pruned to eliminate duplicates Z: 21 43.193 2.370 0.720 0.862 1.000 0.650 CB 1.739 21 residues pruned to eliminate duplicates Z: 22 64.467 2.526 0.890 0.922 1.000 0.905 C 2.073 22 residues pruned to eliminate duplicates Z: 35 84.473 2.473 0.961 0.914 1.000 0.794 C 2.113 38 residues pruned to eliminate duplicates Z: 33 76.801 2.546 0.762 0.932 1.000 0.875 C 2.114 33 residues pruned to eliminate duplicates Z: 31 60.162 2.353 0.651 0.924 1.000 0.900 CB 1.986 31 residues pruned to eliminate duplicates Z: 38 73.345 2.474 0.727 0.878 1.000 0.838 C 2.048 38 residues pruned to eliminate duplicates Z: 30 68.544 2.433 0.787 0.942 1.000 0.897 C 2.030 30 residues pruned to eliminate duplicates Z: 36 75.681 2.473 0.867 0.900 0.971 0.771 C 2.038 36 residues pruned to eliminate duplicates Z: 15 38.447 2.419 0.970 0.895 0.929 0.571 CB 1.664 14 residues pruned to eliminate duplicates Z: 38 75.853 2.456 0.862 0.861 0.973 0.838 C 2.059 38 residues pruned to eliminate duplicates Z: 14 34.092 2.443 0.804 0.823 0.846 0.769 CB 1.918 14 residues pruned to eliminate duplicates Z: 17 33.897 2.353 0.478 0.916 1.000 0.812 CB 1.721 17 residues pruned to eliminate duplicates Z: 31 56.300 2.343 0.594 0.927 0.967 0.933 CB 1.994 31 residues pruned to eliminate duplicates Z: 17 47.819 2.519 0.790 0.879 0.938 0.812 CB 2.051 17 residues pruned to eliminate duplicates Z: 28 56.746 2.463 0.848 0.891 0.889 0.741 CB 1.941 28 residues pruned to eliminate duplicates Z: 15 40.073 2.257 0.802 0.910 1.000 1.000 CB 1.868 15 residues pruned to eliminate duplicates Z: 8 15.933 2.321 0.463 0.831 0.857 0.714 CA 1.554 8 residues pruned to eliminate duplicates Z: 27 55.547 2.412 0.670 0.896 1.000 0.808 CB 1.938 27 residues pruned to eliminate duplicates Z: 17 47.841 2.426 0.724 0.918 1.000 0.938 C 2.018 17 residues pruned to eliminate duplicates Z: 30 80.081 2.444 1.053 0.946 1.000 0.966 C 2.050 30 residues pruned to eliminate duplicates Z: 37 72.149 2.474 0.736 0.876 1.000 0.889 C 2.035 37 residues pruned to eliminate duplicates Z: 50 68.115 2.438 0.704 0.732 0.980 0.714 CB 1.942 38 residues pruned to eliminate duplicates Z: 13 31.233 2.271 0.599 0.927 1.000 0.750 CB 1.739 13 residues pruned to eliminate duplicates Z: 14 43.998 2.383 0.904 0.934 1.000 1.000 CB 1.875 14 residues pruned to eliminate duplicates Z: 72 112.834 2.522 1.036 0.776 0.986 0.648 CB 2.073 68 residues pruned to eliminate duplicates Z: 18 34.623 2.387 0.430 0.855 1.000 0.647 CB 1.815 18 residues pruned to eliminate duplicates Z: 7 20.225 2.315 0.524 0.868 1.000 0.500 CB 1.711 7 residues pruned to eliminate duplicates Z: 17 48.510 2.470 0.788 0.874 1.000 0.750 CB 1.999 17 residues pruned to eliminate duplicates Z: 14 31.695 2.239 0.996 0.805 0.846 0.462 C 1.781 14 residues pruned to eliminate duplicates Z: 10 31.550 2.267 0.849 0.896 1.000 0.889 CB 1.797 10 residues pruned to eliminate duplicates Z: 31 67.445 2.347 0.844 0.938 1.000 0.967 C 1.979 31 residues pruned to eliminate duplicates Z: 30 79.659 2.440 1.091 0.940 1.000 0.931 C 2.013 30 residues pruned to eliminate duplicates Z: 14 48.539 2.532 1.094 0.844 1.000 0.692 CB 1.890 16 residues pruned to eliminate duplicates Z: 31 55.001 2.369 0.580 0.916 0.967 0.900 CB 1.960 31 residues pruned to eliminate duplicates Z: 18 27.142 2.123 1.143 0.507 0.941 0.647 CB 1.526 18 residues pruned to eliminate duplicates Z: 21 73.913 2.598 1.248 0.915 0.950 0.800 C 2.106 21 residues pruned to eliminate duplicates Z: 30 64.104 2.405 0.679 0.952 1.000 0.966 C 2.030 30 residues pruned to eliminate duplicates Z: 19 45.317 2.459 0.732 0.842 1.000 0.722 CB 1.868 19 residues pruned to eliminate duplicates Z: 54 40.963 2.139 0.863 0.529 0.887 0.604 CB 1.548 45 residues pruned to eliminate duplicates Z: 13 43.168 2.424 1.178 0.853 0.917 0.750 CB 1.903 13 residues pruned to eliminate duplicates Z: 21 91.665 2.585 1.511 0.953 1.000 0.500 C 2.172 21 residues pruned to eliminate duplicates Z: 38 69.530 2.464 0.723 0.873 0.946 0.838 CB 2.073 38 residues pruned to eliminate duplicates Z: 7 11.494 1.928 0.230 0.841 1.000 0.667 CA 1.476 Z: 31 62.087 2.297 0.862 0.930 0.967 0.867 CB 1.918 31 residues pruned to eliminate duplicates Z: 18 51.505 2.458 0.828 0.882 1.000 0.824 CB 2.010 18 residues pruned to eliminate duplicates Z: 21 76.292 2.517 1.332 0.934 1.000 0.850 C 2.027 21 residues pruned to eliminate duplicates Z: 38 62.942 2.472 0.609 0.865 0.946 0.730 CB 2.014 38 residues pruned to eliminate duplicates Z: 17 32.938 2.234 0.832 0.649 1.000 0.812 CB 1.750 8 residues pruned to eliminate duplicates Z: 30 59.804 2.370 0.804 0.914 1.000 0.759 CB 1.837 30 residues pruned to eliminate duplicates Z: 16 41.933 2.366 0.786 0.909 1.000 0.800 CB 1.818 19 residues pruned to eliminate duplicates Z: 36 73.079 2.449 0.796 0.914 0.971 0.914 CB 2.044 36 residues pruned to eliminate duplicates Z: 36 68.384 2.516 0.661 0.884 0.971 0.886 CB 2.057 36 residues pruned to eliminate duplicates Z: 29 60.137 2.469 0.564 0.939 1.000 0.929 CB 2.046 29 residues pruned to eliminate duplicates Z: 37 78.490 2.531 0.775 0.898 1.000 0.917 CB 2.082 37 residues pruned to eliminate duplicates Z: 28 70.918 2.518 0.962 0.890 0.963 0.852 CB 2.065 29 residues pruned to eliminate duplicates Z: 15 34.858 2.179 0.854 0.873 0.929 0.857 CB 1.809 15 residues pruned to eliminate duplicates Z: 34 85.689 2.528 1.044 0.919 0.970 0.818 C 2.098 34 residues pruned to eliminate duplicates Z: 26 41.782 2.240 1.200 0.621 0.880 0.560 CB 1.719 26 residues pruned to eliminate duplicates Z: 13 35.340 2.365 0.547 0.936 1.000 1.000 CB 1.942 13 residues pruned to eliminate duplicates Z: 39 70.116 2.409 0.883 0.875 0.921 0.816 C 1.980 39 residues pruned to eliminate duplicates Z: 17 35.495 2.355 0.424 0.898 1.000 0.812 CB 1.892 15 residues pruned to eliminate duplicates Z: 34 75.347 2.554 0.845 0.913 0.939 0.848 C 2.097 34 residues pruned to eliminate duplicates Z: 78 64.054 2.283 1.042 0.510 0.935 0.636 CB 1.658 71 residues pruned to eliminate duplicates Z: 36 72.266 2.534 0.715 0.882 0.971 0.857 C 2.094 36 residues pruned to eliminate duplicates Z: 69 79.154 2.460 1.000 0.634 0.882 0.647 CB 1.950 57 residues pruned to eliminate duplicates Z: 66 63.661 2.305 0.859 0.578 0.938 0.646 CB 1.821 66 residues pruned to eliminate duplicates Z: 35 65.810 2.469 0.754 0.912 0.941 0.912 C 1.961 35 residues pruned to eliminate duplicates Z: 18 39.321 2.259 0.689 0.897 1.000 0.824 CB 1.788 18 residues pruned to eliminate duplicates Z: 36 63.871 2.507 0.607 0.879 0.943 0.771 C 2.062 36 residues pruned to eliminate duplicates Z: 31 64.275 2.309 0.917 0.924 0.967 0.933 CB 1.925 31 residues pruned to eliminate duplicates Z: 52 53.772 2.308 1.003 0.571 0.902 0.686 CB 1.685 52 residues pruned to eliminate duplicates Z: 48 74.569 2.496 0.770 0.776 0.979 0.787 CB 1.973 48 residues pruned to eliminate duplicates Z: 36 73.093 2.466 0.889 0.896 0.943 0.771 CB 2.015 36 residues pruned to eliminate duplicates Z: 33 41.769 2.353 0.808 0.643 0.906 0.656 CB 1.675 30 residues pruned to eliminate duplicates Z: 9 15.671 1.893 0.595 0.884 0.875 0.750 CA 1.514 9 residues pruned to eliminate duplicates Z: 17 41.784 2.214 1.247 0.888 0.875 0.688 C 1.729 17 residues pruned to eliminate duplicates Z: 39 53.779 2.344 0.985 0.621 0.895 0.632 CB 1.869 39 residues pruned to eliminate duplicates Z: 9 17.792 2.127 0.618 0.871 0.875 0.625 CA 1.523 8 residues pruned to eliminate duplicates Z: 43 44.197 2.451 0.865 0.508 0.810 0.548 CB 1.829 34 residues pruned to eliminate duplicates Z: 13 28.718 2.231 0.624 0.895 0.917 0.750 CB 1.790 13 residues pruned to eliminate duplicates Z: 37 74.813 2.510 0.721 0.876 1.000 0.889 C 2.097 37 residues pruned to eliminate duplicates Z: 42 42.495 2.258 0.957 0.519 0.927 0.659 CB 1.590 42 residues pruned to eliminate duplicates Z: 31 60.844 2.339 0.750 0.925 0.967 0.867 CB 1.970 31 residues pruned to eliminate duplicates Z: 8 12.771 2.089 0.352 0.859 0.857 0.857 CB 1.468 8 residues pruned to eliminate duplicates Z: 31 65.729 2.342 0.888 0.926 0.967 0.933 CB 1.969 30 residues pruned to eliminate duplicates Z: 36 72.288 2.447 0.829 0.892 0.971 0.829 CB 2.019 36 residues pruned to eliminate duplicates Z: 29 73.976 2.451 0.969 0.953 0.964 0.857 CB 2.067 29 residues pruned to eliminate duplicates Z: 47 42.851 2.103 0.934 0.528 0.978 0.587 CB 1.545 47 residues pruned to eliminate duplicates Z: 11 15.403 2.056 0.632 0.508 0.900 0.700 CB 1.601 11 residues pruned to eliminate duplicates Z: 6 3.998 1.766 -0.204 0.682 0.800 0.800 CA 1.346 6 residues pruned to eliminate duplicates Z: 13 38.974 2.354 0.915 0.900 1.000 0.667 CB 1.783 13 residues pruned to eliminate duplicates Z: 9 16.713 2.017 0.391 0.886 1.000 0.750 CA 1.519 9 residues pruned to eliminate duplicates Z: 16 39.341 2.293 1.167 0.855 0.800 0.733 CB 1.885 16 residues pruned to eliminate duplicates Z: 24 35.969 2.203 1.063 0.489 0.957 0.739 CB 1.745 24 residues pruned to eliminate duplicates Z: 35 41.292 2.302 0.814 0.581 0.941 0.618 CB 1.668 35 residues pruned to eliminate duplicates Z: 16 32.416 2.300 0.403 0.904 1.000 0.733 CB 1.847 16 residues pruned to eliminate duplicates Z: 8 26.053 2.249 1.418 0.608 1.000 0.714 C 1.635 8 residues pruned to eliminate duplicates Z: 26 49.556 2.438 0.638 0.922 0.920 0.840 C 1.898 26 residues pruned to eliminate duplicates Z: 9 12.510 1.885 0.310 0.789 1.000 0.625 CA 1.390 9 residues pruned to eliminate duplicates Z: 15 45.922 2.276 0.975 0.916 1.000 0.929 CB 1.928 15 residues pruned to eliminate duplicates Z: 16 22.858 2.112 0.740 0.705 0.867 0.667 CB 1.538 16 residues pruned to eliminate duplicates Z: 22 67.911 2.562 0.885 0.926 1.000 0.952 CB 2.152 22 residues pruned to eliminate duplicates Z: 25 30.272 2.275 0.660 0.464 0.958 0.708 CB 1.771 25 residues pruned to eliminate duplicates Z: 6 10.403 1.943 0.412 0.701 1.000 0.800 C 1.413 6 residues pruned to eliminate duplicates Z: 9 18.923 1.807 1.384 0.611 1.000 0.750 CB 1.398 Z: 12 34.118 2.312 0.631 0.862 1.000 0.818 CB 2.003 12 residues pruned to eliminate duplicates Z: 6 22.446 2.113 1.247 0.656 1.000 0.800 C 1.829 10 residues pruned to eliminate duplicates Z: 7 21.106 2.184 0.558 0.898 1.000 0.833 CA 1.812 7 residues pruned to eliminate duplicates Z: 14 42.523 2.353 1.272 0.810 0.923 0.769 CB 1.825 14 residues pruned to eliminate duplicates Z: 17 64.270 2.434 1.326 0.889 1.000 0.750 C 2.044 17 residues pruned to eliminate duplicates Z: 23 28.257 2.148 0.834 0.560 0.864 0.773 CB 1.670 13 residues pruned to eliminate duplicates Z: 14 43.475 2.285 0.961 0.902 1.000 1.000 CB 1.920 14 residues pruned to eliminate duplicates Z: 17 35.238 2.291 0.571 0.922 1.000 0.875 CB 1.722 17 residues pruned to eliminate duplicates Z: 15 34.820 2.188 0.671 0.889 1.000 0.929 CB 1.832 15 residues pruned to eliminate duplicates Z: 7 7.933 1.956 0.113 0.742 0.833 0.500 CA 1.437 7 residues pruned to eliminate duplicates Z: 7 13.757 2.188 0.102 0.866 1.000 0.667 CB 1.705 7 residues pruned to eliminate duplicates Z: 22 31.121 2.184 0.846 0.567 0.952 0.714 C 1.656 22 residues pruned to eliminate duplicates Z: 36 49.909 2.408 0.862 0.678 0.914 0.629 CB 1.747 39 residues pruned to eliminate duplicates Z: 31 61.021 2.321 0.723 0.934 0.967 0.800 C 2.010 31 residues pruned to eliminate duplicates Z: 17 43.465 2.378 0.667 0.890 1.000 0.750 CB 1.971 17 residues pruned to eliminate duplicates Z: 36 68.884 2.443 0.678 0.895 0.971 0.829 C 2.096 36 residues pruned to eliminate duplicates Z: 15 47.594 2.278 1.066 0.925 1.000 0.929 CB 1.897 15 residues pruned to eliminate duplicates Z: 30 58.195 2.423 0.510 0.944 1.000 1.000 C 2.045 30 residues pruned to eliminate duplicates Z: 35 79.518 2.450 0.902 0.923 1.000 0.941 C 2.057 35 residues pruned to eliminate duplicates Z: 10 27.549 2.127 0.652 0.871 1.000 0.889 CA 1.907 10 residues pruned to eliminate duplicates Z: 16 36.382 2.452 0.522 0.886 1.000 0.867 CB 1.817 16 residues pruned to eliminate duplicates Z: 8 7.443 1.932 0.440 0.789 0.714 0.571 CB 1.098 8 residues pruned to eliminate duplicates Z: 11 18.503 2.146 1.185 0.477 0.900 0.700 CB 1.419 11 residues pruned to eliminate duplicates Z: 15 36.779 2.202 0.763 0.892 1.000 0.857 CB 1.820 15 residues pruned to eliminate duplicates Z: 10 28.099 2.265 0.660 0.899 1.000 0.778 CB 1.781 10 residues pruned to eliminate duplicates Z: 13 30.091 2.215 0.613 0.932 1.000 0.833 CB 1.698 13 residues pruned to eliminate duplicates Z: 136 132.594 2.533 0.944 0.708 0.956 0.674 CB 2.008 136 residues pruned to eliminate duplicates Z: 13 29.385 2.289 1.031 0.832 0.917 0.750 CB 1.495 13 residues pruned to eliminate duplicates Z: 10 19.972 1.999 0.815 0.789 0.889 0.444 CB 1.602 10 residues pruned to eliminate duplicates Z: 18 26.645 2.093 1.144 0.510 0.941 0.765 CB 1.515 18 residues pruned to eliminate duplicates Z: 14 29.487 2.158 0.567 0.874 1.000 0.923 CB 1.760 14 residues pruned to eliminate duplicates Z: 11 28.093 2.072 1.008 0.857 0.900 0.700 C 1.748 11 residues pruned to eliminate duplicates Z: 29 21.713 2.073 0.535 0.362 0.964 0.464 CB 1.552 29 residues pruned to eliminate duplicates Z: 9 15.791 2.040 0.325 0.776 0.875 0.750 CA 1.851 9 residues pruned to eliminate duplicates Z: 28 53.935 2.275 0.745 0.900 1.000 0.741 C 1.867 28 residues pruned to eliminate duplicates Z: 14 40.702 2.219 0.971 0.895 1.000 0.923 C 1.851 14 residues pruned to eliminate duplicates Z: 8 14.428 1.934 0.984 0.614 0.857 0.429 C 1.488 8 residues pruned to eliminate duplicates Z: 24 71.087 2.510 1.008 0.924 1.000 0.870 C 2.065 24 residues pruned to eliminate duplicates Z: 62 100.347 2.573 0.938 0.784 0.951 0.738 C 2.110 62 residues pruned to eliminate duplicates Z: 23 41.370 2.286 0.486 0.920 1.000 0.955 CB 1.827 23 residues pruned to eliminate duplicates Z: 9 7.234 1.898 0.352 0.305 0.750 0.375 CB 1.651 9 residues pruned to eliminate duplicates Z: 8 16.172 2.307 0.128 0.880 1.000 0.857 C 1.703 8 residues pruned to eliminate duplicates Z: 10 21.028 2.280 0.146 0.899 1.000 1.000 CB 1.918 10 residues pruned to eliminate duplicates Z: 26 47.491 2.351 0.595 0.879 0.960 0.800 CB 1.914 26 residues pruned to eliminate duplicates Z: 31 59.004 2.353 0.643 0.938 1.000 0.900 CB 1.938 31 residues pruned to eliminate duplicates Z: 35 78.698 2.490 1.020 0.891 0.941 0.794 C 2.049 35 residues pruned to eliminate duplicates Z: 30 35.836 2.237 0.707 0.680 0.862 0.621 CB 1.713 30 residues pruned to eliminate duplicates Z: 6 14.831 2.212 0.375 0.865 1.000 0.600 CA 1.597 6 residues pruned to eliminate duplicates Z: 19 51.720 2.481 0.978 0.876 0.944 0.667 CB 1.911 19 residues pruned to eliminate duplicates Z: 17 64.574 2.523 1.164 0.875 1.000 0.750 C 2.151 17 residues pruned to eliminate duplicates Z: 55 64.762 2.416 0.903 0.606 0.944 0.759 CB 1.836 55 residues pruned to eliminate duplicates Z: 24 32.085 2.374 0.698 0.542 0.826 0.522 CB 1.929 24 residues pruned to eliminate duplicates Z: 30 59.977 2.426 0.549 0.942 1.000 1.000 C 2.054 30 residues pruned to eliminate duplicates Z: 102 82.014 2.341 1.007 0.558 0.901 0.644 CB 1.823 102 residues pruned to eliminate duplicates Z: 16 25.869 2.171 0.916 0.767 0.800 0.667 CB 1.584 16 residues pruned to eliminate duplicates Z: 14 33.274 2.150 1.218 0.874 0.846 0.769 CB 1.664 14 residues pruned to eliminate duplicates Z: 70 107.788 2.550 0.962 0.779 0.971 0.768 CB 2.088 70 residues pruned to eliminate duplicates Z: 10 21.040 2.099 1.113 0.549 0.889 0.778 CB 1.695 10 residues pruned to eliminate duplicates Z: 15 15.398 2.063 0.747 0.497 0.714 0.571 CB 1.603 15 residues pruned to eliminate duplicates Z: 35 69.383 2.417 0.806 0.895 0.971 0.794 CB 2.014 35 residues pruned to eliminate duplicates Z: 26 56.353 2.424 0.791 0.891 1.000 0.880 CB 1.866 26 residues pruned to eliminate duplicates Z: 54 57.015 2.344 0.804 0.559 0.962 0.547 CB 1.818 54 residues pruned to eliminate duplicates Z: 8 30.919 2.324 1.073 0.835 1.000 0.857 CA 1.818 8 residues pruned to eliminate duplicates Z: 30 70.737 2.411 0.871 0.941 1.000 0.862 CB 2.021 30 residues pruned to eliminate duplicates Z: 33 52.612 2.443 0.847 0.670 0.906 0.656 CB 1.945 33 residues pruned to eliminate duplicates Z: 14 44.181 2.281 1.029 0.916 1.000 0.923 C 1.870 14 residues pruned to eliminate duplicates Z: 8 14.643 2.079 0.536 0.782 0.857 0.857 CB 1.577 8 residues pruned to eliminate duplicates Z: 25 47.523 2.409 1.123 0.701 0.917 0.625 CB 1.723 25 residues pruned to eliminate duplicates Z: 7 7.879 2.093 0.215 0.426 0.833 0.500 CA 1.640 7 residues pruned to eliminate duplicates Z: 13 14.723 1.903 0.733 0.499 0.917 0.583 C 1.407 13 residues pruned to eliminate duplicates Z: 16 37.536 2.296 0.771 0.790 1.000 0.867 CB 1.848 16 residues pruned to eliminate duplicates Z: 14 44.516 2.507 0.750 0.821 1.000 0.769 C 2.131 14 residues pruned to eliminate duplicates Z: 27 39.944 2.337 0.836 0.524 0.962 0.654 CB 1.854 27 residues pruned to eliminate duplicates Z: 40 56.193 2.409 0.514 0.828 0.923 0.692 C 2.014 40 residues pruned to eliminate duplicates Z: 43 41.981 2.118 0.996 0.542 0.976 0.690 CB 1.506 43 residues pruned to eliminate duplicates Z: 8 8.184 1.669 0.505 0.744 0.714 0.714 CA 1.385 8 residues pruned to eliminate duplicates Z: 15 35.719 2.402 0.361 0.928 1.000 0.857 CB 2.045 15 residues pruned to eliminate duplicates Z: 17 50.579 2.377 0.799 0.934 1.000 0.938 C 2.063 17 residues pruned to eliminate duplicates Z: 8 14.054 1.933 0.586 0.631 1.000 0.857 CA 1.533 8 residues pruned to eliminate duplicates Z: 37 68.744 2.333 0.791 0.915 1.000 0.917 C 1.938 37 residues pruned to eliminate duplicates Z: 70 104.117 2.545 0.919 0.786 0.971 0.826 C 2.055 70 residues pruned to eliminate duplicates Z: 31 54.833 2.316 0.613 0.913 0.967 0.967 CB 1.963 31 residues pruned to eliminate duplicates Z: 36 70.081 2.412 0.848 0.899 0.943 0.829 CB 2.015 36 residues pruned to eliminate duplicates Z: 19 40.916 2.285 1.090 0.839 0.944 0.667 CB 1.597 19 residues pruned to eliminate duplicates Z: 20 16.138 1.964 0.540 0.532 0.842 0.684 CB 1.409 20 residues pruned to eliminate duplicates Z: 17 46.567 2.362 0.740 0.924 1.000 1.000 C 1.989 17 residues pruned to eliminate duplicates Z: 15 34.899 2.319 0.863 0.847 1.000 0.571 CB 1.603 15 residues pruned to eliminate duplicates Z: 8 16.125 2.165 1.081 0.619 0.857 0.714 CB 1.410 8 residues pruned to eliminate duplicates Z: 15 24.937 2.464 0.570 0.430 0.929 0.643 C 1.994 15 residues pruned to eliminate duplicates Z: 20 49.025 2.361 1.122 0.838 0.947 0.789 CB 1.771 20 residues pruned to eliminate duplicates Z: 16 42.683 2.416 0.817 0.911 1.000 0.800 CB 1.779 16 residues pruned to eliminate duplicates Z: 81 82.189 2.451 0.985 0.571 0.925 0.625 CB 1.906 81 residues pruned to eliminate duplicates Z: 8 5.834 1.896 0.514 0.376 0.714 0.429 CB 1.228 8 residues pruned to eliminate duplicates Z: 17 29.171 2.204 0.371 0.894 1.000 0.875 CB 1.732 17 residues pruned to eliminate duplicates Z: 22 66.207 2.505 0.933 0.933 1.000 0.952 C 2.082 22 residues pruned to eliminate duplicates Z: 26 44.217 2.255 0.965 0.677 0.960 0.520 CB 1.767 26 residues pruned to eliminate duplicates Z: 13 18.312 2.168 0.830 0.504 0.750 0.500 CA 1.769 13 residues pruned to eliminate duplicates Z: 16 40.138 2.405 0.663 0.901 0.933 0.733 CB 1.982 16 residues pruned to eliminate duplicates Z: 8 18.296 2.031 0.563 0.895 1.000 0.714 CA 1.562 8 residues pruned to eliminate duplicates Z: 13 32.608 2.195 0.876 0.821 1.000 0.750 CB 1.731 13 residues pruned to eliminate duplicates Z: 9 25.942 2.189 0.862 0.851 1.000 0.875 C 1.666 9 residues pruned to eliminate duplicates Z: 49 44.454 2.239 0.703 0.522 0.917 0.667 CB 1.796 49 residues pruned to eliminate duplicates Z: 18 41.622 2.519 0.988 0.524 1.000 0.882 C 1.967 18 residues pruned to eliminate duplicates Z: 31 54.750 2.360 0.561 0.917 0.967 0.933 C 1.980 31 residues pruned to eliminate duplicates Z: 12 29.438 2.315 0.896 0.853 0.909 0.909 CB 1.644 12 residues pruned to eliminate duplicates Z: 13 42.990 2.480 0.950 0.884 1.000 0.750 CB 1.854 13 residues pruned to eliminate duplicates Z: 9 8.321 2.035 0.694 0.421 0.750 0.500 CB 1.236 9 residues pruned to eliminate duplicates Z: 26 43.166 2.253 0.733 0.779 0.960 0.880 CB 1.801 26 residues pruned to eliminate duplicates Z: 7 16.493 2.425 0.484 0.570 1.000 0.833 CB 1.749 7 residues pruned to eliminate duplicates Z: 22 17.579 1.989 0.687 0.395 0.952 0.571 CB 1.341 22 residues pruned to eliminate duplicates Z: 6 3.831 1.600 1.126 0.295 0.600 0.400 CB 1.056 6 residues pruned to eliminate duplicates Z: 30 52.248 2.491 1.020 0.569 0.931 0.655 CB 1.936 30 residues pruned to eliminate duplicates Z: 6 13.434 2.096 0.795 0.507 1.000 0.800 CA 1.586 6 residues pruned to eliminate duplicates Z: 49 58.779 2.401 0.920 0.573 0.917 0.625 CB 1.871 49 residues pruned to eliminate duplicates Z: 17 47.520 2.370 0.842 0.920 0.938 0.812 C 2.044 17 residues pruned to eliminate duplicates Z: 8 20.337 2.354 0.376 0.763 1.000 1.000 C 1.879 8 residues pruned to eliminate duplicates Z: 31 65.247 2.333 0.825 0.922 1.000 0.967 C 1.967 31 residues pruned to eliminate duplicates Z: 6 5.897 1.477 0.377 0.769 1.000 0.600 CB 1.022 Z: 13 45.798 2.464 0.965 0.873 1.000 0.583 CA 1.988 13 residues pruned to eliminate duplicates Z: 31 67.082 2.249 1.030 0.921 1.000 0.633 C 1.888 31 residues pruned to eliminate duplicates Z: 31 45.514 2.328 0.975 0.582 0.867 0.533 C 1.929 31 residues pruned to eliminate duplicates Z: 7 15.743 2.102 0.971 0.619 1.000 0.667 CB 1.387 7 residues pruned to eliminate duplicates Z: 9 11.763 1.938 0.099 0.891 1.000 1.000 CA 1.405 9 residues pruned to eliminate duplicates Z: 40 41.144 2.204 0.914 0.587 0.897 0.564 CB 1.602 40 residues pruned to eliminate duplicates Z: 22 38.874 2.192 0.638 0.922 0.952 0.905 CB 1.744 22 residues pruned to eliminate duplicates Z: 22 33.660 2.165 0.627 0.866 0.905 0.714 CB 1.687 22 residues pruned to eliminate duplicates Z: 35 80.044 2.473 0.900 0.920 1.000 0.853 CB 2.057 35 residues pruned to eliminate duplicates Z: 12 18.075 2.069 1.027 0.451 0.909 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 6 6.551 1.818 0.459 0.490 1.000 0.800 C 1.115 6 residues pruned to eliminate duplicates Z: 23 72.927 2.462 1.562 0.900 0.864 0.545 C 2.038 21 residues pruned to eliminate duplicates Z: 16 18.745 2.192 0.505 0.525 0.933 0.667 CB 1.533 16 residues pruned to eliminate duplicates Z: 12 18.870 2.090 0.750 0.665 0.818 0.818 C 1.632 12 residues pruned to eliminate duplicates Z: 20 43.635 2.279 0.748 0.912 0.947 0.737 C 1.879 20 residues pruned to eliminate duplicates Z: 37 73.573 2.449 1.183 0.674 1.000 0.667 C 1.954 37 residues pruned to eliminate duplicates Z: 37 78.154 2.400 0.950 0.914 1.000 0.806 CB 1.967 37 residues pruned to eliminate duplicates Z: 55 51.031 2.230 1.012 0.530 0.944 0.704 CB 1.590 55 residues pruned to eliminate duplicates Z: 33 62.568 2.347 0.926 0.792 1.000 0.875 CB 1.895 33 residues pruned to eliminate duplicates Z: 7 7.474 1.498 0.520 0.859 1.000 0.500 CB 0.986 Z: 6 5.925 1.988 0.620 0.240 0.800 0.600 CB 1.390 6 residues pruned to eliminate duplicates Z: 10 24.899 2.499 0.905 0.603 0.778 0.556 CB 2.033 10 residues pruned to eliminate duplicates Z: 33 77.979 2.576 1.125 0.732 0.969 0.719 CB 2.111 33 residues pruned to eliminate duplicates Z: 9 29.911 2.555 0.657 0.749 1.000 0.750 CA 2.001 9 residues pruned to eliminate duplicates Z: 7 13.543 2.141 0.811 0.290 1.000 0.500 CA 1.805 7 residues pruned to eliminate duplicates Z: 9 16.969 2.589 0.903 0.468 0.750 0.500 CB 1.678 9 residues pruned to eliminate duplicates Z: 35 52.300 2.345 0.599 0.817 0.971 0.824 CB 1.871 31 residues pruned to eliminate duplicates Z: 42 43.439 2.169 1.136 0.481 0.927 0.561 CB 1.611 42 residues pruned to eliminate duplicates Z: 8 18.192 2.117 0.778 0.697 1.000 0.714 CB 1.527 8 residues pruned to eliminate duplicates Z: 32 63.334 2.336 0.995 0.816 1.000 0.935 CB 1.855 32 residues pruned to eliminate duplicates Z: 12 16.383 2.327 0.546 0.533 0.727 0.545 C 1.828 12 residues pruned to eliminate duplicates Z: 14 33.049 2.364 0.698 0.882 0.923 0.692 CB 1.790 14 residues pruned to eliminate duplicates Z: 17 23.230 2.110 0.701 0.498 1.000 0.688 CB 1.621 17 residues pruned to eliminate duplicates Z: 27 54.406 2.288 1.000 0.824 1.000 0.808 CB 1.761 29 residues pruned to eliminate duplicates Z: 16 57.625 2.510 0.913 0.882 1.000 0.733 C 2.243 16 residues pruned to eliminate duplicates Z: 30 59.737 2.393 0.632 0.939 1.000 1.000 CB 1.974 30 residues pruned to eliminate duplicates Z: 35 74.521 2.469 0.792 0.932 1.000 0.853 C 2.017 35 residues pruned to eliminate duplicates Z: 21 73.034 2.582 1.122 0.930 1.000 0.750 C 2.085 22 residues pruned to eliminate duplicates Z: 19 87.722 2.767 1.363 0.894 1.000 0.667 C 2.269 20 residues pruned to eliminate duplicates Z: 17 25.256 2.246 0.750 0.472 1.000 0.750 CB 1.653 17 residues pruned to eliminate duplicates Z: 7 8.862 1.500 0.795 0.806 1.000 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 18 51.271 2.485 0.732 0.877 1.000 0.765 C 2.098 18 residues pruned to eliminate duplicates Z: 17 59.280 2.561 1.230 0.773 1.000 0.938 CB 2.038 17 residues pruned to eliminate duplicates Z: 7 11.796 2.119 0.554 0.453 1.000 0.667 CB 1.534 7 residues pruned to eliminate duplicates Z: 20 29.166 2.332 0.670 0.595 0.895 0.737 CB 1.753 20 residues pruned to eliminate duplicates Z: 24 40.920 2.210 0.850 0.759 1.000 0.870 CB 1.658 24 residues pruned to eliminate duplicates Z: 13 33.885 2.213 0.936 0.891 0.917 0.833 C 1.791 13 residues pruned to eliminate duplicates Z: 8 9.010 2.126 0.402 0.293 0.857 0.286 CA 1.681 8 residues pruned to eliminate duplicates Z: 30 68.830 2.440 0.773 0.941 1.000 0.897 C 2.051 30 residues pruned to eliminate duplicates Z: 18 31.893 2.037 1.016 0.716 1.000 0.941 CB 1.549 18 residues pruned to eliminate duplicates Z: 80 111.255 2.590 1.004 0.766 0.937 0.785 CB 2.034 80 residues pruned to eliminate duplicates Z: 16 42.145 2.132 1.030 0.926 1.000 0.733 CB 1.762 16 residues pruned to eliminate duplicates Z: 8 10.744 2.485 0.894 0.395 0.714 0.571 CB 1.350 8 residues pruned to eliminate duplicates Z: 43 82.232 2.531 1.018 0.768 0.952 0.714 C 2.057 43 residues pruned to eliminate duplicates Z: 48 89.836 2.516 1.096 0.775 0.957 0.809 C 2.035 48 residues pruned to eliminate duplicates Z: 30 50.594 2.443 0.935 0.624 0.966 0.724 CB 1.832 30 residues pruned to eliminate duplicates Z: 26 35.150 2.133 1.124 0.529 0.920 0.680 CB 1.639 26 residues pruned to eliminate duplicates 325 residues left after pruning, divided into chains as follows: A: 102 B: 33 C: 136 D: 54 CC for partial structure against native data = 38.47 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.418, Connect. = 0.775 for dens.mod. cycle 1 = 0.300, Contrast = 0.484, Connect. = 0.800 for dens.mod. cycle 2 = 0.300, Contrast = 0.579, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.595, Connect. = 0.833 for dens.mod. cycle 4 = 0.300, Contrast = 0.612, Connect. = 0.836 for dens.mod. cycle 5 = 0.300, Contrast = 0.623, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.633, Connect. = 0.840 for dens.mod. cycle 7 = 0.300, Contrast = 0.641, Connect. = 0.841 for dens.mod. cycle 8 = 0.300, Contrast = 0.647, Connect. = 0.842 for dens.mod. cycle 9 = 0.300, Contrast = 0.652, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2398 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 442 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 77.243 2.634 0.988 0.914 1.000 0.810 C 2.276 B: 21 85.072 2.776 1.025 0.924 1.000 0.900 C 2.377 22 residues pruned to eliminate duplicates C: 9 28.381 2.333 0.579 0.891 1.000 1.000 C 1.958 D: 22 77.082 2.694 0.938 0.931 0.952 0.857 C 2.364 22 residues pruned to eliminate duplicates E: 18 55.269 2.551 0.780 0.898 1.000 0.824 CB 2.112 F: 21 80.653 2.792 0.951 0.926 1.000 0.800 C 2.322 21 residues pruned to eliminate duplicates G: 31 74.635 2.461 0.953 0.904 0.967 0.867 C 2.088 H: 27 69.138 2.606 0.843 0.890 0.923 0.654 C 2.200 I: 22 70.845 2.634 0.841 0.918 1.000 0.810 C 2.248 22 residues pruned to eliminate duplicates J: 30 73.335 2.560 0.713 0.931 1.000 0.966 C 2.169 30 residues pruned to eliminate duplicates K: 9 27.151 2.592 0.452 0.895 0.875 0.875 CB 2.091 10 residues pruned to eliminate duplicates L: 10 27.373 2.306 0.641 0.845 1.000 0.778 CB 1.793 10 residues pruned to eliminate duplicates M: 37 83.141 2.613 0.765 0.865 1.000 0.750 C 2.202 N: 10 25.717 2.297 0.681 0.874 0.889 0.778 CB 1.819 10 residues pruned to eliminate duplicates O: 20 82.280 2.866 0.902 0.926 1.000 0.737 CB 2.429 20 residues pruned to eliminate duplicates P: 17 35.219 2.498 0.277 0.910 1.000 0.812 CB 1.958 Q: 21 86.028 2.807 1.014 0.933 1.000 0.900 C 2.374 21 residues pruned to eliminate duplicates R: 21 83.607 2.756 1.065 0.928 1.000 0.850 C 2.301 21 residues pruned to eliminate duplicates S: 31 74.447 2.460 0.908 0.936 0.967 0.933 C 2.086 31 residues pruned to eliminate duplicates T: 10 25.059 2.317 0.459 0.877 1.000 0.889 CB 1.793 10 residues pruned to eliminate duplicates U: 20 100.260 2.871 1.295 0.924 1.000 0.684 C 2.451 21 residues pruned to eliminate duplicates V: 22 82.728 2.682 1.013 0.923 1.000 0.762 CA 2.350 22 residues pruned to eliminate duplicates W: 31 73.295 2.440 0.958 0.911 0.967 0.700 C 2.053 31 residues pruned to eliminate duplicates X: 32 77.705 2.408 1.024 0.918 1.000 0.839 C 2.020 32 residues pruned to eliminate duplicates Y: 19 44.490 2.457 0.540 0.888 1.000 0.778 CB 1.997 19 residues pruned to eliminate duplicates Z: 15 45.953 2.573 0.522 0.891 1.000 0.929 C 2.254 15 residues pruned to eliminate duplicates Z: 18 44.430 2.482 0.638 0.862 0.941 0.765 CB 2.068 18 residues pruned to eliminate duplicates Z: 22 76.434 2.671 0.952 0.916 1.000 0.857 C 2.259 22 residues pruned to eliminate duplicates Z: 21 89.169 2.791 1.136 0.931 1.000 0.750 CB 2.337 21 residues pruned to eliminate duplicates Z: 35 85.359 2.641 0.789 0.917 1.000 0.794 C 2.186 37 residues pruned to eliminate duplicates Z: 22 75.215 2.686 0.899 0.913 1.000 0.857 C 2.277 22 residues pruned to eliminate duplicates Z: 39 74.960 2.534 0.694 0.881 0.947 0.789 C 2.165 39 residues pruned to eliminate duplicates Z: 17 35.664 2.398 0.478 0.913 1.000 0.688 CB 1.781 17 residues pruned to eliminate duplicates Z: 36 82.338 2.665 0.741 0.893 0.971 0.771 C 2.217 36 residues pruned to eliminate duplicates Z: 29 47.763 2.430 0.623 0.870 0.929 0.786 CB 1.800 29 residues pruned to eliminate duplicates Z: 17 39.778 2.500 0.353 0.899 1.000 0.812 CB 2.101 17 residues pruned to eliminate duplicates Z: 18 37.707 2.376 0.477 0.891 1.000 0.765 CB 1.874 19 residues pruned to eliminate duplicates Z: 36 85.451 2.627 0.906 0.895 0.943 0.800 C 2.193 35 residues pruned to eliminate duplicates Z: 21 92.049 2.801 1.201 0.903 1.000 0.850 CB 2.380 21 residues pruned to eliminate duplicates Z: 31 77.005 2.481 0.900 0.923 1.000 0.867 C 2.095 31 residues pruned to eliminate duplicates Z: 21 68.572 2.723 0.666 0.931 1.000 0.950 C 2.361 20 residues pruned to eliminate duplicates Z: 13 61.231 2.621 1.076 0.933 1.000 0.917 C 2.266 13 residues pruned to eliminate duplicates Z: 17 61.432 2.583 0.989 0.886 1.000 0.750 CB 2.157 18 residues pruned to eliminate duplicates Z: 15 36.038 2.304 0.651 0.929 0.929 0.857 CB 1.908 Z: 15 40.835 2.296 0.986 0.895 1.000 0.929 CB 1.716 Z: 34 70.192 2.575 0.610 0.906 0.970 0.758 C 2.161 34 residues pruned to eliminate duplicates Z: 21 86.391 2.717 1.187 0.946 0.950 0.800 C 2.367 21 residues pruned to eliminate duplicates Z: 36 84.540 2.602 0.826 0.907 0.971 0.886 C 2.201 36 residues pruned to eliminate duplicates Z: 19 49.319 2.583 0.585 0.862 1.000 0.778 CB 2.085 17 residues pruned to eliminate duplicates Z: 40 78.048 2.537 0.674 0.877 1.000 0.795 C 2.137 40 residues pruned to eliminate duplicates Z: 30 76.542 2.614 0.904 0.881 0.966 0.759 CB 2.142 30 residues pruned to eliminate duplicates Z: 30 76.304 2.523 0.808 0.936 1.000 0.931 C 2.163 30 residues pruned to eliminate duplicates Z: 7 19.227 2.549 0.175 0.877 1.000 1.000 C 1.904 Z: 13 32.345 2.306 0.865 0.870 0.833 0.667 C 1.902 13 residues pruned to eliminate duplicates Z: 21 80.277 2.750 0.927 0.931 1.000 1.000 CB 2.367 20 residues pruned to eliminate duplicates Z: 17 39.438 2.474 0.397 0.909 1.000 0.750 CB 2.026 16 residues pruned to eliminate duplicates Z: 18 45.853 2.418 0.732 0.887 0.941 0.882 C 2.035 18 residues pruned to eliminate duplicates Z: 19 33.780 2.278 0.392 0.892 1.000 0.778 CB 1.805 18 residues pruned to eliminate duplicates Z: 18 54.212 2.424 0.903 0.852 1.000 0.765 CA 2.108 18 residues pruned to eliminate duplicates Z: 29 72.906 2.587 0.653 0.938 1.000 0.893 CB 2.240 29 residues pruned to eliminate duplicates Z: 18 42.729 2.397 0.612 0.905 1.000 0.647 CB 1.909 18 residues pruned to eliminate duplicates Z: 13 36.020 2.330 0.678 0.930 1.000 0.750 CB 1.861 13 residues pruned to eliminate duplicates Z: 21 75.521 2.741 0.861 0.920 1.000 0.750 C 2.331 21 residues pruned to eliminate duplicates Z: 22 78.379 2.611 1.011 0.932 1.000 0.714 C 2.275 22 residues pruned to eliminate duplicates Z: 10 29.676 2.340 0.615 0.873 1.000 0.889 CB 1.906 9 residues pruned to eliminate duplicates Z: 16 48.852 2.655 0.628 0.876 1.000 0.867 CB 2.120 16 residues pruned to eliminate duplicates Z: 34 85.593 2.646 0.784 0.922 1.000 0.848 C 2.220 34 residues pruned to eliminate duplicates Z: 31 77.569 2.458 0.905 0.933 1.000 0.967 C 2.110 31 residues pruned to eliminate duplicates Z: 9 18.338 2.157 0.450 0.750 1.000 0.750 CB 1.658 8 residues pruned to eliminate duplicates Z: 22 83.851 2.692 1.068 0.931 1.000 0.857 C 2.298 22 residues pruned to eliminate duplicates Z: 13 18.919 2.132 0.459 0.844 1.000 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 16 37.218 2.379 0.902 0.869 1.000 0.867 CB 1.551 14 residues pruned to eliminate duplicates Z: 9 14.209 2.033 0.175 0.823 1.000 0.750 CA 1.589 Z: 19 50.672 2.462 0.772 0.888 1.000 0.667 CB 1.973 19 residues pruned to eliminate duplicates Z: 30 60.103 2.423 0.756 0.899 0.931 0.690 CB 2.013 30 residues pruned to eliminate duplicates Z: 13 30.836 2.271 0.538 0.907 1.000 1.000 C 1.811 13 residues pruned to eliminate duplicates Z: 29 70.910 2.511 0.864 0.905 1.000 0.679 CB 2.038 29 residues pruned to eliminate duplicates Z: 31 80.528 2.472 1.055 0.926 0.967 0.833 C 2.100 31 residues pruned to eliminate duplicates Z: 23 70.196 2.625 0.871 0.905 0.955 0.727 CB 2.273 23 residues pruned to eliminate duplicates Z: 69 119.402 2.667 0.874 0.786 1.000 0.765 C 2.253 58 residues pruned to eliminate duplicates Z: 15 38.621 2.351 0.476 0.918 1.000 0.929 C 2.097 15 residues pruned to eliminate duplicates Z: 71 117.842 2.656 0.981 0.765 0.971 0.686 CB 2.178 70 residues pruned to eliminate duplicates Z: 22 50.480 2.508 0.569 0.889 0.952 0.905 C 2.116 22 residues pruned to eliminate duplicates Z: 30 61.059 2.528 0.771 0.870 0.897 0.724 CB 2.062 30 residues pruned to eliminate duplicates Z: 31 75.207 2.476 0.841 0.929 1.000 0.800 C 2.108 31 residues pruned to eliminate duplicates Z: 37 85.346 2.544 0.903 0.898 1.000 0.806 C 2.101 37 residues pruned to eliminate duplicates Z: 8 23.867 2.551 0.652 0.810 0.857 0.429 CA 1.906 8 residues pruned to eliminate duplicates Z: 17 49.279 2.631 0.602 0.883 1.000 0.812 CB 2.113 17 residues pruned to eliminate duplicates Z: 22 78.830 2.654 0.993 0.901 1.000 0.810 CB 2.321 23 residues pruned to eliminate duplicates Z: 45 47.348 2.282 1.023 0.542 0.864 0.568 CB 1.718 15 residues pruned to eliminate duplicates Z: 10 25.575 2.325 0.587 0.870 0.889 0.778 CB 1.897 10 residues pruned to eliminate duplicates Z: 26 66.178 2.564 0.808 0.896 0.960 0.720 CB 2.130 26 residues pruned to eliminate duplicates Z: 36 69.673 2.594 0.541 0.911 0.943 0.829 C 2.215 36 residues pruned to eliminate duplicates Z: 19 54.431 2.568 0.955 0.867 0.944 0.778 CB 1.978 19 residues pruned to eliminate duplicates Z: 19 41.239 2.602 0.500 0.861 0.944 0.722 CB 1.937 19 residues pruned to eliminate duplicates Z: 29 60.364 2.515 0.608 0.902 1.000 0.821 CB 2.012 29 residues pruned to eliminate duplicates Z: 34 91.182 2.664 0.893 0.928 1.000 0.879 C 2.205 34 residues pruned to eliminate duplicates Z: 17 49.600 2.552 0.675 0.913 1.000 0.750 CB 2.053 18 residues pruned to eliminate duplicates Z: 35 84.372 2.596 0.871 0.917 0.971 0.941 C 2.166 35 residues pruned to eliminate duplicates Z: 14 36.481 2.246 0.888 0.886 1.000 0.923 CB 1.723 15 residues pruned to eliminate duplicates Z: 36 81.069 2.565 0.797 0.896 0.971 0.886 C 2.192 36 residues pruned to eliminate duplicates Z: 10 25.516 2.301 0.510 0.894 1.000 0.778 CB 1.756 9 residues pruned to eliminate duplicates Z: 15 41.397 2.361 0.620 0.922 1.000 1.000 CB 2.035 15 residues pruned to eliminate duplicates Z: 34 81.572 2.597 0.913 0.920 0.939 0.788 C 2.142 34 residues pruned to eliminate duplicates Z: 44 50.868 2.330 0.992 0.555 0.930 0.698 CB 1.703 45 residues pruned to eliminate duplicates Z: 13 52.066 2.563 1.105 0.869 1.000 0.833 C 2.035 14 residues pruned to eliminate duplicates Z: 38 75.349 2.548 0.633 0.891 1.000 0.865 C 2.140 38 residues pruned to eliminate duplicates Z: 31 74.423 2.400 0.987 0.901 1.000 0.733 C 2.034 31 residues pruned to eliminate duplicates Z: 17 37.115 2.400 0.415 0.916 1.000 0.750 CB 1.929 17 residues pruned to eliminate duplicates Z: 19 43.601 2.550 0.499 0.848 1.000 0.722 CB 1.994 19 residues pruned to eliminate duplicates Z: 18 62.282 2.542 1.021 0.879 1.000 0.529 CB 2.132 18 residues pruned to eliminate duplicates Z: 8 18.388 2.384 0.182 0.805 1.000 0.714 CA 1.890 8 residues pruned to eliminate duplicates Z: 21 85.805 2.711 1.070 0.940 1.000 0.800 C 2.374 21 residues pruned to eliminate duplicates Z: 21 88.970 2.761 1.189 0.921 1.000 0.900 C 2.315 21 residues pruned to eliminate duplicates Z: 34 78.702 2.650 0.628 0.919 1.000 0.909 C 2.237 34 residues pruned to eliminate duplicates Z: 14 40.468 2.467 0.593 0.945 1.000 1.000 CB 1.976 14 residues pruned to eliminate duplicates Z: 7 20.746 2.372 0.364 0.856 1.000 1.000 CA 1.931 Z: 36 76.480 2.558 0.686 0.894 1.000 0.800 C 2.150 36 residues pruned to eliminate duplicates Z: 19 49.241 2.590 0.743 0.844 0.944 0.722 CB 2.025 19 residues pruned to eliminate duplicates Z: 17 47.472 2.528 0.801 0.828 0.938 0.812 C 2.094 17 residues pruned to eliminate duplicates Z: 35 69.251 2.597 0.579 0.875 0.941 0.824 C 2.237 35 residues pruned to eliminate duplicates Z: 45 45.687 2.265 0.876 0.526 0.909 0.659 CB 1.738 44 residues pruned to eliminate duplicates Z: 17 55.520 2.556 0.794 0.890 1.000 0.875 C 2.178 17 residues pruned to eliminate duplicates Z: 36 76.371 2.519 0.683 0.927 1.000 0.829 C 2.134 36 residues pruned to eliminate duplicates Z: 34 81.303 2.585 0.913 0.926 0.939 0.788 C 2.137 34 residues pruned to eliminate duplicates Z: 31 66.042 2.447 0.668 0.930 1.000 0.833 C 2.066 31 residues pruned to eliminate duplicates Z: 22 85.454 2.690 1.085 0.935 1.000 0.810 C 2.318 22 residues pruned to eliminate duplicates Z: 18 45.729 2.357 0.746 0.893 1.000 0.765 CB 1.934 17 residues pruned to eliminate duplicates Z: 30 80.995 2.482 1.074 0.923 0.966 0.793 CB 2.127 30 residues pruned to eliminate duplicates Z: 29 54.712 2.505 0.598 0.862 0.929 0.786 CB 2.042 29 residues pruned to eliminate duplicates Z: 39 85.797 2.582 0.894 0.864 0.947 0.763 C 2.202 39 residues pruned to eliminate duplicates Z: 33 90.644 2.696 0.880 0.925 1.000 0.844 C 2.218 33 residues pruned to eliminate duplicates Z: 15 36.129 2.349 0.444 0.908 1.000 0.857 CB 2.021 15 residues pruned to eliminate duplicates Z: 22 58.472 2.477 0.717 0.921 1.000 0.952 CB 2.112 22 residues pruned to eliminate duplicates Z: 18 48.417 2.401 0.896 0.856 0.941 0.765 C 2.021 18 residues pruned to eliminate duplicates Z: 37 83.434 2.613 0.777 0.900 0.972 0.889 C 2.201 37 residues pruned to eliminate duplicates Z: 8 11.781 2.167 0.138 0.821 0.857 0.714 C 1.594 8 residues pruned to eliminate duplicates Z: 31 70.094 2.458 0.888 0.912 0.933 0.833 C 2.093 31 residues pruned to eliminate duplicates Z: 18 41.073 2.366 0.565 0.882 1.000 0.765 CB 1.946 18 residues pruned to eliminate duplicates Z: 30 68.063 2.437 0.841 0.907 1.000 0.759 CB 2.002 30 residues pruned to eliminate duplicates Z: 38 79.057 2.587 0.644 0.878 1.000 0.838 C 2.218 38 residues pruned to eliminate duplicates Z: 15 45.951 2.352 0.892 0.895 1.000 0.857 C 1.979 15 residues pruned to eliminate duplicates Z: 36 75.645 2.479 0.726 0.920 0.971 0.857 C 2.166 36 residues pruned to eliminate duplicates Z: 61 56.242 2.311 0.909 0.499 0.950 0.633 CB 1.734 52 residues pruned to eliminate duplicates Z: 30 67.914 2.529 0.632 0.940 1.000 0.966 C 2.121 30 residues pruned to eliminate duplicates Z: 37 75.937 2.585 0.683 0.868 0.972 0.833 C 2.187 37 residues pruned to eliminate duplicates Z: 21 93.044 2.744 1.255 0.932 1.000 0.750 C 2.349 21 residues pruned to eliminate duplicates Z: 73 60.020 2.317 0.966 0.482 0.903 0.667 CB 1.751 71 residues pruned to eliminate duplicates Z: 38 73.544 2.554 0.623 0.873 0.973 0.838 C 2.184 38 residues pruned to eliminate duplicates Z: 14 21.671 2.363 0.510 0.527 1.000 0.692 CB 1.641 14 residues pruned to eliminate duplicates Z: 26 57.665 2.522 0.636 0.881 0.960 0.840 C 2.108 26 residues pruned to eliminate duplicates Z: 31 65.897 2.446 0.633 0.932 1.000 0.900 C 2.104 31 residues pruned to eliminate duplicates Z: 38 81.654 2.599 0.772 0.885 0.973 0.838 C 2.164 38 residues pruned to eliminate duplicates Z: 30 80.789 2.539 0.915 0.946 1.000 0.793 C 2.133 31 residues pruned to eliminate duplicates Z: 36 89.397 2.661 0.915 0.896 0.971 0.800 C 2.187 36 residues pruned to eliminate duplicates Z: 31 60.793 2.444 0.500 0.927 1.000 0.867 CB 2.123 31 residues pruned to eliminate duplicates Z: 21 83.693 2.786 0.981 0.933 1.000 0.800 C 2.367 21 residues pruned to eliminate duplicates Z: 20 30.335 2.393 0.440 0.811 0.895 0.789 CB 1.721 20 residues pruned to eliminate duplicates Z: 34 80.594 2.622 0.733 0.889 1.000 0.879 C 2.222 34 residues pruned to eliminate duplicates Z: 30 71.360 2.543 0.810 0.921 0.931 0.828 C 2.176 30 residues pruned to eliminate duplicates Z: 18 40.416 2.344 0.534 0.888 1.000 0.706 CB 1.964 18 residues pruned to eliminate duplicates Z: 22 54.561 2.285 0.858 0.913 1.000 0.857 CB 1.985 22 residues pruned to eliminate duplicates Z: 31 64.783 2.467 0.667 0.918 0.967 0.867 C 2.098 30 residues pruned to eliminate duplicates Z: 14 42.578 2.461 1.046 0.886 1.000 0.769 CB 1.692 13 residues pruned to eliminate duplicates Z: 34 71.198 2.611 0.950 0.653 1.000 0.727 CB 2.111 25 residues pruned to eliminate duplicates Z: 17 56.415 2.571 1.051 0.882 0.938 0.688 CB 2.065 17 residues pruned to eliminate duplicates Z: 15 23.019 2.203 0.808 0.778 0.857 0.571 CB 1.410 15 residues pruned to eliminate duplicates Z: 21 45.463 2.359 0.629 0.820 1.000 0.750 C 2.004 21 residues pruned to eliminate duplicates Z: 31 79.164 2.486 0.970 0.919 1.000 0.933 C 2.080 31 residues pruned to eliminate duplicates Z: 19 52.540 2.632 0.736 0.850 0.944 0.667 CB 2.126 19 residues pruned to eliminate duplicates Z: 8 11.203 1.709 0.377 0.808 1.000 0.571 CB 1.375 Z: 31 77.629 2.449 0.894 0.960 1.000 0.900 C 2.092 31 residues pruned to eliminate duplicates Z: 10 16.371 1.863 1.181 0.459 1.000 0.667 C 1.400 Z: 15 50.367 2.371 0.994 0.895 1.000 0.786 C 2.041 15 residues pruned to eliminate duplicates Z: 28 66.469 2.553 0.739 0.895 1.000 0.704 CB 2.066 28 residues pruned to eliminate duplicates Z: 71 92.573 2.534 0.919 0.635 0.971 0.686 CB 2.064 61 residues pruned to eliminate duplicates Z: 20 25.359 2.311 0.730 0.403 0.842 0.684 C 1.913 8 residues pruned to eliminate duplicates Z: 19 42.527 2.431 0.548 0.899 1.000 0.778 CB 1.903 19 residues pruned to eliminate duplicates Z: 8 22.408 2.209 0.630 0.842 1.000 0.857 CB 1.753 8 residues pruned to eliminate duplicates Z: 88 127.989 2.665 0.993 0.751 0.931 0.644 C 2.217 86 residues pruned to eliminate duplicates Z: 8 15.025 2.002 0.671 0.741 0.857 0.429 CA 1.596 8 residues pruned to eliminate duplicates Z: 68 88.051 2.503 0.978 0.636 0.955 0.567 CB 2.002 68 residues pruned to eliminate duplicates Z: 62 50.997 2.258 0.900 0.483 0.934 0.607 CB 1.657 62 residues pruned to eliminate duplicates Z: 15 38.588 2.246 0.728 0.884 1.000 0.786 CB 1.920 15 residues pruned to eliminate duplicates Z: 35 83.237 2.588 0.896 0.898 0.941 0.853 C 2.211 35 residues pruned to eliminate duplicates Z: 64 56.294 2.285 0.811 0.517 0.968 0.698 CB 1.741 63 residues pruned to eliminate duplicates Z: 62 56.001 2.268 0.959 0.464 0.967 0.607 CB 1.732 64 residues pruned to eliminate duplicates Z: 20 47.816 2.466 0.787 0.836 0.947 0.526 CB 1.966 20 residues pruned to eliminate duplicates Z: 17 38.833 2.442 0.428 0.910 1.000 0.812 CB 1.974 17 residues pruned to eliminate duplicates Z: 18 34.163 2.336 0.395 0.901 1.000 0.706 CB 1.814 18 residues pruned to eliminate duplicates Z: 6 19.186 2.431 0.308 0.864 1.000 1.000 CB 1.978 6 residues pruned to eliminate duplicates Z: 8 17.911 2.176 0.300 0.884 1.000 1.000 CA 1.728 8 residues pruned to eliminate duplicates Z: 6 13.561 2.096 0.510 0.779 1.000 1.000 C 1.498 23 residues pruned to eliminate duplicates Z: 8 20.785 2.400 0.405 0.652 1.000 0.429 C 2.023 Z: 18 43.476 2.371 0.783 0.826 1.000 0.529 CB 1.881 18 residues pruned to eliminate duplicates Z: 31 60.251 2.443 0.514 0.912 1.000 0.867 C 2.107 31 residues pruned to eliminate duplicates Z: 15 30.743 2.272 0.304 0.902 1.000 1.000 CB 1.978 15 residues pruned to eliminate duplicates Z: 8 18.258 2.209 0.512 0.830 0.857 0.714 CB 1.812 8 residues pruned to eliminate duplicates Z: 12 13.012 2.005 0.588 0.455 0.909 0.636 CB 1.420 12 residues pruned to eliminate duplicates Z: 31 70.005 2.442 0.763 0.927 1.000 0.900 CB 2.081 31 residues pruned to eliminate duplicates Z: 18 35.883 2.410 0.793 0.558 1.000 0.765 CA 1.903 18 residues pruned to eliminate duplicates Z: 29 60.309 2.493 0.748 0.879 0.929 0.750 CB 2.042 29 residues pruned to eliminate duplicates Z: 15 42.140 2.267 0.926 0.853 1.000 0.786 CB 1.906 15 residues pruned to eliminate duplicates Z: 27 31.921 2.322 0.691 0.420 0.962 0.808 CB 1.801 27 residues pruned to eliminate duplicates Z: 38 45.844 2.282 0.912 0.611 0.892 0.649 CB 1.743 34 residues pruned to eliminate duplicates Z: 30 72.873 2.531 0.732 0.937 1.000 0.931 CB 2.148 30 residues pruned to eliminate duplicates Z: 15 49.618 2.373 0.937 0.919 1.000 0.857 C 2.032 15 residues pruned to eliminate duplicates Z: 40 71.280 2.533 0.688 0.869 0.923 0.769 C 2.112 40 residues pruned to eliminate duplicates Z: 35 72.553 2.594 0.658 0.875 0.971 0.735 CB 2.168 35 residues pruned to eliminate duplicates Z: 7 6.514 1.901 0.804 0.246 0.833 0.500 CB 1.247 7 residues pruned to eliminate duplicates Z: 31 75.018 2.449 1.002 0.934 0.933 0.800 C 2.087 31 residues pruned to eliminate duplicates Z: 13 38.563 2.458 0.872 0.858 0.833 0.750 CB 2.137 13 residues pruned to eliminate duplicates Z: 36 79.845 2.577 0.734 0.911 0.971 0.857 C 2.203 36 residues pruned to eliminate duplicates Z: 9 13.116 1.898 0.759 0.489 0.875 0.500 CB 1.604 9 residues pruned to eliminate duplicates Z: 45 51.043 2.392 0.671 0.628 0.909 0.682 CB 1.877 36 residues pruned to eliminate duplicates Z: 92 93.319 2.489 0.932 0.625 0.901 0.648 CB 2.006 92 residues pruned to eliminate duplicates Z: 14 35.936 2.140 1.157 0.855 0.923 0.615 CB 1.727 14 residues pruned to eliminate duplicates Z: 30 61.365 2.407 0.805 0.895 0.966 0.759 CB 1.946 30 residues pruned to eliminate duplicates Z: 7 10.254 1.924 0.044 0.839 1.000 0.833 CB 1.557 7 residues pruned to eliminate duplicates Z: 30 61.192 2.529 0.436 0.941 1.000 1.000 C 2.171 30 residues pruned to eliminate duplicates Z: 48 78.207 2.599 0.703 0.741 0.957 0.787 CB 2.170 48 residues pruned to eliminate duplicates Z: 25 56.373 2.418 0.725 0.896 1.000 0.833 CB 1.977 25 residues pruned to eliminate duplicates Z: 11 13.018 2.003 0.872 0.373 0.900 0.600 CB 1.397 11 residues pruned to eliminate duplicates Z: 29 68.405 2.564 0.631 0.930 1.000 0.893 CB 2.161 29 residues pruned to eliminate duplicates Z: 19 45.564 2.584 0.665 0.858 0.944 0.778 CB 1.946 19 residues pruned to eliminate duplicates Z: 10 15.775 1.798 0.840 0.553 1.000 0.444 C 1.509 10 residues pruned to eliminate duplicates Z: 30 69.755 2.534 0.645 0.935 1.000 0.897 C 2.166 30 residues pruned to eliminate duplicates Z: 30 76.422 2.493 0.831 0.946 1.000 0.966 C 2.149 30 residues pruned to eliminate duplicates Z: 30 61.654 2.478 0.565 0.920 1.000 0.897 CB 2.079 30 residues pruned to eliminate duplicates Z: 18 41.277 2.306 0.835 0.852 0.882 0.647 C 1.984 18 residues pruned to eliminate duplicates Z: 31 42.842 2.416 0.914 0.562 0.900 0.600 CB 1.770 28 residues pruned to eliminate duplicates Z: 9 15.517 2.010 0.294 0.833 1.000 1.000 CA 1.582 9 residues pruned to eliminate duplicates Z: 17 40.218 2.487 0.449 0.921 1.000 0.812 CB 1.964 17 residues pruned to eliminate duplicates Z: 37 44.126 2.402 0.858 0.578 0.833 0.611 CB 1.834 37 residues pruned to eliminate duplicates Z: 18 50.844 2.486 0.720 0.895 1.000 0.647 CB 2.067 18 residues pruned to eliminate duplicates Z: 31 66.827 2.453 0.650 0.922 1.000 0.967 CB 2.120 31 residues pruned to eliminate duplicates Z: 29 57.520 2.438 0.750 0.908 0.964 0.750 CB 1.876 29 residues pruned to eliminate duplicates Z: 19 52.275 2.413 1.071 0.870 0.944 0.833 CB 1.905 19 residues pruned to eliminate duplicates Z: 19 41.560 2.293 1.048 0.836 0.889 0.778 C 1.756 19 residues pruned to eliminate duplicates Z: 43 68.770 2.572 0.549 0.788 0.952 0.786 C 2.171 43 residues pruned to eliminate duplicates Z: 91 101.079 2.499 0.973 0.628 0.956 0.600 CB 2.005 91 residues pruned to eliminate duplicates Z: 25 68.630 2.505 0.948 0.926 0.958 0.792 C 2.102 25 residues pruned to eliminate duplicates Z: 9 12.010 1.809 0.448 0.831 0.875 0.625 CB 1.392 9 residues pruned to eliminate duplicates Z: 20 23.818 2.282 0.628 0.391 0.895 0.684 C 1.846 20 residues pruned to eliminate duplicates Z: 18 58.972 2.582 0.895 0.874 1.000 0.706 C 2.129 18 residues pruned to eliminate duplicates Z: 6 15.181 2.519 0.348 0.778 1.000 0.800 CB 1.564 6 residues pruned to eliminate duplicates Z: 37 62.785 2.494 0.831 0.692 0.944 0.806 CB 2.035 37 residues pruned to eliminate duplicates Z: 13 39.910 2.488 0.674 0.851 1.000 0.583 C 2.047 13 residues pruned to eliminate duplicates Z: 61 50.577 2.282 0.781 0.506 0.933 0.717 CB 1.711 61 residues pruned to eliminate duplicates Z: 18 48.592 2.413 0.786 0.850 1.000 0.824 CB 2.026 18 residues pruned to eliminate duplicates Z: 75 85.979 2.504 0.995 0.648 0.865 0.635 C 2.016 75 residues pruned to eliminate duplicates Z: 38 80.445 2.530 0.846 0.874 0.973 0.757 C 2.118 38 residues pruned to eliminate duplicates Z: 8 12.094 2.093 0.092 0.865 1.000 1.000 CB 1.465 8 residues pruned to eliminate duplicates Z: 15 50.608 2.337 1.156 0.886 1.000 0.857 C 1.937 15 residues pruned to eliminate duplicates Z: 28 66.772 2.550 0.823 0.896 0.926 0.852 CB 2.139 28 residues pruned to eliminate duplicates Z: 7 7.785 2.072 0.460 0.297 0.833 0.500 CA 1.583 7 residues pruned to eliminate duplicates Z: 90 123.647 2.638 0.888 0.751 0.966 0.764 C 2.178 90 residues pruned to eliminate duplicates Z: 7 14.248 2.050 0.177 0.870 1.000 0.833 CA 1.759 7 residues pruned to eliminate duplicates Z: 18 33.503 2.341 0.249 0.890 1.000 0.824 C 1.999 18 residues pruned to eliminate duplicates Z: 36 84.998 2.637 0.812 0.894 0.971 0.857 C 2.221 36 residues pruned to eliminate duplicates Z: 26 66.562 2.437 0.956 0.905 0.960 0.760 C 2.070 26 residues pruned to eliminate duplicates Z: 31 68.632 2.417 0.865 0.919 0.967 0.833 CB 2.027 31 residues pruned to eliminate duplicates Z: 10 8.384 1.741 0.768 0.484 0.778 0.556 CA 1.187 10 residues pruned to eliminate duplicates Z: 36 82.993 2.599 0.732 0.909 1.000 0.857 CB 2.212 36 residues pruned to eliminate duplicates Z: 15 17.466 2.177 0.683 0.358 0.857 0.286 C 1.732 15 residues pruned to eliminate duplicates Z: 30 67.020 2.446 0.830 0.873 0.966 0.724 CB 2.097 30 residues pruned to eliminate duplicates Z: 7 9.013 1.427 0.845 0.694 1.000 1.000 CB 1.170 7 residues pruned to eliminate duplicates Z: 7 9.045 1.928 0.557 0.432 0.833 0.500 CB 1.583 6 residues pruned to eliminate duplicates Z: 11 31.848 2.184 0.819 0.870 1.000 0.800 C 1.851 11 residues pruned to eliminate duplicates Z: 12 46.899 2.377 1.179 0.880 1.000 0.636 C 1.978 12 residues pruned to eliminate duplicates Z: 30 70.560 2.457 0.772 0.924 1.000 0.793 C 2.114 30 residues pruned to eliminate duplicates Z: 30 62.668 2.541 0.470 0.930 1.000 0.931 C 2.180 30 residues pruned to eliminate duplicates Z: 28 60.981 2.515 0.740 0.896 0.926 0.741 CB 2.074 28 residues pruned to eliminate duplicates Z: 18 30.114 2.217 0.705 0.724 0.882 0.765 C 1.788 18 residues pruned to eliminate duplicates Z: 17 25.490 2.306 0.557 0.596 0.938 0.812 CB 1.727 17 residues pruned to eliminate duplicates Z: 18 39.354 2.195 0.799 0.801 1.000 0.471 C 1.858 18 residues pruned to eliminate duplicates Z: 19 40.851 2.502 1.080 0.555 0.889 0.722 CB 1.972 20 residues pruned to eliminate duplicates Z: 19 38.026 2.487 0.484 0.836 1.000 0.611 CB 1.817 19 residues pruned to eliminate duplicates Z: 16 34.026 2.330 0.871 0.825 0.933 0.667 CB 1.630 16 residues pruned to eliminate duplicates Z: 22 81.641 2.682 0.977 0.938 1.000 0.857 C 2.335 22 residues pruned to eliminate duplicates Z: 64 73.152 2.374 1.011 0.567 0.921 0.683 CB 1.966 67 residues pruned to eliminate duplicates Z: 13 47.006 2.569 0.873 0.868 1.000 0.833 CB 2.061 13 residues pruned to eliminate duplicates Z: 45 69.978 2.521 1.002 0.597 0.977 0.614 CB 1.950 45 residues pruned to eliminate duplicates Z: 27 34.947 2.339 0.850 0.532 0.885 0.462 CB 1.735 27 residues pruned to eliminate duplicates Z: 69 112.945 2.606 0.943 0.765 0.956 0.735 C 2.236 69 residues pruned to eliminate duplicates Z: 22 32.597 2.300 0.700 0.552 0.905 0.810 C 1.911 22 residues pruned to eliminate duplicates Z: 47 78.077 2.594 0.703 0.785 0.957 0.870 C 2.120 47 residues pruned to eliminate duplicates Z: 18 36.058 2.310 0.477 0.910 1.000 0.706 CB 1.818 18 residues pruned to eliminate duplicates Z: 16 24.875 2.086 0.749 0.749 0.933 0.667 CB 1.510 16 residues pruned to eliminate duplicates Z: 30 63.661 2.484 0.568 0.915 1.000 0.897 CB 2.144 30 residues pruned to eliminate duplicates Z: 6 6.707 1.656 0.080 0.874 1.000 0.800 N 1.220 6 residues pruned to eliminate duplicates Z: 17 47.225 2.578 0.588 0.859 1.000 0.688 CB 2.122 17 residues pruned to eliminate duplicates Z: 8 9.711 2.094 0.277 0.473 0.857 0.429 CA 1.646 8 residues pruned to eliminate duplicates Z: 18 35.908 2.389 0.359 0.878 1.000 0.824 CB 1.945 18 residues pruned to eliminate duplicates Z: 22 36.506 2.262 0.852 0.698 0.905 0.762 CB 1.754 22 residues pruned to eliminate duplicates Z: 42 60.888 2.564 0.809 0.624 0.951 0.659 CB 1.917 42 residues pruned to eliminate duplicates Z: 92 97.135 2.496 0.878 0.637 0.967 0.670 CB 1.977 92 residues pruned to eliminate duplicates Z: 34 50.763 2.347 0.782 0.648 0.909 0.606 C 2.023 34 residues pruned to eliminate duplicates Z: 52 58.718 2.374 0.916 0.549 0.961 0.608 CB 1.793 52 residues pruned to eliminate duplicates Z: 8 17.293 2.127 0.565 0.875 0.857 0.571 CA 1.666 8 residues pruned to eliminate duplicates Z: 30 46.471 2.353 0.754 0.655 0.931 0.690 CB 1.945 29 residues pruned to eliminate duplicates Z: 18 44.407 2.429 0.541 0.891 1.000 0.824 C 2.068 18 residues pruned to eliminate duplicates Z: 77 64.476 2.327 0.866 0.494 0.934 0.684 CB 1.834 77 residues pruned to eliminate duplicates Z: 15 53.207 2.455 0.880 0.919 1.000 0.857 CB 2.171 15 residues pruned to eliminate duplicates Z: 9 11.185 1.992 0.158 0.769 0.875 0.750 CA 1.544 9 residues pruned to eliminate duplicates Z: 58 58.320 2.298 0.841 0.533 1.000 0.719 CB 1.767 58 residues pruned to eliminate duplicates Z: 35 77.125 2.551 0.753 0.892 1.000 0.735 CB 2.125 35 residues pruned to eliminate duplicates Z: 16 19.197 2.119 0.633 0.533 0.867 0.467 CB 1.600 16 residues pruned to eliminate duplicates Z: 18 20.604 2.188 0.608 0.576 0.824 0.588 CB 1.602 18 residues pruned to eliminate duplicates Z: 25 39.958 2.464 0.820 0.616 0.917 0.667 CB 1.778 25 residues pruned to eliminate duplicates Z: 30 36.205 2.241 0.788 0.638 0.828 0.690 CB 1.781 30 residues pruned to eliminate duplicates Z: 15 43.531 2.260 0.928 0.898 1.000 0.714 C 1.909 15 residues pruned to eliminate duplicates Z: 6 3.034 2.079 -0.374 0.294 1.000 0.800 CB 1.314 6 residues pruned to eliminate duplicates Z: 33 55.983 2.522 0.524 0.852 0.938 0.906 CB 2.031 33 residues pruned to eliminate duplicates Z: 15 20.561 2.333 0.617 0.512 0.857 0.714 CB 1.680 15 residues pruned to eliminate duplicates Z: 41 50.747 2.405 0.779 0.638 0.925 0.700 CB 1.783 41 residues pruned to eliminate duplicates Z: 9 23.704 2.095 0.623 0.860 1.000 0.750 CA 1.813 9 residues pruned to eliminate duplicates Z: 6 15.063 2.169 0.804 0.588 1.000 0.600 CA 1.583 6 residues pruned to eliminate duplicates Z: 14 34.019 2.227 1.064 0.836 0.923 0.615 CB 1.664 14 residues pruned to eliminate duplicates Z: 6 2.623 1.566 0.326 0.296 0.600 0.600 CB 1.183 Z: 15 32.177 2.612 0.519 0.554 0.929 0.500 CA 2.214 15 residues pruned to eliminate duplicates Z: 61 78.238 2.534 0.949 0.597 0.967 0.700 CB 1.929 61 residues pruned to eliminate duplicates Z: 38 48.833 2.268 0.937 0.592 0.946 0.676 CB 1.769 38 residues pruned to eliminate duplicates Z: 17 17.136 2.129 0.549 0.464 0.875 0.625 CB 1.539 17 residues pruned to eliminate duplicates Z: 28 55.407 2.485 0.702 0.802 0.963 0.889 CB 2.010 28 residues pruned to eliminate duplicates Z: 18 81.483 2.755 1.341 0.825 1.000 0.706 C 2.313 18 residues pruned to eliminate duplicates Z: 14 18.088 2.347 0.447 0.496 0.923 0.769 CB 1.607 14 residues pruned to eliminate duplicates Z: 9 13.085 2.113 0.561 0.551 0.875 0.750 CB 1.525 9 residues pruned to eliminate duplicates Z: 11 21.275 2.136 0.344 0.890 1.000 0.900 CB 1.686 11 residues pruned to eliminate duplicates Z: 27 44.712 2.256 0.771 0.744 0.962 0.885 CB 1.835 27 residues pruned to eliminate duplicates Z: 10 19.080 2.496 0.919 0.446 0.889 0.444 CB 1.578 10 residues pruned to eliminate duplicates Z: 23 43.709 2.430 0.946 0.635 0.909 0.591 CB 1.910 23 residues pruned to eliminate duplicates Z: 6 9.518 2.140 0.073 0.768 0.800 0.400 CB 1.828 6 residues pruned to eliminate duplicates Z: 27 60.808 2.507 0.821 0.892 0.923 0.692 CB 2.034 27 residues pruned to eliminate duplicates Z: 21 23.107 2.117 0.711 0.414 0.950 0.650 CB 1.644 21 residues pruned to eliminate duplicates Z: 33 66.312 2.418 0.869 0.806 1.000 0.938 CB 1.985 30 residues pruned to eliminate duplicates Z: 51 72.977 2.440 0.983 0.620 0.980 0.640 CB 1.943 51 residues pruned to eliminate duplicates Z: 22 29.904 2.297 0.610 0.557 0.952 0.762 CB 1.752 22 residues pruned to eliminate duplicates Z: 16 22.792 2.057 0.638 0.522 1.000 0.667 CA 1.708 16 residues pruned to eliminate duplicates Z: 15 35.370 2.413 0.604 0.822 0.929 0.500 CB 1.989 15 residues pruned to eliminate duplicates Z: 56 70.353 2.437 1.011 0.590 0.927 0.618 CB 1.915 56 residues pruned to eliminate duplicates Z: 39 73.647 2.525 0.628 0.866 1.000 0.842 CB 2.127 39 residues pruned to eliminate duplicates Z: 31 77.577 2.554 0.961 0.838 1.000 0.933 CB 2.114 32 residues pruned to eliminate duplicates Z: 9 10.339 1.739 0.568 0.395 1.000 0.750 CA 1.497 9 residues pruned to eliminate duplicates Z: 80 81.966 2.422 0.820 0.661 0.924 0.646 CB 1.950 80 residues pruned to eliminate duplicates Z: 6 7.525 1.636 0.297 0.763 1.000 0.600 CB 1.255 6 residues pruned to eliminate duplicates Z: 8 14.528 2.036 0.256 0.844 1.000 1.000 CB 1.598 8 residues pruned to eliminate duplicates Z: 21 21.394 2.080 0.693 0.460 0.950 0.700 CB 1.490 21 residues pruned to eliminate duplicates Z: 16 43.891 2.553 0.545 0.897 0.933 0.867 CB 2.204 16 residues pruned to eliminate duplicates Z: 21 47.541 2.282 1.100 0.833 0.900 0.700 C 1.849 21 residues pruned to eliminate duplicates Z: 19 51.913 2.427 0.756 0.890 1.000 0.889 C 2.065 19 residues pruned to eliminate duplicates Z: 24 45.086 2.480 0.732 0.702 0.913 0.652 CB 1.993 24 residues pruned to eliminate duplicates Z: 16 48.712 2.274 1.149 0.834 1.000 0.400 CB 1.930 16 residues pruned to eliminate duplicates Z: 30 63.246 2.483 0.503 0.949 1.000 1.000 C 2.171 30 residues pruned to eliminate duplicates Z: 14 26.154 2.077 0.345 0.926 1.000 1.000 CA 1.821 14 residues pruned to eliminate duplicates Z: 26 68.038 2.498 0.957 0.846 0.960 0.680 C 2.154 26 residues pruned to eliminate duplicates Z: 45 47.320 2.302 0.769 0.591 0.864 0.591 CB 1.859 44 residues pruned to eliminate duplicates Z: 38 79.025 2.543 0.833 0.839 1.000 0.757 C 2.081 38 residues pruned to eliminate duplicates Z: 44 39.231 2.239 0.830 0.477 0.907 0.605 CB 1.649 44 residues pruned to eliminate duplicates Z: 58 76.272 2.448 0.837 0.746 0.947 0.737 CB 1.902 63 residues pruned to eliminate duplicates Z: 11 7.292 1.746 0.618 0.204 0.800 0.300 CB 1.449 11 residues pruned to eliminate duplicates Z: 17 37.514 2.169 1.006 0.763 1.000 0.875 CB 1.707 17 residues pruned to eliminate duplicates Z: 13 28.967 2.267 0.457 0.871 1.000 0.917 CB 1.846 13 residues pruned to eliminate duplicates Z: 21 35.036 2.223 0.741 0.686 1.000 0.800 CB 1.707 21 residues pruned to eliminate duplicates Z: 45 58.198 2.314 0.900 0.647 0.955 0.705 CB 1.824 45 residues pruned to eliminate duplicates Z: 22 41.068 2.373 0.729 0.738 0.952 0.810 CB 1.852 21 residues pruned to eliminate duplicates Z: 9 19.230 2.029 1.304 0.482 0.875 0.750 CB 1.692 9 residues pruned to eliminate duplicates Z: 14 24.450 2.309 0.826 0.491 0.846 0.692 CB 1.917 14 residues pruned to eliminate duplicates Z: 13 44.842 2.426 0.983 0.904 1.000 0.917 CB 1.917 13 residues pruned to eliminate duplicates Z: 29 69.191 2.538 0.731 0.901 1.000 0.750 C 2.125 29 residues pruned to eliminate duplicates Z: 32 83.372 2.763 0.962 0.751 0.935 0.742 C 2.359 33 residues pruned to eliminate duplicates Z: 13 14.181 1.910 1.132 0.415 0.750 0.583 C 1.465 13 residues pruned to eliminate duplicates Z: 7 3.614 1.533 0.136 0.309 1.000 0.500 CA 1.047 6 residues pruned to eliminate duplicates Z: 16 12.750 1.871 0.494 0.445 0.867 0.667 C 1.437 16 residues pruned to eliminate duplicates Z: 109 110.982 2.498 0.867 0.672 0.954 0.676 CB 2.049 113 residues pruned to eliminate duplicates Z: 11 17.220 2.078 0.759 0.433 1.000 0.700 CB 1.597 11 residues pruned to eliminate duplicates Z: 82 69.139 2.363 0.932 0.521 0.914 0.679 CB 1.803 82 residues pruned to eliminate duplicates Z: 15 36.920 2.300 0.588 0.904 1.000 0.857 CB 1.923 15 residues pruned to eliminate duplicates Z: 17 67.386 2.765 1.108 0.822 0.938 0.875 CB 2.332 17 residues pruned to eliminate duplicates Z: 15 37.214 2.284 0.700 0.892 0.929 0.929 C 1.981 15 residues pruned to eliminate duplicates Z: 34 60.689 2.497 1.041 0.614 0.939 0.606 CB 1.981 34 residues pruned to eliminate duplicates Z: 29 44.581 2.403 0.679 0.693 0.929 0.679 CB 1.885 29 residues pruned to eliminate duplicates Z: 19 34.980 2.527 0.615 0.601 0.944 0.833 CB 1.943 19 residues pruned to eliminate duplicates Z: 7 7.665 1.651 0.341 0.639 1.000 0.833 C 1.241 7 residues pruned to eliminate duplicates Z: 12 35.314 2.459 0.611 0.858 0.909 0.818 C 2.178 12 residues pruned to eliminate duplicates Z: 27 56.278 2.369 0.895 0.778 1.000 0.885 CB 1.924 27 residues pruned to eliminate duplicates Z: 18 43.767 2.405 0.543 0.906 1.000 0.882 CB 2.035 18 residues pruned to eliminate duplicates Z: 21 83.034 2.698 1.021 0.944 1.000 1.000 CB 2.358 21 residues pruned to eliminate duplicates Z: 6 3.162 1.630 0.565 0.350 0.600 0.400 CB 1.087 6 residues pruned to eliminate duplicates Z: 45 54.573 2.320 1.110 0.553 0.932 0.705 CB 1.713 45 residues pruned to eliminate duplicates Z: 25 38.035 2.498 0.817 0.475 0.958 0.542 CB 1.831 25 residues pruned to eliminate duplicates Z: 44 47.348 2.317 0.642 0.664 0.884 0.558 CB 1.844 44 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.485 1.511 0.724 0.302 1.000 0.800 CB 0.746 6 residues pruned to eliminate duplicates Z: 56 40.929 2.210 0.728 0.479 0.909 0.618 CB 1.623 56 residues pruned to eliminate duplicates Z: 10 11.403 1.653 1.345 0.392 0.889 0.444 CA 1.236 10 residues pruned to eliminate duplicates Z: 27 40.617 2.385 0.657 0.688 0.885 0.615 CB 1.918 27 residues pruned to eliminate duplicates Z: 27 43.484 2.486 0.601 0.703 0.962 0.615 CB 1.852 27 residues pruned to eliminate duplicates Z: 24 39.236 2.433 0.534 0.733 0.957 0.696 CB 1.859 24 residues pruned to eliminate duplicates Z: 25 39.770 2.488 0.509 0.761 0.917 0.750 CB 1.870 25 residues pruned to eliminate duplicates Z: 30 34.393 2.314 0.623 0.630 0.897 0.517 CB 1.678 30 residues pruned to eliminate duplicates Z: 28 44.234 2.414 0.602 0.686 0.963 0.667 CB 1.928 28 residues pruned to eliminate duplicates Z: 30 30.492 2.244 0.434 0.629 0.862 0.552 C 1.808 30 residues pruned to eliminate duplicates Z: 29 40.306 2.308 0.846 0.666 0.857 0.536 CB 1.788 29 residues pruned to eliminate duplicates Z: 134 97.860 2.399 0.862 0.588 0.947 0.654 CB 1.844 134 residues pruned to eliminate duplicates Z: 30 39.871 2.309 0.690 0.640 0.966 0.724 CB 1.723 30 residues pruned to eliminate duplicates Z: 16 50.047 2.581 0.710 0.901 1.000 0.667 CB 2.090 16 residues pruned to eliminate duplicates Z: 26 50.376 2.410 0.850 0.724 0.960 0.640 CB 1.924 26 residues pruned to eliminate duplicates Z: 24 38.449 2.407 0.691 0.673 0.957 0.652 CB 1.755 24 residues pruned to eliminate duplicates Z: 23 41.548 2.464 0.726 0.696 0.864 0.591 CB 2.017 23 residues pruned to eliminate duplicates Z: 27 41.480 2.413 0.681 0.726 0.885 0.577 CB 1.849 27 residues pruned to eliminate duplicates Z: 29 36.821 2.313 0.713 0.639 0.857 0.500 CB 1.799 29 residues pruned to eliminate duplicates Z: 28 37.712 2.324 0.576 0.696 0.889 0.630 CB 1.863 28 residues pruned to eliminate duplicates Z: 23 42.524 2.460 0.754 0.696 0.909 0.636 CB 1.934 23 residues pruned to eliminate duplicates Z: 41 58.522 2.452 0.824 0.656 0.950 0.675 CB 1.883 41 residues pruned to eliminate duplicates Z: 37 49.060 2.369 0.876 0.620 0.944 0.611 CB 1.740 37 residues pruned to eliminate duplicates Z: 32 44.196 2.431 0.720 0.642 0.903 0.613 CB 1.840 32 residues pruned to eliminate duplicates Z: 28 41.785 2.362 0.758 0.622 0.926 0.704 CB 1.864 28 residues pruned to eliminate duplicates Z: 12 21.606 2.150 0.902 0.447 1.000 0.636 C 1.682 12 residues pruned to eliminate duplicates Z: 40 65.463 2.525 0.933 0.663 0.949 0.667 CB 1.947 40 residues pruned to eliminate duplicates Z: 30 45.095 2.527 0.729 0.629 0.931 0.621 CB 1.824 30 residues pruned to eliminate duplicates Z: 11 22.162 2.352 0.924 0.437 0.900 0.700 CB 1.836 11 residues pruned to eliminate duplicates Z: 34 43.638 2.369 0.687 0.590 0.939 0.515 CB 1.856 34 residues pruned to eliminate duplicates Z: 19 37.545 2.432 0.971 0.576 0.944 0.778 CB 1.817 19 residues pruned to eliminate duplicates Z: 18 40.446 2.475 1.050 0.611 0.941 0.765 CB 1.849 18 residues pruned to eliminate duplicates Z: 56 60.462 2.310 0.907 0.528 0.982 0.655 CB 1.834 56 residues pruned to eliminate duplicates Z: 71 67.404 2.361 0.890 0.536 0.957 0.743 CB 1.821 71 residues pruned to eliminate duplicates Z: 33 51.233 2.490 0.630 0.672 1.000 0.750 CB 1.905 33 residues pruned to eliminate duplicates Z: 44 53.241 2.450 0.723 0.602 0.930 0.791 CB 1.876 44 residues pruned to eliminate duplicates Z: 15 21.967 2.334 0.416 0.586 0.857 0.643 CB 1.908 15 residues pruned to eliminate duplicates Z: 45 55.052 2.482 0.710 0.619 0.932 0.682 CB 1.876 45 residues pruned to eliminate duplicates Z: 19 22.737 2.409 0.467 0.536 0.944 0.778 CB 1.550 19 residues pruned to eliminate duplicates Z: 82 72.217 2.430 0.800 0.587 0.938 0.704 CB 1.799 82 residues pruned to eliminate duplicates Z: 63 51.884 2.310 0.835 0.528 0.903 0.613 CB 1.675 63 residues pruned to eliminate duplicates Z: 64 51.452 2.281 0.862 0.486 0.889 0.667 CB 1.742 64 residues pruned to eliminate duplicates Z: 60 63.798 2.395 0.881 0.551 0.966 0.729 CB 1.816 60 residues pruned to eliminate duplicates Z: 82 69.008 2.411 0.843 0.580 0.901 0.667 CB 1.773 82 residues pruned to eliminate duplicates Z: 54 55.087 2.290 0.906 0.523 0.962 0.717 CB 1.761 54 residues pruned to eliminate duplicates Z: 60 50.521 2.312 0.793 0.491 0.932 0.593 CB 1.717 60 residues pruned to eliminate duplicates Z: 62 59.025 2.327 0.889 0.513 0.967 0.639 CB 1.756 62 residues pruned to eliminate duplicates Z: 21 26.495 2.184 0.956 0.409 0.950 0.450 CB 1.607 21 residues pruned to eliminate duplicates Z: 44 51.224 2.320 0.901 0.555 0.953 0.651 CB 1.761 44 residues pruned to eliminate duplicates Z: 45 51.984 2.277 1.037 0.565 0.932 0.682 CB 1.702 45 residues pruned to eliminate duplicates Z: 43 48.925 2.277 1.043 0.556 0.857 0.524 CB 1.794 43 residues pruned to eliminate duplicates Z: 70 63.056 2.384 0.758 0.537 0.986 0.710 CB 1.772 70 residues pruned to eliminate duplicates Z: 44 46.499 2.320 0.934 0.541 0.907 0.674 CB 1.675 44 residues pruned to eliminate duplicates Z: 60 52.696 2.217 0.978 0.478 0.949 0.644 CB 1.685 60 residues pruned to eliminate duplicates Z: 61 52.172 2.335 0.819 0.504 0.917 0.650 CB 1.723 61 residues pruned to eliminate duplicates Z: 82 60.535 2.262 0.849 0.475 0.963 0.617 CB 1.714 82 residues pruned to eliminate duplicates Z: 63 52.614 2.332 0.850 0.495 0.919 0.597 CB 1.694 63 residues pruned to eliminate duplicates Z: 53 53.021 2.329 0.856 0.566 0.923 0.615 CB 1.728 53 residues pruned to eliminate duplicates Z: 77 67.398 2.364 0.928 0.512 0.947 0.605 CB 1.768 77 residues pruned to eliminate duplicates Z: 43 53.828 2.383 1.004 0.556 0.929 0.690 CB 1.775 43 residues pruned to eliminate duplicates Z: 44 50.290 2.309 1.022 0.546 0.884 0.698 CB 1.778 44 residues pruned to eliminate duplicates Z: 70 57.927 2.348 0.779 0.525 0.957 0.696 CB 1.703 70 residues pruned to eliminate duplicates Z: 82 70.741 2.449 0.779 0.622 0.914 0.741 CB 1.760 82 residues pruned to eliminate duplicates Z: 60 50.234 2.282 0.890 0.496 0.898 0.627 CB 1.694 60 residues pruned to eliminate duplicates Z: 63 52.379 2.278 0.900 0.488 0.919 0.661 CB 1.692 63 residues pruned to eliminate duplicates Z: 70 65.739 2.381 0.935 0.526 0.928 0.725 CB 1.804 70 residues pruned to eliminate duplicates Z: 27 40.328 2.342 0.989 0.588 0.846 0.692 CB 1.844 27 residues pruned to eliminate duplicates Z: 53 58.866 2.313 1.034 0.568 0.942 0.654 CB 1.724 53 residues pruned to eliminate duplicates Z: 61 59.423 2.319 0.984 0.498 0.950 0.683 CB 1.758 61 residues pruned to eliminate duplicates Z: 40 57.041 2.458 0.902 0.565 0.949 0.718 CB 1.933 40 residues pruned to eliminate duplicates Z: 45 54.374 2.266 1.082 0.553 0.955 0.682 CB 1.728 45 residues pruned to eliminate duplicates Z: 61 59.608 2.327 0.945 0.526 0.950 0.733 CB 1.744 61 residues pruned to eliminate duplicates Z: 45 50.679 2.306 1.054 0.527 0.932 0.614 CB 1.686 45 residues pruned to eliminate duplicates Z: 61 57.427 2.316 0.952 0.508 0.950 0.683 CB 1.712 61 residues pruned to eliminate duplicates Z: 45 54.099 2.270 1.131 0.574 0.932 0.705 CB 1.685 45 residues pruned to eliminate duplicates Z: 55 61.730 2.336 0.995 0.550 0.963 0.574 CB 1.782 55 residues pruned to eliminate duplicates Z: 25 35.874 2.340 0.762 0.421 1.000 0.667 CB 1.929 25 residues pruned to eliminate duplicates Z: 52 57.143 2.352 1.030 0.583 0.882 0.667 CB 1.753 52 residues pruned to eliminate duplicates Z: 46 48.374 2.253 0.914 0.540 0.933 0.667 CB 1.723 46 residues pruned to eliminate duplicates Z: 97 74.093 2.414 0.834 0.544 0.917 0.656 CB 1.786 97 residues pruned to eliminate duplicates Z: 62 51.703 2.300 0.951 0.467 0.918 0.656 CB 1.661 62 residues pruned to eliminate duplicates Z: 24 27.289 2.302 0.597 0.375 1.000 0.565 CB 1.769 24 residues pruned to eliminate duplicates Z: 42 46.884 2.360 0.835 0.510 0.927 0.634 CB 1.807 42 residues pruned to eliminate duplicates Z: 99 73.969 2.395 0.783 0.564 0.949 0.735 CB 1.732 99 residues pruned to eliminate duplicates Z: 42 53.681 2.392 0.909 0.521 0.951 0.610 CB 1.891 42 residues pruned to eliminate duplicates Z: 100 84.116 2.406 0.968 0.525 0.949 0.626 CB 1.835 100 residues pruned to eliminate duplicates Z: 101 104.316 2.513 0.851 0.673 0.940 0.700 CB 2.034 101 residues pruned to eliminate duplicates Z: 67 54.494 2.267 0.889 0.471 0.955 0.606 CB 1.689 67 residues pruned to eliminate duplicates Z: 44 46.296 2.320 0.868 0.528 0.930 0.628 CB 1.703 44 residues pruned to eliminate duplicates Z: 28 30.648 2.331 0.692 0.403 0.963 0.667 CB 1.720 28 residues pruned to eliminate duplicates Z: 94 100.180 2.520 0.822 0.639 0.935 0.720 CB 2.122 94 residues pruned to eliminate duplicates Z: 77 71.681 2.397 0.987 0.520 0.934 0.697 CB 1.812 77 residues pruned to eliminate duplicates Z: 81 95.933 2.503 0.821 0.666 0.963 0.688 CB 2.098 81 residues pruned to eliminate duplicates Z: 63 58.248 2.272 1.008 0.516 0.935 0.694 CB 1.706 63 residues pruned to eliminate duplicates Z: 60 56.760 2.320 0.946 0.499 0.932 0.627 CB 1.758 60 residues pruned to eliminate duplicates Z: 23 30.234 2.388 0.707 0.391 0.955 0.591 CB 1.859 23 residues pruned to eliminate duplicates Z: 61 53.834 2.313 0.902 0.488 0.933 0.683 CB 1.712 61 residues pruned to eliminate duplicates Z: 61 59.692 2.335 0.922 0.507 0.967 0.667 CB 1.764 61 residues pruned to eliminate duplicates Z: 27 25.446 2.225 0.604 0.340 0.962 0.538 CB 1.732 27 residues pruned to eliminate duplicates Z: 34 67.266 2.527 0.757 0.831 0.970 0.909 CB 2.044 34 residues pruned to eliminate duplicates Z: 34 53.051 2.514 0.411 0.824 0.970 0.879 CB 2.028 34 residues pruned to eliminate duplicates Z: 31 73.589 2.523 0.738 0.915 1.000 0.933 C 2.166 31 residues pruned to eliminate duplicates Z: 32 66.042 2.564 0.624 0.871 1.000 0.935 CB 2.078 32 residues pruned to eliminate duplicates Z: 34 55.809 2.440 0.546 0.824 0.970 0.879 CB 2.005 34 residues pruned to eliminate duplicates Z: 35 55.125 2.452 0.541 0.800 0.971 0.941 CB 1.983 35 residues pruned to eliminate duplicates Z: 33 75.343 2.550 0.827 0.847 1.000 0.906 CB 2.122 33 residues pruned to eliminate duplicates Z: 34 66.596 2.492 0.773 0.823 0.970 0.879 CB 2.045 34 residues pruned to eliminate duplicates Z: 34 60.404 2.501 0.668 0.824 0.939 0.879 CB 2.028 34 residues pruned to eliminate duplicates Z: 34 64.454 2.497 0.708 0.831 0.970 0.909 CB 2.038 34 residues pruned to eliminate duplicates Z: 31 82.561 2.467 1.037 0.942 1.000 0.900 C 2.079 34 residues pruned to eliminate duplicates Z: 31 65.083 2.437 0.625 0.930 1.000 0.900 C 2.098 31 residues pruned to eliminate duplicates Z: 32 74.674 2.558 0.795 0.878 1.000 1.000 CB 2.120 32 residues pruned to eliminate duplicates Z: 36 66.287 2.429 0.817 0.788 0.971 0.829 CB 2.028 36 residues pruned to eliminate duplicates Z: 34 67.388 2.489 0.860 0.824 0.939 0.818 CB 2.036 34 residues pruned to eliminate duplicates Z: 33 69.765 2.517 0.752 0.853 1.000 0.875 CB 2.068 33 residues pruned to eliminate duplicates Z: 34 69.905 2.503 0.846 0.830 0.970 0.818 CB 2.042 34 residues pruned to eliminate duplicates Z: 34 71.268 2.502 0.880 0.830 0.970 0.909 CB 2.045 34 residues pruned to eliminate duplicates Z: 33 82.462 2.537 1.015 0.848 1.000 0.938 CB 2.115 33 residues pruned to eliminate duplicates Z: 34 68.765 2.482 0.826 0.829 0.970 0.879 CB 2.050 34 residues pruned to eliminate duplicates Z: 34 66.954 2.469 0.803 0.825 0.970 0.879 CB 2.038 34 residues pruned to eliminate duplicates Z: 34 73.037 2.524 0.903 0.824 0.970 0.818 CB 2.062 34 residues pruned to eliminate duplicates Z: 33 74.781 2.528 1.005 0.850 0.938 0.812 CB 2.061 33 residues pruned to eliminate duplicates Z: 34 74.565 2.494 0.997 0.818 0.970 0.818 CB 2.039 34 residues pruned to eliminate duplicates Z: 33 83.817 2.507 1.182 0.853 0.969 0.781 CB 2.066 33 residues pruned to eliminate duplicates Z: 33 79.844 2.530 1.116 0.848 0.938 0.750 CB 2.085 33 residues pruned to eliminate duplicates Z: 33 85.331 2.500 1.247 0.850 0.969 0.750 CB 2.054 33 residues pruned to eliminate duplicates Z: 33 84.427 2.516 1.185 0.858 0.969 0.906 CB 2.064 33 residues pruned to eliminate duplicates Z: 34 75.869 2.468 1.024 0.830 0.970 0.818 CB 2.050 34 residues pruned to eliminate duplicates Z: 34 73.592 2.511 0.934 0.826 0.970 0.879 CB 2.052 34 residues pruned to eliminate duplicates Z: 35 72.788 2.396 1.002 0.828 0.971 0.765 CB 2.019 35 residues pruned to eliminate duplicates Z: 88 117.539 2.655 0.858 0.784 0.908 0.713 C 2.192 88 residues pruned to eliminate duplicates Z: 71 101.631 2.615 0.858 0.748 0.929 0.729 C 2.156 71 residues pruned to eliminate duplicates Z: 69 104.648 2.647 0.898 0.744 0.912 0.706 C 2.227 69 residues pruned to eliminate duplicates Z: 61 103.371 2.614 0.834 0.814 0.983 0.733 C 2.154 61 residues pruned to eliminate duplicates Z: 71 112.276 2.682 0.892 0.770 0.929 0.743 CB 2.242 71 residues pruned to eliminate duplicates Z: 60 105.357 2.637 0.952 0.811 0.915 0.712 C 2.220 60 residues pruned to eliminate duplicates Z: 71 124.576 2.666 0.997 0.779 0.971 0.657 C 2.251 71 residues pruned to eliminate duplicates Z: 73 109.242 2.626 0.888 0.756 0.972 0.694 CB 2.127 73 residues pruned to eliminate duplicates Z: 71 114.758 2.664 0.933 0.758 0.957 0.686 CB 2.211 71 residues pruned to eliminate duplicates Z: 74 107.941 2.593 0.919 0.725 0.945 0.671 C 2.193 74 residues pruned to eliminate duplicates Z: 59 117.994 2.691 0.964 0.843 0.983 0.707 C 2.222 59 residues pruned to eliminate duplicates Z: 69 131.962 2.720 1.048 0.798 0.971 0.647 C 2.281 69 residues pruned to eliminate duplicates Z: 59 110.276 2.686 0.808 0.838 0.983 0.690 C 2.267 59 residues pruned to eliminate duplicates Z: 58 116.341 2.698 0.940 0.843 0.965 0.684 C 2.272 58 residues pruned to eliminate duplicates Z: 60 103.977 2.674 0.797 0.812 0.966 0.763 C 2.224 60 residues pruned to eliminate duplicates Z: 20 97.091 2.857 1.399 0.898 0.947 0.737 C 2.455 20 residues pruned to eliminate duplicates Z: 81 113.736 2.600 0.848 0.758 0.963 0.625 C 2.186 81 residues pruned to eliminate duplicates Z: 70 114.570 2.664 0.964 0.747 0.957 0.580 C 2.210 70 residues pruned to eliminate duplicates Z: 72 118.669 2.641 0.978 0.756 0.972 0.718 C 2.209 72 residues pruned to eliminate duplicates Z: 38 85.972 2.636 1.125 0.750 0.919 0.514 CB 2.196 38 residues pruned to eliminate duplicates Z: 61 112.407 2.676 0.882 0.810 0.983 0.633 C 2.237 61 residues pruned to eliminate duplicates Z: 42 71.094 2.549 0.745 0.767 0.927 0.659 C 2.125 42 residues pruned to eliminate duplicates Z: 73 103.143 2.573 0.931 0.721 0.944 0.681 C 2.122 73 residues pruned to eliminate duplicates Z: 64 94.854 2.588 0.879 0.717 0.952 0.714 C 2.120 64 residues pruned to eliminate duplicates Z: 41 77.792 2.505 0.746 0.856 0.975 0.775 CB 2.127 41 residues pruned to eliminate duplicates Z: 60 108.745 2.670 0.916 0.810 0.932 0.746 C 2.266 60 residues pruned to eliminate duplicates Z: 59 117.478 2.697 0.907 0.823 1.000 0.776 C 2.267 59 residues pruned to eliminate duplicates Z: 86 128.953 2.604 1.111 0.743 0.941 0.659 C 2.176 86 residues pruned to eliminate duplicates Z: 72 122.586 2.638 1.011 0.771 0.972 0.732 C 2.220 72 residues pruned to eliminate duplicates Z: 68 100.136 2.588 0.994 0.743 0.896 0.642 C 2.128 68 residues pruned to eliminate duplicates Z: 70 123.651 2.687 0.980 0.772 0.971 0.710 C 2.266 70 residues pruned to eliminate duplicates Z: 46 81.430 2.643 0.742 0.785 0.933 0.822 C 2.199 46 residues pruned to eliminate duplicates Z: 59 114.297 2.688 0.920 0.825 0.966 0.724 C 2.273 59 residues pruned to eliminate duplicates Z: 71 108.863 2.634 0.904 0.754 0.929 0.729 C 2.228 71 residues pruned to eliminate duplicates Z: 47 87.559 2.600 0.831 0.770 0.978 0.826 CB 2.183 47 residues pruned to eliminate duplicates Z: 60 115.173 2.660 0.975 0.803 0.983 0.729 C 2.228 60 residues pruned to eliminate duplicates Z: 48 87.597 2.601 0.866 0.750 0.979 0.745 C 2.152 48 residues pruned to eliminate duplicates Z: 72 120.169 2.646 1.000 0.750 0.972 0.662 C 2.218 72 residues pruned to eliminate duplicates Z: 62 104.496 2.587 0.923 0.765 0.984 0.721 CB 2.160 62 residues pruned to eliminate duplicates Z: 69 121.823 2.688 0.968 0.787 0.956 0.779 C 2.269 69 residues pruned to eliminate duplicates Z: 70 119.507 2.682 0.925 0.755 0.986 0.754 C 2.254 70 residues pruned to eliminate duplicates Z: 61 107.441 2.598 1.075 0.795 0.917 0.733 C 2.167 61 residues pruned to eliminate duplicates Z: 57 127.243 2.761 0.988 0.852 1.000 0.768 C 2.291 57 residues pruned to eliminate duplicates Z: 41 71.839 2.526 0.800 0.762 0.950 0.725 C 2.084 41 residues pruned to eliminate duplicates Z: 59 128.301 2.739 0.993 0.829 1.000 0.759 C 2.323 59 residues pruned to eliminate duplicates Z: 69 126.352 2.715 0.959 0.784 0.985 0.794 C 2.278 69 residues pruned to eliminate duplicates Z: 71 120.112 2.686 0.961 0.758 0.957 0.814 CB 2.263 71 residues pruned to eliminate duplicates Z: 61 113.809 2.618 1.007 0.793 0.967 0.717 C 2.236 61 residues pruned to eliminate duplicates Z: 49 78.958 2.605 0.789 0.731 0.917 0.750 C 2.167 49 residues pruned to eliminate duplicates Z: 58 117.944 2.704 0.922 0.842 0.982 0.789 C 2.279 58 residues pruned to eliminate duplicates Z: 59 128.023 2.727 1.068 0.824 0.983 0.776 C 2.291 59 residues pruned to eliminate duplicates Z: 36 72.625 2.551 0.727 0.865 0.943 0.829 CA 2.166 36 residues pruned to eliminate duplicates Z: 59 115.892 2.701 0.932 0.822 0.966 0.810 C 2.286 59 residues pruned to eliminate duplicates Z: 89 133.907 2.651 1.034 0.777 0.943 0.659 C 2.199 89 residues pruned to eliminate duplicates Z: 52 72.629 2.500 0.793 0.708 0.922 0.706 C 2.039 52 residues pruned to eliminate duplicates Z: 70 116.108 2.666 0.911 0.774 0.971 0.739 C 2.218 70 residues pruned to eliminate duplicates Z: 71 114.119 2.648 0.904 0.757 0.971 0.786 C 2.215 71 residues pruned to eliminate duplicates Z: 70 121.525 2.672 1.007 0.764 0.957 0.623 CB 2.255 70 residues pruned to eliminate duplicates Z: 16 29.152 2.352 0.759 0.460 1.000 0.733 CB 1.896 16 residues pruned to eliminate duplicates Z: 85 126.733 2.676 0.975 0.758 0.940 0.714 CB 2.212 85 residues pruned to eliminate duplicates Z: 68 119.330 2.690 0.904 0.783 0.985 0.716 C 2.252 68 residues pruned to eliminate duplicates Z: 83 128.393 2.684 0.998 0.752 0.939 0.732 C 2.248 83 residues pruned to eliminate duplicates Z: 71 112.893 2.671 0.839 0.768 0.986 0.743 CB 2.198 71 residues pruned to eliminate duplicates Z: 71 115.944 2.656 0.912 0.751 0.971 0.657 C 2.245 71 residues pruned to eliminate duplicates Z: 71 114.982 2.656 0.921 0.758 0.971 0.686 CB 2.204 71 residues pruned to eliminate duplicates Z: 71 121.449 2.655 0.961 0.775 0.986 0.786 C 2.218 71 residues pruned to eliminate duplicates Z: 85 127.605 2.662 0.983 0.769 0.952 0.774 C 2.183 85 residues pruned to eliminate duplicates Z: 16 39.796 2.451 1.034 0.749 0.933 0.400 CB 1.768 16 residues pruned to eliminate duplicates Z: 62 100.291 2.634 0.861 0.762 0.951 0.721 CB 2.184 62 residues pruned to eliminate duplicates Z: 33 54.763 2.511 0.964 0.591 0.875 0.656 CB 2.056 33 residues pruned to eliminate duplicates Z: 84 124.124 2.689 0.845 0.775 0.964 0.711 CB 2.235 84 residues pruned to eliminate duplicates Z: 102 130.917 2.671 0.911 0.717 0.950 0.693 CB 2.205 102 residues pruned to eliminate duplicates Z: 82 130.754 2.714 0.997 0.772 0.926 0.728 CB 2.276 82 residues pruned to eliminate duplicates Z: 16 44.479 2.500 1.337 0.690 0.867 0.600 CB 1.907 16 residues pruned to eliminate duplicates Z: 19 56.426 2.579 1.264 0.722 0.944 0.611 CB 1.974 19 residues pruned to eliminate duplicates Z: 15 59.845 2.686 1.533 0.763 0.929 0.786 CB 2.005 15 residues pruned to eliminate duplicates Z: 17 41.756 2.491 1.263 0.670 0.812 0.688 CB 1.947 17 residues pruned to eliminate duplicates Z: 15 35.331 2.566 1.182 0.621 0.857 0.571 CB 1.755 15 residues pruned to eliminate duplicates Z: 84 119.441 2.665 0.948 0.735 0.928 0.735 CB 2.203 84 residues pruned to eliminate duplicates Z: 15 34.366 2.590 1.279 0.626 0.786 0.571 CB 1.758 15 residues pruned to eliminate duplicates Z: 22 27.692 2.380 1.107 0.481 0.762 0.524 CB 1.613 22 residues pruned to eliminate duplicates Z: 8 10.701 2.175 0.477 0.537 0.714 0.429 CA 1.701 8 residues pruned to eliminate duplicates Z: 35 52.884 2.525 0.741 0.622 0.882 0.588 CB 2.085 35 residues pruned to eliminate duplicates Z: 21 44.080 2.625 0.837 0.526 0.950 0.750 C 2.098 21 residues pruned to eliminate duplicates Z: 21 46.001 2.669 0.625 0.549 1.000 0.500 C 2.260 21 residues pruned to eliminate duplicates Z: 104 128.294 2.640 0.855 0.726 0.961 0.709 CB 2.191 104 residues pruned to eliminate duplicates Z: 102 141.830 2.690 0.987 0.750 0.950 0.733 C 2.222 102 residues pruned to eliminate duplicates Z: 22 29.051 2.425 0.523 0.498 0.857 0.571 CB 2.007 22 residues pruned to eliminate duplicates Z: 81 107.729 2.609 0.818 0.734 0.950 0.725 C 2.167 81 residues pruned to eliminate duplicates Z: 17 23.813 2.400 0.771 0.364 0.875 0.562 C 1.854 17 residues pruned to eliminate duplicates Z: 36 61.082 2.623 0.956 0.551 0.914 0.600 CB 2.094 36 residues pruned to eliminate duplicates Z: 35 63.174 2.589 0.980 0.611 0.912 0.588 C 2.086 35 residues pruned to eliminate duplicates Z: 25 29.013 2.329 0.542 0.458 0.875 0.583 CB 1.968 25 residues pruned to eliminate duplicates Z: 22 43.437 2.544 0.871 0.571 0.905 0.571 C 2.056 22 residues pruned to eliminate duplicates Z: 22 33.352 2.507 0.646 0.515 0.857 0.619 CB 2.027 22 residues pruned to eliminate duplicates Z: 20 34.281 2.409 0.851 0.435 0.947 0.684 C 1.992 20 residues pruned to eliminate duplicates Z: 20 34.867 2.470 0.874 0.378 0.947 0.526 C 2.078 20 residues pruned to eliminate duplicates Z: 37 57.840 2.538 0.876 0.612 0.917 0.556 CB 1.986 37 residues pruned to eliminate duplicates Z: 40 50.144 2.502 0.777 0.589 0.897 0.590 CB 1.847 40 residues pruned to eliminate duplicates Z: 105 124.126 2.652 0.822 0.727 0.962 0.750 CB 2.134 105 residues pruned to eliminate duplicates Z: 57 67.707 2.548 0.756 0.592 0.893 0.625 CB 2.074 57 residues pruned to eliminate duplicates Z: 27 36.086 2.572 0.637 0.544 0.808 0.615 CB 1.994 27 residues pruned to eliminate duplicates Z: 19 32.976 2.370 1.045 0.480 0.889 0.556 CB 1.841 19 residues pruned to eliminate duplicates Z: 11 9.618 2.388 0.470 0.336 0.700 0.300 CB 1.480 11 residues pruned to eliminate duplicates Z: 19 38.617 2.471 0.673 0.633 1.000 0.722 CB 1.943 19 residues pruned to eliminate duplicates Z: 19 38.528 2.455 0.867 0.555 1.000 0.778 CB 1.878 19 residues pruned to eliminate duplicates Z: 92 99.993 2.503 0.883 0.647 0.945 0.681 C 2.052 93 residues pruned to eliminate duplicates Z: 6 5.980 1.928 0.068 0.405 1.000 0.600 CB 1.437 6 residues pruned to eliminate duplicates Z: 74 85.753 2.483 0.832 0.658 0.959 0.699 CB 1.986 74 residues pruned to eliminate duplicates Z: 17 39.340 2.452 0.927 0.537 1.000 0.688 CB 2.008 17 residues pruned to eliminate duplicates Z: 92 97.810 2.495 0.963 0.616 0.945 0.637 CB 1.985 92 residues pruned to eliminate duplicates Z: 71 84.589 2.527 0.927 0.630 0.929 0.657 CB 1.978 71 residues pruned to eliminate duplicates Z: 18 33.527 2.370 0.827 0.533 0.941 0.647 CB 1.931 18 residues pruned to eliminate duplicates Z: 37 60.487 2.543 0.809 0.647 0.944 0.694 CB 2.023 37 residues pruned to eliminate duplicates Z: 38 43.236 2.349 0.808 0.467 0.919 0.703 CB 1.883 38 residues pruned to eliminate duplicates Z: 41 54.825 2.562 0.847 0.486 0.925 0.575 CB 2.009 41 residues pruned to eliminate duplicates Z: 38 53.747 2.454 0.762 0.637 0.919 0.622 CB 1.956 38 residues pruned to eliminate duplicates Z: 23 52.833 2.573 0.911 0.703 1.000 0.636 CB 1.904 23 residues pruned to eliminate duplicates Z: 52 63.830 2.494 0.878 0.591 0.902 0.686 CB 1.940 52 residues pruned to eliminate duplicates Z: 50 71.610 2.555 0.841 0.600 0.959 0.592 CB 2.060 50 residues pruned to eliminate duplicates Z: 26 47.395 2.505 0.815 0.677 0.920 0.760 CB 1.925 26 residues pruned to eliminate duplicates Z: 36 56.723 2.522 0.868 0.604 0.943 0.657 CB 1.956 36 residues pruned to eliminate duplicates Z: 91 98.880 2.514 1.002 0.625 0.911 0.611 CB 2.019 91 residues pruned to eliminate duplicates Z: 27 54.102 2.503 1.085 0.652 0.885 0.654 CB 1.995 27 residues pruned to eliminate duplicates Z: 34 77.087 2.652 1.002 0.666 1.000 0.697 CB 2.168 34 residues pruned to eliminate duplicates Z: 29 63.446 2.459 1.161 0.676 1.000 0.607 CB 1.918 29 residues pruned to eliminate duplicates Z: 76 83.548 2.483 0.928 0.617 0.933 0.600 CB 1.934 76 residues pruned to eliminate duplicates Z: 30 66.038 2.561 1.068 0.682 0.931 0.690 CB 2.105 30 residues pruned to eliminate duplicates Z: 61 77.428 2.508 0.954 0.583 0.950 0.683 CB 1.981 61 residues pruned to eliminate duplicates Z: 36 61.727 2.552 0.828 0.639 0.943 0.571 CB 2.083 36 residues pruned to eliminate duplicates Z: 72 77.168 2.411 0.897 0.631 0.901 0.577 CB 1.963 71 residues pruned to eliminate duplicates Z: 19 59.094 2.522 0.911 0.883 1.000 0.500 CB 2.090 19 residues pruned to eliminate duplicates Z: 50 79.891 2.560 1.021 0.613 0.980 0.694 CB 2.023 50 residues pruned to eliminate duplicates Z: 27 53.158 2.456 1.014 0.666 1.000 0.615 CB 1.807 27 residues pruned to eliminate duplicates Z: 93 100.202 2.490 0.930 0.637 0.967 0.630 CB 1.976 93 residues pruned to eliminate duplicates Z: 62 77.134 2.467 0.941 0.613 0.967 0.639 CB 1.916 62 residues pruned to eliminate duplicates Z: 92 98.178 2.495 0.987 0.616 0.934 0.637 CB 1.991 92 residues pruned to eliminate duplicates Z: 93 95.622 2.494 1.020 0.607 0.924 0.663 CB 1.934 93 residues pruned to eliminate duplicates Z: 58 73.556 2.429 1.064 0.619 0.895 0.614 CB 1.942 58 residues pruned to eliminate duplicates Z: 74 80.249 2.475 0.888 0.609 0.945 0.630 CB 1.918 74 residues pruned to eliminate duplicates Z: 75 83.492 2.464 0.908 0.609 0.946 0.608 CB 1.967 75 residues pruned to eliminate duplicates Z: 91 88.208 2.444 0.959 0.578 0.944 0.656 CB 1.907 91 residues pruned to eliminate duplicates Z: 92 99.489 2.491 1.029 0.632 0.912 0.615 CB 1.998 93 residues pruned to eliminate duplicates Z: 9 14.871 2.038 0.429 0.648 1.000 0.875 C 1.572 9 residues pruned to eliminate duplicates Z: 18 23.175 2.140 0.922 0.372 0.941 0.588 C 1.666 18 residues pruned to eliminate duplicates Z: 75 87.574 2.458 1.007 0.619 0.946 0.622 CB 1.950 75 residues pruned to eliminate duplicates Z: 38 55.295 2.431 1.050 0.633 0.838 0.568 C 1.921 38 residues pruned to eliminate duplicates Z: 91 85.961 2.381 1.040 0.577 0.889 0.589 CB 1.949 91 residues pruned to eliminate duplicates Z: 15 17.980 2.047 0.804 0.526 0.857 0.571 CB 1.479 15 residues pruned to eliminate duplicates Z: 73 75.978 2.417 0.918 0.591 0.917 0.611 CB 1.932 73 residues pruned to eliminate duplicates Z: 93 105.513 2.469 1.014 0.634 0.978 0.630 CB 1.994 93 residues pruned to eliminate duplicates Z: 62 66.629 2.383 1.023 0.569 0.869 0.574 C 1.904 62 residues pruned to eliminate duplicates Z: 23 46.096 2.500 0.996 0.675 0.818 0.591 CB 2.050 23 residues pruned to eliminate duplicates Z: 27 41.063 2.354 0.911 0.687 0.808 0.654 C 1.866 27 residues pruned to eliminate duplicates Z: 43 45.665 2.334 0.811 0.552 0.857 0.595 CB 1.848 43 residues pruned to eliminate duplicates Z: 44 47.864 2.272 0.948 0.541 0.907 0.558 CB 1.748 44 residues pruned to eliminate duplicates Z: 46 57.641 2.407 0.951 0.612 0.844 0.600 CB 1.949 46 residues pruned to eliminate duplicates Z: 45 62.540 2.455 0.801 0.646 0.955 0.614 CB 1.949 45 residues pruned to eliminate duplicates Z: 17 40.806 2.450 0.645 0.816 0.938 0.875 C 2.052 17 residues pruned to eliminate duplicates Z: 92 98.736 2.498 0.958 0.635 0.934 0.571 CB 1.997 92 residues pruned to eliminate duplicates Z: 44 48.722 2.340 0.795 0.552 0.953 0.581 CB 1.763 44 residues pruned to eliminate duplicates Z: 55 65.229 2.406 0.862 0.622 0.926 0.593 CB 1.907 55 residues pruned to eliminate duplicates Z: 42 54.307 2.411 0.762 0.641 0.927 0.659 CB 1.888 42 residues pruned to eliminate duplicates Z: 27 34.912 2.345 0.547 0.620 0.885 0.538 CB 1.905 27 residues pruned to eliminate duplicates Z: 52 56.872 2.346 0.745 0.615 0.922 0.667 CB 1.893 52 residues pruned to eliminate duplicates Z: 45 54.408 2.366 0.847 0.624 0.886 0.682 CB 1.884 45 residues pruned to eliminate duplicates Z: 91 96.854 2.478 0.890 0.632 0.944 0.689 CB 2.039 91 residues pruned to eliminate duplicates Z: 46 57.503 2.409 0.705 0.618 0.956 0.733 CB 1.953 46 residues pruned to eliminate duplicates Z: 24 42.789 2.339 0.926 0.566 0.957 0.652 C 1.942 24 residues pruned to eliminate duplicates Z: 25 37.650 2.206 0.838 0.556 0.958 0.625 CB 1.873 25 residues pruned to eliminate duplicates Z: 108 88.554 2.427 0.831 0.578 0.925 0.654 CB 1.932 108 residues pruned to eliminate duplicates Z: 46 57.192 2.419 0.763 0.612 0.933 0.644 CB 1.926 46 residues pruned to eliminate duplicates Z: 22 40.454 2.304 1.059 0.586 0.905 0.619 C 1.894 22 residues pruned to eliminate duplicates Z: 25 34.113 2.367 0.809 0.542 0.833 0.667 C 1.874 25 residues pruned to eliminate duplicates Z: 22 39.878 2.283 0.937 0.567 1.000 0.810 CB 1.845 22 residues pruned to eliminate duplicates Z: 23 31.030 2.301 0.671 0.533 0.864 0.727 CB 1.929 23 residues pruned to eliminate duplicates Z: 56 59.396 2.360 0.792 0.613 0.891 0.636 CB 1.910 56 residues pruned to eliminate duplicates Z: 45 52.471 2.335 0.743 0.643 0.886 0.636 CB 1.919 45 residues pruned to eliminate duplicates Z: 22 41.141 2.325 0.815 0.632 0.952 0.762 C 1.973 22 residues pruned to eliminate duplicates Z: 43 57.249 2.430 0.766 0.660 0.905 0.643 CB 1.962 43 residues pruned to eliminate duplicates Z: 21 38.279 2.357 0.938 0.541 0.950 0.750 C 1.894 21 residues pruned to eliminate duplicates Z: 111 91.405 2.472 0.846 0.584 0.900 0.636 CB 1.957 111 residues pruned to eliminate duplicates Z: 57 57.725 2.374 0.785 0.541 0.946 0.661 CB 1.847 57 residues pruned to eliminate duplicates 316 residues left after pruning, divided into chains as follows: A: 316 CC for partial structure against native data = 36.55 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.416, Connect. = 0.769 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.572, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 0.589, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 0.606, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.617, Connect. = 0.836 for dens.mod. cycle 6 = 0.300, Contrast = 0.628, Connect. = 0.838 for dens.mod. cycle 7 = 0.300, Contrast = 0.636, Connect. = 0.839 for dens.mod. cycle 8 = 0.300, Contrast = 0.643, Connect. = 0.840 for dens.mod. cycle 9 = 0.300, Contrast = 0.649, Connect. = 0.841 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2435 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 459 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 72.756 2.725 0.833 0.914 1.000 0.750 CB 2.304 B: 22 74.446 2.648 0.975 0.887 1.000 0.810 C 2.240 21 residues pruned to eliminate duplicates C: 10 24.650 2.208 0.488 0.897 1.000 0.889 C 1.791 D: 11 23.637 2.105 0.557 0.864 0.900 0.900 C 1.857 10 residues pruned to eliminate duplicates E: 29 69.232 2.546 0.898 0.895 0.964 0.643 CB 2.011 F: 17 55.909 2.595 0.814 0.892 1.000 0.875 CB 2.133 G: 21 80.668 2.757 1.051 0.931 1.000 0.900 CB 2.229 22 residues pruned to eliminate duplicates H: 21 76.702 2.744 0.837 0.938 1.000 0.750 CB 2.366 21 residues pruned to eliminate duplicates I: 30 78.448 2.537 0.893 0.934 1.000 0.897 C 2.116 J: 10 33.612 2.354 0.822 0.904 1.000 0.778 CB 1.861 11 residues pruned to eliminate duplicates K: 18 51.783 2.476 0.757 0.857 1.000 0.647 C 2.128 17 residues pruned to eliminate duplicates L: 17 68.444 2.805 0.820 0.942 0.938 0.812 CB 2.480 17 residues pruned to eliminate duplicates M: 21 85.086 2.748 1.099 0.926 1.000 0.800 C 2.314 21 residues pruned to eliminate duplicates N: 22 81.916 2.625 1.107 0.934 1.000 0.952 C 2.254 22 residues pruned to eliminate duplicates O: 21 68.349 2.741 0.734 0.920 1.000 0.850 C 2.264 22 residues pruned to eliminate duplicates P: 18 54.419 2.497 0.848 0.893 1.000 0.824 CB 2.054 18 residues pruned to eliminate duplicates Q: 21 83.918 2.740 1.176 0.909 0.950 0.750 C 2.352 21 residues pruned to eliminate duplicates R: 31 78.442 2.427 1.079 0.923 1.000 0.733 C 1.995 30 residues pruned to eliminate duplicates S: 20 91.091 2.889 1.093 0.923 1.000 0.684 C 2.430 20 residues pruned to eliminate duplicates T: 20 94.740 2.843 1.217 0.932 1.000 0.526 C 2.407 20 residues pruned to eliminate duplicates U: 22 75.015 2.658 0.920 0.941 0.952 0.857 CB 2.337 21 residues pruned to eliminate duplicates V: 21 74.190 2.771 0.795 0.940 1.000 0.900 CB 2.315 21 residues pruned to eliminate duplicates W: 22 74.647 2.629 0.947 0.925 1.000 0.857 C 2.232 22 residues pruned to eliminate duplicates X: 14 55.457 2.661 1.070 0.879 0.923 0.846 CB 2.194 15 residues pruned to eliminate duplicates Y: 20 87.503 2.895 0.961 0.933 1.000 0.895 C 2.467 20 residues pruned to eliminate duplicates Z: 20 49.523 2.402 0.757 0.852 1.000 0.579 CB 1.992 18 residues pruned to eliminate duplicates Z: 40 73.265 2.536 0.628 0.866 0.974 0.744 C 2.135 Z: 36 75.533 2.543 0.773 0.896 0.971 0.800 C 2.088 36 residues pruned to eliminate duplicates Z: 9 40.472 2.507 0.878 0.897 1.000 1.000 C 2.175 9 residues pruned to eliminate duplicates Z: 37 72.708 2.618 0.571 0.885 0.972 0.861 C 2.188 37 residues pruned to eliminate duplicates Z: 18 46.899 2.495 0.720 0.830 0.941 0.647 C 2.118 18 residues pruned to eliminate duplicates Z: 14 50.169 2.743 0.525 0.928 1.000 0.846 CB 2.329 14 residues pruned to eliminate duplicates Z: 20 61.011 2.428 1.258 0.810 1.000 0.684 CB 1.949 Z: 19 49.490 2.494 0.686 0.908 0.944 0.833 CB 2.087 20 residues pruned to eliminate duplicates Z: 37 81.852 2.679 0.648 0.876 1.000 0.917 C 2.246 40 residues pruned to eliminate duplicates Z: 31 58.863 2.488 0.795 0.880 0.867 0.533 CB 2.012 29 residues pruned to eliminate duplicates Z: 15 41.928 2.406 0.564 0.919 1.000 1.000 CB 2.099 Z: 36 82.386 2.651 0.752 0.902 0.971 0.857 C 2.202 36 residues pruned to eliminate duplicates Z: 21 53.326 2.462 0.718 0.862 1.000 0.600 CB 2.071 22 residues pruned to eliminate duplicates Z: 12 38.339 2.397 1.114 0.869 0.818 0.545 CB 2.037 12 residues pruned to eliminate duplicates Z: 31 62.899 2.439 0.637 0.914 0.967 0.900 C 2.104 31 residues pruned to eliminate duplicates Z: 30 80.945 2.524 0.946 0.937 1.000 0.828 C 2.130 31 residues pruned to eliminate duplicates Z: 35 77.586 2.580 0.683 0.913 1.000 0.794 C 2.168 35 residues pruned to eliminate duplicates Z: 20 90.479 2.878 1.075 0.912 1.000 0.842 C 2.461 20 residues pruned to eliminate duplicates Z: 31 72.013 2.457 0.796 0.927 1.000 0.900 C 2.087 31 residues pruned to eliminate duplicates Z: 10 26.174 2.340 0.663 0.885 0.889 0.667 CB 1.821 10 residues pruned to eliminate duplicates Z: 38 79.593 2.597 0.719 0.859 0.973 0.703 C 2.217 38 residues pruned to eliminate duplicates Z: 35 84.329 2.663 0.749 0.905 1.000 0.853 C 2.210 35 residues pruned to eliminate duplicates Z: 21 80.766 2.766 0.944 0.928 1.000 0.900 CB 2.352 21 residues pruned to eliminate duplicates Z: 36 69.966 2.538 0.637 0.907 0.971 0.857 C 2.083 36 residues pruned to eliminate duplicates Z: 18 40.259 2.425 0.548 0.894 1.000 0.765 CB 1.866 Z: 21 68.907 2.720 0.762 0.876 1.000 0.750 C 2.337 21 residues pruned to eliminate duplicates Z: 19 55.637 2.632 0.809 0.839 0.944 0.444 CB 2.178 19 residues pruned to eliminate duplicates Z: 8 13.814 2.120 0.095 0.827 1.000 0.857 CA 1.695 Z: 17 43.361 2.552 0.575 0.870 1.000 0.812 CB 1.969 18 residues pruned to eliminate duplicates Z: 12 50.984 2.488 1.135 0.898 1.000 0.545 CB 2.069 12 residues pruned to eliminate duplicates Z: 20 46.245 2.519 0.640 0.837 1.000 0.737 CB 1.921 20 residues pruned to eliminate duplicates Z: 74 89.593 2.568 0.881 0.619 0.945 0.616 CB 2.052 48 residues pruned to eliminate duplicates Z: 15 42.482 2.395 0.628 0.928 1.000 1.000 C 2.038 15 residues pruned to eliminate duplicates Z: 13 40.676 2.291 1.060 0.869 1.000 0.667 C 1.818 13 residues pruned to eliminate duplicates Z: 31 68.715 2.446 0.720 0.939 1.000 0.933 C 2.074 31 residues pruned to eliminate duplicates Z: 19 49.242 2.487 0.785 0.879 0.944 0.556 CB 2.006 19 residues pruned to eliminate duplicates Z: 15 39.659 2.375 0.582 0.916 1.000 0.929 C 1.993 15 residues pruned to eliminate duplicates Z: 19 50.812 2.649 0.651 0.841 0.944 0.667 CB 2.161 19 residues pruned to eliminate duplicates Z: 30 59.605 2.451 0.745 0.901 0.897 0.655 CB 2.060 30 residues pruned to eliminate duplicates Z: 38 76.041 2.600 0.651 0.859 0.973 0.784 C 2.201 38 residues pruned to eliminate duplicates Z: 20 91.062 2.890 1.074 0.927 1.000 0.789 C 2.442 20 residues pruned to eliminate duplicates Z: 19 48.220 2.639 0.521 0.853 1.000 0.778 CB 2.092 19 residues pruned to eliminate duplicates Z: 21 93.139 2.748 1.255 0.931 1.000 0.550 C 2.348 20 residues pruned to eliminate duplicates Z: 21 64.625 2.753 0.738 0.881 0.950 0.800 CB 2.301 21 residues pruned to eliminate duplicates Z: 13 33.608 2.300 0.990 0.780 0.917 0.750 CB 1.806 13 residues pruned to eliminate duplicates Z: 15 45.320 2.411 0.730 0.908 1.000 1.000 C 2.062 15 residues pruned to eliminate duplicates Z: 68 120.061 2.703 0.900 0.778 0.985 0.731 C 2.268 57 residues pruned to eliminate duplicates Z: 30 66.517 2.505 0.737 0.916 1.000 0.828 CB 2.005 30 residues pruned to eliminate duplicates Z: 17 33.240 2.437 0.303 0.890 1.000 0.875 CB 1.882 17 residues pruned to eliminate duplicates Z: 22 73.596 2.610 0.913 0.922 1.000 0.905 C 2.262 22 residues pruned to eliminate duplicates Z: 38 71.397 2.584 0.519 0.906 0.973 0.838 C 2.186 38 residues pruned to eliminate duplicates Z: 18 45.456 2.541 0.663 0.866 0.941 0.765 CB 2.029 18 residues pruned to eliminate duplicates Z: 20 46.593 2.502 0.894 0.592 1.000 0.632 C 2.066 19 residues pruned to eliminate duplicates Z: 17 38.488 2.601 0.314 0.886 1.000 0.875 CB 2.031 17 residues pruned to eliminate duplicates Z: 84 125.403 2.659 0.955 0.769 0.940 0.687 CB 2.220 85 residues pruned to eliminate duplicates Z: 31 72.000 2.476 0.792 0.924 1.000 0.900 C 2.081 31 residues pruned to eliminate duplicates Z: 18 36.229 2.438 0.378 0.893 1.000 0.706 CB 1.877 18 residues pruned to eliminate duplicates Z: 19 43.519 2.458 0.591 0.877 0.944 0.778 CB 2.017 19 residues pruned to eliminate duplicates Z: 38 76.518 2.596 0.664 0.870 0.973 0.757 C 2.185 38 residues pruned to eliminate duplicates Z: 29 69.996 2.573 0.775 0.911 1.000 0.821 CB 2.053 29 residues pruned to eliminate duplicates Z: 21 73.103 2.697 1.055 0.896 0.950 0.650 CB 2.223 21 residues pruned to eliminate duplicates Z: 9 33.163 2.455 0.627 0.899 1.000 0.875 CB 2.097 9 residues pruned to eliminate duplicates Z: 37 71.621 2.559 0.569 0.908 0.972 0.861 CB 2.171 37 residues pruned to eliminate duplicates Z: 31 77.493 2.445 1.046 0.929 0.967 0.833 C 2.048 31 residues pruned to eliminate duplicates Z: 31 77.972 2.447 1.046 0.935 0.967 0.900 C 2.049 31 residues pruned to eliminate duplicates Z: 22 60.676 2.495 0.774 0.938 1.000 0.810 CB 2.080 22 residues pruned to eliminate duplicates Z: 20 84.016 2.833 0.982 0.934 1.000 0.842 CB 2.394 20 residues pruned to eliminate duplicates Z: 18 41.447 2.429 0.550 0.872 1.000 0.647 CB 1.945 18 residues pruned to eliminate duplicates Z: 15 42.499 2.377 0.742 0.931 1.000 0.857 CB 1.917 15 residues pruned to eliminate duplicates Z: 19 42.448 2.278 0.715 0.913 1.000 0.722 CB 1.813 18 residues pruned to eliminate duplicates Z: 30 77.947 2.492 0.933 0.929 1.000 0.828 C 2.102 30 residues pruned to eliminate duplicates Z: 29 62.897 2.516 0.779 0.920 0.964 0.929 CB 1.940 29 residues pruned to eliminate duplicates Z: 19 48.116 2.605 0.799 0.846 0.889 0.611 CB 2.022 19 residues pruned to eliminate duplicates Z: 19 37.636 2.569 0.447 0.860 0.944 0.778 CB 1.858 19 residues pruned to eliminate duplicates Z: 8 16.940 2.254 0.209 0.872 1.000 0.857 CA 1.711 Z: 18 35.974 2.388 0.923 0.554 0.941 0.765 CB 1.914 18 residues pruned to eliminate duplicates Z: 19 44.695 2.410 0.902 0.808 0.889 0.667 C 1.976 19 residues pruned to eliminate duplicates Z: 10 32.572 2.397 0.716 0.907 1.000 0.889 CB 1.876 10 residues pruned to eliminate duplicates Z: 30 69.404 2.541 0.639 0.936 1.000 0.931 C 2.155 30 residues pruned to eliminate duplicates Z: 36 84.568 2.618 0.785 0.907 1.000 0.857 C 2.173 36 residues pruned to eliminate duplicates Z: 37 78.947 2.642 0.630 0.891 1.000 0.917 C 2.197 37 residues pruned to eliminate duplicates Z: 39 76.622 2.568 0.655 0.873 1.000 0.763 C 2.130 39 residues pruned to eliminate duplicates Z: 44 47.470 2.348 0.905 0.542 0.884 0.651 CB 1.757 15 residues pruned to eliminate duplicates Z: 37 72.694 2.619 0.557 0.877 0.972 0.861 C 2.219 37 residues pruned to eliminate duplicates Z: 29 63.611 2.474 0.763 0.885 0.964 0.714 CB 2.064 29 residues pruned to eliminate duplicates Z: 37 66.206 2.582 0.548 0.857 0.944 0.778 C 2.154 37 residues pruned to eliminate duplicates Z: 18 35.432 2.382 0.347 0.886 1.000 0.647 C 1.932 17 residues pruned to eliminate duplicates Z: 38 69.735 2.534 0.534 0.891 1.000 0.865 C 2.120 38 residues pruned to eliminate duplicates Z: 37 76.719 2.634 0.643 0.861 1.000 0.778 C 2.170 37 residues pruned to eliminate duplicates Z: 30 62.001 2.511 0.534 0.923 1.000 0.966 C 2.101 30 residues pruned to eliminate duplicates Z: 44 46.926 2.293 0.899 0.543 0.907 0.721 CB 1.736 44 residues pruned to eliminate duplicates Z: 21 75.065 2.749 0.831 0.938 1.000 0.850 C 2.319 21 residues pruned to eliminate duplicates Z: 18 48.202 2.415 0.893 0.875 0.941 0.765 CB 1.976 18 residues pruned to eliminate duplicates Z: 18 36.438 2.270 0.539 0.916 1.000 0.765 CB 1.786 18 residues pruned to eliminate duplicates Z: 29 63.008 2.552 0.794 0.921 0.929 0.821 CB 1.971 29 residues pruned to eliminate duplicates Z: 30 80.427 2.531 0.950 0.934 1.000 0.966 C 2.110 30 residues pruned to eliminate duplicates Z: 39 82.197 2.603 0.772 0.865 0.974 0.763 C 2.175 39 residues pruned to eliminate duplicates Z: 10 20.497 2.327 0.388 0.755 1.000 0.556 CB 1.686 10 residues pruned to eliminate duplicates Z: 9 15.782 2.067 0.482 0.827 1.000 0.750 CA 1.372 Z: 15 45.013 2.356 0.753 0.931 1.000 1.000 CB 2.036 15 residues pruned to eliminate duplicates Z: 16 39.365 2.457 0.942 0.600 0.933 0.800 CB 2.074 16 residues pruned to eliminate duplicates Z: 37 79.242 2.640 0.695 0.887 0.972 0.861 C 2.188 37 residues pruned to eliminate duplicates Z: 39 66.970 2.504 0.562 0.832 0.974 0.737 C 2.142 39 residues pruned to eliminate duplicates Z: 18 48.321 2.440 0.932 0.852 0.941 0.588 C 1.954 18 residues pruned to eliminate duplicates Z: 29 67.256 2.596 0.741 0.882 0.964 0.821 CB 2.110 30 residues pruned to eliminate duplicates Z: 35 84.184 2.619 0.750 0.921 1.000 0.824 C 2.217 35 residues pruned to eliminate duplicates Z: 29 69.283 2.513 0.833 0.913 1.000 0.714 CB 2.011 29 residues pruned to eliminate duplicates Z: 36 72.877 2.496 0.794 0.889 0.943 0.771 C 2.102 36 residues pruned to eliminate duplicates Z: 57 66.272 2.431 0.760 0.584 0.964 0.679 CB 1.980 46 residues pruned to eliminate duplicates Z: 13 28.723 2.269 0.494 0.913 0.917 0.917 CB 1.889 13 residues pruned to eliminate duplicates Z: 19 52.188 2.539 0.749 0.875 0.944 0.667 C 2.133 19 residues pruned to eliminate duplicates Z: 27 55.934 2.414 0.693 0.921 0.962 0.692 CB 1.965 27 residues pruned to eliminate duplicates Z: 35 86.003 2.616 0.890 0.895 0.971 0.765 C 2.204 35 residues pruned to eliminate duplicates Z: 24 63.101 2.611 0.669 0.856 1.000 0.826 C 2.226 24 residues pruned to eliminate duplicates Z: 88 76.077 2.402 0.938 0.569 0.908 0.759 CB 1.804 73 residues pruned to eliminate duplicates Z: 31 65.045 2.457 0.632 0.915 1.000 0.900 C 2.094 31 residues pruned to eliminate duplicates Z: 21 77.863 2.730 0.935 0.918 1.000 0.800 CB 2.325 21 residues pruned to eliminate duplicates Z: 30 79.191 2.606 1.043 0.884 0.931 0.552 CB 2.144 29 residues pruned to eliminate duplicates Z: 16 44.805 2.586 0.542 0.898 1.000 0.733 CB 2.075 16 residues pruned to eliminate duplicates Z: 16 38.730 2.260 1.170 0.841 0.933 0.733 CB 1.629 16 residues pruned to eliminate duplicates Z: 39 74.824 2.520 0.700 0.867 0.974 0.711 C 2.129 39 residues pruned to eliminate duplicates Z: 29 62.243 2.558 0.626 0.918 1.000 0.857 CB 1.994 29 residues pruned to eliminate duplicates Z: 20 56.875 2.555 0.865 0.853 1.000 0.632 CB 2.024 20 residues pruned to eliminate duplicates Z: 8 12.349 2.098 0.251 0.830 1.000 0.857 CB 1.337 8 residues pruned to eliminate duplicates Z: 7 14.940 2.466 0.073 0.797 1.000 0.833 CB 1.778 8 residues pruned to eliminate duplicates Z: 10 28.997 2.241 0.811 0.873 1.000 0.889 C 1.735 10 residues pruned to eliminate duplicates Z: 10 14.928 2.029 0.373 0.810 0.889 0.667 CA 1.533 8 residues pruned to eliminate duplicates Z: 31 73.275 2.446 0.854 0.922 1.000 0.900 C 2.075 31 residues pruned to eliminate duplicates Z: 35 75.140 2.578 0.627 0.894 1.000 0.853 C 2.203 35 residues pruned to eliminate duplicates Z: 25 64.659 2.505 0.761 0.937 1.000 0.792 C 2.082 25 residues pruned to eliminate duplicates Z: 8 15.843 2.077 0.243 0.817 1.000 0.857 CB 1.761 8 residues pruned to eliminate duplicates Z: 40 69.344 2.542 0.544 0.853 0.974 0.718 C 2.146 40 residues pruned to eliminate duplicates Z: 31 54.990 2.413 0.494 0.909 0.967 0.900 C 2.044 31 residues pruned to eliminate duplicates Z: 39 66.904 2.493 0.507 0.883 1.000 0.868 C 2.089 39 residues pruned to eliminate duplicates Z: 37 72.062 2.548 0.581 0.909 0.972 0.861 C 2.177 37 residues pruned to eliminate duplicates Z: 6 11.049 2.236 -0.047 0.852 1.000 0.800 C 1.716 6 residues pruned to eliminate duplicates Z: 31 71.291 2.424 0.848 0.910 1.000 0.833 C 2.061 31 residues pruned to eliminate duplicates Z: 30 64.164 2.515 0.526 0.945 1.000 0.862 C 2.148 30 residues pruned to eliminate duplicates Z: 31 67.350 2.418 0.745 0.924 1.000 0.900 C 2.047 31 residues pruned to eliminate duplicates Z: 31 68.182 2.447 0.722 0.928 1.000 0.933 C 2.068 31 residues pruned to eliminate duplicates Z: 8 11.393 2.045 0.151 0.841 0.857 0.714 CB 1.592 8 residues pruned to eliminate duplicates Z: 15 38.642 2.356 0.758 0.908 0.929 0.857 CB 1.907 15 residues pruned to eliminate duplicates Z: 26 56.575 2.466 0.625 0.901 1.000 0.840 C 2.015 26 residues pruned to eliminate duplicates Z: 27 56.578 2.441 0.570 0.924 1.000 0.962 CB 2.033 27 residues pruned to eliminate duplicates Z: 15 49.160 2.390 0.928 0.922 1.000 0.929 C 2.004 15 residues pruned to eliminate duplicates Z: 31 71.003 2.415 0.817 0.919 1.000 0.933 CB 2.081 31 residues pruned to eliminate duplicates Z: 38 75.542 2.515 0.771 0.891 0.973 0.730 C 2.060 38 residues pruned to eliminate duplicates Z: 21 84.836 2.671 1.159 0.939 1.000 0.800 C 2.286 21 residues pruned to eliminate duplicates Z: 17 31.797 2.385 0.284 0.904 1.000 0.750 CB 1.848 17 residues pruned to eliminate duplicates Z: 36 77.334 2.510 0.809 0.876 0.971 0.800 C 2.153 36 residues pruned to eliminate duplicates Z: 61 59.805 2.344 0.927 0.521 0.950 0.733 CB 1.764 54 residues pruned to eliminate duplicates Z: 30 78.947 2.545 0.895 0.935 1.000 0.931 C 2.119 30 residues pruned to eliminate duplicates Z: 9 18.410 2.147 0.386 0.818 1.000 0.625 CA 1.659 9 residues pruned to eliminate duplicates Z: 30 63.169 2.520 0.579 0.926 0.966 0.966 C 2.141 30 residues pruned to eliminate duplicates Z: 15 43.143 2.339 0.870 0.863 1.000 0.643 C 1.934 15 residues pruned to eliminate duplicates Z: 13 36.980 2.313 1.070 0.891 1.000 0.917 CB 1.602 13 residues pruned to eliminate duplicates Z: 31 66.870 2.440 0.716 0.918 1.000 0.900 C 2.055 31 residues pruned to eliminate duplicates Z: 62 55.383 2.343 0.962 0.491 0.902 0.672 CB 1.726 62 residues pruned to eliminate duplicates Z: 44 82.409 2.573 1.111 0.658 0.977 0.628 CB 2.047 44 residues pruned to eliminate duplicates Z: 15 44.620 2.362 0.781 0.893 1.000 1.000 C 2.035 15 residues pruned to eliminate duplicates Z: 69 64.110 2.413 0.861 0.525 0.926 0.721 CB 1.824 69 residues pruned to eliminate duplicates Z: 68 113.048 2.666 0.866 0.772 0.985 0.687 C 2.215 68 residues pruned to eliminate duplicates Z: 30 56.512 2.440 0.675 0.898 0.931 0.759 CB 1.972 30 residues pruned to eliminate duplicates Z: 10 16.223 1.969 1.244 0.427 0.889 0.667 C 1.486 9 residues pruned to eliminate duplicates Z: 83 130.826 2.686 0.993 0.767 0.951 0.683 C 2.238 83 residues pruned to eliminate duplicates Z: 29 69.504 2.550 0.843 0.905 1.000 0.714 CB 1.989 29 residues pruned to eliminate duplicates Z: 17 47.340 2.524 0.711 0.880 0.938 0.750 CB 2.118 17 residues pruned to eliminate duplicates Z: 36 79.851 2.551 0.795 0.906 0.971 0.829 C 2.158 36 residues pruned to eliminate duplicates Z: 51 84.357 2.571 0.718 0.766 1.000 0.820 C 2.134 51 residues pruned to eliminate duplicates Z: 35 81.902 2.610 0.765 0.899 1.000 0.882 C 2.179 35 residues pruned to eliminate duplicates Z: 13 69.646 2.786 1.113 0.939 1.000 0.917 CB 2.373 13 residues pruned to eliminate duplicates Z: 38 55.550 2.444 0.784 0.627 0.946 0.649 CB 1.965 38 residues pruned to eliminate duplicates Z: 132 119.530 2.570 0.835 0.650 0.931 0.702 CB 2.068 132 residues pruned to eliminate duplicates Z: 14 35.020 2.324 0.913 0.879 1.000 0.846 CB 1.584 14 residues pruned to eliminate duplicates Z: 36 71.283 2.528 0.559 0.906 1.000 0.857 CB 2.175 36 residues pruned to eliminate duplicates Z: 35 83.506 2.519 0.858 0.928 1.000 0.824 C 2.143 35 residues pruned to eliminate duplicates Z: 19 44.065 2.405 0.697 0.871 0.889 0.778 CB 2.088 19 residues pruned to eliminate duplicates Z: 40 68.968 2.532 0.570 0.851 0.974 0.718 C 2.111 40 residues pruned to eliminate duplicates Z: 61 53.892 2.296 0.844 0.516 0.933 0.700 CB 1.732 61 residues pruned to eliminate duplicates Z: 29 67.953 2.517 0.710 0.907 1.000 0.821 CB 2.121 29 residues pruned to eliminate duplicates Z: 25 34.727 2.316 0.748 0.541 0.958 0.583 CB 1.755 35 residues pruned to eliminate duplicates Z: 12 46.301 2.470 0.971 0.913 1.000 0.727 C 2.030 12 residues pruned to eliminate duplicates Z: 30 77.536 2.448 1.014 0.912 1.000 0.724 C 2.067 30 residues pruned to eliminate duplicates Z: 13 18.104 2.120 0.925 0.416 0.917 0.500 CB 1.526 13 residues pruned to eliminate duplicates Z: 15 41.101 2.321 0.721 0.922 1.000 1.000 CB 1.934 15 residues pruned to eliminate duplicates Z: 30 68.460 2.503 0.721 0.950 0.966 0.966 C 2.108 30 residues pruned to eliminate duplicates Z: 15 40.529 2.330 0.688 0.902 1.000 0.857 CB 1.964 15 residues pruned to eliminate duplicates Z: 40 43.668 2.379 0.743 0.513 0.897 0.641 CB 1.856 40 residues pruned to eliminate duplicates Z: 9 13.349 1.999 0.427 0.737 0.875 0.750 CB 1.529 Z: 34 61.347 2.498 0.592 0.853 0.970 0.727 C 2.047 34 residues pruned to eliminate duplicates Z: 7 15.551 2.199 0.624 0.866 0.833 0.833 CB 1.560 7 residues pruned to eliminate duplicates Z: 46 48.157 2.265 1.022 0.532 0.867 0.578 CB 1.752 46 residues pruned to eliminate duplicates Z: 15 40.279 2.355 0.633 0.914 1.000 1.000 CB 1.979 15 residues pruned to eliminate duplicates Z: 17 49.997 2.359 1.266 0.897 0.938 0.688 CB 1.785 17 residues pruned to eliminate duplicates Z: 17 43.051 2.240 1.243 0.832 0.938 0.625 CB 1.716 17 residues pruned to eliminate duplicates Z: 14 47.420 2.388 0.983 0.901 1.000 0.846 C 1.982 14 residues pruned to eliminate duplicates Z: 24 54.312 2.342 0.868 0.885 0.957 0.739 C 1.954 24 residues pruned to eliminate duplicates Z: 23 33.271 2.187 0.745 0.592 0.955 0.818 C 1.784 14 residues pruned to eliminate duplicates Z: 62 55.374 2.261 0.900 0.511 0.967 0.639 CB 1.688 62 residues pruned to eliminate duplicates Z: 15 32.204 2.458 0.276 0.906 0.929 0.857 CB 2.103 15 residues pruned to eliminate duplicates Z: 76 91.254 2.529 0.925 0.654 0.933 0.640 CB 2.009 76 residues pruned to eliminate duplicates Z: 8 7.230 1.954 0.000 0.819 0.857 0.571 CB 1.237 8 residues pruned to eliminate duplicates Z: 30 62.983 2.496 0.515 0.931 1.000 0.931 C 2.161 30 residues pruned to eliminate duplicates Z: 30 86.862 2.535 1.077 0.929 1.000 0.759 C 2.144 30 residues pruned to eliminate duplicates Z: 12 24.907 2.129 0.519 0.854 1.000 0.727 C 1.715 12 residues pruned to eliminate duplicates Z: 43 50.140 2.320 0.968 0.568 0.905 0.690 CB 1.753 43 residues pruned to eliminate duplicates Z: 9 27.569 2.452 0.482 0.796 1.000 0.750 CB 2.070 9 residues pruned to eliminate duplicates Z: 30 67.141 2.525 0.613 0.933 1.000 0.862 C 2.136 30 residues pruned to eliminate duplicates Z: 31 64.606 2.447 0.585 0.939 1.000 0.967 C 2.113 31 residues pruned to eliminate duplicates Z: 41 70.383 2.332 1.067 0.752 0.950 0.575 C 1.941 41 residues pruned to eliminate duplicates Z: 14 32.653 2.225 0.690 0.911 0.923 0.769 C 1.849 14 residues pruned to eliminate duplicates Z: 28 62.482 2.420 0.804 0.893 1.000 0.852 C 1.976 28 residues pruned to eliminate duplicates Z: 12 11.152 1.849 0.740 0.201 0.909 0.364 CB 1.640 12 residues pruned to eliminate duplicates Z: 8 10.354 1.856 0.155 0.835 0.857 0.714 CB 1.595 8 residues pruned to eliminate duplicates Z: 33 87.716 2.713 0.835 0.936 0.969 0.844 C 2.239 33 residues pruned to eliminate duplicates Z: 26 43.077 2.393 0.675 0.685 1.000 0.760 CB 1.815 26 residues pruned to eliminate duplicates Z: 8 14.606 2.098 0.185 0.793 1.000 0.571 C 1.716 8 residues pruned to eliminate duplicates Z: 36 79.301 2.585 0.802 0.893 0.971 0.743 C 2.128 36 residues pruned to eliminate duplicates Z: 30 64.693 2.515 0.559 0.932 1.000 0.931 C 2.140 30 residues pruned to eliminate duplicates Z: 25 68.272 2.526 0.886 0.924 1.000 0.833 C 2.055 25 residues pruned to eliminate duplicates Z: 63 107.869 2.657 0.841 0.807 0.968 0.726 C 2.213 63 residues pruned to eliminate duplicates Z: 21 74.678 2.726 0.899 0.929 1.000 0.850 CB 2.256 21 residues pruned to eliminate duplicates Z: 8 19.086 2.225 0.576 0.857 1.000 0.714 CB 1.516 17 residues pruned to eliminate duplicates Z: 10 24.453 2.049 0.680 0.890 1.000 0.889 C 1.704 10 residues pruned to eliminate duplicates Z: 71 105.581 2.621 0.808 0.756 0.971 0.771 C 2.182 71 residues pruned to eliminate duplicates Z: 21 80.540 2.659 1.241 0.916 0.950 0.600 CB 2.248 21 residues pruned to eliminate duplicates Z: 31 61.497 2.434 0.554 0.929 1.000 0.867 CB 2.076 31 residues pruned to eliminate duplicates Z: 21 82.505 2.753 1.095 0.927 0.950 0.850 CB 2.360 21 residues pruned to eliminate duplicates Z: 77 58.392 2.384 0.732 0.498 0.921 0.684 CB 1.765 77 residues pruned to eliminate duplicates Z: 23 30.286 2.280 0.842 0.519 0.773 0.727 C 1.953 23 residues pruned to eliminate duplicates Z: 30 66.620 2.519 0.604 0.933 1.000 0.931 C 2.137 30 residues pruned to eliminate duplicates Z: 14 37.204 2.430 0.514 0.937 1.000 1.000 CB 1.952 14 residues pruned to eliminate duplicates Z: 8 16.355 1.998 0.386 0.885 1.000 0.714 CB 1.611 8 residues pruned to eliminate duplicates Z: 17 53.698 2.637 0.822 0.882 0.938 0.812 C 2.157 17 residues pruned to eliminate duplicates Z: 12 20.736 2.177 0.304 0.822 1.000 0.636 CB 1.666 12 residues pruned to eliminate duplicates Z: 9 17.439 2.043 0.349 0.832 1.000 0.500 C 1.680 Z: 8 17.886 2.011 0.982 0.657 1.000 0.429 CB 1.466 8 residues pruned to eliminate duplicates Z: 26 59.969 2.554 0.776 0.884 0.920 0.680 CB 2.076 26 residues pruned to eliminate duplicates Z: 30 63.181 2.508 0.530 0.940 1.000 0.966 C 2.123 30 residues pruned to eliminate duplicates Z: 33 46.507 2.358 0.778 0.676 0.938 0.625 CB 1.778 42 residues pruned to eliminate duplicates Z: 33 58.772 2.538 0.752 0.705 0.938 0.656 CB 2.068 33 residues pruned to eliminate duplicates Z: 20 53.962 2.469 0.871 0.893 0.947 0.737 C 2.031 20 residues pruned to eliminate duplicates Z: 70 57.893 2.415 0.674 0.528 0.928 0.696 CB 1.808 70 residues pruned to eliminate duplicates Z: 7 11.968 2.037 0.217 0.814 0.833 0.667 CB 1.801 7 residues pruned to eliminate duplicates Z: 30 84.005 2.520 1.028 0.941 1.000 0.966 C 2.118 30 residues pruned to eliminate duplicates Z: 21 89.331 2.724 1.226 0.928 1.000 0.950 C 2.308 21 residues pruned to eliminate duplicates Z: 16 47.013 2.279 1.016 0.904 1.000 0.867 C 1.881 16 residues pruned to eliminate duplicates Z: 6 15.789 1.895 1.087 0.811 1.000 0.800 CB 1.361 6 residues pruned to eliminate duplicates Z: 37 74.762 2.585 0.650 0.887 0.972 0.861 C 2.166 37 residues pruned to eliminate duplicates Z: 14 38.826 2.301 1.255 0.799 0.846 0.692 CB 1.889 14 residues pruned to eliminate duplicates Z: 19 44.351 2.375 0.883 0.824 0.944 0.667 CB 1.869 19 residues pruned to eliminate duplicates Z: 15 35.797 2.316 0.589 0.856 1.000 0.571 C 1.918 15 residues pruned to eliminate duplicates Z: 7 13.887 2.035 0.151 0.870 1.000 0.833 CA 1.767 7 residues pruned to eliminate duplicates Z: 31 64.284 2.343 0.788 0.886 1.000 0.800 C 2.021 31 residues pruned to eliminate duplicates Z: 30 75.614 2.447 0.891 0.929 1.000 0.759 C 2.124 30 residues pruned to eliminate duplicates Z: 15 29.799 2.282 0.814 0.581 0.929 0.500 CB 1.917 15 residues pruned to eliminate duplicates Z: 14 16.050 2.111 0.923 0.340 0.846 0.538 CB 1.543 14 residues pruned to eliminate duplicates Z: 15 45.084 2.312 0.933 0.908 1.000 0.786 C 1.915 15 residues pruned to eliminate duplicates Z: 21 50.952 2.356 0.757 0.847 1.000 0.600 C 2.044 21 residues pruned to eliminate duplicates Z: 61 58.921 2.350 0.860 0.539 0.933 0.700 CB 1.794 61 residues pruned to eliminate duplicates Z: 37 68.584 2.583 0.436 0.901 1.000 0.806 C 2.199 37 residues pruned to eliminate duplicates Z: 31 61.703 2.464 0.578 0.916 0.967 0.900 C 2.116 31 residues pruned to eliminate duplicates Z: 10 11.849 2.084 0.580 0.557 0.889 0.556 CB 1.277 10 residues pruned to eliminate duplicates Z: 62 56.620 2.303 0.910 0.511 0.951 0.623 CB 1.715 62 residues pruned to eliminate duplicates Z: 54 62.205 2.366 0.792 0.623 0.925 0.698 CB 1.940 54 residues pruned to eliminate duplicates Z: 17 30.520 2.308 0.441 0.913 0.938 0.875 CB 1.732 17 residues pruned to eliminate duplicates Z: 16 37.321 2.418 0.392 0.922 1.000 0.933 CB 2.014 16 residues pruned to eliminate duplicates Z: 31 68.756 2.439 0.824 0.912 0.967 0.767 C 2.068 31 residues pruned to eliminate duplicates Z: 18 46.030 2.517 0.764 0.851 1.000 0.647 CB 1.862 18 residues pruned to eliminate duplicates Z: 63 77.215 2.470 0.950 0.561 0.935 0.758 C 2.052 63 residues pruned to eliminate duplicates Z: 15 45.092 2.298 0.951 0.909 1.000 0.714 C 1.908 15 residues pruned to eliminate duplicates Z: 22 70.245 2.587 0.848 0.925 1.000 0.905 CB 2.251 22 residues pruned to eliminate duplicates Z: 70 95.750 2.574 1.047 0.656 0.913 0.580 CB 2.073 70 residues pruned to eliminate duplicates Z: 8 7.418 1.932 0.110 0.833 0.857 0.857 CB 1.144 Z: 6 6.322 1.805 0.617 0.422 0.800 0.200 CB 1.313 6 residues pruned to eliminate duplicates Z: 10 31.936 2.207 0.801 0.891 1.000 0.778 CA 1.925 10 residues pruned to eliminate duplicates Z: 16 41.925 2.472 0.454 0.924 1.000 0.867 C 2.116 16 residues pruned to eliminate duplicates Z: 18 36.819 2.382 0.700 0.667 1.000 0.882 CA 1.889 18 residues pruned to eliminate duplicates Z: 19 62.079 2.649 0.867 0.896 1.000 0.889 CB 2.120 19 residues pruned to eliminate duplicates Z: 15 42.953 2.405 1.124 0.862 1.000 0.714 CB 1.650 15 residues pruned to eliminate duplicates Z: 7 7.384 1.584 0.224 0.754 1.000 0.667 CB 1.240 7 residues pruned to eliminate duplicates Z: 20 29.524 2.333 0.738 0.551 0.895 0.684 CB 1.777 20 residues pruned to eliminate duplicates Z: 10 38.706 2.361 1.068 0.890 1.000 0.556 CB 1.901 10 residues pruned to eliminate duplicates Z: 8 18.108 2.371 0.401 0.809 1.000 0.714 CB 1.573 8 residues pruned to eliminate duplicates Z: 8 12.725 2.089 0.128 0.868 1.000 0.857 CB 1.492 8 residues pruned to eliminate duplicates Z: 20 48.129 2.479 0.654 0.871 1.000 0.789 CB 1.964 20 residues pruned to eliminate duplicates Z: 15 46.374 2.425 1.056 0.866 1.000 0.786 CB 1.819 15 residues pruned to eliminate duplicates Z: 18 62.245 2.497 1.115 0.880 1.000 0.765 CB 2.070 18 residues pruned to eliminate duplicates Z: 13 54.587 2.546 1.237 0.840 1.000 0.417 C 2.064 13 residues pruned to eliminate duplicates Z: 37 80.013 2.621 0.645 0.896 1.000 0.833 C 2.217 37 residues pruned to eliminate duplicates Z: 7 17.419 2.277 0.314 0.719 1.000 0.833 CB 1.948 7 residues pruned to eliminate duplicates Z: 8 8.202 1.876 0.323 0.456 0.857 0.429 C 1.524 8 residues pruned to eliminate duplicates Z: 56 64.095 2.517 0.614 0.629 0.945 0.782 CB 1.993 64 residues pruned to eliminate duplicates Z: 18 54.034 2.533 0.942 0.876 0.941 0.824 CB 2.058 18 residues pruned to eliminate duplicates Z: 7 5.041 2.018 -0.183 0.868 1.000 0.833 CB 0.912 7 residues pruned to eliminate duplicates Z: 17 32.420 2.261 0.607 0.887 0.875 0.562 CB 1.837 17 residues pruned to eliminate duplicates Z: 30 57.000 2.468 0.425 0.932 1.000 0.966 C 2.102 30 residues pruned to eliminate duplicates Z: 13 13.190 2.119 0.452 0.522 0.833 0.583 CB 1.453 13 residues pruned to eliminate duplicates Z: 15 28.885 2.360 1.030 0.558 0.857 0.571 CB 1.777 15 residues pruned to eliminate duplicates Z: 37 66.938 2.590 0.431 0.894 1.000 0.889 CB 2.159 37 residues pruned to eliminate duplicates Z: 12 43.076 2.482 0.805 0.923 1.000 0.545 C 2.037 12 residues pruned to eliminate duplicates Z: 53 67.262 2.444 0.844 0.586 0.962 0.673 C 1.982 53 residues pruned to eliminate duplicates Z: 11 22.191 2.317 0.783 0.527 0.900 0.600 CB 1.838 11 residues pruned to eliminate duplicates Z: 7 6.713 1.652 0.682 0.401 0.833 0.333 N 1.314 7 residues pruned to eliminate duplicates Z: 66 74.682 2.459 0.996 0.576 0.923 0.615 CB 1.900 66 residues pruned to eliminate duplicates Z: 30 63.259 2.491 0.556 0.945 1.000 0.966 C 2.097 30 residues pruned to eliminate duplicates Z: 8 20.780 2.065 0.664 0.918 1.000 0.857 CB 1.612 8 residues pruned to eliminate duplicates Z: 20 36.180 2.398 0.903 0.595 0.947 0.632 CB 1.754 21 residues pruned to eliminate duplicates Z: 30 57.370 2.586 0.932 0.599 0.931 0.655 CB 2.084 30 residues pruned to eliminate duplicates Z: 13 44.299 2.524 1.226 0.808 0.833 0.667 CB 2.089 13 residues pruned to eliminate duplicates Z: 61 55.792 2.320 0.767 0.505 0.983 0.617 CB 1.778 61 residues pruned to eliminate duplicates Z: 9 35.170 2.360 0.977 0.888 1.000 0.875 CB 1.920 9 residues pruned to eliminate duplicates Z: 7 7.758 1.517 0.544 0.738 1.000 0.667 CB 1.092 7 residues pruned to eliminate duplicates Z: 15 41.008 2.312 0.769 0.914 1.000 0.929 CB 1.894 15 residues pruned to eliminate duplicates Z: 13 17.278 2.222 0.286 0.483 1.000 0.833 CB 1.776 13 residues pruned to eliminate duplicates Z: 54 57.324 2.349 0.870 0.549 0.943 0.717 CB 1.811 54 residues pruned to eliminate duplicates Z: 16 29.133 2.519 0.091 0.904 1.000 0.867 CB 1.950 16 residues pruned to eliminate duplicates Z: 15 20.205 2.126 0.397 0.573 1.000 0.786 CB 1.694 15 residues pruned to eliminate duplicates Z: 8 15.965 2.160 0.240 0.864 1.000 0.857 CB 1.652 Z: 19 62.604 2.627 0.948 0.837 0.944 0.889 CA 2.283 19 residues pruned to eliminate duplicates Z: 10 35.431 2.397 0.900 0.899 1.000 0.889 C 1.854 10 residues pruned to eliminate duplicates Z: 30 66.165 2.484 0.812 0.910 0.966 0.862 CB 2.004 30 residues pruned to eliminate duplicates Z: 8 17.164 2.280 0.289 0.860 1.000 0.857 CA 1.624 8 residues pruned to eliminate duplicates Z: 10 15.378 2.188 0.594 0.554 0.778 0.667 C 1.793 10 residues pruned to eliminate duplicates Z: 75 125.734 2.725 0.935 0.770 0.959 0.743 C 2.275 75 residues pruned to eliminate duplicates Z: 102 134.375 2.657 0.924 0.753 0.950 0.703 CB 2.196 110 residues pruned to eliminate duplicates Z: 13 30.715 2.586 0.558 0.590 0.917 0.750 C 2.203 13 residues pruned to eliminate duplicates Z: 9 10.591 1.982 0.251 0.761 0.875 0.750 CA 1.368 9 residues pruned to eliminate duplicates Z: 16 22.238 2.153 0.713 0.421 1.000 0.733 CB 1.690 16 residues pruned to eliminate duplicates Z: 10 13.390 2.107 0.025 0.564 1.000 1.000 C 1.942 10 residues pruned to eliminate duplicates Z: 9 12.490 2.003 0.400 0.611 1.000 0.875 CB 1.417 9 residues pruned to eliminate duplicates Z: 13 15.204 2.125 0.317 0.599 0.917 0.583 CB 1.557 13 residues pruned to eliminate duplicates Z: 15 31.328 2.397 0.603 0.629 1.000 0.714 CB 1.931 15 residues pruned to eliminate duplicates Z: 59 54.456 2.418 0.688 0.570 0.931 0.621 CB 1.758 59 residues pruned to eliminate duplicates Z: 27 66.775 2.462 0.759 0.922 1.000 0.692 C 2.126 27 residues pruned to eliminate duplicates Z: 20 70.189 2.779 0.933 0.850 0.947 0.842 CB 2.343 20 residues pruned to eliminate duplicates Z: 28 46.061 2.404 0.979 0.589 0.889 0.556 CB 1.925 28 residues pruned to eliminate duplicates Z: 38 66.608 2.528 0.975 0.660 0.946 0.622 CB 1.999 38 residues pruned to eliminate duplicates Z: 30 62.509 2.492 0.517 0.943 1.000 0.862 C 2.129 30 residues pruned to eliminate duplicates Z: 22 28.013 2.271 0.654 0.576 0.810 0.714 C 1.867 22 residues pruned to eliminate duplicates Z: 17 27.746 2.348 0.965 0.466 0.875 0.812 CB 1.778 17 residues pruned to eliminate duplicates Z: 19 26.561 2.216 0.573 0.841 0.889 0.611 CB 1.507 19 residues pruned to eliminate duplicates Z: 35 73.972 2.596 0.577 0.915 1.000 0.853 C 2.191 35 residues pruned to eliminate duplicates Z: 70 119.658 2.671 0.948 0.773 0.971 0.710 CB 2.238 70 residues pruned to eliminate duplicates Z: 17 22.621 2.206 0.488 0.515 0.938 0.688 CB 1.810 17 residues pruned to eliminate duplicates Z: 45 80.851 2.569 1.049 0.637 1.000 0.727 CB 2.037 45 residues pruned to eliminate duplicates Z: 6 3.390 1.385 0.588 0.300 1.000 0.400 CB 0.862 Z: 16 50.458 2.568 0.634 0.943 1.000 0.933 C 2.152 16 residues pruned to eliminate duplicates Z: 9 15.546 1.937 1.244 0.540 0.875 0.625 C 1.389 9 residues pruned to eliminate duplicates Z: 8 9.794 1.823 0.701 0.836 1.000 0.571 CB 0.893 8 residues pruned to eliminate duplicates Z: 7 13.386 2.164 0.265 0.816 1.000 0.833 CB 1.517 7 residues pruned to eliminate duplicates Z: 48 67.697 2.404 1.100 0.635 0.872 0.596 C 1.976 47 residues pruned to eliminate duplicates Z: 28 47.556 2.362 0.991 0.605 0.926 0.630 CB 1.902 28 residues pruned to eliminate duplicates Z: 15 34.083 2.417 0.485 0.818 0.929 0.786 C 2.075 15 residues pruned to eliminate duplicates Z: 17 31.682 2.218 0.733 0.699 1.000 0.812 CB 1.719 14 residues pruned to eliminate duplicates Z: 15 47.301 2.289 1.101 0.876 1.000 0.643 C 1.910 15 residues pruned to eliminate duplicates Z: 9 10.029 1.454 0.722 0.740 1.000 0.750 CB 1.142 9 residues pruned to eliminate duplicates Z: 26 51.436 2.433 0.824 0.755 0.960 0.800 CB 1.924 26 residues pruned to eliminate duplicates Z: 21 38.030 2.306 0.724 0.700 0.950 0.850 C 1.877 24 residues pruned to eliminate duplicates Z: 20 41.958 2.361 0.854 0.705 0.947 0.789 CB 1.925 20 residues pruned to eliminate duplicates Z: 45 106.332 2.661 1.091 0.787 1.000 0.705 C 2.238 45 residues pruned to eliminate duplicates Z: 14 20.261 2.370 0.450 0.467 0.923 0.538 CA 1.832 14 residues pruned to eliminate duplicates Z: 68 104.361 2.603 0.840 0.761 0.970 0.731 C 2.177 68 residues pruned to eliminate duplicates Z: 31 70.883 2.424 0.991 0.846 1.000 0.933 CB 1.993 31 residues pruned to eliminate duplicates Z: 7 8.127 2.112 0.403 0.299 0.833 0.833 CB 1.682 7 residues pruned to eliminate duplicates Z: 64 50.001 2.226 0.915 0.469 0.905 0.587 CB 1.686 64 residues pruned to eliminate duplicates Z: 19 42.055 2.223 0.811 0.822 1.000 0.889 CB 1.863 21 residues pruned to eliminate duplicates Z: 16 26.420 2.141 0.595 0.747 1.000 0.933 CB 1.602 16 residues pruned to eliminate duplicates Z: 24 39.690 2.240 0.686 0.753 1.000 0.870 CB 1.749 24 residues pruned to eliminate duplicates Z: 32 68.411 2.464 0.830 0.881 1.000 0.839 CB 1.972 32 residues pruned to eliminate duplicates Z: 46 99.855 2.669 1.037 0.796 0.956 0.689 C 2.211 46 residues pruned to eliminate duplicates Z: 8 3.883 1.440 0.400 0.330 1.000 0.571 CB 0.877 Z: 56 77.365 2.517 0.852 0.645 0.964 0.673 CB 2.028 56 residues pruned to eliminate duplicates Z: 37 82.963 2.539 0.887 0.914 0.972 0.694 C 2.099 37 residues pruned to eliminate duplicates Z: 12 16.121 1.950 0.814 0.502 0.818 0.636 CA 1.675 12 residues pruned to eliminate duplicates Z: 17 29.927 2.200 1.091 0.507 0.938 0.562 CB 1.724 17 residues pruned to eliminate duplicates Z: 36 86.524 2.541 0.874 0.914 1.000 0.857 C 2.173 36 residues pruned to eliminate duplicates Z: 74 115.770 2.680 0.861 0.764 0.959 0.699 C 2.242 74 residues pruned to eliminate duplicates Z: 17 21.168 2.250 0.568 0.472 0.938 0.750 CB 1.645 17 residues pruned to eliminate duplicates Z: 36 61.736 2.431 0.953 0.615 1.000 0.657 CB 1.971 36 residues pruned to eliminate duplicates Z: 10 11.705 1.971 0.659 0.364 0.889 0.667 CA 1.554 10 residues pruned to eliminate duplicates Z: 22 42.709 2.342 0.776 0.734 1.000 0.810 CB 1.816 22 residues pruned to eliminate duplicates Z: 27 61.508 2.456 0.893 0.785 1.000 0.923 CB 2.020 27 residues pruned to eliminate duplicates Z: 76 90.256 2.513 0.859 0.651 0.960 0.693 CB 2.019 76 residues pruned to eliminate duplicates Z: 12 47.394 2.535 0.944 0.848 1.000 0.909 C 2.151 12 residues pruned to eliminate duplicates Z: 80 113.996 2.606 0.833 0.755 0.987 0.734 C 2.167 80 residues pruned to eliminate duplicates Z: 17 39.899 2.243 1.168 0.886 0.875 0.562 CB 1.691 17 residues pruned to eliminate duplicates Z: 15 42.020 2.364 0.679 0.914 1.000 0.786 C 2.001 15 residues pruned to eliminate duplicates Z: 9 16.310 2.074 0.208 0.876 1.000 0.875 CA 1.673 9 residues pruned to eliminate duplicates Z: 18 27.972 2.271 0.438 0.870 0.941 0.647 CB 1.611 18 residues pruned to eliminate duplicates Z: 7 3.189 1.765 0.254 0.335 0.667 0.500 CB 1.057 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 26.680 2.145 0.640 0.859 0.917 0.917 CA 1.758 13 residues pruned to eliminate duplicates Z: 33 63.109 2.496 0.649 0.840 1.000 0.969 CB 2.022 33 residues pruned to eliminate duplicates Z: 33 54.731 2.469 0.436 0.853 1.000 0.938 CB 2.016 33 residues pruned to eliminate duplicates Z: 33 63.113 2.504 0.708 0.846 0.969 0.812 CB 2.000 33 residues pruned to eliminate duplicates Z: 33 63.431 2.504 0.687 0.855 0.969 0.906 CB 2.023 33 residues pruned to eliminate duplicates Z: 33 65.792 2.517 0.726 0.850 0.969 0.906 CB 2.046 33 residues pruned to eliminate duplicates Z: 32 71.039 2.524 0.820 0.874 0.968 0.903 CB 2.089 32 residues pruned to eliminate duplicates Z: 33 68.579 2.488 0.752 0.851 1.000 0.812 CB 2.059 33 residues pruned to eliminate duplicates Z: 34 61.086 2.442 0.675 0.825 0.970 0.879 CB 2.023 34 residues pruned to eliminate duplicates Z: 33 73.391 2.489 0.955 0.847 0.969 0.906 CB 2.043 33 residues pruned to eliminate duplicates Z: 32 71.542 2.507 0.836 0.873 1.000 0.903 CB 2.034 32 residues pruned to eliminate duplicates Z: 34 65.635 2.421 0.892 0.824 0.970 0.939 CB 1.943 34 residues pruned to eliminate duplicates Z: 33 70.896 2.490 0.874 0.843 0.969 0.875 CB 2.064 33 residues pruned to eliminate duplicates Z: 35 60.825 2.425 0.729 0.798 0.971 0.824 CB 1.974 35 residues pruned to eliminate duplicates Z: 34 60.829 2.462 0.745 0.823 0.939 0.909 CB 1.983 34 residues pruned to eliminate duplicates Z: 35 65.032 2.429 0.853 0.807 0.971 0.824 CB 1.954 35 residues pruned to eliminate duplicates Z: 34 65.520 2.467 0.824 0.828 0.939 0.788 CB 2.031 34 residues pruned to eliminate duplicates Z: 33 71.134 2.492 0.933 0.839 0.969 0.781 CB 2.012 33 residues pruned to eliminate duplicates Z: 33 74.421 2.499 0.883 0.853 1.000 0.906 CB 2.066 33 residues pruned to eliminate duplicates Z: 35 65.209 2.401 0.920 0.797 0.941 0.765 CB 1.987 35 residues pruned to eliminate duplicates Z: 33 75.359 2.507 0.966 0.851 0.969 0.875 CB 2.066 33 residues pruned to eliminate duplicates Z: 32 79.049 2.504 1.038 0.882 0.968 0.774 CB 2.080 32 residues pruned to eliminate duplicates Z: 33 73.572 2.497 0.968 0.852 0.969 0.812 CB 2.021 33 residues pruned to eliminate duplicates Z: 33 75.201 2.451 1.128 0.843 0.938 0.719 CB 2.024 33 residues pruned to eliminate duplicates Z: 134 97.058 2.405 0.870 0.604 0.910 0.699 CB 1.864 137 residues pruned to eliminate duplicates Z: 27 73.559 2.479 1.043 0.932 0.962 0.846 C 2.069 27 residues pruned to eliminate duplicates Z: 58 72.385 2.417 0.852 0.725 0.912 0.702 CB 1.915 58 residues pruned to eliminate duplicates Z: 131 86.377 2.319 0.816 0.572 0.946 0.685 CB 1.774 131 residues pruned to eliminate duplicates Z: 39 75.268 2.449 1.125 0.728 0.947 0.763 CB 2.017 39 residues pruned to eliminate duplicates Z: 59 79.934 2.436 0.929 0.729 0.948 0.759 CB 1.916 59 residues pruned to eliminate duplicates Z: 30 43.273 2.349 0.759 0.681 0.897 0.621 CB 1.837 30 residues pruned to eliminate duplicates Z: 42 60.086 2.358 0.933 0.681 0.951 0.732 CB 1.832 42 residues pruned to eliminate duplicates Z: 28 30.817 2.341 0.457 0.672 0.852 0.630 CB 1.742 28 residues pruned to eliminate duplicates Z: 29 32.712 2.278 0.639 0.644 0.857 0.643 CB 1.689 29 residues pruned to eliminate duplicates Z: 28 42.124 2.381 0.576 0.682 0.926 0.704 CB 1.973 28 residues pruned to eliminate duplicates Z: 28 45.078 2.415 0.794 0.665 0.889 0.556 CB 1.935 28 residues pruned to eliminate duplicates Z: 31 38.426 2.275 0.690 0.630 0.933 0.700 CB 1.730 31 residues pruned to eliminate duplicates Z: 24 31.682 2.349 0.466 0.700 0.913 0.652 CB 1.750 24 residues pruned to eliminate duplicates Z: 31 32.669 2.236 0.699 0.607 0.833 0.667 CB 1.701 31 residues pruned to eliminate duplicates Z: 32 35.008 2.226 0.632 0.623 0.871 0.581 CB 1.769 32 residues pruned to eliminate duplicates Z: 22 44.671 2.499 0.654 0.717 0.952 0.762 CB 2.035 22 residues pruned to eliminate duplicates Z: 25 37.993 2.377 0.531 0.660 0.958 0.583 CB 1.917 25 residues pruned to eliminate duplicates Z: 27 33.456 2.395 0.495 0.654 0.885 0.577 CB 1.794 27 residues pruned to eliminate duplicates Z: 38 37.561 2.276 0.690 0.569 0.919 0.649 CB 1.634 38 residues pruned to eliminate duplicates Z: 57 72.659 2.434 0.891 0.747 0.893 0.679 CB 1.894 57 residues pruned to eliminate duplicates Z: 25 44.934 2.475 0.706 0.757 0.917 0.750 CB 1.886 25 residues pruned to eliminate duplicates Z: 29 45.474 2.392 0.755 0.692 0.893 0.607 CB 1.924 29 residues pruned to eliminate duplicates Z: 28 47.029 2.330 0.862 0.689 0.926 0.630 CB 1.893 28 residues pruned to eliminate duplicates Z: 24 47.528 2.449 0.877 0.671 0.913 0.696 CB 2.017 24 residues pruned to eliminate duplicates Z: 10 45.415 2.618 1.167 0.911 0.889 0.778 C 2.128 10 residues pruned to eliminate duplicates Z: 32 42.252 2.339 0.806 0.618 0.903 0.645 CB 1.779 32 residues pruned to eliminate duplicates Z: 67 76.307 2.416 0.917 0.682 0.939 0.682 CB 1.826 65 residues pruned to eliminate duplicates Z: 20 39.741 2.339 0.698 0.756 1.000 0.632 CB 1.829 20 residues pruned to eliminate duplicates Z: 31 44.172 2.356 0.978 0.619 0.900 0.700 CB 1.719 31 residues pruned to eliminate duplicates Z: 18 41.375 2.487 0.981 0.594 1.000 0.765 CB 1.861 18 residues pruned to eliminate duplicates Z: 29 46.021 2.466 0.771 0.627 0.929 0.714 CB 1.904 29 residues pruned to eliminate duplicates Z: 61 63.891 2.357 0.873 0.554 0.967 0.667 CB 1.833 61 residues pruned to eliminate duplicates Z: 14 16.030 2.140 0.706 0.295 0.923 0.538 CB 1.660 14 residues pruned to eliminate duplicates Z: 38 51.679 2.370 1.003 0.571 0.919 0.568 CB 1.818 38 residues pruned to eliminate duplicates Z: 72 62.185 2.327 0.851 0.523 0.930 0.648 CB 1.803 72 residues pruned to eliminate duplicates Z: 40 61.737 2.504 0.886 0.615 0.949 0.718 CB 1.979 40 residues pruned to eliminate duplicates Z: 11 37.458 2.582 1.124 0.642 0.900 0.900 CB 2.101 11 residues pruned to eliminate duplicates Z: 19 36.155 2.343 1.025 0.553 0.944 0.722 CB 1.806 19 residues pruned to eliminate duplicates Z: 79 69.470 2.389 0.817 0.576 0.936 0.654 CB 1.800 79 residues pruned to eliminate duplicates Z: 22 40.753 2.321 1.200 0.528 0.952 0.524 CB 1.779 22 residues pruned to eliminate duplicates Z: 83 72.170 2.370 0.865 0.557 0.927 0.610 CB 1.840 83 residues pruned to eliminate duplicates Z: 40 58.892 2.520 0.756 0.652 0.949 0.590 CB 1.951 40 residues pruned to eliminate duplicates Z: 71 53.142 2.368 0.671 0.478 0.914 0.614 CB 1.795 71 residues pruned to eliminate duplicates Z: 43 47.933 2.386 0.806 0.536 0.929 0.619 CB 1.784 43 residues pruned to eliminate duplicates Z: 48 45.080 2.235 0.853 0.520 0.915 0.638 CB 1.702 48 residues pruned to eliminate duplicates Z: 97 63.354 2.351 0.731 0.522 0.875 0.583 CB 1.777 97 residues pruned to eliminate duplicates Z: 56 54.351 2.321 0.777 0.553 0.945 0.691 CB 1.785 56 residues pruned to eliminate duplicates Z: 72 58.789 2.389 0.664 0.506 0.958 0.704 CB 1.823 71 residues pruned to eliminate duplicates Z: 6 10.226 1.765 0.753 0.585 1.000 0.600 C 1.362 6 residues pruned to eliminate duplicates Z: 46 53.909 2.367 0.968 0.546 0.911 0.733 CB 1.810 46 residues pruned to eliminate duplicates Z: 53 54.262 2.402 0.784 0.564 0.923 0.788 CB 1.788 53 residues pruned to eliminate duplicates Z: 62 52.509 2.348 0.841 0.491 0.902 0.672 CB 1.741 62 residues pruned to eliminate duplicates Z: 62 52.693 2.348 0.821 0.488 0.902 0.623 CB 1.772 62 residues pruned to eliminate duplicates Z: 62 55.247 2.310 0.876 0.503 0.934 0.656 CB 1.741 62 residues pruned to eliminate duplicates Z: 86 72.144 2.432 0.819 0.584 0.906 0.682 CB 1.801 86 residues pruned to eliminate duplicates Z: 45 45.463 2.327 0.789 0.524 0.932 0.636 CB 1.726 45 residues pruned to eliminate duplicates Z: 71 60.988 2.412 0.807 0.508 0.914 0.743 CB 1.815 71 residues pruned to eliminate duplicates Z: 45 52.545 2.342 1.058 0.571 0.886 0.727 CB 1.732 45 residues pruned to eliminate duplicates Z: 64 55.626 2.290 0.812 0.491 0.952 0.651 CB 1.790 64 residues pruned to eliminate duplicates Z: 63 55.384 2.311 0.849 0.518 0.919 0.742 CB 1.760 63 residues pruned to eliminate duplicates Z: 19 28.620 2.205 1.145 0.490 0.889 0.611 CB 1.621 19 residues pruned to eliminate duplicates Z: 44 47.744 2.357 0.916 0.547 0.907 0.698 CB 1.698 44 residues pruned to eliminate duplicates Z: 65 53.930 2.269 0.899 0.492 0.906 0.672 CB 1.740 65 residues pruned to eliminate duplicates Z: 15 40.302 2.355 0.567 0.925 1.000 1.000 C 2.049 15 residues pruned to eliminate duplicates Z: 72 59.689 2.347 0.840 0.493 0.958 0.634 CB 1.724 72 residues pruned to eliminate duplicates Z: 45 53.549 2.329 1.021 0.559 0.932 0.682 CB 1.739 45 residues pruned to eliminate duplicates Z: 44 50.915 2.366 1.015 0.546 0.884 0.628 CB 1.762 44 residues pruned to eliminate duplicates Z: 61 57.633 2.353 0.882 0.508 0.950 0.633 CB 1.755 61 residues pruned to eliminate duplicates Z: 58 52.822 2.271 1.007 0.467 0.912 0.649 CB 1.740 58 residues pruned to eliminate duplicates Z: 61 55.650 2.339 0.907 0.487 0.933 0.567 CB 1.748 61 residues pruned to eliminate duplicates Z: 27 41.466 2.325 0.893 0.647 0.923 0.654 CB 1.745 27 residues pruned to eliminate duplicates Z: 62 56.688 2.325 0.918 0.497 0.934 0.689 CB 1.748 62 residues pruned to eliminate duplicates Z: 55 60.958 2.343 0.999 0.552 0.944 0.722 CB 1.783 55 residues pruned to eliminate duplicates Z: 72 61.342 2.353 0.866 0.526 0.944 0.704 CB 1.712 72 residues pruned to eliminate duplicates Z: 67 56.809 2.292 0.941 0.468 0.924 0.576 CB 1.757 67 residues pruned to eliminate duplicates Z: 61 55.829 2.354 0.892 0.488 0.933 0.650 CB 1.755 61 residues pruned to eliminate duplicates Z: 46 54.796 2.308 1.075 0.547 0.911 0.622 CB 1.788 46 residues pruned to eliminate duplicates Z: 60 55.913 2.385 0.908 0.499 0.898 0.661 CB 1.783 60 residues pruned to eliminate duplicates Z: 45 52.020 2.299 1.064 0.554 0.909 0.659 CB 1.726 45 residues pruned to eliminate duplicates Z: 25 46.788 2.388 1.145 0.665 0.875 0.667 CB 1.830 25 residues pruned to eliminate duplicates Z: 67 76.460 2.482 0.879 0.568 0.939 0.621 CB 2.011 69 residues pruned to eliminate duplicates Z: 7 6.452 1.710 0.432 0.340 1.000 0.667 CA 1.281 7 residues pruned to eliminate duplicates Z: 72 59.042 2.368 0.801 0.506 0.930 0.676 CB 1.757 72 residues pruned to eliminate duplicates Z: 63 57.582 2.276 0.922 0.493 0.984 0.661 CB 1.711 63 residues pruned to eliminate duplicates Z: 70 61.639 2.389 0.813 0.521 0.942 0.696 CB 1.781 70 residues pruned to eliminate duplicates Z: 69 60.478 2.349 0.822 0.533 0.926 0.647 CB 1.790 69 residues pruned to eliminate duplicates Z: 25 19.064 2.199 0.545 0.341 0.875 0.500 CB 1.555 25 residues pruned to eliminate duplicates Z: 28 30.304 2.292 0.645 0.408 1.000 0.667 CB 1.704 28 residues pruned to eliminate duplicates Z: 128 112.320 2.493 0.909 0.620 0.921 0.661 CB 2.029 128 residues pruned to eliminate duplicates Z: 70 69.980 2.411 0.922 0.510 0.971 0.710 CB 1.854 70 residues pruned to eliminate duplicates Z: 43 47.054 2.377 0.773 0.508 0.952 0.690 CB 1.796 43 residues pruned to eliminate duplicates Z: 62 58.573 2.331 0.974 0.487 0.951 0.639 CB 1.736 62 residues pruned to eliminate duplicates Z: 71 68.021 2.416 0.897 0.508 0.957 0.700 CB 1.837 71 residues pruned to eliminate duplicates Z: 119 110.620 2.472 0.869 0.643 0.949 0.661 CB 2.033 119 residues pruned to eliminate duplicates Z: 43 44.452 2.414 0.755 0.500 0.905 0.643 CB 1.789 43 residues pruned to eliminate duplicates Z: 29 26.670 2.250 0.619 0.354 0.929 0.643 CB 1.745 29 residues pruned to eliminate duplicates Z: 42 52.017 2.400 0.779 0.554 0.976 0.707 CB 1.851 42 residues pruned to eliminate duplicates Z: 78 56.389 2.314 0.761 0.491 0.948 0.675 CB 1.678 78 residues pruned to eliminate duplicates Z: 44 48.316 2.354 0.868 0.492 0.953 0.581 CB 1.772 44 residues pruned to eliminate duplicates Z: 61 58.467 2.362 0.933 0.505 0.933 0.650 CB 1.763 61 residues pruned to eliminate duplicates Z: 61 62.420 2.343 0.953 0.518 0.950 0.550 CB 1.821 61 residues pruned to eliminate duplicates Z: 68 93.195 2.583 0.673 0.721 0.985 0.672 C 2.191 68 residues pruned to eliminate duplicates Z: 67 106.694 2.650 0.855 0.768 0.955 0.773 C 2.207 67 residues pruned to eliminate duplicates Z: 80 125.799 2.693 0.952 0.765 0.962 0.747 C 2.212 80 residues pruned to eliminate duplicates Z: 71 111.611 2.652 0.907 0.774 0.957 0.786 C 2.162 71 residues pruned to eliminate duplicates Z: 60 102.730 2.653 0.782 0.832 0.966 0.695 C 2.199 60 residues pruned to eliminate duplicates Z: 69 115.766 2.730 0.812 0.804 0.956 0.779 C 2.277 69 residues pruned to eliminate duplicates Z: 71 107.960 2.666 0.784 0.764 0.971 0.729 C 2.209 71 residues pruned to eliminate duplicates Z: 69 106.749 2.686 0.837 0.768 0.941 0.765 C 2.197 69 residues pruned to eliminate duplicates Z: 104 125.979 2.616 0.877 0.739 0.951 0.602 C 2.144 104 residues pruned to eliminate duplicates Z: 70 106.759 2.708 0.763 0.766 0.942 0.725 C 2.257 70 residues pruned to eliminate duplicates Z: 101 128.001 2.623 0.942 0.712 0.940 0.680 C 2.205 101 residues pruned to eliminate duplicates Z: 69 114.984 2.686 0.903 0.772 0.956 0.735 C 2.244 69 residues pruned to eliminate duplicates Z: 28 70.327 2.623 1.067 0.705 0.926 0.519 C 2.236 28 residues pruned to eliminate duplicates Z: 69 128.973 2.715 0.997 0.792 0.985 0.765 C 2.266 69 residues pruned to eliminate duplicates Z: 71 109.427 2.654 0.831 0.777 0.957 0.729 C 2.203 71 residues pruned to eliminate duplicates Z: 60 115.948 2.674 0.953 0.839 0.966 0.763 C 2.235 60 residues pruned to eliminate duplicates Z: 71 111.062 2.676 0.864 0.773 0.943 0.729 C 2.219 71 residues pruned to eliminate duplicates Z: 70 117.287 2.709 0.821 0.786 0.986 0.710 C 2.260 70 residues pruned to eliminate duplicates Z: 82 137.641 2.709 1.020 0.786 0.975 0.667 C 2.228 82 residues pruned to eliminate duplicates Z: 71 117.656 2.679 0.925 0.782 0.957 0.700 C 2.222 71 residues pruned to eliminate duplicates Z: 71 117.059 2.660 0.887 0.771 0.986 0.714 C 2.226 71 residues pruned to eliminate duplicates Z: 71 118.822 2.668 0.962 0.761 0.971 0.671 C 2.215 71 residues pruned to eliminate duplicates Z: 59 115.692 2.699 0.992 0.831 0.931 0.741 C 2.280 59 residues pruned to eliminate duplicates Z: 71 117.689 2.676 0.957 0.766 0.957 0.686 C 2.217 71 residues pruned to eliminate duplicates Z: 59 112.822 2.716 0.822 0.823 0.983 0.741 C 2.302 59 residues pruned to eliminate duplicates Z: 59 116.165 2.701 0.879 0.839 1.000 0.776 C 2.245 59 residues pruned to eliminate duplicates Z: 70 103.348 2.645 0.825 0.741 0.957 0.725 C 2.171 70 residues pruned to eliminate duplicates Z: 71 115.892 2.662 0.941 0.764 0.957 0.729 C 2.216 71 residues pruned to eliminate duplicates Z: 99 134.604 2.677 0.916 0.729 0.959 0.735 CB 2.249 99 residues pruned to eliminate duplicates Z: 48 78.082 2.609 0.653 0.759 0.957 0.766 C 2.191 48 residues pruned to eliminate duplicates Z: 72 112.949 2.650 0.868 0.762 0.972 0.676 C 2.208 72 residues pruned to eliminate duplicates Z: 39 73.449 2.567 0.683 0.794 0.974 0.737 C 2.188 39 residues pruned to eliminate duplicates Z: 51 85.043 2.605 0.797 0.766 0.960 0.680 C 2.114 51 residues pruned to eliminate duplicates Z: 60 106.653 2.658 0.885 0.806 0.949 0.661 C 2.235 60 residues pruned to eliminate duplicates Z: 70 108.618 2.637 0.892 0.746 0.971 0.652 C 2.167 70 residues pruned to eliminate duplicates Z: 62 106.036 2.593 0.960 0.798 0.951 0.738 C 2.164 62 residues pruned to eliminate duplicates Z: 70 122.251 2.684 0.941 0.777 0.986 0.783 C 2.244 70 residues pruned to eliminate duplicates Z: 75 99.865 2.538 0.822 0.735 0.959 0.770 C 2.119 75 residues pruned to eliminate duplicates Z: 39 71.504 2.553 0.768 0.807 0.947 0.816 C 2.075 39 residues pruned to eliminate duplicates Z: 51 75.245 2.549 0.726 0.704 0.940 0.760 C 2.136 51 residues pruned to eliminate duplicates Z: 71 117.688 2.671 0.939 0.770 0.971 0.743 C 2.202 71 residues pruned to eliminate duplicates Z: 65 101.343 2.614 0.871 0.735 0.953 0.719 CB 2.201 65 residues pruned to eliminate duplicates Z: 64 109.492 2.656 0.927 0.768 0.952 0.714 C 2.232 64 residues pruned to eliminate duplicates Z: 52 80.655 2.578 0.750 0.714 0.961 0.765 CB 2.146 52 residues pruned to eliminate duplicates Z: 68 119.239 2.692 0.901 0.792 0.985 0.687 C 2.236 68 residues pruned to eliminate duplicates Z: 70 126.553 2.725 1.014 0.776 0.957 0.739 CB 2.274 70 residues pruned to eliminate duplicates Z: 48 86.956 2.623 0.793 0.777 0.979 0.787 C 2.157 48 residues pruned to eliminate duplicates Z: 59 118.006 2.691 0.904 0.822 1.000 0.690 C 2.287 59 residues pruned to eliminate duplicates Z: 82 129.188 2.680 0.927 0.778 0.975 0.728 CB 2.230 82 residues pruned to eliminate duplicates Z: 50 73.717 2.557 0.690 0.703 0.959 0.755 C 2.111 50 residues pruned to eliminate duplicates Z: 70 122.585 2.699 0.958 0.782 0.971 0.725 C 2.244 70 residues pruned to eliminate duplicates Z: 70 124.424 2.707 0.928 0.783 0.986 0.667 C 2.270 70 residues pruned to eliminate duplicates Z: 54 73.082 2.470 0.651 0.715 0.981 0.774 C 2.064 54 residues pruned to eliminate duplicates Z: 69 124.237 2.739 0.896 0.795 0.971 0.779 C 2.307 69 residues pruned to eliminate duplicates Z: 66 102.477 2.602 0.843 0.783 0.969 0.815 CB 2.131 66 residues pruned to eliminate duplicates Z: 69 123.579 2.714 0.918 0.789 0.985 0.721 C 2.267 69 residues pruned to eliminate duplicates Z: 84 131.146 2.666 0.979 0.764 0.964 0.687 C 2.241 84 residues pruned to eliminate duplicates Z: 68 114.452 2.701 0.815 0.782 0.985 0.731 C 2.260 68 residues pruned to eliminate duplicates Z: 73 105.635 2.601 0.860 0.754 0.958 0.694 C 2.141 73 residues pruned to eliminate duplicates Z: 49 71.814 2.548 0.648 0.727 0.938 0.792 CB 2.145 49 residues pruned to eliminate duplicates Z: 49 77.840 2.581 0.677 0.739 0.958 0.812 CB 2.185 49 residues pruned to eliminate duplicates Z: 16 26.602 2.410 0.772 0.474 0.933 0.733 CB 1.770 16 residues pruned to eliminate duplicates Z: 70 117.212 2.665 0.866 0.772 1.000 0.768 CB 2.230 70 residues pruned to eliminate duplicates Z: 48 81.235 2.604 0.733 0.760 0.957 0.787 CB 2.178 48 residues pruned to eliminate duplicates Z: 84 125.816 2.656 0.942 0.782 0.952 0.699 CB 2.194 84 residues pruned to eliminate duplicates Z: 62 91.679 2.585 0.800 0.747 0.951 0.738 C 2.127 62 residues pruned to eliminate duplicates Z: 68 101.930 2.569 0.902 0.765 0.940 0.701 C 2.144 68 residues pruned to eliminate duplicates Z: 16 36.241 2.534 0.938 0.701 0.933 0.667 CB 1.700 16 residues pruned to eliminate duplicates Z: 98 135.597 2.665 0.901 0.730 0.990 0.691 CB 2.233 98 residues pruned to eliminate duplicates Z: 32 52.000 2.515 1.018 0.554 0.903 0.581 CB 1.933 32 residues pruned to eliminate duplicates Z: 81 114.088 2.661 0.818 0.778 0.938 0.762 C 2.201 81 residues pruned to eliminate duplicates Z: 83 125.114 2.668 0.856 0.790 0.988 0.768 CB 2.189 83 residues pruned to eliminate duplicates Z: 35 64.416 2.557 0.917 0.674 0.971 0.647 CB 1.977 35 residues pruned to eliminate duplicates Z: 16 34.355 2.436 1.099 0.657 0.867 0.467 CB 1.731 16 residues pruned to eliminate duplicates Z: 15 40.388 2.458 1.150 0.756 0.929 0.643 CB 1.752 15 residues pruned to eliminate duplicates Z: 61 84.195 2.541 0.880 0.683 0.917 0.733 C 2.098 61 residues pruned to eliminate duplicates Z: 22 26.823 2.220 0.817 0.564 0.857 0.476 CB 1.591 22 residues pruned to eliminate duplicates Z: 19 34.312 2.280 1.242 0.541 0.833 0.444 C 1.825 19 residues pruned to eliminate duplicates Z: 20 40.742 2.587 0.757 0.563 0.947 0.632 CB 2.042 20 residues pruned to eliminate duplicates Z: 21 34.830 2.482 0.661 0.503 0.950 0.700 CB 1.983 21 residues pruned to eliminate duplicates Z: 25 28.139 2.232 0.775 0.437 0.833 0.458 C 1.857 25 residues pruned to eliminate duplicates Z: 20 44.427 2.513 0.770 0.564 1.000 0.526 CB 2.153 20 residues pruned to eliminate duplicates Z: 18 36.992 2.557 0.889 0.416 0.941 0.529 C 2.156 18 residues pruned to eliminate duplicates Z: 21 40.324 2.496 0.783 0.524 0.950 0.750 CA 2.084 21 residues pruned to eliminate duplicates Z: 18 37.622 2.543 0.769 0.478 1.000 0.647 C 2.073 18 residues pruned to eliminate duplicates Z: 21 36.131 2.508 0.673 0.526 0.900 0.600 C 2.086 21 residues pruned to eliminate duplicates Z: 104 136.387 2.636 0.955 0.739 0.971 0.641 C 2.168 104 residues pruned to eliminate duplicates Z: 21 47.655 2.574 0.912 0.557 0.950 0.600 C 2.156 21 residues pruned to eliminate duplicates Z: 22 48.674 2.546 0.917 0.536 0.952 0.714 CA 2.204 22 residues pruned to eliminate duplicates Z: 19 49.064 2.622 0.869 0.575 1.000 0.722 C 2.195 19 residues pruned to eliminate duplicates Z: 22 39.311 2.509 0.689 0.524 0.952 0.571 CB 2.076 22 residues pruned to eliminate duplicates Z: 19 40.868 2.615 0.793 0.550 0.889 0.722 C 2.203 19 residues pruned to eliminate duplicates Z: 20 29.375 2.307 0.848 0.423 0.895 0.579 C 1.914 20 residues pruned to eliminate duplicates Z: 16 28.004 2.296 0.986 0.421 0.867 0.467 C 1.987 16 residues pruned to eliminate duplicates Z: 19 31.832 2.419 0.540 0.573 1.000 0.778 CA 1.878 19 residues pruned to eliminate duplicates Z: 75 91.626 2.504 0.907 0.645 0.959 0.662 CB 2.030 75 residues pruned to eliminate duplicates Z: 19 35.895 2.404 0.760 0.555 1.000 0.722 CB 1.895 19 residues pruned to eliminate duplicates Z: 38 50.510 2.499 0.671 0.496 0.973 0.730 C 2.052 38 residues pruned to eliminate duplicates Z: 170 139.860 2.534 0.864 0.672 0.941 0.645 CB 2.065 170 residues pruned to eliminate duplicates Z: 72 98.945 2.572 1.014 0.649 0.958 0.662 CB 2.059 72 residues pruned to eliminate duplicates Z: 22 27.895 2.237 0.624 0.531 0.905 0.667 CA 1.797 22 residues pruned to eliminate duplicates Z: 58 67.866 2.414 0.812 0.573 0.965 0.614 CB 1.984 58 residues pruned to eliminate duplicates Z: 41 57.899 2.439 0.742 0.635 0.975 0.750 CB 1.947 41 residues pruned to eliminate duplicates Z: 44 53.747 2.465 0.855 0.571 0.860 0.558 CB 1.946 44 residues pruned to eliminate duplicates Z: 45 75.614 2.533 0.933 0.658 1.000 0.659 CB 2.011 45 residues pruned to eliminate duplicates Z: 57 62.104 2.381 0.763 0.592 0.911 0.732 C 1.988 57 residues pruned to eliminate duplicates Z: 37 68.140 2.570 0.801 0.680 1.000 0.722 CB 2.079 37 residues pruned to eliminate duplicates Z: 34 45.978 2.388 0.785 0.559 0.909 0.576 CB 1.949 34 residues pruned to eliminate duplicates Z: 21 41.368 2.443 0.761 0.578 1.000 0.700 CB 1.995 21 residues pruned to eliminate duplicates Z: 39 59.081 2.510 0.751 0.619 0.974 0.658 CB 2.002 39 residues pruned to eliminate duplicates Z: 92 106.407 2.556 0.944 0.647 0.934 0.670 C 2.095 91 residues pruned to eliminate duplicates Z: 6 8.272 1.788 0.975 0.438 1.000 1.000 C 1.117 6 residues pruned to eliminate duplicates Z: 91 95.296 2.486 0.958 0.595 0.933 0.667 CB 2.021 90 residues pruned to eliminate duplicates Z: 20 50.818 2.533 0.767 0.765 1.000 0.632 CB 2.059 20 residues pruned to eliminate duplicates Z: 47 66.835 2.455 0.961 0.605 0.935 0.630 CB 1.981 47 residues pruned to eliminate duplicates Z: 128 119.916 2.554 0.823 0.661 0.945 0.740 CB 2.084 128 residues pruned to eliminate duplicates Z: 39 70.373 2.542 0.893 0.688 0.974 0.658 CB 2.051 39 residues pruned to eliminate duplicates Z: 59 65.919 2.433 0.870 0.551 0.914 0.655 CB 1.982 59 residues pruned to eliminate duplicates Z: 45 75.254 2.502 1.136 0.626 0.932 0.659 CB 2.024 45 residues pruned to eliminate duplicates Z: 104 100.225 2.519 0.906 0.617 0.913 0.612 CB 2.018 104 residues pruned to eliminate duplicates Z: 37 67.770 2.564 0.825 0.659 1.000 0.694 CB 2.082 37 residues pruned to eliminate duplicates Z: 76 81.954 2.486 0.817 0.636 0.920 0.653 CB 2.004 76 residues pruned to eliminate duplicates Z: 27 56.831 2.455 0.979 0.681 0.962 0.654 C 2.019 27 residues pruned to eliminate duplicates Z: 37 67.951 2.560 0.889 0.684 0.944 0.694 CB 2.095 37 residues pruned to eliminate duplicates Z: 29 61.440 2.521 1.038 0.716 0.964 0.714 CB 1.927 29 residues pruned to eliminate duplicates Z: 94 100.037 2.487 0.911 0.624 0.957 0.624 CB 2.029 94 residues pruned to eliminate duplicates Z: 29 56.258 2.565 0.988 0.653 0.893 0.714 CB 2.027 29 residues pruned to eliminate duplicates Z: 71 92.825 2.593 0.941 0.654 0.943 0.671 CB 2.026 71 residues pruned to eliminate duplicates Z: 37 64.719 2.547 0.811 0.616 1.000 0.667 CB 2.094 37 residues pruned to eliminate duplicates Z: 81 85.029 2.453 0.963 0.640 0.913 0.637 CB 1.897 81 residues pruned to eliminate duplicates Z: 73 86.220 2.535 0.905 0.622 0.931 0.583 CB 2.016 73 residues pruned to eliminate duplicates Z: 93 98.441 2.527 1.026 0.629 0.880 0.641 CB 2.017 93 residues pruned to eliminate duplicates Z: 96 103.882 2.508 0.921 0.633 0.937 0.589 CB 2.083 96 residues pruned to eliminate duplicates Z: 21 34.306 2.284 1.019 0.448 0.950 0.500 C 1.848 21 residues pruned to eliminate duplicates Z: 52 68.287 2.464 1.021 0.627 0.863 0.569 CB 1.974 52 residues pruned to eliminate duplicates Z: 72 88.271 2.475 1.055 0.588 0.944 0.521 CB 2.007 72 residues pruned to eliminate duplicates Z: 52 72.373 2.525 0.839 0.593 0.980 0.627 CB 2.037 52 residues pruned to eliminate duplicates Z: 36 62.708 2.489 0.971 0.648 0.943 0.629 CB 1.997 36 residues pruned to eliminate duplicates Z: 93 103.592 2.544 1.080 0.633 0.891 0.587 CB 2.020 93 residues pruned to eliminate duplicates Z: 34 58.210 2.505 0.936 0.654 0.909 0.697 CB 1.991 34 residues pruned to eliminate duplicates Z: 60 90.690 2.534 1.044 0.676 0.949 0.644 CB 2.043 60 residues pruned to eliminate duplicates Z: 33 61.907 2.511 1.005 0.646 0.938 0.625 C 2.023 33 residues pruned to eliminate duplicates Z: 72 102.526 2.585 1.005 0.646 0.986 0.592 CB 2.078 72 residues pruned to eliminate duplicates Z: 58 73.175 2.468 0.965 0.602 0.930 0.649 C 1.950 59 residues pruned to eliminate duplicates Z: 34 67.102 2.463 0.891 0.810 0.939 0.515 CB 2.039 34 residues pruned to eliminate duplicates Z: 27 45.610 2.421 0.861 0.683 0.846 0.654 CB 1.984 27 residues pruned to eliminate duplicates Z: 55 56.464 2.382 0.859 0.538 0.870 0.574 CB 1.920 55 residues pruned to eliminate duplicates Z: 80 91.624 2.478 0.909 0.650 0.962 0.582 CB 1.969 79 residues pruned to eliminate duplicates Z: 31 80.392 2.528 1.098 0.903 0.967 0.633 C 2.041 31 residues pruned to eliminate duplicates Z: 25 45.339 2.450 0.716 0.755 0.917 0.708 C 1.914 25 residues pruned to eliminate duplicates Z: 53 77.868 2.504 0.998 0.642 0.923 0.577 CB 2.047 54 residues pruned to eliminate duplicates Z: 17 54.573 2.555 0.904 0.865 0.938 0.750 C 2.191 17 residues pruned to eliminate duplicates Z: 72 91.237 2.567 0.935 0.645 0.944 0.662 CB 2.017 72 residues pruned to eliminate duplicates Z: 26 46.477 2.448 0.838 0.704 0.880 0.560 C 1.951 26 residues pruned to eliminate duplicates Z: 25 42.303 2.375 0.865 0.582 0.917 0.625 CB 1.965 25 residues pruned to eliminate duplicates Z: 59 73.824 2.399 0.916 0.603 0.983 0.638 C 1.946 59 residues pruned to eliminate duplicates Z: 92 97.809 2.521 0.881 0.627 0.934 0.637 CB 2.054 92 residues pruned to eliminate duplicates Z: 41 71.549 2.509 1.029 0.663 0.925 0.600 C 2.065 41 residues pruned to eliminate duplicates Z: 22 56.666 2.569 0.821 0.731 1.000 0.667 CB 2.147 22 residues pruned to eliminate duplicates Z: 60 83.091 2.540 0.878 0.668 0.949 0.678 CB 2.046 60 residues pruned to eliminate duplicates Z: 92 105.295 2.521 0.981 0.634 0.956 0.659 CB 2.038 92 residues pruned to eliminate duplicates Z: 30 73.509 2.615 0.872 0.877 0.931 0.724 C 2.175 30 residues pruned to eliminate duplicates Z: 44 57.014 2.429 0.899 0.642 0.837 0.651 C 1.972 44 residues pruned to eliminate duplicates Z: 45 65.922 2.465 0.867 0.634 0.932 0.614 CB 2.044 45 residues pruned to eliminate duplicates Z: 50 62.266 2.508 0.674 0.643 0.898 0.551 CB 2.064 50 residues pruned to eliminate duplicates Z: 47 66.543 2.426 0.940 0.647 0.913 0.565 CB 1.990 47 residues pruned to eliminate duplicates Z: 58 69.387 2.409 0.955 0.568 0.930 0.632 C 1.964 58 residues pruned to eliminate duplicates Z: 92 95.961 2.528 0.847 0.633 0.945 0.692 CB 2.013 92 residues pruned to eliminate duplicates Z: 44 63.130 2.488 0.737 0.653 0.977 0.744 CB 1.977 44 residues pruned to eliminate duplicates Z: 41 61.140 2.507 0.735 0.650 0.925 0.725 C 2.090 41 residues pruned to eliminate duplicates Z: 46 60.164 2.349 0.789 0.676 0.956 0.600 C 1.900 46 residues pruned to eliminate duplicates Z: 22 37.542 2.342 0.692 0.570 1.000 0.762 CB 1.933 22 residues pruned to eliminate duplicates Z: 23 34.032 2.300 0.830 0.535 0.909 0.773 C 1.832 23 residues pruned to eliminate duplicates Z: 22 36.508 2.376 0.789 0.587 0.905 0.667 C 1.906 22 residues pruned to eliminate duplicates Z: 20 44.528 2.501 0.827 0.589 1.000 0.895 C 2.054 20 residues pruned to eliminate duplicates Z: 23 41.455 2.334 0.897 0.567 1.000 0.909 CB 1.870 23 residues pruned to eliminate duplicates Z: 45 54.403 2.402 0.621 0.605 0.955 0.636 CB 1.996 45 residues pruned to eliminate duplicates Z: 44 59.740 2.520 0.760 0.629 0.884 0.698 CB 2.060 44 residues pruned to eliminate duplicates Z: 90 99.788 2.557 0.812 0.628 0.978 0.708 CB 2.069 90 residues pruned to eliminate duplicates Z: 22 37.989 2.349 0.846 0.553 0.952 0.714 C 1.906 22 residues pruned to eliminate duplicates Z: 90 98.513 2.507 0.879 0.626 0.978 0.685 CB 2.014 90 residues pruned to eliminate duplicates Z: 45 58.982 2.467 0.674 0.644 0.932 0.682 C 2.019 45 residues pruned to eliminate duplicates 323 residues left after pruning, divided into chains as follows: A: 323 CC for partial structure against native data = 36.09 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.415, Connect. = 0.769 for dens.mod. cycle 1 = 0.300, Contrast = 0.478, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.571, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 0.587, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 0.604, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.615, Connect. = 0.836 for dens.mod. cycle 6 = 0.300, Contrast = 0.626, Connect. = 0.838 for dens.mod. cycle 7 = 0.300, Contrast = 0.634, Connect. = 0.839 for dens.mod. cycle 8 = 0.300, Contrast = 0.642, Connect. = 0.840 for dens.mod. cycle 9 = 0.300, Contrast = 0.647, Connect. = 0.841 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2456 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 457 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 78.291 2.779 0.878 0.934 1.000 0.850 CB 2.338 B: 21 70.412 2.749 0.741 0.924 1.000 0.800 CB 2.309 21 residues pruned to eliminate duplicates C: 18 54.133 2.582 0.734 0.887 1.000 0.588 CB 2.114 D: 20 79.386 2.853 0.835 0.936 1.000 0.789 C 2.421 20 residues pruned to eliminate duplicates E: 30 77.942 2.508 0.871 0.938 1.000 0.931 C 2.146 F: 21 87.717 2.758 1.092 0.950 1.000 0.900 C 2.345 21 residues pruned to eliminate duplicates G: 20 80.330 2.835 0.906 0.937 1.000 0.895 C 2.374 20 residues pruned to eliminate duplicates H: 22 74.425 2.672 0.881 0.929 1.000 0.810 C 2.262 22 residues pruned to eliminate duplicates I: 31 72.684 2.437 0.872 0.934 1.000 0.900 C 2.029 31 residues pruned to eliminate duplicates J: 20 52.772 2.505 0.684 0.846 1.000 0.632 C 2.132 K: 19 47.976 2.295 0.871 0.878 1.000 0.889 C 1.911 18 residues pruned to eliminate duplicates L: 10 30.929 2.345 0.705 0.873 1.000 0.889 CB 1.878 M: 21 79.031 2.706 0.926 0.932 1.000 0.750 CB 2.368 21 residues pruned to eliminate duplicates N: 21 75.883 2.735 0.867 0.941 1.000 0.900 C 2.306 21 residues pruned to eliminate duplicates O: 9 32.729 2.508 0.527 0.902 1.000 0.875 CB 2.156 10 residues pruned to eliminate duplicates P: 20 90.417 2.886 1.038 0.930 1.000 0.842 C 2.465 21 residues pruned to eliminate duplicates Q: 10 21.245 2.337 0.566 0.864 0.778 0.778 CB 1.823 10 residues pruned to eliminate duplicates R: 17 47.010 2.560 0.794 0.865 0.875 0.750 CB 2.142 17 residues pruned to eliminate duplicates S: 17 45.367 2.608 0.674 0.882 0.875 0.750 CB 2.147 17 residues pruned to eliminate duplicates T: 37 78.148 2.650 0.618 0.875 1.000 0.861 C 2.209 U: 18 49.186 2.457 0.844 0.849 0.941 0.765 C 2.074 18 residues pruned to eliminate duplicates V: 17 59.249 2.610 0.877 0.861 1.000 0.688 CB 2.222 17 residues pruned to eliminate duplicates W: 38 77.782 2.602 0.725 0.834 0.973 0.784 C 2.196 38 residues pruned to eliminate duplicates X: 18 47.350 2.455 0.752 0.849 0.941 0.588 CA 2.104 18 residues pruned to eliminate duplicates Y: 9 29.935 2.494 0.720 0.878 0.875 0.875 C 2.046 9 residues pruned to eliminate duplicates Z: 9 30.504 2.446 0.502 0.909 1.000 1.000 C 2.083 9 residues pruned to eliminate duplicates Z: 16 40.959 2.604 0.387 0.912 1.000 0.800 CB 2.073 Z: 10 27.026 2.249 0.636 0.892 1.000 0.889 C 1.757 10 residues pruned to eliminate duplicates Z: 20 87.068 2.873 0.980 0.924 1.000 0.842 C 2.467 20 residues pruned to eliminate duplicates Z: 20 94.053 2.916 1.108 0.936 1.000 0.842 C 2.444 20 residues pruned to eliminate duplicates Z: 18 54.225 2.489 0.829 0.900 1.000 0.588 CB 2.063 18 residues pruned to eliminate duplicates Z: 20 81.845 2.817 0.940 0.940 1.000 0.895 C 2.386 20 residues pruned to eliminate duplicates Z: 39 72.544 2.572 0.572 0.882 0.974 0.842 C 2.163 36 residues pruned to eliminate duplicates Z: 19 53.801 2.471 0.835 0.888 1.000 0.833 CB 2.014 19 residues pruned to eliminate duplicates Z: 21 89.208 2.773 1.127 0.925 1.000 0.850 C 2.373 21 residues pruned to eliminate duplicates Z: 37 79.679 2.627 0.683 0.887 0.972 0.778 C 2.228 40 residues pruned to eliminate duplicates Z: 18 50.019 2.504 0.664 0.910 1.000 0.882 CB 2.065 18 residues pruned to eliminate duplicates Z: 36 80.807 2.611 0.794 0.898 0.943 0.800 C 2.212 36 residues pruned to eliminate duplicates Z: 29 67.840 2.546 0.896 0.896 0.964 0.750 CB 1.974 20 residues pruned to eliminate duplicates Z: 18 47.683 2.465 0.742 0.879 0.941 0.647 C 2.075 18 residues pruned to eliminate duplicates Z: 13 33.162 2.330 0.890 0.824 1.000 0.750 CB 1.643 Z: 36 69.524 2.520 0.681 0.882 0.943 0.800 C 2.129 36 residues pruned to eliminate duplicates Z: 38 73.833 2.496 0.739 0.877 0.973 0.757 C 2.088 35 residues pruned to eliminate duplicates Z: 20 96.799 2.890 1.187 0.939 1.000 0.737 C 2.441 20 residues pruned to eliminate duplicates Z: 21 82.809 2.774 1.003 0.899 1.000 0.750 CB 2.382 21 residues pruned to eliminate duplicates Z: 15 43.068 2.352 0.813 0.872 1.000 0.857 C 1.967 Z: 15 25.685 2.348 0.358 0.842 0.857 0.500 CB 1.871 15 residues pruned to eliminate duplicates Z: 17 43.073 2.527 0.571 0.902 1.000 0.688 CB 1.935 16 residues pruned to eliminate duplicates Z: 22 48.369 2.452 0.841 0.778 0.857 0.762 CB 2.134 22 residues pruned to eliminate duplicates Z: 30 71.429 2.470 0.924 0.909 1.000 0.759 C 1.981 29 residues pruned to eliminate duplicates Z: 16 45.776 2.617 0.575 0.899 1.000 0.733 CB 2.049 17 residues pruned to eliminate duplicates Z: 9 28.543 2.462 0.493 0.868 1.000 1.000 C 2.007 9 residues pruned to eliminate duplicates Z: 18 38.237 2.519 0.347 0.867 0.941 0.824 CB 2.124 18 residues pruned to eliminate duplicates Z: 31 66.213 2.469 0.884 0.869 0.933 0.600 C 2.033 31 residues pruned to eliminate duplicates Z: 22 67.851 2.494 0.907 0.917 1.000 0.810 C 2.197 22 residues pruned to eliminate duplicates Z: 8 16.606 2.227 0.229 0.852 1.000 0.714 CA 1.695 Z: 21 85.502 2.784 1.033 0.927 1.000 0.700 C 2.367 21 residues pruned to eliminate duplicates Z: 15 40.971 2.356 0.674 0.877 1.000 0.929 CB 2.016 15 residues pruned to eliminate duplicates Z: 19 36.733 2.333 0.466 0.857 0.944 0.778 CB 1.975 19 residues pruned to eliminate duplicates Z: 15 41.720 2.362 0.600 0.921 1.000 0.929 CB 2.076 15 residues pruned to eliminate duplicates Z: 12 40.716 2.461 0.695 0.932 1.000 0.909 C 2.055 12 residues pruned to eliminate duplicates Z: 30 63.473 2.516 0.535 0.936 1.000 0.966 C 2.126 30 residues pruned to eliminate duplicates Z: 38 71.103 2.505 0.656 0.878 0.973 0.919 C 2.102 38 residues pruned to eliminate duplicates Z: 20 60.866 2.516 1.033 0.854 0.947 0.789 C 2.128 20 residues pruned to eliminate duplicates Z: 16 36.178 2.447 0.519 0.880 0.933 0.800 CB 1.951 16 residues pruned to eliminate duplicates Z: 12 40.735 2.474 1.029 0.863 0.909 0.727 C 1.975 13 residues pruned to eliminate duplicates Z: 19 47.746 2.575 0.595 0.866 0.944 0.722 C 2.125 19 residues pruned to eliminate duplicates Z: 47 83.275 2.611 0.875 0.729 0.935 0.804 C 2.183 40 residues pruned to eliminate duplicates Z: 8 16.762 2.287 0.119 0.859 1.000 0.429 CA 1.822 8 residues pruned to eliminate duplicates Z: 30 67.259 2.498 0.805 0.912 0.966 0.862 CB 2.031 30 residues pruned to eliminate duplicates Z: 15 40.535 2.354 0.630 0.906 1.000 0.929 C 2.008 15 residues pruned to eliminate duplicates Z: 20 78.451 2.866 0.795 0.917 1.000 0.895 C 2.469 20 residues pruned to eliminate duplicates Z: 37 72.903 2.531 0.648 0.880 0.972 0.750 C 2.171 37 residues pruned to eliminate duplicates Z: 21 91.431 2.759 1.224 0.922 1.000 0.850 CB 2.344 21 residues pruned to eliminate duplicates Z: 20 45.172 2.385 0.564 0.872 1.000 0.632 CB 2.026 20 residues pruned to eliminate duplicates Z: 17 45.432 2.571 0.519 0.894 1.000 0.688 C 2.086 17 residues pruned to eliminate duplicates Z: 29 66.038 2.499 0.682 0.909 1.000 0.714 C 2.107 29 residues pruned to eliminate duplicates Z: 39 70.600 2.503 0.635 0.869 0.974 0.842 C 2.099 39 residues pruned to eliminate duplicates Z: 37 80.078 2.573 0.718 0.901 1.000 0.778 C 2.156 37 residues pruned to eliminate duplicates Z: 17 62.910 2.601 1.131 0.870 0.938 0.875 CB 2.209 17 residues pruned to eliminate duplicates Z: 69 109.412 2.587 0.887 0.779 0.971 0.662 CB 2.189 68 residues pruned to eliminate duplicates Z: 31 70.509 2.401 0.801 0.948 1.000 0.867 C 2.057 31 residues pruned to eliminate duplicates Z: 16 35.028 2.443 0.380 0.892 1.000 0.733 CB 1.926 17 residues pruned to eliminate duplicates Z: 15 40.925 2.441 1.009 0.864 0.929 0.714 CB 1.762 13 residues pruned to eliminate duplicates Z: 16 42.800 2.259 0.797 0.908 1.000 0.867 CB 1.933 15 residues pruned to eliminate duplicates Z: 46 52.611 2.297 0.976 0.570 0.933 0.733 CB 1.730 16 residues pruned to eliminate duplicates Z: 31 71.609 2.429 0.843 0.931 1.000 0.933 C 2.041 31 residues pruned to eliminate duplicates Z: 17 62.663 2.600 1.021 0.869 1.000 0.625 CB 2.179 17 residues pruned to eliminate duplicates Z: 29 57.403 2.493 0.579 0.909 0.964 0.679 C 2.027 29 residues pruned to eliminate duplicates Z: 21 77.149 2.732 1.057 0.938 0.950 0.800 CB 2.248 21 residues pruned to eliminate duplicates Z: 29 64.181 2.543 0.712 0.919 0.964 0.857 C 2.037 29 residues pruned to eliminate duplicates Z: 19 58.603 2.657 0.920 0.865 0.944 0.889 CB 2.102 19 residues pruned to eliminate duplicates Z: 29 59.570 2.456 0.759 0.894 0.964 0.679 CB 1.937 29 residues pruned to eliminate duplicates Z: 31 72.947 2.437 0.978 0.923 0.967 0.733 C 2.008 31 residues pruned to eliminate duplicates Z: 35 68.553 2.562 0.601 0.883 0.941 0.794 C 2.202 35 residues pruned to eliminate duplicates Z: 17 34.645 2.415 0.264 0.899 1.000 0.688 C 2.029 14 residues pruned to eliminate duplicates Z: 31 62.929 2.423 0.675 0.930 0.967 0.967 C 2.048 31 residues pruned to eliminate duplicates Z: 38 72.064 2.525 0.620 0.871 0.973 0.811 C 2.171 38 residues pruned to eliminate duplicates Z: 61 59.492 2.352 0.911 0.505 0.967 0.650 CB 1.759 45 residues pruned to eliminate duplicates Z: 30 67.171 2.494 0.618 0.952 1.000 0.897 C 2.130 30 residues pruned to eliminate duplicates Z: 13 47.159 2.490 1.170 0.861 0.917 0.917 C 2.020 14 residues pruned to eliminate duplicates Z: 29 66.806 2.552 0.744 0.894 0.964 0.857 CB 2.110 30 residues pruned to eliminate duplicates Z: 45 47.303 2.247 0.941 0.542 0.909 0.591 CB 1.725 45 residues pruned to eliminate duplicates Z: 30 84.717 2.491 1.124 0.938 1.000 0.897 C 2.068 30 residues pruned to eliminate duplicates Z: 30 82.372 2.494 1.081 0.939 1.000 0.897 C 2.048 30 residues pruned to eliminate duplicates Z: 7 20.103 2.435 0.312 0.833 1.000 0.833 CA 1.927 7 residues pruned to eliminate duplicates Z: 13 47.718 2.442 1.017 0.906 1.000 0.917 CB 1.990 13 residues pruned to eliminate duplicates Z: 20 84.587 2.813 1.073 0.902 1.000 0.789 C 2.374 20 residues pruned to eliminate duplicates Z: 39 70.737 2.486 0.745 0.853 0.947 0.737 C 2.064 39 residues pruned to eliminate duplicates Z: 7 22.896 2.433 0.462 0.815 1.000 0.667 CA 1.998 7 residues pruned to eliminate duplicates Z: 35 81.284 2.602 0.792 0.903 0.971 0.882 C 2.195 35 residues pruned to eliminate duplicates Z: 19 58.702 2.533 0.849 0.885 1.000 0.667 CB 2.133 19 residues pruned to eliminate duplicates Z: 12 37.748 2.534 0.602 0.898 1.000 0.909 C 2.005 12 residues pruned to eliminate duplicates Z: 18 39.579 2.481 0.592 0.853 0.941 0.765 CB 1.910 18 residues pruned to eliminate duplicates Z: 37 75.675 2.539 0.712 0.896 0.972 0.889 C 2.138 37 residues pruned to eliminate duplicates Z: 18 45.830 2.424 0.688 0.904 1.000 0.706 CB 1.935 18 residues pruned to eliminate duplicates Z: 8 41.455 2.757 0.680 0.907 1.000 1.000 C 2.403 9 residues pruned to eliminate duplicates Z: 20 56.805 2.531 0.865 0.893 1.000 0.895 CB 1.982 20 residues pruned to eliminate duplicates Z: 35 67.040 2.560 0.559 0.884 0.941 0.853 C 2.213 35 residues pruned to eliminate duplicates Z: 15 37.423 2.335 0.511 0.908 1.000 0.929 CB 2.014 15 residues pruned to eliminate duplicates Z: 38 72.474 2.537 0.657 0.885 0.946 0.865 C 2.164 38 residues pruned to eliminate duplicates Z: 17 45.150 2.513 0.515 0.907 1.000 0.812 C 2.107 17 residues pruned to eliminate duplicates Z: 17 60.577 2.610 0.938 0.888 1.000 0.875 CB 2.156 17 residues pruned to eliminate duplicates Z: 35 74.054 2.605 0.625 0.885 0.971 0.882 C 2.232 35 residues pruned to eliminate duplicates Z: 10 34.401 2.315 0.783 0.911 1.000 1.000 CA 1.970 9 residues pruned to eliminate duplicates Z: 17 47.754 2.481 0.828 0.913 1.000 0.688 CB 1.863 18 residues pruned to eliminate duplicates Z: 15 42.999 2.338 0.703 0.921 1.000 1.000 CB 2.031 15 residues pruned to eliminate duplicates Z: 30 77.137 2.528 0.814 0.944 1.000 0.931 C 2.163 30 residues pruned to eliminate duplicates Z: 62 59.245 2.320 0.886 0.530 0.984 0.721 CB 1.711 62 residues pruned to eliminate duplicates Z: 30 70.270 2.515 0.693 0.931 1.000 0.931 C 2.140 30 residues pruned to eliminate duplicates Z: 31 62.345 2.431 0.638 0.918 0.967 0.933 C 2.086 31 residues pruned to eliminate duplicates Z: 30 72.678 2.540 0.733 0.932 1.000 0.966 C 2.141 30 residues pruned to eliminate duplicates Z: 13 35.743 2.305 0.700 0.930 1.000 0.750 C 1.842 13 residues pruned to eliminate duplicates Z: 21 57.967 2.686 0.722 0.865 0.950 0.750 CB 2.161 21 residues pruned to eliminate duplicates Z: 30 61.349 2.449 0.674 0.896 0.966 0.759 C 2.061 30 residues pruned to eliminate duplicates Z: 9 10.463 1.936 0.184 0.744 0.875 0.625 CB 1.482 9 residues pruned to eliminate duplicates Z: 45 50.768 2.318 0.923 0.550 0.932 0.705 CB 1.755 45 residues pruned to eliminate duplicates Z: 21 75.654 2.689 0.903 0.927 1.000 0.850 C 2.316 21 residues pruned to eliminate duplicates Z: 16 29.721 2.296 0.765 0.866 0.733 0.667 C 1.890 16 residues pruned to eliminate duplicates Z: 38 69.612 2.571 0.547 0.880 0.973 0.757 C 2.143 38 residues pruned to eliminate duplicates Z: 30 79.212 2.536 0.960 0.936 0.966 0.931 C 2.134 30 residues pruned to eliminate duplicates Z: 8 26.124 2.369 0.888 0.842 0.857 0.714 C 1.918 8 residues pruned to eliminate duplicates Z: 30 68.106 2.513 0.650 0.937 1.000 1.000 C 2.123 30 residues pruned to eliminate duplicates Z: 36 72.436 2.634 0.579 0.888 0.971 0.714 C 2.184 36 residues pruned to eliminate duplicates Z: 43 48.370 2.386 0.812 0.512 0.929 0.643 CB 1.836 43 residues pruned to eliminate duplicates Z: 30 68.129 2.513 0.666 0.926 1.000 0.897 C 2.118 30 residues pruned to eliminate duplicates Z: 30 71.690 2.435 0.849 0.932 1.000 0.862 C 2.065 30 residues pruned to eliminate duplicates Z: 21 86.486 2.716 1.134 0.934 1.000 0.750 CB 2.327 22 residues pruned to eliminate duplicates Z: 31 77.153 2.457 0.893 0.932 1.000 0.833 C 2.115 31 residues pruned to eliminate duplicates Z: 25 50.840 2.442 0.488 0.901 0.958 0.917 CB 2.127 25 residues pruned to eliminate duplicates Z: 45 47.634 2.385 0.852 0.499 0.909 0.568 CB 1.791 45 residues pruned to eliminate duplicates Z: 31 76.967 2.408 1.113 0.926 0.967 0.700 C 2.004 31 residues pruned to eliminate duplicates Z: 15 47.337 2.372 0.899 0.887 1.000 0.786 C 2.025 15 residues pruned to eliminate duplicates Z: 36 83.488 2.666 0.776 0.889 0.971 0.857 C 2.209 36 residues pruned to eliminate duplicates Z: 36 78.539 2.617 0.621 0.914 1.000 0.800 C 2.214 36 residues pruned to eliminate duplicates Z: 39 60.161 2.513 0.757 0.628 0.974 0.658 CB 2.012 28 residues pruned to eliminate duplicates Z: 31 67.702 2.422 0.742 0.919 1.000 0.900 C 2.063 31 residues pruned to eliminate duplicates Z: 44 49.762 2.367 0.914 0.546 0.907 0.651 CB 1.766 44 residues pruned to eliminate duplicates Z: 30 73.108 2.485 0.779 0.942 1.000 0.897 C 2.130 30 residues pruned to eliminate duplicates Z: 34 89.676 2.657 0.848 0.938 1.000 0.848 C 2.211 34 residues pruned to eliminate duplicates Z: 23 23.323 2.251 0.528 0.313 1.000 0.682 CB 1.777 23 residues pruned to eliminate duplicates Z: 19 51.400 2.459 0.734 0.892 0.944 0.889 C 2.162 19 residues pruned to eliminate duplicates Z: 8 13.781 1.853 0.330 0.824 1.000 0.714 N 1.597 Z: 18 57.344 2.568 0.812 0.898 1.000 0.824 CB 2.139 18 residues pruned to eliminate duplicates Z: 63 57.231 2.320 0.954 0.487 0.935 0.645 CB 1.736 63 residues pruned to eliminate duplicates Z: 18 58.236 2.526 0.905 0.897 1.000 0.706 CB 2.101 14 residues pruned to eliminate duplicates Z: 40 51.760 2.402 0.731 0.610 0.949 0.667 CB 1.892 40 residues pruned to eliminate duplicates Z: 18 39.235 2.491 0.436 0.867 0.941 0.941 CB 2.068 18 residues pruned to eliminate duplicates Z: 102 131.093 2.626 0.934 0.745 0.950 0.723 CB 2.171 86 residues pruned to eliminate duplicates Z: 34 60.451 2.562 0.913 0.639 0.909 0.545 CB 2.074 34 residues pruned to eliminate duplicates Z: 25 56.923 2.470 0.739 0.889 0.958 0.750 C 2.032 25 residues pruned to eliminate duplicates Z: 29 72.583 2.501 0.988 0.919 0.964 0.714 CB 2.015 29 residues pruned to eliminate duplicates Z: 30 74.924 2.515 0.815 0.940 1.000 1.000 C 2.117 30 residues pruned to eliminate duplicates Z: 15 48.290 2.389 0.904 0.903 1.000 0.786 C 2.022 15 residues pruned to eliminate duplicates Z: 15 35.667 2.332 0.532 0.887 1.000 0.857 CB 1.923 15 residues pruned to eliminate duplicates Z: 9 22.895 2.198 0.541 0.865 1.000 0.875 CA 1.751 9 residues pruned to eliminate duplicates Z: 37 83.588 2.625 0.811 0.872 0.972 0.778 C 2.197 37 residues pruned to eliminate duplicates Z: 8 13.008 2.054 0.315 0.871 0.857 0.571 CA 1.549 8 residues pruned to eliminate duplicates Z: 31 68.909 2.427 0.790 0.931 1.000 0.900 C 2.024 31 residues pruned to eliminate duplicates Z: 35 78.725 2.560 0.855 0.915 0.941 0.765 C 2.135 35 residues pruned to eliminate duplicates Z: 13 19.233 2.115 0.773 0.411 0.917 0.667 CB 1.772 13 residues pruned to eliminate duplicates Z: 17 56.871 2.553 0.929 0.891 1.000 0.938 CB 2.075 17 residues pruned to eliminate duplicates Z: 20 52.164 2.521 0.858 0.838 0.947 0.632 CB 2.016 20 residues pruned to eliminate duplicates Z: 61 79.813 2.502 0.990 0.642 0.900 0.617 CB 2.014 53 residues pruned to eliminate duplicates Z: 45 71.190 2.486 0.847 0.665 1.000 0.682 CB 2.005 45 residues pruned to eliminate duplicates Z: 72 91.698 2.558 0.881 0.652 0.958 0.648 CB 2.050 72 residues pruned to eliminate duplicates Z: 31 79.085 2.460 1.007 0.938 1.000 0.867 C 2.034 31 residues pruned to eliminate duplicates Z: 93 88.586 2.448 0.843 0.617 0.924 0.630 CB 1.984 93 residues pruned to eliminate duplicates Z: 35 79.085 2.541 0.721 0.914 1.000 0.912 C 2.193 35 residues pruned to eliminate duplicates Z: 35 88.941 2.633 0.964 0.925 0.971 0.824 C 2.134 35 residues pruned to eliminate duplicates Z: 26 67.282 2.642 0.691 0.852 1.000 0.800 C 2.227 26 residues pruned to eliminate duplicates Z: 15 41.988 2.377 0.685 0.916 1.000 0.929 CB 1.979 15 residues pruned to eliminate duplicates Z: 77 84.922 2.478 0.924 0.593 0.921 0.566 CB 2.029 78 residues pruned to eliminate duplicates Z: 68 123.254 2.718 0.937 0.792 0.970 0.776 C 2.282 68 residues pruned to eliminate duplicates Z: 10 16.162 2.265 0.712 0.469 0.889 0.556 CB 1.613 Z: 63 54.160 2.292 0.805 0.510 0.952 0.661 CB 1.730 63 residues pruned to eliminate duplicates Z: 36 68.449 2.494 0.625 0.900 0.971 0.857 C 2.099 36 residues pruned to eliminate duplicates Z: 10 35.106 2.531 0.702 0.914 0.889 0.778 C 2.162 10 residues pruned to eliminate duplicates Z: 37 77.770 2.571 0.762 0.882 0.944 0.861 C 2.192 37 residues pruned to eliminate duplicates Z: 7 24.628 2.359 0.616 0.859 1.000 1.000 CB 1.941 7 residues pruned to eliminate duplicates Z: 30 61.560 2.468 0.678 0.922 0.931 0.897 CB 2.086 30 residues pruned to eliminate duplicates Z: 8 15.122 2.135 0.389 0.836 1.000 0.857 CA 1.442 8 residues pruned to eliminate duplicates Z: 36 66.257 2.596 0.855 0.671 0.971 0.657 CB 2.044 37 residues pruned to eliminate duplicates Z: 55 73.522 2.445 0.921 0.638 0.944 0.648 CB 1.983 44 residues pruned to eliminate duplicates Z: 18 31.925 2.399 0.362 0.858 0.941 0.824 CB 1.855 18 residues pruned to eliminate duplicates Z: 30 73.749 2.494 0.855 0.946 0.966 0.897 C 2.120 30 residues pruned to eliminate duplicates Z: 20 45.323 2.514 0.691 0.810 0.947 0.684 CB 1.971 20 residues pruned to eliminate duplicates Z: 15 45.689 2.348 0.872 0.905 1.000 0.857 C 1.978 15 residues pruned to eliminate duplicates Z: 15 34.120 2.285 0.472 0.935 1.000 1.000 CB 1.889 15 residues pruned to eliminate duplicates Z: 63 57.513 2.309 0.921 0.518 0.919 0.645 CB 1.759 63 residues pruned to eliminate duplicates Z: 19 46.572 2.465 0.742 0.853 0.944 0.778 C 2.000 19 residues pruned to eliminate duplicates Z: 6 8.532 2.209 0.253 0.439 0.800 0.400 C 1.836 6 residues pruned to eliminate duplicates Z: 19 76.483 2.804 0.982 0.932 0.944 0.778 C 2.398 19 residues pruned to eliminate duplicates Z: 58 66.865 2.402 0.634 0.694 0.947 0.719 CB 1.995 58 residues pruned to eliminate duplicates Z: 15 45.628 2.338 0.903 0.877 1.000 0.857 CB 1.991 15 residues pruned to eliminate duplicates Z: 12 13.629 1.799 0.865 0.515 0.909 0.545 CB 1.328 15 residues pruned to eliminate duplicates Z: 25 41.552 2.328 1.012 0.670 0.875 0.708 CB 1.768 25 residues pruned to eliminate duplicates Z: 31 63.460 2.431 0.608 0.935 1.000 0.867 C 2.066 31 residues pruned to eliminate duplicates Z: 30 65.691 2.490 0.629 0.926 1.000 0.966 C 2.109 30 residues pruned to eliminate duplicates Z: 18 34.921 2.389 0.308 0.901 1.000 0.765 CB 1.934 18 residues pruned to eliminate duplicates Z: 15 53.047 2.464 1.236 0.867 0.929 0.714 C 2.027 15 residues pruned to eliminate duplicates Z: 13 30.755 2.254 0.596 0.922 0.917 0.833 C 1.894 13 residues pruned to eliminate duplicates Z: 6 15.372 2.608 0.200 0.797 0.800 0.800 CA 2.118 6 residues pruned to eliminate duplicates Z: 43 40.694 2.343 0.716 0.505 0.881 0.643 CB 1.763 43 residues pruned to eliminate duplicates Z: 13 16.819 2.094 1.087 0.349 0.833 0.583 CB 1.570 Z: 30 92.481 2.493 1.258 0.941 1.000 0.759 C 2.118 30 residues pruned to eliminate duplicates Z: 15 35.557 2.264 0.642 0.853 1.000 0.786 CB 1.889 15 residues pruned to eliminate duplicates Z: 31 60.499 2.418 0.584 0.919 0.967 0.933 C 2.102 31 residues pruned to eliminate duplicates Z: 8 13.777 1.933 0.307 0.875 1.000 0.714 CB 1.498 8 residues pruned to eliminate duplicates Z: 72 113.382 2.619 0.884 0.763 0.972 0.746 CB 2.220 72 residues pruned to eliminate duplicates Z: 43 65.149 2.513 0.927 0.634 0.929 0.667 CB 1.971 43 residues pruned to eliminate duplicates Z: 12 43.495 2.431 0.874 0.910 1.000 0.727 C 2.042 12 residues pruned to eliminate duplicates Z: 7 10.847 1.957 0.082 0.857 1.000 1.000 C 1.542 7 residues pruned to eliminate duplicates Z: 10 12.061 1.990 0.834 0.287 0.889 0.667 C 1.574 10 residues pruned to eliminate duplicates Z: 7 14.961 2.097 0.313 0.791 1.000 0.500 CA 1.719 7 residues pruned to eliminate duplicates Z: 37 72.961 2.554 0.782 0.883 0.889 0.778 C 2.173 37 residues pruned to eliminate duplicates Z: 19 40.725 2.246 0.982 0.891 0.889 0.611 CB 1.744 19 residues pruned to eliminate duplicates Z: 8 19.367 2.272 0.324 0.872 1.000 0.714 CA 1.773 6 residues pruned to eliminate duplicates Z: 31 67.625 2.385 0.782 0.928 1.000 0.967 CB 2.035 31 residues pruned to eliminate duplicates Z: 31 53.578 2.405 0.433 0.922 0.967 0.900 C 2.064 31 residues pruned to eliminate duplicates Z: 18 39.639 2.264 0.890 0.893 0.882 0.706 CB 1.829 18 residues pruned to eliminate duplicates Z: 31 58.878 2.419 0.562 0.918 0.967 0.833 C 2.074 31 residues pruned to eliminate duplicates Z: 8 8.469 2.031 0.047 0.732 0.857 0.857 CB 1.426 8 residues pruned to eliminate duplicates Z: 78 59.670 2.352 0.770 0.503 0.948 0.662 CB 1.717 83 residues pruned to eliminate duplicates Z: 20 94.114 2.836 1.217 0.935 1.000 0.737 C 2.393 20 residues pruned to eliminate duplicates Z: 25 69.862 2.502 0.971 0.926 1.000 0.917 C 2.028 25 residues pruned to eliminate duplicates Z: 25 65.272 2.526 0.825 0.928 1.000 0.958 C 2.024 25 residues pruned to eliminate duplicates Z: 72 106.214 2.601 0.908 0.736 0.958 0.775 C 2.146 72 residues pruned to eliminate duplicates Z: 21 41.334 2.240 0.909 0.815 1.000 0.450 CB 1.644 21 residues pruned to eliminate duplicates Z: 15 46.526 2.369 0.854 0.903 1.000 0.786 CB 2.018 15 residues pruned to eliminate duplicates Z: 35 74.713 2.574 0.651 0.898 0.971 0.853 CB 2.223 35 residues pruned to eliminate duplicates Z: 9 20.272 2.203 0.406 0.893 1.000 0.750 CB 1.661 9 residues pruned to eliminate duplicates Z: 30 57.924 2.424 0.663 0.920 0.966 0.828 CB 1.947 30 residues pruned to eliminate duplicates Z: 18 41.427 2.314 0.858 0.835 0.882 0.588 CB 1.985 18 residues pruned to eliminate duplicates Z: 7 13.801 2.339 -0.083 0.849 1.000 0.833 CB 1.947 7 residues pruned to eliminate duplicates Z: 27 41.857 2.447 0.652 0.706 0.885 0.615 CB 1.902 26 residues pruned to eliminate duplicates Z: 19 54.962 2.485 0.858 0.904 1.000 0.722 C 1.998 19 residues pruned to eliminate duplicates Z: 20 45.132 2.379 0.819 0.831 0.895 0.737 CB 2.009 20 residues pruned to eliminate duplicates Z: 14 43.183 2.396 1.124 0.845 0.923 0.923 CB 1.895 14 residues pruned to eliminate duplicates Z: 94 102.408 2.492 0.981 0.629 0.935 0.624 CB 2.036 95 residues pruned to eliminate duplicates Z: 15 32.996 2.292 0.350 0.934 1.000 0.929 CB 1.987 15 residues pruned to eliminate duplicates Z: 117 105.218 2.488 0.771 0.639 0.966 0.690 CB 2.017 119 residues pruned to eliminate duplicates Z: 6 5.440 1.376 0.242 0.729 1.000 0.600 C 1.158 6 residues pruned to eliminate duplicates Z: 13 36.859 2.234 1.330 0.630 1.000 0.750 C 1.809 13 residues pruned to eliminate duplicates Z: 29 49.047 2.461 0.835 0.655 0.893 0.786 CB 1.990 29 residues pruned to eliminate duplicates Z: 15 42.479 2.240 0.967 0.883 1.000 0.786 C 1.863 15 residues pruned to eliminate duplicates Z: 22 75.486 2.560 1.014 0.936 1.000 0.905 C 2.225 22 residues pruned to eliminate duplicates Z: 18 32.291 2.341 0.355 0.921 1.000 0.882 CB 1.737 18 residues pruned to eliminate duplicates Z: 31 58.146 2.443 0.539 0.920 0.967 0.933 C 2.057 31 residues pruned to eliminate duplicates Z: 10 32.794 2.299 0.809 0.898 1.000 0.778 CB 1.880 10 residues pruned to eliminate duplicates Z: 15 45.764 2.335 1.053 0.941 0.929 0.786 CB 1.907 15 residues pruned to eliminate duplicates Z: 7 12.760 2.018 0.152 0.832 1.000 0.833 CA 1.681 7 residues pruned to eliminate duplicates Z: 19 35.923 2.361 0.714 0.609 1.000 0.778 CB 1.887 19 residues pruned to eliminate duplicates Z: 31 58.530 2.414 0.511 0.932 1.000 0.933 C 2.046 31 residues pruned to eliminate duplicates Z: 27 49.497 2.503 0.953 0.620 0.923 0.654 CB 1.921 27 residues pruned to eliminate duplicates Z: 12 47.478 2.526 0.910 0.934 1.000 0.909 C 2.068 12 residues pruned to eliminate duplicates Z: 19 40.809 2.348 0.686 0.832 0.944 0.722 CA 1.931 19 residues pruned to eliminate duplicates Z: 15 34.290 2.229 1.005 0.833 0.929 0.714 CB 1.656 15 residues pruned to eliminate duplicates Z: 62 113.266 2.689 0.899 0.805 0.951 0.787 C 2.289 62 residues pruned to eliminate duplicates Z: 17 47.570 2.455 0.911 0.883 0.938 0.812 CB 1.955 17 residues pruned to eliminate duplicates Z: 17 50.328 2.425 0.807 0.916 1.000 0.688 CB 2.029 17 residues pruned to eliminate duplicates Z: 62 116.012 2.715 0.846 0.819 0.984 0.738 C 2.285 62 residues pruned to eliminate duplicates Z: 8 5.550 1.779 0.453 0.415 0.857 0.571 CB 1.035 8 residues pruned to eliminate duplicates Z: 15 40.111 2.331 0.726 0.886 1.000 0.714 C 1.922 15 residues pruned to eliminate duplicates Z: 10 15.868 2.132 0.821 0.556 0.889 0.667 CB 1.452 12 residues pruned to eliminate duplicates Z: 39 70.230 2.535 0.645 0.865 0.947 0.789 C 2.113 39 residues pruned to eliminate duplicates Z: 20 29.813 2.367 0.515 0.487 0.947 0.526 C 2.040 20 residues pruned to eliminate duplicates Z: 31 69.957 2.389 0.858 0.925 1.000 0.900 C 2.019 31 residues pruned to eliminate duplicates Z: 10 23.306 2.338 0.620 0.909 0.889 0.778 CB 1.637 10 residues pruned to eliminate duplicates Z: 19 57.918 2.554 0.873 0.902 1.000 0.611 CB 2.036 19 residues pruned to eliminate duplicates Z: 16 56.204 2.560 0.977 0.885 1.000 0.733 C 2.070 16 residues pruned to eliminate duplicates Z: 26 56.145 2.380 0.625 0.918 1.000 0.880 C 2.047 26 residues pruned to eliminate duplicates Z: 27 56.276 2.470 1.076 0.710 0.923 0.577 CB 1.926 27 residues pruned to eliminate duplicates Z: 6 10.979 2.215 -0.030 0.877 1.000 0.800 C 1.659 6 residues pruned to eliminate duplicates Z: 17 46.380 2.431 0.827 0.902 1.000 0.750 CB 1.862 17 residues pruned to eliminate duplicates Z: 31 59.933 2.388 0.710 0.916 0.933 0.833 CB 2.027 31 residues pruned to eliminate duplicates Z: 6 5.781 1.810 0.471 0.436 1.000 0.400 CB 1.037 6 residues pruned to eliminate duplicates Z: 7 21.095 2.288 0.540 0.811 1.000 1.000 CB 1.865 7 residues pruned to eliminate duplicates Z: 12 33.175 2.518 1.071 0.763 0.818 0.727 C 1.855 12 residues pruned to eliminate duplicates Z: 16 35.303 2.449 0.455 0.922 1.000 0.933 CB 1.800 16 residues pruned to eliminate duplicates Z: 71 105.287 2.584 0.891 0.755 0.957 0.657 CB 2.144 71 residues pruned to eliminate duplicates Z: 9 11.354 1.984 0.868 0.538 0.750 0.625 CA 1.391 9 residues pruned to eliminate duplicates Z: 7 17.683 2.349 0.253 0.824 1.000 0.667 CB 1.853 7 residues pruned to eliminate duplicates Z: 39 36.886 2.302 0.828 0.526 0.842 0.553 CB 1.646 39 residues pruned to eliminate duplicates Z: 30 85.313 2.473 1.160 0.931 1.000 0.690 C 2.073 30 residues pruned to eliminate duplicates Z: 18 56.994 2.542 0.992 0.874 0.941 0.588 C 2.111 18 residues pruned to eliminate duplicates Z: 91 125.219 2.634 0.910 0.740 0.967 0.733 CB 2.189 91 residues pruned to eliminate duplicates Z: 22 53.161 2.365 0.781 0.888 0.952 0.714 C 2.084 22 residues pruned to eliminate duplicates Z: 38 56.501 2.530 0.715 0.647 0.946 0.649 CB 1.973 38 residues pruned to eliminate duplicates Z: 7 14.119 2.226 0.055 0.866 1.000 0.833 CB 1.798 7 residues pruned to eliminate duplicates Z: 15 30.766 2.496 0.608 0.555 0.929 0.786 CB 2.091 15 residues pruned to eliminate duplicates Z: 9 2.934 1.563 0.646 0.242 0.500 0.250 C 1.087 9 residues pruned to eliminate duplicates Z: 6 14.933 2.525 0.214 0.821 0.800 0.800 CB 2.061 6 residues pruned to eliminate duplicates Z: 67 61.937 2.414 0.777 0.543 0.924 0.712 CB 1.844 67 residues pruned to eliminate duplicates Z: 7 2.773 1.832 -0.090 0.721 0.667 0.667 CB 0.835 7 residues pruned to eliminate duplicates Z: 10 16.119 1.987 0.465 0.691 1.000 0.889 CA 1.549 9 residues pruned to eliminate duplicates Z: 30 63.465 2.445 0.607 0.923 1.000 0.931 CB 2.108 30 residues pruned to eliminate duplicates Z: 21 27.538 2.348 0.610 0.448 0.950 0.700 CB 1.810 21 residues pruned to eliminate duplicates Z: 28 73.911 2.541 1.065 0.892 0.926 0.519 C 2.103 28 residues pruned to eliminate duplicates Z: 38 73.041 2.517 0.668 0.838 1.000 0.811 C 2.137 38 residues pruned to eliminate duplicates Z: 31 57.566 2.348 0.536 0.927 1.000 0.833 CB 2.042 31 residues pruned to eliminate duplicates Z: 16 62.025 2.535 1.097 0.944 1.000 0.733 CB 2.085 16 residues pruned to eliminate duplicates Z: 28 34.397 2.329 0.536 0.683 0.852 0.593 CB 1.836 28 residues pruned to eliminate duplicates Z: 33 60.562 2.472 0.606 0.850 1.000 0.938 CB 1.997 33 residues pruned to eliminate duplicates Z: 23 51.489 2.397 0.783 0.871 0.909 0.727 CB 2.060 23 residues pruned to eliminate duplicates Z: 12 21.970 2.479 0.219 0.529 1.000 0.636 CB 2.129 12 residues pruned to eliminate duplicates Z: 20 61.328 2.482 1.143 0.881 1.000 0.684 CB 1.916 20 residues pruned to eliminate duplicates Z: 37 78.603 2.613 0.667 0.876 1.000 0.806 C 2.186 37 residues pruned to eliminate duplicates Z: 10 15.191 2.070 0.574 0.475 0.889 0.444 CA 1.792 10 residues pruned to eliminate duplicates Z: 49 79.592 2.556 0.757 0.751 0.979 0.812 C 2.088 49 residues pruned to eliminate duplicates Z: 17 28.533 2.285 0.772 0.566 0.938 0.688 CB 1.762 17 residues pruned to eliminate duplicates Z: 8 16.372 2.273 0.198 0.862 1.000 0.857 CA 1.669 8 residues pruned to eliminate duplicates Z: 37 52.867 2.376 0.951 0.631 0.917 0.750 CB 1.833 37 residues pruned to eliminate duplicates Z: 15 49.069 2.635 0.645 0.926 1.000 0.714 CB 2.121 15 residues pruned to eliminate duplicates Z: 30 56.997 2.475 0.566 0.906 0.966 0.862 CB 2.011 30 residues pruned to eliminate duplicates Z: 9 20.362 2.060 0.489 0.866 1.000 0.875 CA 1.718 9 residues pruned to eliminate duplicates Z: 20 94.602 2.862 1.221 0.938 1.000 0.947 CB 2.374 20 residues pruned to eliminate duplicates Z: 12 16.564 2.055 0.672 0.475 1.000 0.636 C 1.491 12 residues pruned to eliminate duplicates Z: 120 89.320 2.390 0.803 0.623 0.933 0.672 CB 1.814 118 residues pruned to eliminate duplicates Z: 16 31.804 2.091 0.632 0.894 1.000 0.733 CB 1.727 16 residues pruned to eliminate duplicates Z: 15 28.283 2.434 0.640 0.519 0.929 0.643 CA 2.002 15 residues pruned to eliminate duplicates Z: 16 23.982 2.416 0.552 0.382 1.000 0.667 CB 1.872 16 residues pruned to eliminate duplicates Z: 7 8.221 2.164 0.418 0.563 0.667 0.667 CB 1.542 7 residues pruned to eliminate duplicates Z: 30 52.918 2.381 0.579 0.879 0.966 0.828 CB 1.963 30 residues pruned to eliminate duplicates Z: 7 11.568 1.914 0.518 0.629 1.000 0.667 CA 1.440 7 residues pruned to eliminate duplicates Z: 7 18.044 2.276 0.298 0.887 1.000 1.000 CA 1.799 7 residues pruned to eliminate duplicates Z: 15 45.593 2.310 0.933 0.902 1.000 0.786 C 1.947 15 residues pruned to eliminate duplicates Z: 30 63.324 2.486 0.537 0.949 1.000 1.000 C 2.123 30 residues pruned to eliminate duplicates Z: 51 77.741 2.537 0.909 0.624 1.000 0.720 CB 2.019 51 residues pruned to eliminate duplicates Z: 21 73.982 2.630 1.196 0.845 0.950 0.850 CB 2.242 21 residues pruned to eliminate duplicates Z: 6 3.265 1.330 0.377 0.844 0.800 0.800 N 0.741 Z: 23 49.373 2.524 1.131 0.649 0.909 0.682 CB 1.873 23 residues pruned to eliminate duplicates Z: 13 46.628 2.585 1.067 0.808 0.917 0.833 C 2.101 19 residues pruned to eliminate duplicates Z: 6 3.712 1.344 0.685 0.469 0.800 0.400 CA 0.946 6 residues pruned to eliminate duplicates Z: 87 126.354 2.655 0.984 0.773 0.919 0.663 C 2.213 87 residues pruned to eliminate duplicates Z: 9 14.486 2.167 0.165 0.802 0.875 0.500 CA 1.781 9 residues pruned to eliminate duplicates Z: 13 41.995 2.280 1.091 0.863 1.000 0.833 C 1.866 13 residues pruned to eliminate duplicates Z: 15 34.871 2.519 0.804 0.530 0.929 0.500 CB 2.143 15 residues pruned to eliminate duplicates Z: 32 78.489 2.672 0.983 0.690 1.000 0.806 C 2.235 32 residues pruned to eliminate duplicates Z: 11 9.644 1.918 0.159 0.514 1.000 0.700 CB 1.353 8 residues pruned to eliminate duplicates Z: 11 29.610 2.603 0.520 0.849 1.000 0.900 CB 1.754 11 residues pruned to eliminate duplicates Z: 80 86.893 2.450 0.931 0.636 0.937 0.646 CB 1.943 80 residues pruned to eliminate duplicates Z: 16 52.243 2.719 0.794 0.804 0.933 0.867 CA 2.272 16 residues pruned to eliminate duplicates Z: 57 105.402 2.591 0.957 0.818 0.982 0.750 C 2.145 57 residues pruned to eliminate duplicates Z: 77 116.204 2.696 0.853 0.740 0.961 0.711 CB 2.240 77 residues pruned to eliminate duplicates Z: 12 42.304 2.535 0.731 0.836 1.000 0.909 CA 2.176 12 residues pruned to eliminate duplicates Z: 16 67.574 2.568 1.179 0.915 1.000 0.867 C 2.203 16 residues pruned to eliminate duplicates Z: 6 4.361 1.387 0.269 0.741 1.000 0.600 CA 0.893 6 residues pruned to eliminate duplicates Z: 59 119.822 2.688 0.967 0.839 0.983 0.776 C 2.262 59 residues pruned to eliminate duplicates Z: 46 49.360 2.289 0.960 0.525 0.933 0.600 CB 1.715 46 residues pruned to eliminate duplicates Z: 17 24.174 2.286 0.593 0.507 0.938 0.625 CB 1.758 17 residues pruned to eliminate duplicates Z: 61 69.992 2.459 0.788 0.642 0.900 0.550 CB 2.000 61 residues pruned to eliminate duplicates Z: 10 17.443 2.167 0.462 0.696 0.889 0.778 CA 1.727 10 residues pruned to eliminate duplicates Z: 30 63.624 2.475 0.603 0.927 1.000 0.931 C 2.088 30 residues pruned to eliminate duplicates Z: 35 52.483 2.503 0.740 0.584 0.971 0.559 CB 1.965 35 residues pruned to eliminate duplicates Z: 21 41.187 2.367 0.744 0.716 1.000 0.850 CB 1.834 21 residues pruned to eliminate duplicates Z: 13 21.585 2.324 0.525 0.547 0.917 0.667 CB 1.832 13 residues pruned to eliminate duplicates Z: 11 10.234 1.917 0.152 0.501 1.000 0.600 C 1.464 11 residues pruned to eliminate duplicates Z: 13 24.832 2.345 0.412 0.603 1.000 0.750 CB 1.962 13 residues pruned to eliminate duplicates Z: 14 39.083 2.536 0.737 0.805 0.923 0.846 CB 2.043 14 residues pruned to eliminate duplicates Z: 38 74.540 2.584 0.607 0.884 1.000 0.784 C 2.132 38 residues pruned to eliminate duplicates Z: 10 11.269 2.099 0.433 0.455 1.000 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 29 40.209 2.320 0.900 0.598 0.857 0.500 CB 1.831 29 residues pruned to eliminate duplicates Z: 28 33.145 2.303 0.770 0.410 0.963 0.630 CB 1.786 28 residues pruned to eliminate duplicates Z: 23 22.409 2.280 0.483 0.357 1.000 0.500 CB 1.648 23 residues pruned to eliminate duplicates Z: 43 54.686 2.320 0.998 0.562 0.952 0.643 CB 1.799 43 residues pruned to eliminate duplicates Z: 18 20.932 2.170 0.319 0.576 0.941 0.647 CB 1.751 18 residues pruned to eliminate duplicates Z: 25 33.196 2.148 0.909 0.635 0.833 0.625 CB 1.747 26 residues pruned to eliminate duplicates Z: 15 56.846 2.370 1.209 0.919 1.000 0.857 C 2.045 15 residues pruned to eliminate duplicates Z: 14 12.573 2.047 0.769 0.403 0.769 0.538 CB 1.386 14 residues pruned to eliminate duplicates Z: 37 50.977 2.395 0.740 0.640 0.972 0.694 CB 1.840 37 residues pruned to eliminate duplicates Z: 18 68.606 2.673 1.053 0.858 0.941 0.882 C 2.374 18 residues pruned to eliminate duplicates Z: 17 53.874 2.457 0.847 0.928 1.000 0.938 C 2.079 17 residues pruned to eliminate duplicates Z: 6 3.173 1.637 0.507 0.293 0.600 0.600 C 1.209 6 residues pruned to eliminate duplicates Z: 13 19.652 2.126 1.101 0.505 0.833 0.667 C 1.516 13 residues pruned to eliminate duplicates Z: 47 100.623 2.643 1.039 0.793 0.957 0.609 CB 2.225 47 residues pruned to eliminate duplicates Z: 61 51.248 2.337 0.830 0.495 0.933 0.617 CB 1.665 61 residues pruned to eliminate duplicates Z: 22 31.504 2.277 0.656 0.610 0.905 0.762 CB 1.815 22 residues pruned to eliminate duplicates Z: 34 88.553 2.595 1.079 0.918 0.939 0.879 C 2.144 34 residues pruned to eliminate duplicates Z: 36 71.341 2.516 0.590 0.905 1.000 0.829 C 2.145 36 residues pruned to eliminate duplicates Z: 52 61.375 2.427 0.698 0.665 0.902 0.686 CB 1.984 52 residues pruned to eliminate duplicates Z: 17 33.478 2.453 0.950 0.587 0.875 0.500 CB 1.840 17 residues pruned to eliminate duplicates Z: 7 18.677 1.958 1.063 0.793 1.000 1.000 C 1.459 7 residues pruned to eliminate duplicates Z: 48 38.903 2.261 0.632 0.511 0.894 0.723 CB 1.702 48 residues pruned to eliminate duplicates Z: 16 28.167 2.296 0.598 0.682 1.000 0.933 CB 1.677 16 residues pruned to eliminate duplicates Z: 8 6.652 1.619 0.822 0.296 1.000 0.429 CB 1.071 5 residues pruned to eliminate duplicates Z: 44 50.019 2.293 1.044 0.549 0.884 0.744 CB 1.756 44 residues pruned to eliminate duplicates Z: 32 68.747 2.440 0.920 0.824 1.000 0.871 CB 1.991 32 residues pruned to eliminate duplicates Z: 76 118.786 2.647 0.880 0.769 0.987 0.707 CB 2.200 76 residues pruned to eliminate duplicates Z: 17 30.894 2.294 0.607 0.697 1.000 0.938 CB 1.751 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 34 61.392 2.457 0.630 0.827 1.000 0.909 CB 2.011 34 residues pruned to eliminate duplicates Z: 33 65.562 2.534 0.717 0.853 0.969 0.906 CB 2.031 33 residues pruned to eliminate duplicates Z: 33 64.852 2.528 0.618 0.850 1.000 0.906 CB 2.077 33 residues pruned to eliminate duplicates Z: 35 48.380 2.405 0.530 0.804 0.912 0.882 CB 1.897 35 residues pruned to eliminate duplicates Z: 34 55.883 2.441 0.602 0.828 0.970 0.879 CB 1.932 34 residues pruned to eliminate duplicates Z: 32 64.601 2.534 0.604 0.874 1.000 0.968 CB 2.078 32 residues pruned to eliminate duplicates Z: 33 57.243 2.494 0.603 0.847 0.938 0.844 CB 2.004 33 residues pruned to eliminate duplicates Z: 34 57.919 2.438 0.607 0.820 0.970 0.818 CB 2.012 34 residues pruned to eliminate duplicates Z: 33 69.318 2.518 0.745 0.853 1.000 0.906 CB 2.061 33 residues pruned to eliminate duplicates Z: 34 63.352 2.502 0.689 0.821 0.970 0.879 CB 2.036 34 residues pruned to eliminate duplicates Z: 32 72.821 2.530 0.784 0.888 1.000 0.968 CB 2.089 32 residues pruned to eliminate duplicates Z: 33 74.271 2.515 0.875 0.849 1.000 0.844 CB 2.064 33 residues pruned to eliminate duplicates Z: 32 77.614 2.518 0.933 0.874 1.000 0.839 CB 2.084 33 residues pruned to eliminate duplicates Z: 30 72.803 2.516 0.797 0.938 1.000 0.931 C 2.079 32 residues pruned to eliminate duplicates Z: 30 76.153 2.503 0.833 0.940 1.000 0.966 C 2.140 30 residues pruned to eliminate duplicates Z: 31 77.487 2.440 0.944 0.940 1.000 0.967 C 2.071 31 residues pruned to eliminate duplicates Z: 30 84.132 2.509 1.061 0.950 1.000 0.828 C 2.084 30 residues pruned to eliminate duplicates Z: 61 84.720 2.477 0.832 0.742 0.967 0.717 CB 2.008 61 residues pruned to eliminate duplicates Z: 34 72.584 2.473 0.995 0.824 0.970 0.818 CB 1.995 34 residues pruned to eliminate duplicates Z: 33 76.074 2.506 0.918 0.851 1.000 0.812 CB 2.070 33 residues pruned to eliminate duplicates Z: 34 71.124 2.461 1.107 0.820 0.909 0.758 CB 1.989 34 residues pruned to eliminate duplicates Z: 35 64.258 2.369 0.948 0.792 0.941 0.824 CB 1.963 31 residues pruned to eliminate duplicates Z: 31 76.490 2.424 1.075 0.934 0.967 0.933 C 2.002 35 residues pruned to eliminate duplicates Z: 31 86.913 2.446 1.206 0.935 1.000 0.733 C 2.049 31 residues pruned to eliminate duplicates Z: 31 84.551 2.425 1.252 0.932 0.967 0.733 C 2.041 31 residues pruned to eliminate duplicates Z: 33 80.709 2.470 1.148 0.858 0.969 0.875 CB 2.044 33 residues pruned to eliminate duplicates Z: 70 80.833 2.391 0.922 0.700 0.942 0.681 CB 1.874 70 residues pruned to eliminate duplicates Z: 32 61.379 2.370 1.045 0.784 0.935 0.774 CB 1.894 32 residues pruned to eliminate duplicates Z: 40 67.807 2.318 1.099 0.739 0.949 0.641 CB 1.900 37 residues pruned to eliminate duplicates Z: 6 3.425 1.594 0.290 0.431 1.000 0.800 CB 0.800 6 residues pruned to eliminate duplicates Z: 43 56.041 2.274 0.915 0.709 0.929 0.643 CB 1.768 43 residues pruned to eliminate duplicates Z: 27 34.039 2.348 0.590 0.624 0.885 0.462 CB 1.798 27 residues pruned to eliminate duplicates Z: 47 51.175 2.371 0.703 0.625 0.957 0.565 CB 1.737 47 residues pruned to eliminate duplicates Z: 24 38.929 2.441 0.687 0.669 0.870 0.565 CB 1.939 24 residues pruned to eliminate duplicates Z: 58 63.167 2.303 0.736 0.681 0.982 0.719 CB 1.803 58 residues pruned to eliminate duplicates Z: 24 42.043 2.416 0.635 0.686 0.957 0.609 CB 1.957 24 residues pruned to eliminate duplicates Z: 37 35.823 2.193 0.702 0.581 0.889 0.556 CB 1.665 37 residues pruned to eliminate duplicates Z: 25 38.562 2.352 0.718 0.706 0.917 0.583 CB 1.762 25 residues pruned to eliminate duplicates Z: 59 94.938 2.515 1.033 0.766 0.966 0.776 CB 1.994 60 residues pruned to eliminate duplicates Z: 17 36.207 2.439 0.397 0.913 1.000 0.875 CB 1.879 17 residues pruned to eliminate duplicates Z: 18 39.736 2.479 0.654 0.792 0.941 0.765 CB 1.933 18 residues pruned to eliminate duplicates Z: 28 46.833 2.419 0.732 0.688 0.963 0.704 CB 1.880 28 residues pruned to eliminate duplicates Z: 27 37.589 2.292 0.617 0.683 0.923 0.538 CB 1.822 27 residues pruned to eliminate duplicates Z: 20 39.559 2.324 0.656 0.814 0.947 0.579 CB 1.894 20 residues pruned to eliminate duplicates Z: 28 47.867 2.336 0.924 0.704 0.963 0.741 CB 1.767 28 residues pruned to eliminate duplicates Z: 24 33.316 2.450 0.627 0.604 0.826 0.609 CB 1.911 24 residues pruned to eliminate duplicates Z: 25 36.940 2.448 0.605 0.692 0.917 0.708 CB 1.757 25 residues pruned to eliminate duplicates Z: 27 39.906 2.306 0.747 0.611 0.923 0.577 C 1.894 27 residues pruned to eliminate duplicates Z: 26 50.266 2.452 0.916 0.727 0.880 0.600 CB 1.982 26 residues pruned to eliminate duplicates Z: 171 138.920 2.525 0.877 0.646 0.965 0.700 CB 2.034 171 residues pruned to eliminate duplicates Z: 128 95.158 2.430 0.814 0.562 0.937 0.622 CB 1.925 128 residues pruned to eliminate duplicates Z: 31 43.562 2.424 0.806 0.616 0.933 0.633 CB 1.744 31 residues pruned to eliminate duplicates Z: 38 45.700 2.432 0.730 0.607 0.946 0.622 CB 1.707 38 residues pruned to eliminate duplicates Z: 73 100.436 2.479 1.035 0.716 0.972 0.722 CB 1.985 74 residues pruned to eliminate duplicates Z: 7 6.267 1.916 0.812 0.288 0.833 0.167 CA 1.122 7 residues pruned to eliminate duplicates Z: 40 55.801 2.555 0.702 0.629 0.923 0.615 CB 1.971 40 residues pruned to eliminate duplicates Z: 72 62.134 2.377 0.841 0.501 0.930 0.606 CB 1.811 72 residues pruned to eliminate duplicates Z: 23 26.165 2.297 0.842 0.399 0.818 0.409 CB 1.793 23 residues pruned to eliminate duplicates Z: 55 63.440 2.397 0.943 0.562 0.944 0.741 CB 1.848 55 residues pruned to eliminate duplicates Z: 21 18.857 2.092 0.740 0.346 0.800 0.550 C 1.711 21 residues pruned to eliminate duplicates Z: 40 55.091 2.400 0.986 0.591 0.923 0.615 CB 1.837 40 residues pruned to eliminate duplicates Z: 12 26.865 2.438 0.806 0.584 0.818 0.818 CA 2.075 12 residues pruned to eliminate duplicates Z: 145 123.971 2.518 0.854 0.624 0.965 0.674 CB 2.040 145 residues pruned to eliminate duplicates Z: 19 24.515 2.374 0.713 0.553 0.944 0.778 CB 1.429 19 residues pruned to eliminate duplicates Z: 118 94.441 2.392 0.906 0.610 0.940 0.650 CB 1.835 118 residues pruned to eliminate duplicates Z: 61 53.218 2.379 0.840 0.511 0.883 0.667 CB 1.757 61 residues pruned to eliminate duplicates Z: 17 30.880 2.478 0.601 0.575 1.000 0.812 CB 1.810 17 residues pruned to eliminate duplicates Z: 72 62.875 2.411 0.843 0.492 0.930 0.704 CB 1.820 72 residues pruned to eliminate duplicates Z: 63 55.085 2.353 0.816 0.516 0.935 0.629 CB 1.722 63 residues pruned to eliminate duplicates Z: 15 17.213 2.282 0.339 0.549 0.857 0.786 CB 1.675 15 residues pruned to eliminate duplicates Z: 62 60.826 2.334 0.937 0.493 0.984 0.705 CB 1.764 62 residues pruned to eliminate duplicates Z: 30 25.976 2.139 0.743 0.400 0.828 0.586 CB 1.737 30 residues pruned to eliminate duplicates Z: 61 55.658 2.370 0.811 0.498 0.950 0.700 CB 1.767 61 residues pruned to eliminate duplicates Z: 70 56.485 2.377 0.757 0.494 0.899 0.652 CB 1.824 70 residues pruned to eliminate duplicates Z: 77 65.318 2.395 0.876 0.503 0.921 0.671 CB 1.806 77 residues pruned to eliminate duplicates Z: 52 54.770 2.375 0.794 0.595 0.922 0.706 CB 1.784 52 residues pruned to eliminate duplicates Z: 159 121.517 2.527 0.871 0.606 0.911 0.639 CB 2.029 159 residues pruned to eliminate duplicates Z: 61 57.602 2.352 0.875 0.491 0.950 0.633 CB 1.792 61 residues pruned to eliminate duplicates Z: 60 54.214 2.345 0.848 0.524 0.898 0.627 CB 1.771 60 residues pruned to eliminate duplicates Z: 55 55.505 2.309 0.869 0.562 0.944 0.611 CB 1.744 55 residues pruned to eliminate duplicates Z: 45 47.171 2.321 0.901 0.531 0.886 0.682 CB 1.764 45 residues pruned to eliminate duplicates Z: 39 53.472 2.369 1.004 0.597 0.921 0.632 CB 1.809 39 residues pruned to eliminate duplicates Z: 60 53.688 2.338 0.877 0.493 0.949 0.576 CB 1.689 60 residues pruned to eliminate duplicates Z: 63 49.599 2.347 0.814 0.474 0.871 0.597 CB 1.745 63 residues pruned to eliminate duplicates Z: 146 121.775 2.534 0.851 0.611 0.959 0.662 CB 2.025 146 residues pruned to eliminate duplicates Z: 69 60.024 2.383 0.834 0.543 0.912 0.721 CB 1.752 69 residues pruned to eliminate duplicates Z: 45 52.783 2.339 0.967 0.568 0.886 0.750 CB 1.827 45 residues pruned to eliminate duplicates Z: 45 45.756 2.324 0.909 0.525 0.886 0.545 CB 1.711 45 residues pruned to eliminate duplicates Z: 35 46.455 2.342 0.899 0.595 0.912 0.647 CB 1.795 35 residues pruned to eliminate duplicates Z: 44 52.621 2.340 1.022 0.561 0.907 0.698 CB 1.763 44 residues pruned to eliminate duplicates Z: 45 56.282 2.329 0.985 0.573 0.955 0.727 CB 1.792 45 residues pruned to eliminate duplicates Z: 129 115.220 2.502 0.908 0.637 0.930 0.703 CB 2.018 129 residues pruned to eliminate duplicates Z: 46 55.044 2.266 1.054 0.536 0.956 0.600 CB 1.781 46 residues pruned to eliminate duplicates Z: 46 50.766 2.376 1.017 0.569 0.822 0.578 CB 1.797 46 residues pruned to eliminate duplicates Z: 116 94.553 2.404 0.973 0.621 0.913 0.722 CB 1.817 116 residues pruned to eliminate duplicates Z: 62 60.351 2.343 0.994 0.502 0.934 0.607 CB 1.767 62 residues pruned to eliminate duplicates Z: 44 58.092 2.315 1.175 0.572 0.930 0.651 CB 1.764 44 residues pruned to eliminate duplicates Z: 61 59.954 2.364 0.968 0.496 0.933 0.683 CB 1.790 61 residues pruned to eliminate duplicates Z: 45 53.321 2.295 1.073 0.529 0.932 0.636 CB 1.763 45 residues pruned to eliminate duplicates Z: 61 57.891 2.312 0.936 0.529 0.917 0.650 CB 1.770 61 residues pruned to eliminate duplicates Z: 44 51.419 2.317 0.983 0.548 0.930 0.698 CB 1.750 44 residues pruned to eliminate duplicates Z: 43 52.396 2.416 0.863 0.531 0.929 0.738 CB 1.877 43 residues pruned to eliminate duplicates Z: 44 49.950 2.396 0.853 0.552 0.930 0.744 CB 1.754 44 residues pruned to eliminate duplicates Z: 27 40.000 2.296 0.897 0.599 0.923 0.731 CB 1.776 27 residues pruned to eliminate duplicates Z: 70 67.996 2.419 0.957 0.518 0.913 0.681 CB 1.861 70 residues pruned to eliminate duplicates Z: 44 52.216 2.333 1.062 0.540 0.907 0.628 CB 1.754 44 residues pruned to eliminate duplicates Z: 105 78.720 2.387 0.879 0.544 0.942 0.606 CB 1.750 105 residues pruned to eliminate duplicates Z: 61 61.736 2.331 0.977 0.516 0.933 0.667 CB 1.824 61 residues pruned to eliminate duplicates Z: 61 57.451 2.359 0.949 0.494 0.917 0.650 CB 1.771 61 residues pruned to eliminate duplicates Z: 119 104.632 2.499 0.811 0.624 0.941 0.661 CB 2.013 119 residues pruned to eliminate duplicates Z: 61 55.489 2.363 0.841 0.498 0.933 0.667 CB 1.768 61 residues pruned to eliminate duplicates Z: 61 52.943 2.342 0.898 0.478 0.900 0.650 CB 1.748 61 residues pruned to eliminate duplicates Z: 118 108.561 2.497 0.821 0.642 0.949 0.701 CB 2.037 118 residues pruned to eliminate duplicates Z: 62 55.802 2.339 0.884 0.497 0.934 0.705 CB 1.741 62 residues pruned to eliminate duplicates Z: 61 55.037 2.384 0.935 0.486 0.883 0.633 CB 1.769 61 residues pruned to eliminate duplicates Z: 123 123.047 2.552 0.924 0.651 0.951 0.656 CB 2.074 123 residues pruned to eliminate duplicates Z: 61 62.052 2.376 0.975 0.505 0.933 0.617 CB 1.820 61 residues pruned to eliminate duplicates Z: 77 63.667 2.392 0.895 0.477 0.921 0.645 CB 1.789 77 residues pruned to eliminate duplicates Z: 74 62.934 2.384 0.847 0.521 0.918 0.726 CB 1.784 74 residues pruned to eliminate duplicates Z: 62 55.240 2.316 0.915 0.481 0.934 0.639 CB 1.740 62 residues pruned to eliminate duplicates Z: 63 48.462 2.246 0.877 0.435 0.903 0.661 CB 1.728 63 residues pruned to eliminate duplicates Z: 110 119.444 2.574 0.846 0.661 0.972 0.688 CB 2.131 110 residues pruned to eliminate duplicates Z: 107 82.387 2.393 0.927 0.526 0.934 0.642 CB 1.811 107 residues pruned to eliminate duplicates Z: 61 56.160 2.362 0.880 0.498 0.933 0.667 CB 1.753 61 residues pruned to eliminate duplicates Z: 42 41.540 2.311 0.857 0.498 0.902 0.585 CB 1.679 42 residues pruned to eliminate duplicates Z: 57 57.919 2.343 0.916 0.519 0.929 0.750 CB 1.822 57 residues pruned to eliminate duplicates Z: 85 92.742 2.528 0.697 0.672 0.988 0.655 CB 2.035 85 residues pruned to eliminate duplicates Z: 138 119.858 2.534 0.840 0.634 0.978 0.686 CB 1.980 138 residues pruned to eliminate duplicates Z: 93 109.277 2.585 0.808 0.665 0.978 0.674 CB 2.139 93 residues pruned to eliminate duplicates Z: 57 99.328 2.663 0.799 0.796 0.946 0.714 C 2.259 57 residues pruned to eliminate duplicates Z: 82 127.713 2.697 0.931 0.779 0.951 0.704 C 2.241 82 residues pruned to eliminate duplicates Z: 71 110.883 2.651 0.790 0.770 1.000 0.743 C 2.199 71 residues pruned to eliminate duplicates Z: 60 114.642 2.669 0.985 0.830 0.966 0.729 C 2.193 60 residues pruned to eliminate duplicates Z: 58 114.003 2.730 0.859 0.850 0.965 0.754 C 2.285 58 residues pruned to eliminate duplicates Z: 69 111.877 2.671 0.855 0.767 0.985 0.721 C 2.193 69 residues pruned to eliminate duplicates Z: 77 97.197 2.551 0.893 0.713 0.908 0.684 C 2.096 77 residues pruned to eliminate duplicates Z: 71 108.617 2.660 0.893 0.749 0.929 0.757 C 2.223 71 residues pruned to eliminate duplicates Z: 59 102.973 2.689 0.760 0.847 0.948 0.810 C 2.237 59 residues pruned to eliminate duplicates Z: 70 114.855 2.694 0.836 0.783 0.971 0.710 C 2.243 70 residues pruned to eliminate duplicates Z: 59 110.524 2.692 0.841 0.827 0.983 0.741 C 2.245 59 residues pruned to eliminate duplicates Z: 68 116.601 2.665 0.936 0.787 0.955 0.701 C 2.246 68 residues pruned to eliminate duplicates Z: 71 119.829 2.644 0.946 0.765 1.000 0.700 C 2.201 71 residues pruned to eliminate duplicates Z: 21 72.716 2.669 1.333 0.849 0.850 0.600 CA 2.277 21 residues pruned to eliminate duplicates Z: 60 105.169 2.655 0.876 0.795 0.932 0.712 C 2.278 60 residues pruned to eliminate duplicates Z: 58 115.504 2.698 0.911 0.836 0.982 0.737 C 2.260 58 residues pruned to eliminate duplicates Z: 59 112.742 2.719 0.877 0.828 0.966 0.707 C 2.263 59 residues pruned to eliminate duplicates Z: 64 115.286 2.651 0.992 0.769 0.984 0.762 C 2.203 64 residues pruned to eliminate duplicates Z: 69 116.805 2.666 0.950 0.738 0.971 0.721 C 2.267 69 residues pruned to eliminate duplicates Z: 46 106.072 2.735 0.969 0.827 0.978 0.733 C 2.263 46 residues pruned to eliminate duplicates Z: 59 105.026 2.684 0.854 0.815 0.948 0.741 C 2.222 59 residues pruned to eliminate duplicates Z: 58 116.938 2.729 0.938 0.831 0.965 0.702 C 2.280 58 residues pruned to eliminate duplicates Z: 70 124.502 2.711 0.946 0.765 0.986 0.739 C 2.280 70 residues pruned to eliminate duplicates Z: 69 122.409 2.696 0.980 0.770 0.971 0.750 C 2.255 69 residues pruned to eliminate duplicates Z: 40 76.420 2.516 0.818 0.796 0.974 0.744 C 2.118 40 residues pruned to eliminate duplicates Z: 59 113.512 2.684 0.940 0.828 0.948 0.707 C 2.274 59 residues pruned to eliminate duplicates Z: 69 117.180 2.682 0.937 0.765 0.971 0.691 CB 2.228 69 residues pruned to eliminate duplicates Z: 71 115.427 2.648 1.016 0.742 0.943 0.671 C 2.208 71 residues pruned to eliminate duplicates Z: 59 102.432 2.632 0.847 0.810 0.966 0.707 C 2.187 59 residues pruned to eliminate duplicates Z: 40 77.824 2.580 0.760 0.807 0.949 0.795 C 2.213 40 residues pruned to eliminate duplicates Z: 84 103.317 2.505 0.882 0.695 0.940 0.711 CB 2.143 84 residues pruned to eliminate duplicates Z: 68 114.873 2.688 0.930 0.758 0.955 0.761 C 2.252 68 residues pruned to eliminate duplicates Z: 68 119.688 2.697 0.995 0.789 0.940 0.791 C 2.242 68 residues pruned to eliminate duplicates Z: 71 109.523 2.642 0.885 0.755 0.943 0.686 C 2.222 71 residues pruned to eliminate duplicates Z: 66 96.854 2.523 0.901 0.729 0.954 0.723 C 2.137 66 residues pruned to eliminate duplicates Z: 71 112.330 2.683 0.898 0.751 0.943 0.714 C 2.234 71 residues pruned to eliminate duplicates Z: 67 120.072 2.689 1.026 0.773 0.939 0.697 C 2.268 67 residues pruned to eliminate duplicates Z: 55 67.531 2.461 0.696 0.651 0.926 0.759 C 2.066 55 residues pruned to eliminate duplicates Z: 89 117.651 2.619 0.891 0.719 0.966 0.670 CB 2.151 89 residues pruned to eliminate duplicates Z: 71 115.940 2.695 0.887 0.750 0.957 0.786 C 2.278 71 residues pruned to eliminate duplicates Z: 37 69.960 2.595 0.610 0.850 0.944 0.833 C 2.190 37 residues pruned to eliminate duplicates Z: 43 65.285 2.440 0.594 0.763 0.952 0.667 C 2.154 43 residues pruned to eliminate duplicates Z: 38 72.602 2.544 0.718 0.841 0.946 0.811 CB 2.154 38 residues pruned to eliminate duplicates Z: 69 123.743 2.712 0.964 0.777 0.971 0.824 CB 2.273 69 residues pruned to eliminate duplicates Z: 71 114.632 2.630 0.934 0.746 0.986 0.686 C 2.193 71 residues pruned to eliminate duplicates Z: 48 88.928 2.563 0.889 0.770 0.979 0.809 CB 2.156 48 residues pruned to eliminate duplicates Z: 72 107.105 2.620 0.866 0.744 0.958 0.761 C 2.183 72 residues pruned to eliminate duplicates Z: 71 111.862 2.653 0.948 0.749 0.943 0.629 C 2.197 71 residues pruned to eliminate duplicates Z: 67 120.324 2.734 0.907 0.777 0.970 0.697 C 2.295 67 residues pruned to eliminate duplicates Z: 83 132.876 2.689 0.962 0.790 0.963 0.756 C 2.237 83 residues pruned to eliminate duplicates Z: 48 81.411 2.642 0.712 0.769 0.936 0.851 C 2.209 48 residues pruned to eliminate duplicates Z: 70 109.473 2.695 0.833 0.770 0.942 0.725 CB 2.229 70 residues pruned to eliminate duplicates Z: 69 107.377 2.618 0.873 0.765 0.956 0.765 C 2.195 69 residues pruned to eliminate duplicates Z: 47 85.621 2.615 0.784 0.765 0.978 0.783 CB 2.187 47 residues pruned to eliminate duplicates Z: 48 86.929 2.644 0.751 0.767 0.979 0.745 CB 2.209 48 residues pruned to eliminate duplicates Z: 71 116.204 2.668 0.928 0.766 0.957 0.714 CB 2.228 71 residues pruned to eliminate duplicates Z: 48 88.543 2.607 0.809 0.773 0.979 0.766 C 2.198 48 residues pruned to eliminate duplicates Z: 49 80.119 2.583 0.742 0.756 0.958 0.812 C 2.134 49 residues pruned to eliminate duplicates Z: 70 122.011 2.689 0.941 0.781 0.986 0.812 C 2.229 70 residues pruned to eliminate duplicates Z: 70 117.666 2.684 1.000 0.750 0.942 0.768 CB 2.241 70 residues pruned to eliminate duplicates Z: 70 112.788 2.673 0.874 0.764 0.957 0.725 CB 2.242 70 residues pruned to eliminate duplicates Z: 71 116.694 2.665 0.912 0.764 0.957 0.729 CB 2.263 71 residues pruned to eliminate duplicates Z: 82 132.005 2.683 0.977 0.777 0.975 0.691 CB 2.221 82 residues pruned to eliminate duplicates Z: 71 109.649 2.662 0.821 0.777 0.957 0.771 C 2.214 71 residues pruned to eliminate duplicates Z: 70 117.992 2.707 0.941 0.770 0.942 0.710 CB 2.259 70 residues pruned to eliminate duplicates Z: 17 33.486 2.400 0.914 0.658 0.875 0.562 CB 1.799 17 residues pruned to eliminate duplicates Z: 14 49.527 2.666 1.372 0.739 0.846 0.615 CB 2.071 14 residues pruned to eliminate duplicates Z: 23 41.240 2.368 1.072 0.719 0.773 0.364 CB 1.902 23 residues pruned to eliminate duplicates Z: 33 48.382 2.523 0.842 0.510 0.906 0.531 CB 2.010 33 residues pruned to eliminate duplicates Z: 35 50.448 2.396 0.785 0.651 0.971 0.588 CB 1.810 35 residues pruned to eliminate duplicates Z: 28 57.657 2.581 1.112 0.630 0.926 0.704 CB 1.945 28 residues pruned to eliminate duplicates Z: 32 45.948 2.517 0.710 0.511 0.903 0.516 CB 2.099 32 residues pruned to eliminate duplicates Z: 44 60.084 2.572 0.869 0.551 0.884 0.581 CB 2.053 44 residues pruned to eliminate duplicates Z: 20 52.063 2.504 1.241 0.696 0.895 0.579 C 1.988 20 residues pruned to eliminate duplicates Z: 20 29.829 2.310 0.897 0.635 0.842 0.526 CB 1.634 20 residues pruned to eliminate duplicates Z: 79 105.813 2.646 0.841 0.699 0.936 0.692 CB 2.191 79 residues pruned to eliminate duplicates Z: 20 40.689 2.418 1.175 0.655 0.895 0.526 CB 1.717 20 residues pruned to eliminate duplicates Z: 101 122.465 2.623 0.857 0.713 0.960 0.670 CB 2.159 101 residues pruned to eliminate duplicates Z: 36 42.140 2.390 0.830 0.566 0.857 0.486 CB 1.783 36 residues pruned to eliminate duplicates Z: 21 46.743 2.549 0.971 0.694 0.950 0.650 CB 1.834 21 residues pruned to eliminate duplicates Z: 24 26.874 2.294 0.694 0.380 0.870 0.478 CA 1.885 24 residues pruned to eliminate duplicates Z: 21 34.072 2.434 0.613 0.450 1.000 0.550 CB 2.043 21 residues pruned to eliminate duplicates Z: 22 32.079 2.436 0.792 0.459 0.810 0.571 C 2.066 22 residues pruned to eliminate duplicates Z: 21 32.415 2.460 0.639 0.488 0.950 0.550 CB 1.915 21 residues pruned to eliminate duplicates Z: 102 135.517 2.685 0.872 0.729 0.980 0.713 CB 2.227 102 residues pruned to eliminate duplicates Z: 37 60.329 2.495 0.958 0.606 0.889 0.639 CB 2.094 37 residues pruned to eliminate duplicates Z: 37 53.312 2.467 1.128 0.574 0.806 0.667 C 1.956 37 residues pruned to eliminate duplicates Z: 38 59.167 2.518 0.892 0.636 0.946 0.622 CB 1.900 39 residues pruned to eliminate duplicates Z: 6 8.133 1.853 0.765 0.368 0.800 0.600 N 1.601 6 residues pruned to eliminate duplicates Z: 20 35.378 2.469 0.906 0.486 0.895 0.579 CB 1.955 20 residues pruned to eliminate duplicates Z: 17 36.614 2.578 0.950 0.466 0.875 0.688 C 2.153 17 residues pruned to eliminate duplicates Z: 11 23.704 2.104 0.858 0.614 1.000 0.800 CA 1.722 10 residues pruned to eliminate duplicates Z: 8 15.225 2.527 0.175 0.598 0.857 0.429 CB 2.060 8 residues pruned to eliminate duplicates Z: 30 54.185 2.476 0.953 0.598 0.931 0.586 C 2.036 30 residues pruned to eliminate duplicates Z: 95 121.748 2.631 0.887 0.694 0.968 0.670 C 2.187 95 residues pruned to eliminate duplicates Z: 77 84.143 2.450 0.950 0.629 0.908 0.566 CB 1.971 77 residues pruned to eliminate duplicates Z: 58 65.824 2.396 0.756 0.590 0.965 0.684 CB 1.971 63 residues pruned to eliminate duplicates Z: 9 19.023 2.097 0.433 0.830 1.000 0.750 CA 1.683 9 residues pruned to eliminate duplicates Z: 38 48.783 2.393 0.787 0.481 0.973 0.703 CB 1.965 38 residues pruned to eliminate duplicates Z: 20 31.615 2.282 0.811 0.484 1.000 0.684 CB 1.784 20 residues pruned to eliminate duplicates Z: 51 74.627 2.521 0.877 0.607 0.980 0.600 CB 2.054 51 residues pruned to eliminate duplicates Z: 40 58.999 2.471 0.740 0.648 0.949 0.692 C 2.017 40 residues pruned to eliminate duplicates Z: 37 64.745 2.560 0.717 0.688 0.972 0.694 CB 2.125 37 residues pruned to eliminate duplicates Z: 74 89.885 2.563 0.898 0.652 0.890 0.630 CB 2.109 74 residues pruned to eliminate duplicates Z: 89 92.772 2.534 0.857 0.592 0.955 0.670 CB 2.016 89 residues pruned to eliminate duplicates Z: 40 62.427 2.469 0.834 0.635 0.974 0.615 CB 1.996 40 residues pruned to eliminate duplicates Z: 93 97.797 2.514 0.889 0.636 0.913 0.620 CB 2.069 93 residues pruned to eliminate duplicates Z: 92 104.625 2.533 0.968 0.639 0.934 0.659 CB 2.068 94 residues pruned to eliminate duplicates Z: 6 7.094 1.879 0.365 0.338 1.000 0.800 CA 1.476 6 residues pruned to eliminate duplicates Z: 54 69.696 2.471 0.821 0.577 0.981 0.660 CB 2.013 54 residues pruned to eliminate duplicates Z: 25 35.969 2.265 0.862 0.514 0.958 0.667 CB 1.791 25 residues pruned to eliminate duplicates Z: 94 94.619 2.471 0.883 0.639 0.935 0.656 CB 1.978 94 residues pruned to eliminate duplicates Z: 75 86.853 2.557 0.931 0.627 0.905 0.649 CB 2.005 75 residues pruned to eliminate duplicates Z: 33 34.708 2.177 0.715 0.579 0.938 0.625 CB 1.625 33 residues pruned to eliminate duplicates Z: 90 103.356 2.565 0.912 0.632 0.955 0.596 CB 2.066 90 residues pruned to eliminate duplicates Z: 18 52.240 2.559 0.641 0.918 1.000 0.882 CB 2.127 18 residues pruned to eliminate duplicates Z: 77 83.394 2.485 0.957 0.604 0.921 0.579 CB 1.935 77 residues pruned to eliminate duplicates Z: 30 53.244 2.496 0.845 0.613 0.966 0.552 CB 1.999 30 residues pruned to eliminate duplicates Z: 58 75.459 2.492 0.995 0.613 0.912 0.544 CB 1.980 58 residues pruned to eliminate duplicates Z: 75 90.835 2.503 0.876 0.626 0.973 0.676 CB 2.051 75 residues pruned to eliminate duplicates Z: 72 98.829 2.567 0.948 0.655 0.986 0.577 CB 2.059 72 residues pruned to eliminate duplicates Z: 29 59.993 2.524 0.926 0.656 0.964 0.750 C 2.092 29 residues pruned to eliminate duplicates Z: 39 58.061 2.504 0.839 0.604 0.921 0.632 CB 2.012 39 residues pruned to eliminate duplicates Z: 21 36.563 2.428 0.599 0.711 0.950 0.500 CB 1.830 21 residues pruned to eliminate duplicates Z: 33 44.222 2.403 0.699 0.549 0.938 0.594 CB 1.947 33 residues pruned to eliminate duplicates Z: 55 78.328 2.562 0.892 0.663 0.907 0.704 CB 2.084 55 residues pruned to eliminate duplicates Z: 39 62.169 2.468 0.926 0.632 1.000 0.632 CB 1.875 39 residues pruned to eliminate duplicates Z: 95 94.463 2.460 0.929 0.609 0.947 0.574 CB 1.955 95 residues pruned to eliminate duplicates Z: 18 54.984 2.570 0.869 0.877 0.941 0.647 C 2.143 18 residues pruned to eliminate duplicates Z: 41 53.606 2.406 0.829 0.615 0.925 0.650 CB 1.868 41 residues pruned to eliminate duplicates Z: 83 110.464 2.588 1.087 0.659 0.939 0.585 CB 2.075 83 residues pruned to eliminate duplicates Z: 70 95.029 2.610 0.924 0.658 0.942 0.681 CB 2.088 70 residues pruned to eliminate duplicates Z: 61 91.079 2.523 1.060 0.651 0.950 0.567 C 2.069 61 residues pruned to eliminate duplicates Z: 43 54.047 2.359 0.966 0.544 0.905 0.571 CB 1.904 43 residues pruned to eliminate duplicates Z: 90 91.498 2.507 0.875 0.585 0.978 0.618 CB 1.946 90 residues pruned to eliminate duplicates Z: 92 98.977 2.445 0.992 0.623 0.945 0.560 C 2.008 92 residues pruned to eliminate duplicates Z: 15 31.626 2.435 0.864 0.542 0.929 0.500 CB 1.925 15 residues pruned to eliminate duplicates Z: 92 98.975 2.509 0.966 0.623 0.934 0.637 CB 2.006 92 residues pruned to eliminate duplicates Z: 60 86.137 2.566 0.939 0.665 0.932 0.627 CB 2.075 60 residues pruned to eliminate duplicates Z: 96 101.561 2.482 1.002 0.623 0.916 0.611 C 2.040 96 residues pruned to eliminate duplicates Z: 95 105.388 2.491 0.994 0.615 0.968 0.585 C 2.027 95 residues pruned to eliminate duplicates Z: 71 83.502 2.558 0.851 0.631 0.914 0.643 CB 2.037 71 residues pruned to eliminate duplicates Z: 51 72.250 2.535 0.973 0.578 0.920 0.560 CB 2.060 51 residues pruned to eliminate duplicates Z: 52 79.340 2.543 1.000 0.628 0.941 0.569 C 2.057 52 residues pruned to eliminate duplicates Z: 33 65.031 2.515 0.950 0.799 0.875 0.594 C 2.062 33 residues pruned to eliminate duplicates Z: 43 51.509 2.385 0.956 0.548 0.905 0.619 CB 1.797 43 residues pruned to eliminate duplicates Z: 45 56.031 2.418 0.855 0.630 0.864 0.568 C 1.930 45 residues pruned to eliminate duplicates Z: 76 71.067 2.387 0.847 0.566 0.907 0.573 CB 1.927 76 residues pruned to eliminate duplicates Z: 92 104.707 2.551 0.911 0.648 0.945 0.659 C 2.076 92 residues pruned to eliminate duplicates Z: 74 85.745 2.489 0.841 0.632 0.973 0.630 CB 1.990 74 residues pruned to eliminate duplicates Z: 92 96.498 2.488 1.054 0.626 0.890 0.637 CB 1.975 92 residues pruned to eliminate duplicates Z: 37 44.486 2.366 0.758 0.594 0.833 0.556 C 1.954 37 residues pruned to eliminate duplicates Z: 43 56.297 2.380 0.825 0.643 0.929 0.643 CB 1.885 43 residues pruned to eliminate duplicates Z: 92 106.021 2.525 1.035 0.636 0.934 0.637 C 2.039 91 residues pruned to eliminate duplicates Z: 21 55.028 2.496 0.857 0.851 0.950 0.600 CA 2.068 21 residues pruned to eliminate duplicates Z: 53 62.941 2.442 0.937 0.619 0.827 0.538 C 1.994 53 residues pruned to eliminate duplicates Z: 19 62.079 2.682 0.798 0.846 1.000 0.611 CB 2.255 19 residues pruned to eliminate duplicates Z: 78 88.062 2.479 1.004 0.622 0.935 0.649 CB 1.926 78 residues pruned to eliminate duplicates Z: 73 95.448 2.545 0.977 0.638 0.972 0.736 CB 2.020 73 residues pruned to eliminate duplicates Z: 94 92.435 2.430 0.956 0.608 0.935 0.634 CB 1.945 94 residues pruned to eliminate duplicates Z: 77 87.254 2.432 0.916 0.653 0.934 0.553 CB 1.994 77 residues pruned to eliminate duplicates Z: 95 101.358 2.494 0.976 0.637 0.936 0.670 CB 1.992 94 residues pruned to eliminate duplicates Z: 28 69.955 2.549 0.917 0.901 0.926 0.704 C 2.124 28 residues pruned to eliminate duplicates Z: 46 57.079 2.418 0.902 0.602 0.889 0.600 CB 1.888 46 residues pruned to eliminate duplicates Z: 45 64.121 2.456 0.838 0.676 0.909 0.705 CB 2.003 45 residues pruned to eliminate duplicates Z: 45 55.438 2.420 0.809 0.607 0.909 0.545 CB 1.897 45 residues pruned to eliminate duplicates Z: 47 52.692 2.344 0.720 0.590 0.935 0.630 CB 1.891 47 residues pruned to eliminate duplicates Z: 20 42.141 2.444 1.011 0.572 0.947 0.632 C 1.937 20 residues pruned to eliminate duplicates Z: 84 90.123 2.498 0.835 0.652 0.940 0.590 CB 1.994 84 residues pruned to eliminate duplicates Z: 23 36.510 2.250 0.862 0.551 1.000 0.773 CB 1.768 23 residues pruned to eliminate duplicates Z: 93 97.220 2.495 0.973 0.597 0.957 0.609 CB 1.963 93 residues pruned to eliminate duplicates Z: 80 84.749 2.437 0.918 0.631 0.949 0.608 CB 1.900 80 residues pruned to eliminate duplicates Z: 91 95.232 2.492 0.790 0.635 0.967 0.700 CB 2.052 91 residues pruned to eliminate duplicates Z: 91 101.063 2.505 0.897 0.666 0.978 0.722 CB 1.966 91 residues pruned to eliminate duplicates Z: 71 77.453 2.455 0.823 0.623 0.971 0.671 CB 1.896 71 residues pruned to eliminate duplicates Z: 23 30.063 2.215 0.620 0.524 0.955 0.682 C 1.827 23 residues pruned to eliminate duplicates Z: 21 40.596 2.385 0.898 0.590 0.950 0.850 CB 1.938 21 residues pruned to eliminate duplicates Z: 92 82.039 2.466 0.684 0.612 0.934 0.626 CB 1.993 94 residues pruned to eliminate duplicates Z: 9 13.071 1.729 0.858 0.550 1.000 0.875 C 1.369 9 residues pruned to eliminate duplicates Z: 47 63.390 2.406 0.766 0.651 0.957 0.652 C 1.997 45 residues pruned to eliminate duplicates 324 residues left after pruning, divided into chains as follows: A: 324 CC for partial structure against native data = 37.07 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.409, Connect. = 0.770 for dens.mod. cycle 1 = 0.300, Contrast = 0.471, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.565, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 0.583, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 0.614, Connect. = 0.835 for dens.mod. cycle 6 = 0.300, Contrast = 0.626, Connect. = 0.837 for dens.mod. cycle 7 = 0.300, Contrast = 0.635, Connect. = 0.838 for dens.mod. cycle 8 = 0.300, Contrast = 0.642, Connect. = 0.839 for dens.mod. cycle 9 = 0.300, Contrast = 0.649, Connect. = 0.840 for dens.mod. cycle 10 TimeTaking 179.87