null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:17:27 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: ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.ins Phases from ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.phi Native data from ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.hkl Listing output to ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.lst Phases output to ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.phs Poly-Ala trace output to ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 23367 Reflections read from file ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.phi 23367 Reflections read from file ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.hkl 23367 Unique data, highest resolution = 2.050 Angstroms Anisotropic scaling: intensities multiplied by 0.000284h^2 +0.000070k^2 -0.000147l^2 +0.000000kl +0.000000hl +0.000000hk 15 Reflections with d > 2.250 and 0 in range 2.250 > d > 2.050 added Density sharpening factor set to 0.67 Fourier grid = 128 x 128 x 32 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.300, Contrast = 0.217, Connect. = 0.673 for dens.mod. cycle 1 = 0.300, Contrast = 0.279, Connect. = 0.689 for dens.mod. cycle 2 = 0.300, Contrast = 0.369, Connect. = 0.729 for dens.mod. cycle 3 = 0.300, Contrast = 0.403, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.425, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.441, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.452, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.461, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.468, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.472, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1538 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 372 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 17.880 1.927 0.437 0.884 0.920 0.680 CB 1.015 B: 23 31.244 2.025 1.059 0.902 0.955 0.864 CB 1.193 C: 25 33.635 1.973 0.787 0.954 1.000 0.958 CA 1.340 D: 29 35.787 2.002 0.726 0.900 0.964 0.821 CA 1.450 E: 28 36.677 1.932 0.813 0.943 0.963 0.741 CB 1.450 F: 26 29.608 1.864 0.746 0.948 0.960 0.640 CB 1.308 G: 28 38.420 1.927 0.842 0.948 1.000 0.704 CB 1.439 28 residues pruned to eliminate duplicates H: 30 37.925 1.954 1.083 0.937 0.966 0.690 CB 1.247 25 residues pruned to eliminate duplicates I: 16 24.451 2.051 0.544 0.941 1.000 1.000 CB 1.384 16 residues pruned to eliminate duplicates J: 26 18.664 1.780 0.509 0.929 1.000 0.640 CB 0.972 K: 24 28.822 1.946 0.837 0.864 0.913 0.652 CB 1.350 22 residues pruned to eliminate duplicates L: 28 50.408 2.064 1.035 0.944 1.000 0.667 CB 1.600 29 residues pruned to eliminate duplicates M: 30 33.508 1.993 0.569 0.894 1.000 0.828 CA 1.428 30 residues pruned to eliminate duplicates N: 23 28.252 1.988 0.914 0.941 0.955 0.727 CB 1.151 23 residues pruned to eliminate duplicates O: 27 37.096 1.960 0.793 0.953 1.000 0.923 CA 1.426 27 residues pruned to eliminate duplicates P: 24 28.738 1.953 0.945 0.895 0.957 0.913 CB 1.183 24 residues pruned to eliminate duplicates Q: 31 38.043 1.953 0.730 0.885 1.000 0.933 CA 1.484 31 residues pruned to eliminate duplicates R: 27 25.549 1.866 0.547 0.883 0.962 0.769 CA 1.305 27 residues pruned to eliminate duplicates S: 28 35.912 1.944 1.119 0.924 0.889 0.481 CB 1.325 28 residues pruned to eliminate duplicates T: 28 51.707 2.070 1.043 0.942 1.000 0.704 CA 1.632 27 residues pruned to eliminate duplicates U: 36 39.526 1.999 0.754 0.883 1.000 0.714 CB 1.378 V: 27 34.095 1.951 0.751 0.950 1.000 0.962 CB 1.351 27 residues pruned to eliminate duplicates W: 29 34.525 1.996 0.637 0.917 1.000 0.893 CA 1.410 29 residues pruned to eliminate duplicates X: 98 61.510 1.974 0.957 0.765 0.959 0.619 CB 1.333 65 residues pruned to eliminate duplicates Y: 21 35.019 2.071 1.052 0.954 1.000 0.850 CB 1.267 23 residues pruned to eliminate duplicates Z: 29 48.400 2.024 1.135 0.939 0.929 0.679 CA 1.584 29 residues pruned to eliminate duplicates Z: 28 32.219 2.019 0.645 0.892 0.963 0.778 CA 1.392 28 residues pruned to eliminate duplicates Z: 29 40.430 1.983 0.922 0.926 0.929 0.643 CB 1.514 29 residues pruned to eliminate duplicates Z: 30 41.405 1.997 0.926 0.903 0.966 0.828 CA 1.475 30 residues pruned to eliminate duplicates Z: 30 32.989 1.932 0.782 0.924 0.966 0.897 CB 1.293 30 residues pruned to eliminate duplicates Z: 11 15.169 1.896 0.553 0.892 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 29 32.720 1.819 0.807 0.917 1.000 0.786 CA 1.328 Z: 29 27.661 1.817 0.568 0.930 1.000 0.893 CA 1.283 28 residues pruned to eliminate duplicates Z: 25 30.830 1.944 1.028 0.891 1.000 0.667 CB 1.147 23 residues pruned to eliminate duplicates Z: 28 28.169 1.948 0.608 0.922 0.926 0.852 CA 1.314 28 residues pruned to eliminate duplicates Z: 25 18.656 1.781 0.855 0.937 0.917 0.625 CB 0.875 24 residues pruned to eliminate duplicates Z: 28 31.572 1.973 0.624 0.914 1.000 0.926 CA 1.341 28 residues pruned to eliminate duplicates Z: 17 28.371 1.987 0.723 0.933 1.000 1.000 CA 1.446 17 residues pruned to eliminate duplicates Z: 27 35.788 1.976 1.139 0.937 0.885 0.731 CB 1.306 27 residues pruned to eliminate duplicates Z: 26 28.024 1.872 0.837 0.940 0.880 0.680 CB 1.286 26 residues pruned to eliminate duplicates Z: 29 32.725 1.963 0.758 0.897 1.000 0.857 CA 1.283 29 residues pruned to eliminate duplicates Z: 29 32.991 2.002 0.703 0.905 0.929 0.679 CA 1.401 29 residues pruned to eliminate duplicates Z: 13 26.199 2.145 0.753 0.920 1.000 0.833 CA 1.417 13 residues pruned to eliminate duplicates Z: 15 16.997 1.803 0.786 0.845 0.929 0.857 CA 1.130 15 residues pruned to eliminate duplicates Z: 27 40.122 1.998 0.937 0.951 1.000 0.692 CB 1.401 27 residues pruned to eliminate duplicates Z: 27 38.167 1.973 0.962 0.913 1.000 0.615 CB 1.369 27 residues pruned to eliminate duplicates Z: 29 37.593 1.998 0.890 0.885 0.964 0.786 CB 1.409 29 residues pruned to eliminate duplicates Z: 29 35.020 1.945 0.792 0.915 0.964 0.643 CB 1.392 30 residues pruned to eliminate duplicates Z: 18 23.366 1.946 0.654 0.914 1.000 0.824 CA 1.245 18 residues pruned to eliminate duplicates Z: 26 28.429 2.012 0.431 0.968 1.000 1.000 CA 1.346 26 residues pruned to eliminate duplicates Z: 23 28.584 2.002 0.837 0.952 0.955 0.818 CB 1.196 23 residues pruned to eliminate duplicates Z: 11 12.327 1.815 0.481 0.826 0.900 0.700 CB 1.216 11 residues pruned to eliminate duplicates Z: 28 21.813 1.913 0.536 0.921 0.926 0.667 CB 1.086 25 residues pruned to eliminate duplicates Z: 27 24.669 1.865 0.565 0.883 0.923 0.731 CA 1.298 27 residues pruned to eliminate duplicates Z: 30 41.257 1.953 0.834 0.940 1.000 0.483 CA 1.485 30 residues pruned to eliminate duplicates Z: 29 29.812 1.787 0.735 0.918 1.000 0.821 CA 1.282 29 residues pruned to eliminate duplicates Z: 10 12.372 1.931 0.443 0.839 1.000 0.667 CB 1.105 12 residues pruned to eliminate duplicates Z: 26 34.688 1.993 0.857 0.956 1.000 0.840 CB 1.288 26 residues pruned to eliminate duplicates Z: 23 28.826 2.003 0.936 0.939 0.909 0.909 CB 1.212 23 residues pruned to eliminate duplicates Z: 28 34.739 2.053 0.763 0.884 0.963 0.963 CA 1.386 28 residues pruned to eliminate duplicates Z: 29 28.241 1.931 0.484 0.929 1.000 0.964 CA 1.302 29 residues pruned to eliminate duplicates Z: 26 39.365 1.966 1.023 0.940 1.000 0.560 CB 1.375 27 residues pruned to eliminate duplicates Z: 28 38.640 1.958 1.146 0.909 0.926 0.630 CB 1.356 28 residues pruned to eliminate duplicates Z: 28 29.824 1.821 0.760 0.909 0.963 0.741 CB 1.320 28 residues pruned to eliminate duplicates Z: 30 30.379 1.903 0.562 0.931 1.000 0.931 CA 1.326 30 residues pruned to eliminate duplicates Z: 17 20.898 1.863 0.694 0.942 1.000 0.688 CB 1.148 17 residues pruned to eliminate duplicates Z: 29 28.665 1.927 0.549 0.928 0.964 0.964 CA 1.318 29 residues pruned to eliminate duplicates Z: 11 14.258 1.854 0.680 0.889 1.000 0.600 CB 1.042 11 residues pruned to eliminate duplicates Z: 29 33.201 1.964 0.647 0.906 0.964 0.857 CA 1.431 29 residues pruned to eliminate duplicates Z: 27 34.574 1.955 0.754 0.949 0.962 0.846 CB 1.419 27 residues pruned to eliminate duplicates Z: 11 12.568 1.916 0.437 0.821 1.000 0.500 CB 1.092 11 residues pruned to eliminate duplicates Z: 27 38.551 1.950 0.929 0.928 1.000 0.846 CA 1.407 27 residues pruned to eliminate duplicates Z: 28 28.723 1.973 0.547 0.888 0.963 0.815 CA 1.355 28 residues pruned to eliminate duplicates Z: 26 29.858 1.865 0.748 0.936 1.000 0.760 CA 1.275 26 residues pruned to eliminate duplicates Z: 28 32.266 2.011 0.520 0.950 1.000 0.926 CA 1.401 28 residues pruned to eliminate duplicates Z: 29 24.963 1.968 0.420 0.869 0.929 0.857 CA 1.329 29 residues pruned to eliminate duplicates Z: 29 43.860 1.993 0.820 0.936 1.000 0.607 CA 1.591 29 residues pruned to eliminate duplicates Z: 27 26.426 1.878 0.716 0.905 0.885 0.692 CB 1.294 27 residues pruned to eliminate duplicates Z: 30 43.690 1.986 1.004 0.897 0.966 0.483 CB 1.512 30 residues pruned to eliminate duplicates Z: 30 36.799 1.960 0.783 0.890 0.966 0.690 CA 1.457 30 residues pruned to eliminate duplicates Z: 30 20.577 1.873 0.505 0.893 0.966 0.759 CB 1.008 30 residues pruned to eliminate duplicates Z: 21 20.894 1.819 0.671 0.929 0.950 0.800 CB 1.133 Z: 28 52.835 2.041 1.193 0.936 1.000 0.481 CB 1.583 28 residues pruned to eliminate duplicates Z: 27 23.331 1.753 0.832 0.933 1.000 0.731 CB 0.994 26 residues pruned to eliminate duplicates Z: 25 31.758 1.987 0.518 0.944 1.000 0.792 CB 1.488 25 residues pruned to eliminate duplicates Z: 24 24.588 1.930 0.769 0.895 0.957 0.870 CB 1.126 24 residues pruned to eliminate duplicates Z: 10 13.314 1.903 0.355 0.916 1.000 0.667 CB 1.216 10 residues pruned to eliminate duplicates Z: 29 37.267 2.002 0.856 0.884 1.000 0.393 CB 1.370 29 residues pruned to eliminate duplicates Z: 24 21.223 1.945 0.318 0.886 0.957 0.826 CB 1.302 24 residues pruned to eliminate duplicates Z: 27 22.401 1.748 0.835 0.932 1.000 0.654 CB 0.956 27 residues pruned to eliminate duplicates Z: 22 24.018 1.984 0.488 0.941 1.000 0.952 CB 1.233 24 residues pruned to eliminate duplicates Z: 26 19.964 1.718 0.733 0.942 1.000 0.680 CB 0.930 26 residues pruned to eliminate duplicates Z: 27 36.464 1.966 0.907 0.927 1.000 0.615 CB 1.337 27 residues pruned to eliminate duplicates Z: 22 14.871 1.852 0.563 0.626 1.000 0.619 CB 0.996 22 residues pruned to eliminate duplicates Z: 27 23.574 1.926 0.769 0.921 0.885 0.731 CB 1.079 28 residues pruned to eliminate duplicates Z: 21 21.834 1.825 0.714 0.948 1.000 0.800 CB 1.077 21 residues pruned to eliminate duplicates Z: 21 26.041 2.059 0.517 0.933 1.000 0.950 CB 1.301 21 residues pruned to eliminate duplicates Z: 28 25.163 1.803 0.690 0.871 0.963 0.667 CB 1.203 28 residues pruned to eliminate duplicates Z: 28 36.124 2.027 0.945 0.905 0.926 0.593 CB 1.355 28 residues pruned to eliminate duplicates Z: 15 20.377 1.972 0.735 0.870 0.857 0.786 CA 1.355 15 residues pruned to eliminate duplicates Z: 25 21.407 1.915 0.433 0.929 1.000 0.875 CB 1.114 25 residues pruned to eliminate duplicates Z: 29 53.022 2.025 1.186 0.964 1.000 0.750 CB 1.546 29 residues pruned to eliminate duplicates Z: 29 23.118 1.910 0.498 0.937 1.000 0.750 CB 1.063 29 residues pruned to eliminate duplicates Z: 25 21.628 1.805 0.727 0.929 0.958 0.667 CB 1.034 25 residues pruned to eliminate duplicates Z: 26 35.669 2.020 0.712 0.943 1.000 0.840 CB 1.430 26 residues pruned to eliminate duplicates Z: 29 36.555 1.987 0.832 0.889 0.964 0.571 CB 1.417 29 residues pruned to eliminate duplicates Z: 29 21.994 1.777 0.505 0.892 0.929 0.821 CA 1.203 29 residues pruned to eliminate duplicates Z: 25 31.778 2.026 0.660 0.955 1.000 1.000 CA 1.325 25 residues pruned to eliminate duplicates Z: 11 12.060 1.868 0.274 0.841 1.000 0.800 CB 1.195 11 residues pruned to eliminate duplicates Z: 24 25.779 1.967 0.769 0.892 0.957 0.870 CB 1.160 24 residues pruned to eliminate duplicates Z: 28 40.056 2.024 0.732 0.941 1.000 0.630 CA 1.526 28 residues pruned to eliminate duplicates Z: 13 6.259 1.496 0.551 0.350 0.917 0.500 CB 0.999 Z: 28 44.084 2.067 0.887 0.914 0.963 0.852 CA 1.598 28 residues pruned to eliminate duplicates Z: 15 20.376 1.857 0.796 0.878 0.929 0.786 CA 1.276 15 residues pruned to eliminate duplicates Z: 26 21.453 1.765 0.780 0.934 1.000 0.720 CB 0.952 27 residues pruned to eliminate duplicates Z: 28 36.565 2.012 0.615 0.929 1.000 0.852 CA 1.516 28 residues pruned to eliminate duplicates Z: 18 13.316 1.686 0.529 0.863 0.765 0.647 CB 1.201 18 residues pruned to eliminate duplicates Z: 26 21.282 1.767 0.758 0.918 1.000 0.480 CB 0.966 26 residues pruned to eliminate duplicates Z: 29 41.087 1.954 1.095 0.951 1.000 0.893 CB 1.307 28 residues pruned to eliminate duplicates Z: 29 36.888 2.019 0.838 0.899 0.964 0.786 CA 1.393 29 residues pruned to eliminate duplicates Z: 29 41.436 1.993 0.914 0.905 0.964 0.607 CB 1.516 29 residues pruned to eliminate duplicates Z: 26 40.135 2.009 1.059 0.957 0.960 0.640 CB 1.387 27 residues pruned to eliminate duplicates Z: 27 32.792 1.856 0.810 0.940 1.000 0.731 CA 1.329 27 residues pruned to eliminate duplicates Z: 28 35.965 1.916 1.033 0.928 0.963 0.593 CB 1.293 28 residues pruned to eliminate duplicates Z: 25 27.610 1.977 0.750 0.896 0.917 0.875 CA 1.273 25 residues pruned to eliminate duplicates Z: 21 17.550 1.806 0.565 0.860 0.950 0.600 CB 1.074 21 residues pruned to eliminate duplicates Z: 11 13.348 1.759 0.441 0.895 1.000 0.600 CA 1.194 11 residues pruned to eliminate duplicates Z: 56 42.734 1.971 0.845 0.731 0.945 0.527 CB 1.362 56 residues pruned to eliminate duplicates Z: 29 30.160 1.800 1.094 0.864 0.893 0.500 CB 1.242 28 residues pruned to eliminate duplicates Z: 14 5.617 1.543 0.503 0.323 0.846 0.538 CB 0.965 14 residues pruned to eliminate duplicates Z: 21 19.029 1.814 0.685 0.864 0.900 0.750 CB 1.134 21 residues pruned to eliminate duplicates Z: 30 27.773 1.787 0.823 0.826 0.931 0.552 CB 1.283 30 residues pruned to eliminate duplicates Z: 27 26.917 1.846 0.739 0.895 1.000 0.731 CB 1.179 27 residues pruned to eliminate duplicates Z: 27 23.892 1.828 0.568 0.883 1.000 0.846 CA 1.181 27 residues pruned to eliminate duplicates Z: 16 27.341 1.956 1.076 0.910 0.867 0.267 CB 1.424 19 residues pruned to eliminate duplicates Z: 51 38.236 1.932 0.871 0.713 0.900 0.560 CB 1.370 51 residues pruned to eliminate duplicates Z: 31 19.252 1.863 0.489 0.928 0.967 0.733 CB 0.918 31 residues pruned to eliminate duplicates Z: 26 30.271 1.965 0.501 0.949 1.000 0.920 CA 1.417 26 residues pruned to eliminate duplicates Z: 23 30.411 2.022 1.039 0.919 0.909 0.909 CB 1.218 23 residues pruned to eliminate duplicates Z: 26 38.442 2.005 0.924 0.950 0.960 0.720 CB 1.432 26 residues pruned to eliminate duplicates Z: 27 24.345 1.852 0.584 0.920 0.962 0.923 CA 1.192 27 residues pruned to eliminate duplicates Z: 22 24.729 2.027 0.462 0.936 0.952 0.952 CB 1.332 22 residues pruned to eliminate duplicates Z: 28 35.771 1.967 0.914 0.932 1.000 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 30 39.293 1.928 0.977 0.917 1.000 0.655 CB 1.351 31 residues pruned to eliminate duplicates Z: 21 18.298 1.797 0.436 0.933 1.000 0.850 CB 1.106 21 residues pruned to eliminate duplicates Z: 11 12.850 1.890 0.536 0.908 1.000 0.600 CB 0.994 11 residues pruned to eliminate duplicates Z: 25 21.313 1.796 0.736 0.918 1.000 0.708 CB 0.984 25 residues pruned to eliminate duplicates Z: 20 20.648 1.850 0.599 0.924 0.947 0.842 CB 1.187 20 residues pruned to eliminate duplicates Z: 30 42.403 1.979 1.134 0.893 0.966 0.483 CB 1.386 30 residues pruned to eliminate duplicates Z: 26 35.541 1.889 0.805 0.956 1.000 0.800 CB 1.431 28 residues pruned to eliminate duplicates Z: 28 35.508 1.927 0.825 0.946 0.963 0.704 CB 1.395 28 residues pruned to eliminate duplicates Z: 32 32.372 1.892 0.948 0.865 0.935 0.548 CB 1.236 32 residues pruned to eliminate duplicates Z: 26 34.268 1.965 0.815 0.947 0.960 0.920 CB 1.384 25 residues pruned to eliminate duplicates Z: 28 35.976 1.883 0.834 0.957 1.000 0.963 CA 1.376 28 residues pruned to eliminate duplicates 6 1.309 1.643 -0.155 0.366 0.400 0.400 CB 1.218 ? Z: 15 17.458 1.726 0.770 0.857 0.929 0.786 CB 1.212 15 residues pruned to eliminate duplicates Z: 10 11.194 1.886 0.183 0.880 1.000 0.556 CB 1.212 10 residues pruned to eliminate duplicates Z: 27 51.911 2.044 1.148 0.964 1.000 0.500 CB 1.584 27 residues pruned to eliminate duplicates Z: 34 20.998 1.828 0.681 0.690 0.909 0.667 CB 1.100 47 residues pruned to eliminate duplicates Z: 25 16.429 1.754 0.395 0.944 1.000 0.833 CB 0.949 25 residues pruned to eliminate duplicates Z: 26 30.804 1.969 0.606 0.942 1.000 0.920 CA 1.351 26 residues pruned to eliminate duplicates Z: 11 12.381 1.918 0.478 0.930 1.000 0.700 CB 0.966 11 residues pruned to eliminate duplicates Z: 26 18.070 1.770 0.512 0.922 1.000 0.800 CB 0.950 26 residues pruned to eliminate duplicates Z: 30 21.931 1.892 0.433 0.902 0.966 0.759 CB 1.110 30 residues pruned to eliminate duplicates Z: 27 32.754 2.002 0.744 0.938 1.000 0.885 CB 1.279 27 residues pruned to eliminate duplicates Z: 23 24.020 1.968 0.313 0.934 1.000 0.955 CB 1.383 23 residues pruned to eliminate duplicates Z: 29 33.767 1.952 0.750 0.914 1.000 0.643 CB 1.321 29 residues pruned to eliminate duplicates Z: 21 18.352 1.813 0.536 0.879 0.950 0.800 CB 1.125 21 residues pruned to eliminate duplicates Z: 40 33.266 1.985 0.704 0.726 0.974 0.846 CB 1.318 40 residues pruned to eliminate duplicates Z: 10 10.487 1.880 0.469 0.848 0.889 0.444 CB 1.056 10 residues pruned to eliminate duplicates Z: 27 20.346 1.681 0.732 0.930 1.000 0.654 CB 0.958 26 residues pruned to eliminate duplicates Z: 11 15.302 1.933 0.699 0.796 0.900 0.800 CA 1.264 11 residues pruned to eliminate duplicates Z: 29 29.976 1.919 0.794 0.850 0.929 0.500 CB 1.313 29 residues pruned to eliminate duplicates Z: 26 32.361 1.895 0.717 0.939 1.000 0.880 CA 1.382 29 residues pruned to eliminate duplicates Z: 28 28.350 1.816 0.651 0.928 0.963 0.852 CA 1.323 28 residues pruned to eliminate duplicates Z: 11 16.342 1.926 0.829 0.786 0.900 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 29 38.630 1.944 0.967 0.912 0.964 0.571 CA 1.402 29 residues pruned to eliminate duplicates Z: 40 31.722 1.946 0.451 0.831 0.974 0.795 CB 1.387 40 residues pruned to eliminate duplicates Z: 38 32.584 1.976 0.600 0.877 0.946 0.865 CB 1.301 38 residues pruned to eliminate duplicates Z: 27 23.566 1.858 0.825 0.887 0.885 0.538 CB 1.111 26 residues pruned to eliminate duplicates Z: 26 31.850 1.907 0.905 0.946 0.960 0.560 CB 1.264 26 residues pruned to eliminate duplicates Z: 6 4.885 1.400 0.651 0.647 0.800 0.400 CB 1.030 Z: 27 31.257 1.838 1.002 0.939 0.923 0.385 CB 1.255 27 residues pruned to eliminate duplicates Z: 26 23.412 1.928 0.711 0.804 0.840 0.600 CB 1.295 24 residues pruned to eliminate duplicates Z: 28 33.174 1.842 0.870 0.904 0.963 0.704 CA 1.371 28 residues pruned to eliminate duplicates Z: 27 39.779 1.969 1.066 0.954 0.962 0.577 CB 1.372 26 residues pruned to eliminate duplicates Z: 28 38.566 1.900 0.975 0.938 1.000 0.593 CB 1.375 28 residues pruned to eliminate duplicates Z: 21 22.105 1.747 0.847 0.941 1.000 0.800 CB 1.063 20 residues pruned to eliminate duplicates Z: 27 35.228 1.964 0.718 0.946 0.962 0.808 CB 1.472 27 residues pruned to eliminate duplicates Z: 8 4.951 1.421 0.368 0.818 1.000 0.857 CB 0.730 Z: 26 19.757 1.767 0.680 0.926 0.960 0.800 CB 0.972 26 residues pruned to eliminate duplicates Z: 25 18.423 1.738 0.703 0.957 1.000 0.583 CB 0.872 25 residues pruned to eliminate duplicates Z: 37 33.193 1.959 0.915 0.882 0.917 0.306 CB 1.164 37 residues pruned to eliminate duplicates Z: 27 15.872 1.681 0.400 0.906 0.962 0.731 CB 0.978 27 residues pruned to eliminate duplicates Z: 10 12.172 1.918 0.572 0.815 0.889 0.556 CA 1.151 10 residues pruned to eliminate duplicates Z: 29 39.838 2.011 1.004 0.904 1.000 0.714 CB 1.331 29 residues pruned to eliminate duplicates Z: 27 33.036 1.831 0.970 0.899 0.962 0.615 CA 1.335 25 residues pruned to eliminate duplicates Z: 26 14.837 1.923 0.159 0.896 0.880 0.760 CB 1.084 26 residues pruned to eliminate duplicates Z: 14 10.270 1.871 0.620 0.934 0.923 0.846 CB 0.710 14 residues pruned to eliminate duplicates Z: 11 5.443 1.599 0.377 0.398 0.900 0.600 CB 0.967 11 residues pruned to eliminate duplicates Z: 27 30.619 1.844 0.676 0.930 1.000 0.769 CB 1.358 26 residues pruned to eliminate duplicates Z: 20 20.617 1.800 0.860 0.863 0.842 0.632 CB 1.232 20 residues pruned to eliminate duplicates Z: 20 18.190 1.791 0.390 0.915 1.000 0.842 CB 1.185 20 residues pruned to eliminate duplicates Z: 28 40.529 2.023 0.939 0.930 0.963 0.556 CB 1.444 28 residues pruned to eliminate duplicates Z: 28 47.236 2.040 0.971 0.941 1.000 0.704 CB 1.569 28 residues pruned to eliminate duplicates Z: 27 16.100 1.823 0.050 0.929 0.962 0.885 CB 1.200 27 residues pruned to eliminate duplicates Z: 29 48.273 2.030 0.977 0.957 1.000 0.679 CB 1.561 29 residues pruned to eliminate duplicates Z: 18 19.630 1.917 0.674 0.902 0.941 0.706 CB 1.124 18 residues pruned to eliminate duplicates Z: 29 20.601 1.903 0.315 0.931 0.964 0.893 CB 1.128 29 residues pruned to eliminate duplicates Z: 78 57.744 1.965 1.006 0.784 0.961 0.584 CB 1.353 78 residues pruned to eliminate duplicates Z: 22 29.420 2.007 0.760 0.950 1.000 0.952 CB 1.254 22 residues pruned to eliminate duplicates Z: 20 24.745 1.933 1.079 0.741 0.842 0.316 CB 1.352 20 residues pruned to eliminate duplicates Z: 28 29.338 1.838 0.619 0.922 0.963 0.704 CB 1.386 28 residues pruned to eliminate duplicates Z: 29 27.538 1.739 1.028 0.886 0.893 0.464 CB 1.192 29 residues pruned to eliminate duplicates Z: 15 25.002 1.979 0.736 0.881 1.000 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 6 2.005 1.525 0.056 0.479 1.000 0.800 CB 0.569 Z: 17 20.745 1.857 0.766 0.910 1.000 0.875 CB 1.121 17 residues pruned to eliminate duplicates Z: 31 31.177 1.915 0.701 0.924 0.967 0.867 CA 1.270 31 residues pruned to eliminate duplicates Z: 29 32.773 1.992 0.568 0.897 1.000 0.929 CB 1.419 29 residues pruned to eliminate duplicates Z: 20 22.419 1.832 0.646 0.941 1.000 0.947 CB 1.184 21 residues pruned to eliminate duplicates Z: 26 40.660 1.979 0.999 0.938 1.000 0.640 CB 1.429 26 residues pruned to eliminate duplicates Z: 29 40.348 1.996 1.009 0.887 0.964 0.714 CB 1.421 29 residues pruned to eliminate duplicates Z: 27 28.601 1.854 0.724 0.924 0.962 0.885 CA 1.281 27 residues pruned to eliminate duplicates Z: 15 10.083 1.775 0.543 0.735 0.929 0.786 CB 0.858 14 residues pruned to eliminate duplicates Z: 27 20.690 1.885 0.654 0.896 0.962 0.462 CB 0.970 27 residues pruned to eliminate duplicates Z: 23 22.006 1.937 0.418 0.935 0.955 0.955 CA 1.247 23 residues pruned to eliminate duplicates Z: 27 34.329 1.850 1.137 0.927 0.962 0.654 CB 1.241 27 residues pruned to eliminate duplicates Z: 10 13.880 1.890 0.429 0.928 1.000 0.778 CB 1.199 10 residues pruned to eliminate duplicates Z: 29 19.895 1.935 0.359 0.932 0.929 0.821 CB 1.076 29 residues pruned to eliminate duplicates Z: 26 43.239 2.013 1.053 0.953 1.000 0.720 CB 1.440 26 residues pruned to eliminate duplicates Z: 23 32.531 1.992 0.906 0.922 1.000 0.909 CB 1.285 21 residues pruned to eliminate duplicates Z: 25 32.568 1.888 1.037 0.949 0.958 0.750 CB 1.245 26 residues pruned to eliminate duplicates Z: 29 41.293 1.993 0.978 0.902 0.964 0.250 CB 1.465 29 residues pruned to eliminate duplicates Z: 26 38.780 2.018 1.045 0.956 1.000 0.360 CB 1.290 26 residues pruned to eliminate duplicates Z: 26 15.591 1.757 0.262 0.934 1.000 0.680 CB 0.981 26 residues pruned to eliminate duplicates Z: 25 19.825 1.787 0.765 0.934 0.917 0.667 CB 0.976 25 residues pruned to eliminate duplicates Z: 19 20.013 1.847 0.756 0.897 1.000 0.333 CB 1.041 19 residues pruned to eliminate duplicates Z: 7 4.543 1.422 0.054 0.906 1.000 1.000 CB 0.880 7 residues pruned to eliminate duplicates Z: 24 21.285 1.918 0.403 0.898 0.913 0.783 CB 1.292 24 residues pruned to eliminate duplicates Z: 12 21.429 2.034 0.452 0.929 1.000 1.000 CB 1.531 12 residues pruned to eliminate duplicates Z: 56 41.627 1.978 0.789 0.727 0.945 0.545 CB 1.366 56 residues pruned to eliminate duplicates Z: 27 20.775 1.722 0.792 0.944 0.962 0.577 CB 0.951 27 residues pruned to eliminate duplicates Z: 20 21.060 1.811 0.694 0.902 1.000 0.842 CB 1.123 20 residues pruned to eliminate duplicates Z: 20 28.562 1.978 0.702 0.931 1.000 0.895 CB 1.361 20 residues pruned to eliminate duplicates Z: 65 42.901 1.969 0.542 0.764 0.984 0.797 CB 1.420 65 residues pruned to eliminate duplicates Z: 19 13.843 1.831 0.485 0.667 0.889 0.667 CB 1.157 19 residues pruned to eliminate duplicates Z: 28 41.056 2.010 0.966 0.924 0.963 0.222 CB 1.458 28 residues pruned to eliminate duplicates Z: 37 40.521 1.978 0.913 0.873 0.972 0.639 CB 1.337 37 residues pruned to eliminate duplicates Z: 20 20.520 1.833 0.476 0.921 1.000 0.842 CB 1.224 22 residues pruned to eliminate duplicates Z: 27 24.054 1.888 0.535 0.910 0.923 0.731 CA 1.250 27 residues pruned to eliminate duplicates Z: 30 22.076 1.825 0.574 0.896 0.931 0.690 CB 1.098 30 residues pruned to eliminate duplicates Z: 27 29.561 1.858 0.761 0.899 0.962 0.500 CA 1.317 27 residues pruned to eliminate duplicates Z: 26 15.519 1.725 0.339 0.946 1.000 0.760 CB 0.929 26 residues pruned to eliminate duplicates Z: 28 29.800 1.914 0.908 0.876 0.926 0.444 CB 1.233 28 residues pruned to eliminate duplicates Z: 21 22.375 1.773 0.913 0.936 1.000 0.900 CB 1.027 20 residues pruned to eliminate duplicates Z: 9 7.942 1.442 1.077 0.897 1.000 0.750 CB 0.671 6 residues pruned to eliminate duplicates Z: 10 17.196 1.938 0.707 0.855 1.000 0.778 CA 1.279 10 residues pruned to eliminate duplicates Z: 17 16.900 1.842 0.398 0.840 1.000 0.812 CB 1.225 17 residues pruned to eliminate duplicates Z: 26 33.136 1.852 1.004 0.942 0.960 0.280 CB 1.290 29 residues pruned to eliminate duplicates Z: 17 17.148 1.869 0.647 0.907 0.938 0.750 CB 1.056 17 residues pruned to eliminate duplicates Z: 29 20.495 1.856 0.460 0.908 0.964 0.857 CB 1.053 29 residues pruned to eliminate duplicates Z: 24 29.109 1.917 0.528 0.936 1.000 0.913 CA 1.443 24 residues pruned to eliminate duplicates Z: 28 34.052 1.854 0.904 0.924 0.963 0.630 CB 1.354 28 residues pruned to eliminate duplicates Z: 29 24.858 1.906 0.783 0.932 0.929 0.500 CB 1.040 29 residues pruned to eliminate duplicates Z: 25 30.639 1.964 0.690 0.956 1.000 0.917 CB 1.294 25 residues pruned to eliminate duplicates Z: 29 46.536 2.006 1.092 0.947 0.964 0.464 CB 1.502 29 residues pruned to eliminate duplicates Z: 24 13.415 1.791 0.471 0.618 0.826 0.696 CB 1.149 21 residues pruned to eliminate duplicates Z: 25 25.139 1.941 0.528 0.921 0.958 0.917 CA 1.271 25 residues pruned to eliminate duplicates Z: 20 28.848 1.836 1.010 0.937 0.947 0.842 CB 1.317 21 residues pruned to eliminate duplicates Z: 28 30.001 1.795 0.892 0.907 0.963 0.556 CB 1.255 28 residues pruned to eliminate duplicates Z: 23 12.443 1.762 0.369 0.616 0.955 0.591 CB 1.032 23 residues pruned to eliminate duplicates Z: 40 25.426 1.828 0.591 0.802 0.897 0.795 CB 1.198 40 residues pruned to eliminate duplicates Z: 14 13.471 1.900 0.565 0.797 0.769 0.462 CB 1.259 14 residues pruned to eliminate duplicates Z: 19 21.451 1.805 0.981 0.874 0.944 0.611 CB 1.090 19 residues pruned to eliminate duplicates Z: 33 37.555 2.043 0.946 0.751 0.938 0.625 CB 1.424 32 residues pruned to eliminate duplicates Z: 14 15.039 1.797 0.798 0.857 0.769 0.462 CB 1.237 14 residues pruned to eliminate duplicates Z: 20 19.032 1.805 0.664 0.859 0.895 0.632 CB 1.195 20 residues pruned to eliminate duplicates Z: 6 9.486 1.645 0.555 0.843 1.000 1.000 CA 1.235 6 residues pruned to eliminate duplicates Z: 29 18.085 1.882 0.236 0.907 0.929 0.750 CB 1.124 29 residues pruned to eliminate duplicates Z: 8 10.687 1.681 0.468 0.804 1.000 0.571 CA 1.256 8 residues pruned to eliminate duplicates Z: 56 39.621 1.939 0.895 0.725 0.964 0.564 CB 1.232 56 residues pruned to eliminate duplicates 6 1.447 1.360 0.418 0.100 0.600 0.400 CA 0.933 ? Z: 12 5.552 1.587 0.462 0.362 0.818 0.545 CB 1.023 Z: 47 26.025 1.728 0.713 0.780 0.957 0.761 CB 1.059 47 residues pruned to eliminate duplicates Z: 36 33.489 1.984 0.562 0.851 1.000 0.829 CB 1.353 36 residues pruned to eliminate duplicates Z: 6 4.642 1.718 0.590 0.130 1.000 0.400 CA 1.207 6 residues pruned to eliminate duplicates Z: 30 19.737 1.876 0.285 0.939 0.966 0.690 CB 1.095 30 residues pruned to eliminate duplicates Z: 24 16.784 1.782 0.425 0.930 0.957 0.696 CB 1.008 24 residues pruned to eliminate duplicates Z: 49 25.541 1.719 0.689 0.840 0.958 0.646 CB 0.988 48 residues pruned to eliminate duplicates Z: 18 22.397 1.713 0.833 0.892 0.941 0.706 CB 1.321 18 residues pruned to eliminate duplicates Z: 9 6.309 1.436 0.626 0.813 1.000 0.625 CB 0.728 9 residues pruned to eliminate duplicates Z: 8 6.104 1.274 1.052 0.521 0.857 0.429 N 1.009 8 residues pruned to eliminate duplicates Z: 58 36.623 1.903 0.806 0.676 0.877 0.456 CB 1.369 58 residues pruned to eliminate duplicates Z: 26 25.418 1.897 0.565 0.950 0.920 0.880 CA 1.283 26 residues pruned to eliminate duplicates Z: 37 30.358 1.960 0.477 0.802 0.972 0.833 CB 1.380 36 residues pruned to eliminate duplicates Z: 26 11.776 1.638 0.266 0.894 0.960 0.840 CB 0.849 26 residues pruned to eliminate duplicates Z: 20 26.759 1.824 0.873 0.944 0.947 0.632 CA 1.313 20 residues pruned to eliminate duplicates Z: 25 18.203 1.761 0.556 0.949 1.000 0.875 CB 0.936 25 residues pruned to eliminate duplicates Z: 19 20.122 1.764 1.033 0.924 0.944 0.556 CB 0.983 20 residues pruned to eliminate duplicates Z: 25 12.699 1.731 0.090 0.919 1.000 0.833 CB 0.968 25 residues pruned to eliminate duplicates Z: 18 18.573 1.909 0.696 0.844 0.941 0.529 CB 1.100 18 residues pruned to eliminate duplicates Z: 37 42.711 2.016 1.076 0.743 0.972 0.417 CB 1.408 37 residues pruned to eliminate duplicates Z: 28 40.441 1.901 1.058 0.952 1.000 0.852 CB 1.370 28 residues pruned to eliminate duplicates Z: 29 36.206 1.867 1.019 0.925 0.929 0.500 CB 1.371 29 residues pruned to eliminate duplicates Z: 29 40.470 1.966 0.919 0.935 1.000 0.643 CB 1.413 29 residues pruned to eliminate duplicates 6 1.652 1.209 0.198 0.423 0.800 0.400 CB 0.691 ? Z: 23 35.466 2.032 0.891 0.929 1.000 0.727 CA 1.377 23 residues pruned to eliminate duplicates Z: 7 4.329 1.213 1.323 0.472 0.833 0.667 CB 0.774 335 residues left after pruning, divided into chains as follows: A: 14 B: 9 C: 99 D: 27 E: 54 F: 7 G: 52 H: 47 I: 26 CC for partial structure against native data = 44.78 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.334, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.383, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.458, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.463, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.472, Connect. = 0.763 for dens.mod. cycle 5 = 0.300, Contrast = 0.476, Connect. = 0.764 for dens.mod. cycle 6 = 0.300, Contrast = 0.482, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.484, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.488, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.490, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1622 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 385 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 41.369 2.093 0.847 0.934 1.000 0.630 CB 1.436 B: 30 31.409 1.959 0.518 0.923 1.000 0.862 CA 1.379 30 residues pruned to eliminate duplicates C: 28 35.249 1.970 0.632 0.963 1.000 0.704 CB 1.442 D: 25 34.951 2.131 0.586 0.956 0.958 0.958 CB 1.512 25 residues pruned to eliminate duplicates E: 24 31.113 2.021 0.733 0.891 1.000 0.826 CB 1.332 F: 26 36.174 2.116 0.852 0.936 0.920 0.560 CB 1.397 26 residues pruned to eliminate duplicates G: 29 28.941 2.004 0.630 0.910 0.929 0.643 CB 1.278 H: 28 33.599 2.057 0.539 0.920 1.000 0.815 CB 1.439 28 residues pruned to eliminate duplicates I: 28 29.746 2.037 0.464 0.916 0.963 0.889 CB 1.408 28 residues pruned to eliminate duplicates J: 29 40.575 2.132 0.613 0.933 1.000 0.929 CA 1.556 K: 29 23.984 1.956 0.223 0.903 0.964 0.857 CA 1.400 L: 27 31.139 2.078 0.490 0.923 0.962 0.769 CB 1.441 27 residues pruned to eliminate duplicates M: 26 24.808 1.971 0.627 0.918 0.880 0.680 CB 1.240 26 residues pruned to eliminate duplicates N: 26 35.793 2.076 0.546 0.960 1.000 0.960 CA 1.528 29 residues pruned to eliminate duplicates O: 29 53.851 2.125 1.028 0.938 1.000 0.607 CA 1.643 29 residues pruned to eliminate duplicates P: 30 36.248 1.967 0.930 0.856 0.966 0.414 CB 1.355 Q: 29 46.401 2.137 1.022 0.919 0.893 0.286 CB 1.602 29 residues pruned to eliminate duplicates R: 26 37.607 2.066 0.683 0.934 1.000 0.880 CA 1.508 26 residues pruned to eliminate duplicates S: 29 49.422 2.111 0.907 0.918 1.000 0.500 CA 1.637 29 residues pruned to eliminate duplicates T: 28 49.339 2.138 0.860 0.941 1.000 0.556 CB 1.657 28 residues pruned to eliminate duplicates U: 22 27.100 2.104 0.488 0.952 0.952 0.905 CB 1.366 22 residues pruned to eliminate duplicates V: 29 53.507 2.162 0.939 0.943 1.000 0.607 CA 1.672 29 residues pruned to eliminate duplicates W: 28 34.469 2.080 0.652 0.897 0.926 0.778 CA 1.492 28 residues pruned to eliminate duplicates X: 37 32.127 1.966 0.511 0.874 0.917 0.778 CB 1.432 27 residues pruned to eliminate duplicates Y: 23 27.520 2.027 0.540 0.931 1.000 0.818 CB 1.314 23 residues pruned to eliminate duplicates Z: 31 34.724 2.007 0.598 0.910 0.967 0.833 CA 1.450 31 residues pruned to eliminate duplicates Z: 28 32.894 1.863 0.703 0.921 1.000 0.704 CA 1.404 Z: 10 7.847 1.868 0.290 0.465 0.889 0.778 CA 1.265 Z: 8 15.645 1.783 0.757 0.875 1.000 0.571 N 1.373 8 residues pruned to eliminate duplicates Z: 29 29.948 2.010 0.402 0.911 1.000 0.857 CA 1.423 29 residues pruned to eliminate duplicates Z: 28 26.818 2.044 0.224 0.942 1.000 0.963 CA 1.430 28 residues pruned to eliminate duplicates Z: 15 25.607 2.099 0.506 0.905 1.000 0.929 CA 1.542 15 residues pruned to eliminate duplicates Z: 40 32.755 2.023 0.371 0.860 0.923 0.744 CA 1.506 36 residues pruned to eliminate duplicates Z: 31 31.045 2.028 0.356 0.927 1.000 0.867 CA 1.444 30 residues pruned to eliminate duplicates Z: 11 14.973 2.027 0.421 0.844 1.000 0.800 CA 1.223 Z: 28 37.260 2.042 0.801 0.932 0.963 0.556 CB 1.413 30 residues pruned to eliminate duplicates Z: 30 40.652 2.100 0.612 0.943 1.000 0.862 CA 1.545 30 residues pruned to eliminate duplicates Z: 30 31.259 1.967 0.911 0.893 0.966 0.586 CB 1.148 29 residues pruned to eliminate duplicates Z: 28 33.268 1.911 0.652 0.939 1.000 0.852 CB 1.410 28 residues pruned to eliminate duplicates Z: 22 36.426 2.130 0.983 0.943 1.000 0.810 CB 1.304 23 residues pruned to eliminate duplicates Z: 18 38.868 2.037 1.125 0.900 1.000 0.471 CA 1.555 18 residues pruned to eliminate duplicates Z: 20 16.789 1.766 0.541 0.860 0.947 0.632 CB 1.098 Z: 29 36.161 2.035 0.630 0.894 1.000 0.821 CB 1.478 28 residues pruned to eliminate duplicates Z: 29 47.990 2.140 0.884 0.937 1.000 0.679 CA 1.566 29 residues pruned to eliminate duplicates Z: 39 36.422 1.970 0.716 0.840 0.921 0.658 CB 1.417 38 residues pruned to eliminate duplicates Z: 30 29.674 1.974 0.670 0.886 0.966 0.724 CB 1.248 30 residues pruned to eliminate duplicates Z: 27 37.591 2.019 0.932 0.949 0.962 0.538 CB 1.356 27 residues pruned to eliminate duplicates Z: 18 23.072 1.887 0.775 0.911 1.000 0.647 CB 1.184 20 residues pruned to eliminate duplicates Z: 15 11.959 1.809 0.690 0.663 0.929 0.643 CB 0.967 Z: 28 34.667 2.099 0.498 0.940 1.000 0.815 CA 1.473 28 residues pruned to eliminate duplicates Z: 37 34.341 1.996 0.517 0.827 0.972 0.806 CA 1.464 38 residues pruned to eliminate duplicates Z: 102 62.589 2.030 0.813 0.745 0.980 0.485 CB 1.387 93 residues pruned to eliminate duplicates Z: 29 40.763 2.136 0.564 0.924 1.000 0.893 CA 1.620 29 residues pruned to eliminate duplicates Z: 18 22.669 1.911 0.686 0.917 1.000 0.588 CB 1.204 18 residues pruned to eliminate duplicates Z: 21 34.262 2.146 0.837 0.948 0.950 0.850 CB 1.413 21 residues pruned to eliminate duplicates Z: 22 42.533 2.113 1.149 0.951 1.000 0.857 CB 1.409 23 residues pruned to eliminate duplicates Z: 25 29.409 1.937 0.530 0.927 1.000 0.833 CA 1.419 25 residues pruned to eliminate duplicates Z: 22 37.468 2.131 0.957 0.944 0.952 0.762 CB 1.425 22 residues pruned to eliminate duplicates Z: 31 41.567 1.989 0.972 0.843 1.000 0.433 CB 1.440 31 residues pruned to eliminate duplicates Z: 29 27.727 2.001 0.355 0.898 0.964 0.857 CA 1.434 29 residues pruned to eliminate duplicates Z: 20 13.079 1.800 0.179 0.890 0.947 0.842 CB 1.074 Z: 23 27.895 2.055 0.471 0.939 0.955 0.909 CA 1.432 23 residues pruned to eliminate duplicates Z: 30 30.418 1.988 0.511 0.869 0.966 0.828 CA 1.423 30 residues pruned to eliminate duplicates Z: 29 32.793 2.052 0.472 0.951 1.000 0.929 CB 1.413 29 residues pruned to eliminate duplicates Z: 28 27.850 1.855 0.533 0.894 0.963 0.704 CA 1.403 28 residues pruned to eliminate duplicates Z: 28 24.147 1.870 0.267 0.959 1.000 0.926 CA 1.344 28 residues pruned to eliminate duplicates Z: 9 11.354 2.055 0.230 0.901 1.000 0.500 CB 1.134 9 residues pruned to eliminate duplicates Z: 28 42.269 2.080 0.908 0.952 1.000 0.630 CB 1.412 28 residues pruned to eliminate duplicates Z: 10 19.952 2.271 0.375 0.902 1.000 1.000 CA 1.520 10 residues pruned to eliminate duplicates Z: 29 34.498 1.998 0.851 0.890 0.893 0.321 CB 1.421 29 residues pruned to eliminate duplicates Z: 27 31.622 1.955 0.978 0.892 0.923 0.423 CB 1.248 27 residues pruned to eliminate duplicates Z: 22 26.622 2.107 0.527 0.919 0.952 0.905 CB 1.336 22 residues pruned to eliminate duplicates Z: 28 36.903 1.921 0.877 0.947 1.000 0.407 CB 1.361 28 residues pruned to eliminate duplicates Z: 29 27.233 1.840 0.812 0.905 0.893 0.464 CB 1.230 29 residues pruned to eliminate duplicates Z: 25 28.569 1.992 0.490 0.942 1.000 0.875 CA 1.363 25 residues pruned to eliminate duplicates Z: 18 23.940 1.890 0.906 0.898 1.000 0.471 CB 1.153 18 residues pruned to eliminate duplicates Z: 25 34.014 2.113 0.745 0.916 0.958 0.458 CB 1.388 25 residues pruned to eliminate duplicates Z: 26 44.246 2.067 1.019 0.949 1.000 0.400 CB 1.463 26 residues pruned to eliminate duplicates Z: 29 37.124 1.963 0.801 0.883 1.000 0.679 CA 1.435 29 residues pruned to eliminate duplicates Z: 24 38.126 2.055 0.806 0.902 0.957 0.565 CA 1.597 24 residues pruned to eliminate duplicates Z: 28 27.886 1.997 0.691 0.921 0.926 0.630 CB 1.207 28 residues pruned to eliminate duplicates Z: 26 32.453 1.889 0.869 0.889 0.960 0.560 CB 1.378 26 residues pruned to eliminate duplicates Z: 95 55.704 2.065 0.750 0.687 0.894 0.426 CB 1.499 95 residues pruned to eliminate duplicates Z: 27 33.485 1.948 0.610 0.929 1.000 0.846 CA 1.465 28 residues pruned to eliminate duplicates Z: 25 28.364 2.018 0.673 0.933 0.875 0.500 CB 1.368 25 residues pruned to eliminate duplicates Z: 29 27.139 1.999 0.617 0.912 0.893 0.571 CB 1.259 29 residues pruned to eliminate duplicates Z: 100 64.552 2.058 0.772 0.732 0.980 0.545 CB 1.474 100 residues pruned to eliminate duplicates Z: 28 42.835 2.074 0.986 0.931 0.889 0.259 CA 1.573 28 residues pruned to eliminate duplicates Z: 10 19.312 1.821 0.586 0.905 1.000 0.556 CA 1.587 10 residues pruned to eliminate duplicates Z: 11 14.645 1.917 0.228 0.891 1.000 0.900 CB 1.414 11 residues pruned to eliminate duplicates Z: 28 32.971 1.969 0.555 0.950 1.000 0.926 CA 1.429 28 residues pruned to eliminate duplicates Z: 22 42.013 2.083 0.939 0.961 1.000 0.476 CB 1.554 22 residues pruned to eliminate duplicates Z: 21 34.727 2.143 0.821 0.944 0.950 0.950 CB 1.451 21 residues pruned to eliminate duplicates Z: 29 24.993 1.938 0.472 0.887 1.000 0.679 CB 1.194 29 residues pruned to eliminate duplicates Z: 10 18.379 2.026 0.574 0.901 1.000 0.889 CA 1.371 10 residues pruned to eliminate duplicates Z: 29 29.312 1.993 0.687 0.932 0.929 0.679 CB 1.239 29 residues pruned to eliminate duplicates Z: 25 33.983 2.041 0.624 0.931 1.000 0.875 CA 1.463 25 residues pruned to eliminate duplicates Z: 23 34.027 2.047 0.987 0.938 0.955 0.682 CB 1.299 23 residues pruned to eliminate duplicates Z: 26 30.936 1.921 0.685 0.918 0.960 0.560 CB 1.404 26 residues pruned to eliminate duplicates Z: 29 35.923 2.034 0.671 0.933 1.000 0.536 CB 1.394 29 residues pruned to eliminate duplicates Z: 28 30.759 2.039 0.393 0.943 1.000 0.926 CA 1.444 27 residues pruned to eliminate duplicates Z: 29 43.201 2.136 0.692 0.947 1.000 0.714 CA 1.561 29 residues pruned to eliminate duplicates Z: 28 40.266 1.987 0.807 0.961 1.000 0.889 CA 1.477 28 residues pruned to eliminate duplicates Z: 26 33.561 1.991 0.790 0.932 0.960 0.600 CB 1.370 26 residues pruned to eliminate duplicates Z: 18 21.229 1.861 0.877 0.873 1.000 0.824 CB 1.074 18 residues pruned to eliminate duplicates Z: 30 43.602 2.058 0.772 0.911 1.000 0.586 CA 1.574 30 residues pruned to eliminate duplicates Z: 21 40.861 2.147 1.054 0.958 1.000 0.900 CB 1.421 21 residues pruned to eliminate duplicates Z: 27 31.263 2.045 0.444 0.939 1.000 0.885 CA 1.443 27 residues pruned to eliminate duplicates Z: 29 40.958 2.050 0.917 0.887 0.964 0.607 CB 1.473 29 residues pruned to eliminate duplicates Z: 27 35.929 1.994 0.688 0.932 1.000 0.923 CB 1.461 27 residues pruned to eliminate duplicates Z: 21 37.100 2.153 0.851 0.949 1.000 1.000 CB 1.436 21 residues pruned to eliminate duplicates Z: 29 38.192 2.031 0.775 0.906 0.964 0.714 CB 1.477 29 residues pruned to eliminate duplicates Z: 24 27.069 2.052 0.356 0.926 1.000 0.913 CA 1.423 24 residues pruned to eliminate duplicates Z: 27 36.896 2.064 0.809 0.935 0.962 0.577 CB 1.405 27 residues pruned to eliminate duplicates Z: 29 54.941 2.156 1.024 0.949 1.000 0.571 CB 1.642 29 residues pruned to eliminate duplicates Z: 23 31.955 2.061 0.720 0.890 1.000 0.909 CB 1.383 23 residues pruned to eliminate duplicates Z: 11 16.727 2.008 0.589 0.823 1.000 0.800 CA 1.253 14 residues pruned to eliminate duplicates Z: 30 25.244 1.939 0.446 0.886 0.966 0.690 CB 1.250 30 residues pruned to eliminate duplicates Z: 11 15.869 2.034 0.555 0.853 1.000 0.500 CB 1.173 11 residues pruned to eliminate duplicates Z: 7 4.432 1.762 0.217 0.288 0.833 0.667 CB 1.286 Z: 29 47.315 2.133 0.798 0.943 1.000 0.750 CA 1.616 29 residues pruned to eliminate duplicates Z: 18 12.482 1.793 0.279 0.895 0.941 0.882 CB 1.006 18 residues pruned to eliminate duplicates Z: 30 44.517 2.064 0.786 0.911 1.000 0.655 CB 1.589 30 residues pruned to eliminate duplicates Z: 29 33.971 2.056 0.527 0.940 1.000 0.857 CA 1.420 29 residues pruned to eliminate duplicates Z: 28 27.714 1.854 0.431 0.933 1.000 0.889 CA 1.403 28 residues pruned to eliminate duplicates Z: 23 44.673 2.092 1.024 0.954 1.000 0.409 CA 1.547 23 residues pruned to eliminate duplicates Z: 25 27.580 1.941 0.658 0.865 0.917 0.500 CB 1.398 25 residues pruned to eliminate duplicates Z: 187 72.101 2.028 0.519 0.753 0.952 0.742 CB 1.440 193 residues pruned to eliminate duplicates Z: 29 56.429 2.148 1.102 0.945 1.000 0.643 CA 1.635 29 residues pruned to eliminate duplicates Z: 28 37.967 2.062 0.765 0.930 1.000 0.704 CB 1.404 28 residues pruned to eliminate duplicates Z: 30 35.895 1.938 0.759 0.872 1.000 0.586 CA 1.425 30 residues pruned to eliminate duplicates Z: 11 17.314 2.017 0.506 0.846 1.000 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 31 30.975 1.985 0.492 0.872 0.967 0.800 CA 1.440 31 residues pruned to eliminate duplicates Z: 58 43.204 2.052 0.778 0.716 0.930 0.351 CB 1.388 58 residues pruned to eliminate duplicates Z: 17 7.803 1.768 0.461 0.555 0.938 0.688 CB 0.764 17 residues pruned to eliminate duplicates Z: 30 33.744 1.959 0.882 0.896 0.966 0.655 CB 1.261 30 residues pruned to eliminate duplicates Z: 26 40.890 1.998 0.967 0.947 0.960 0.720 CB 1.497 26 residues pruned to eliminate duplicates Z: 19 18.979 1.877 0.410 0.927 1.000 0.889 CB 1.184 19 residues pruned to eliminate duplicates Z: 12 16.033 1.788 0.475 0.835 1.000 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 30 34.039 2.008 0.514 0.939 1.000 0.897 CA 1.445 30 residues pruned to eliminate duplicates Z: 22 30.430 2.103 0.610 0.855 0.952 0.667 CA 1.520 22 residues pruned to eliminate duplicates Z: 13 13.647 1.748 0.752 0.849 1.000 0.667 CB 0.953 13 residues pruned to eliminate duplicates Z: 23 29.056 1.954 0.656 0.914 0.955 0.773 CA 1.419 23 residues pruned to eliminate duplicates Z: 18 23.720 1.865 0.996 0.930 1.000 0.765 CB 1.080 18 residues pruned to eliminate duplicates Z: 16 15.917 1.849 0.433 0.937 1.000 0.867 CB 1.079 16 residues pruned to eliminate duplicates Z: 19 27.553 1.935 0.860 0.931 0.944 0.556 CB 1.335 19 residues pruned to eliminate duplicates Z: 21 23.858 2.101 0.234 0.933 1.000 1.000 CA 1.437 21 residues pruned to eliminate duplicates Z: 8 9.975 2.053 0.677 0.291 0.857 0.857 CA 1.615 8 residues pruned to eliminate duplicates Z: 27 31.736 1.870 0.657 0.914 1.000 0.615 CA 1.421 27 residues pruned to eliminate duplicates Z: 20 16.915 1.811 0.589 0.887 0.947 0.526 CB 1.026 20 residues pruned to eliminate duplicates Z: 25 29.581 1.980 0.965 0.877 0.958 0.458 CB 1.177 25 residues pruned to eliminate duplicates Z: 18 22.027 1.906 0.645 0.936 1.000 0.882 CB 1.186 18 residues pruned to eliminate duplicates Z: 29 35.223 1.979 0.824 0.873 0.964 0.643 CB 1.393 29 residues pruned to eliminate duplicates Z: 11 16.063 1.863 0.216 0.912 1.000 0.900 CB 1.587 11 residues pruned to eliminate duplicates Z: 14 7.538 1.607 0.433 0.778 0.846 0.615 CB 0.839 14 residues pruned to eliminate duplicates Z: 22 25.376 1.932 0.893 0.932 0.810 0.286 CB 1.307 22 residues pruned to eliminate duplicates Z: 22 32.725 2.110 0.734 0.913 1.000 0.857 CA 1.381 22 residues pruned to eliminate duplicates Z: 11 16.176 1.818 0.400 0.929 1.000 0.700 CB 1.407 11 residues pruned to eliminate duplicates Z: 26 40.369 2.084 0.970 0.909 0.960 0.560 CB 1.454 26 residues pruned to eliminate duplicates Z: 24 39.260 2.089 0.813 0.954 1.000 0.478 CB 1.486 24 residues pruned to eliminate duplicates Z: 20 15.997 1.823 0.385 0.919 0.947 0.895 CB 1.082 20 residues pruned to eliminate duplicates Z: 11 16.981 2.053 0.543 0.797 1.000 0.800 CA 1.307 11 residues pruned to eliminate duplicates Z: 27 36.220 1.938 0.821 0.939 1.000 0.538 CB 1.398 27 residues pruned to eliminate duplicates Z: 28 25.574 2.000 0.521 0.909 0.926 0.815 CB 1.240 28 residues pruned to eliminate duplicates Z: 26 31.973 1.971 0.673 0.953 0.960 0.880 CA 1.391 26 residues pruned to eliminate duplicates Z: 21 22.826 1.926 0.487 0.843 0.950 0.700 CB 1.397 21 residues pruned to eliminate duplicates Z: 36 34.077 2.006 0.389 0.880 0.971 0.971 CA 1.543 36 residues pruned to eliminate duplicates Z: 29 28.881 1.895 0.557 0.924 1.000 0.714 CB 1.299 29 residues pruned to eliminate duplicates Z: 28 33.320 1.946 0.841 0.912 0.926 0.519 CA 1.369 28 residues pruned to eliminate duplicates Z: 96 56.356 2.035 0.754 0.708 0.947 0.400 CB 1.416 96 residues pruned to eliminate duplicates Z: 29 31.425 2.000 0.550 0.878 0.964 0.714 CA 1.442 29 residues pruned to eliminate duplicates Z: 31 36.406 2.003 0.831 0.857 0.967 0.300 CB 1.381 30 residues pruned to eliminate duplicates Z: 31 24.792 1.956 0.684 0.868 0.867 0.600 CB 1.159 31 residues pruned to eliminate duplicates Z: 24 27.315 2.039 0.413 0.919 1.000 0.870 CA 1.393 24 residues pruned to eliminate duplicates Z: 29 27.378 1.970 0.737 0.896 0.893 0.536 CB 1.213 29 residues pruned to eliminate duplicates Z: 30 28.729 1.976 0.500 0.863 0.931 0.655 CB 1.418 30 residues pruned to eliminate duplicates Z: 11 11.138 1.827 0.469 0.866 1.000 0.800 CB 0.961 12 residues pruned to eliminate duplicates Z: 28 30.494 1.857 0.526 0.949 1.000 0.852 CA 1.430 28 residues pruned to eliminate duplicates Z: 7 2.421 1.369 0.220 0.432 0.833 0.667 CB 0.762 7 residues pruned to eliminate duplicates Z: 25 26.505 1.874 0.755 0.930 0.917 0.750 CB 1.255 25 residues pruned to eliminate duplicates Z: 94 57.926 2.040 0.755 0.719 0.946 0.527 CB 1.454 95 residues pruned to eliminate duplicates Z: 11 11.729 1.992 0.840 0.841 0.700 0.500 CB 1.078 11 residues pruned to eliminate duplicates Z: 21 18.904 1.759 0.652 0.941 0.950 0.800 CB 1.063 20 residues pruned to eliminate duplicates Z: 26 39.429 1.932 0.989 0.938 1.000 0.800 CA 1.427 27 residues pruned to eliminate duplicates Z: 31 21.054 1.835 0.404 0.870 0.933 0.667 CB 1.167 31 residues pruned to eliminate duplicates Z: 35 44.207 2.063 0.650 0.901 1.000 0.706 CB 1.589 35 residues pruned to eliminate duplicates Z: 12 21.131 2.103 0.549 0.937 1.000 1.000 CB 1.361 12 residues pruned to eliminate duplicates Z: 22 32.904 1.983 1.163 0.919 1.000 0.762 CB 1.180 22 residues pruned to eliminate duplicates Z: 28 27.147 1.900 0.519 0.928 0.963 0.852 CB 1.317 28 residues pruned to eliminate duplicates Z: 26 33.839 1.946 0.659 0.927 1.000 0.840 CA 1.469 26 residues pruned to eliminate duplicates Z: 29 28.771 1.997 0.668 0.928 0.929 0.500 CB 1.231 29 residues pruned to eliminate duplicates Z: 29 37.934 2.111 0.585 0.921 1.000 0.893 CA 1.508 29 residues pruned to eliminate duplicates Z: 9 7.137 1.551 0.392 0.838 1.000 0.750 CB 0.874 Z: 23 41.648 2.138 0.910 0.950 1.000 0.864 CB 1.500 23 residues pruned to eliminate duplicates Z: 29 37.075 2.054 0.686 0.888 0.964 0.714 CB 1.511 29 residues pruned to eliminate duplicates Z: 20 18.017 1.810 0.627 0.900 0.947 0.789 CB 1.059 21 residues pruned to eliminate duplicates Z: 9 9.838 1.645 0.547 0.865 1.000 0.750 CB 1.002 9 residues pruned to eliminate duplicates Z: 22 29.577 2.123 0.581 0.941 0.952 0.905 CB 1.401 22 residues pruned to eliminate duplicates Z: 28 33.391 1.873 0.698 0.907 1.000 0.704 CB 1.436 28 residues pruned to eliminate duplicates Z: 29 26.403 1.967 0.568 0.922 0.929 0.643 CB 1.225 29 residues pruned to eliminate duplicates Z: 28 38.833 1.968 0.896 0.905 1.000 0.556 CB 1.425 28 residues pruned to eliminate duplicates Z: 11 9.772 1.697 0.250 0.779 0.900 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 30 37.435 1.985 0.881 0.898 0.931 0.586 CB 1.431 30 residues pruned to eliminate duplicates Z: 23 28.931 2.036 0.478 0.947 1.000 0.864 CB 1.417 23 residues pruned to eliminate duplicates Z: 27 31.511 1.957 0.600 0.903 1.000 0.846 CB 1.407 27 residues pruned to eliminate duplicates Z: 30 27.951 1.940 0.806 0.910 0.931 0.552 CB 1.129 30 residues pruned to eliminate duplicates Z: 20 16.419 1.828 0.471 0.906 0.947 0.842 CB 1.052 20 residues pruned to eliminate duplicates Z: 17 23.958 1.800 0.882 0.938 0.938 0.375 CB 1.311 16 residues pruned to eliminate duplicates Z: 29 50.889 2.120 0.922 0.950 1.000 0.607 CA 1.628 29 residues pruned to eliminate duplicates Z: 28 21.782 1.860 0.247 0.917 0.963 0.815 CA 1.325 28 residues pruned to eliminate duplicates Z: 19 18.522 1.923 0.757 0.767 0.944 0.722 CB 1.080 19 residues pruned to eliminate duplicates Z: 30 27.476 1.923 0.712 0.898 0.897 0.483 CB 1.236 30 residues pruned to eliminate duplicates Z: 27 38.041 2.010 0.874 0.921 0.962 0.885 CA 1.450 27 residues pruned to eliminate duplicates Z: 28 29.499 1.940 0.644 0.891 0.926 0.630 CA 1.382 28 residues pruned to eliminate duplicates Z: 40 33.823 1.996 0.367 0.864 0.949 0.846 CB 1.534 40 residues pruned to eliminate duplicates Z: 26 36.548 2.062 0.685 0.942 0.960 0.760 CB 1.520 26 residues pruned to eliminate duplicates Z: 9 7.894 1.599 0.283 0.857 1.000 1.000 CB 1.003 9 residues pruned to eliminate duplicates Z: 24 36.404 2.052 0.837 0.908 0.913 0.435 CA 1.566 24 residues pruned to eliminate duplicates Z: 26 40.969 2.069 0.830 0.947 1.000 0.800 CA 1.496 26 residues pruned to eliminate duplicates Z: 29 42.473 2.068 0.699 0.932 1.000 0.679 CA 1.595 29 residues pruned to eliminate duplicates Z: 11 12.122 1.929 0.233 0.846 1.000 0.900 CB 1.197 11 residues pruned to eliminate duplicates Z: 28 28.815 1.861 0.578 0.886 1.000 0.704 CA 1.362 28 residues pruned to eliminate duplicates Z: 29 32.200 1.836 0.750 0.931 0.964 0.536 CA 1.373 29 residues pruned to eliminate duplicates Z: 97 60.057 2.050 0.811 0.748 0.927 0.479 CB 1.427 97 residues pruned to eliminate duplicates Z: 28 31.314 1.995 0.818 0.931 0.963 0.519 CB 1.206 28 residues pruned to eliminate duplicates Z: 23 18.921 2.020 0.364 0.609 0.909 0.591 CB 1.452 23 residues pruned to eliminate duplicates Z: 98 51.191 2.039 0.492 0.677 0.959 0.773 CB 1.514 98 residues pruned to eliminate duplicates Z: 27 40.726 1.916 0.966 0.933 1.000 0.577 CB 1.479 27 residues pruned to eliminate duplicates Z: 13 9.373 1.651 0.437 0.792 0.917 0.583 CB 0.963 13 residues pruned to eliminate duplicates Z: 29 28.302 1.889 0.514 0.904 1.000 0.679 CB 1.332 29 residues pruned to eliminate duplicates Z: 27 28.767 2.038 0.448 0.897 1.000 0.769 CA 1.368 27 residues pruned to eliminate duplicates Z: 28 27.154 1.978 0.688 0.938 0.889 0.593 CB 1.224 28 residues pruned to eliminate duplicates Z: 10 18.747 2.118 0.635 0.853 1.000 0.444 CB 1.333 10 residues pruned to eliminate duplicates Z: 10 16.350 2.031 0.639 0.767 1.000 0.667 CA 1.292 10 residues pruned to eliminate duplicates Z: 29 22.244 1.930 0.281 0.821 0.964 0.857 CA 1.335 29 residues pruned to eliminate duplicates Z: 18 18.742 1.893 0.429 0.913 1.000 0.824 CB 1.189 18 residues pruned to eliminate duplicates Z: 30 23.597 1.940 0.422 0.890 0.966 0.655 CB 1.183 30 residues pruned to eliminate duplicates Z: 27 40.511 2.011 0.946 0.917 1.000 0.769 CB 1.433 27 residues pruned to eliminate duplicates Z: 23 26.671 1.959 0.527 0.936 0.955 0.909 CA 1.386 23 residues pruned to eliminate duplicates Z: 20 14.564 1.773 0.342 0.903 0.947 0.895 CB 1.056 20 residues pruned to eliminate duplicates Z: 43 33.703 2.024 0.429 0.760 0.952 0.833 CA 1.498 43 residues pruned to eliminate duplicates Z: 30 37.410 1.979 0.929 0.886 0.931 0.552 CA 1.411 30 residues pruned to eliminate duplicates Z: 28 39.504 2.073 0.800 0.920 1.000 0.556 CB 1.435 28 residues pruned to eliminate duplicates Z: 22 34.843 2.128 0.782 0.931 1.000 0.905 CA 1.401 22 residues pruned to eliminate duplicates Z: 35 26.289 1.948 0.717 0.775 0.882 0.529 CB 1.198 35 residues pruned to eliminate duplicates Z: 12 7.552 1.680 0.334 0.832 1.000 0.818 CB 0.763 12 residues pruned to eliminate duplicates Z: 19 19.469 1.836 0.803 0.926 1.000 0.778 CB 0.972 19 residues pruned to eliminate duplicates Z: 9 7.580 1.630 0.273 0.716 1.000 0.750 CB 1.063 9 residues pruned to eliminate duplicates Z: 10 15.807 2.008 0.987 0.929 0.889 0.222 CB 1.040 10 residues pruned to eliminate duplicates Z: 12 17.549 1.850 0.460 0.872 1.000 0.818 CA 1.428 12 residues pruned to eliminate duplicates Z: 11 11.898 2.019 0.193 0.865 0.900 0.600 CA 1.272 11 residues pruned to eliminate duplicates Z: 44 41.923 2.022 0.751 0.720 0.977 0.581 CB 1.515 43 residues pruned to eliminate duplicates Z: 28 21.126 1.912 0.181 0.876 0.963 0.704 CA 1.359 28 residues pruned to eliminate duplicates Z: 27 48.337 2.070 1.236 0.887 0.923 0.346 CB 1.600 27 residues pruned to eliminate duplicates Z: 30 39.886 2.012 1.061 0.874 0.897 0.448 CB 1.450 30 residues pruned to eliminate duplicates Z: 25 33.942 1.965 0.708 0.932 1.000 0.833 CA 1.442 25 residues pruned to eliminate duplicates Z: 20 13.987 1.789 0.356 0.890 0.895 0.789 CB 1.064 20 residues pruned to eliminate duplicates Z: 28 29.149 1.857 0.657 0.902 1.000 0.778 CB 1.300 28 residues pruned to eliminate duplicates Z: 19 17.318 1.838 0.459 0.897 0.944 0.778 CB 1.154 19 residues pruned to eliminate duplicates Z: 26 25.021 1.834 0.433 0.903 1.000 0.840 CA 1.357 26 residues pruned to eliminate duplicates Z: 13 10.223 1.724 0.400 0.775 0.917 0.750 CB 1.046 13 residues pruned to eliminate duplicates Z: 20 15.827 1.818 0.416 0.899 0.947 0.737 CB 1.064 20 residues pruned to eliminate duplicates Z: 29 23.520 1.960 0.443 0.913 0.893 0.643 CB 1.246 29 residues pruned to eliminate duplicates Z: 32 23.421 1.856 0.722 0.808 0.839 0.581 CB 1.200 32 residues pruned to eliminate duplicates Z: 18 19.703 1.853 0.551 0.878 1.000 0.647 CA 1.207 18 residues pruned to eliminate duplicates Z: 20 31.900 2.112 0.675 0.943 1.000 1.000 CB 1.433 20 residues pruned to eliminate duplicates Z: 53 49.233 2.038 0.690 0.882 1.000 0.673 CA 1.434 56 residues pruned to eliminate duplicates Z: 20 15.093 1.990 0.423 0.638 0.947 0.526 CB 1.135 20 residues pruned to eliminate duplicates Z: 12 12.303 1.877 0.365 0.798 1.000 0.818 CA 1.115 12 residues pruned to eliminate duplicates Z: 21 14.455 1.772 0.380 0.860 0.900 0.800 CB 1.080 21 residues pruned to eliminate duplicates Z: 29 42.219 2.012 0.934 0.875 1.000 0.536 CB 1.491 29 residues pruned to eliminate duplicates Z: 20 15.369 1.804 0.340 0.915 0.947 0.842 CB 1.088 20 residues pruned to eliminate duplicates Z: 40 28.449 1.872 0.591 0.803 0.897 0.769 CB 1.308 40 residues pruned to eliminate duplicates Z: 8 3.839 1.204 0.640 0.489 0.857 0.429 N 0.866 Z: 24 24.735 1.930 0.491 0.910 0.957 0.870 CB 1.329 24 residues pruned to eliminate duplicates Z: 57 45.756 2.049 0.866 0.750 0.929 0.375 CB 1.378 57 residues pruned to eliminate duplicates Z: 20 27.717 1.999 0.967 0.888 0.947 0.526 CB 1.230 20 residues pruned to eliminate duplicates Z: 30 28.653 2.022 0.607 0.781 0.966 0.793 CA 1.323 30 residues pruned to eliminate duplicates Z: 30 37.650 2.042 0.600 0.944 1.000 0.862 CA 1.482 30 residues pruned to eliminate duplicates Z: 11 13.741 1.860 0.264 0.891 1.000 0.900 CB 1.329 11 residues pruned to eliminate duplicates Z: 22 34.329 2.100 0.824 0.946 1.000 0.905 CA 1.352 22 residues pruned to eliminate duplicates Z: 29 29.274 2.030 0.338 0.938 1.000 0.964 CA 1.416 29 residues pruned to eliminate duplicates Z: 44 37.478 1.974 0.739 0.733 0.930 0.535 CB 1.452 44 residues pruned to eliminate duplicates Z: 26 21.572 1.889 0.243 0.907 1.000 0.880 CA 1.306 26 residues pruned to eliminate duplicates Z: 110 59.212 2.017 0.735 0.777 0.982 0.633 CB 1.293 110 residues pruned to eliminate duplicates Z: 6 3.447 1.352 0.494 0.501 0.800 0.600 CB 0.953 Z: 29 42.989 2.124 0.703 0.910 1.000 0.786 CA 1.593 29 residues pruned to eliminate duplicates Z: 29 27.692 1.998 0.526 0.887 0.893 0.571 CB 1.386 29 residues pruned to eliminate duplicates Z: 44 39.058 1.940 0.782 0.802 1.000 0.372 CB 1.323 44 residues pruned to eliminate duplicates Z: 26 38.151 1.973 0.922 0.935 1.000 0.440 CB 1.402 26 residues pruned to eliminate duplicates Z: 24 14.592 1.983 0.355 0.596 0.913 0.565 CB 1.132 24 residues pruned to eliminate duplicates Z: 16 21.698 1.820 0.982 0.904 0.933 0.667 CB 1.185 16 residues pruned to eliminate duplicates Z: 24 39.516 2.042 1.063 0.884 0.957 0.522 CA 1.478 24 residues pruned to eliminate duplicates Z: 37 41.992 1.971 1.007 0.777 0.944 0.528 CB 1.467 37 residues pruned to eliminate duplicates Z: 31 31.469 1.973 0.764 0.767 0.967 0.867 CA 1.347 31 residues pruned to eliminate duplicates Z: 48 38.317 2.062 0.511 0.707 1.000 0.638 CA 1.486 48 residues pruned to eliminate duplicates Z: 27 34.705 1.901 0.771 0.943 1.000 0.731 CA 1.401 27 residues pruned to eliminate duplicates Z: 30 37.879 1.981 0.783 0.889 0.966 0.759 CA 1.484 30 residues pruned to eliminate duplicates Z: 16 24.405 1.832 1.226 0.902 0.933 0.600 CB 1.181 16 residues pruned to eliminate duplicates Z: 82 61.248 2.055 0.858 0.853 0.963 0.642 CB 1.369 82 residues pruned to eliminate duplicates Z: 29 26.675 1.971 0.579 0.907 0.964 0.643 CB 1.194 29 residues pruned to eliminate duplicates Z: 6 2.098 1.723 0.468 0.126 0.400 0.400 CA 1.481 6 residues pruned to eliminate duplicates Z: 22 35.844 2.114 0.958 0.952 0.952 0.905 CB 1.367 22 residues pruned to eliminate duplicates Z: 11 16.949 2.031 0.821 0.836 0.900 0.600 CB 1.205 11 residues pruned to eliminate duplicates Z: 45 43.000 1.998 0.787 0.748 0.977 0.523 CB 1.489 45 residues pruned to eliminate duplicates Z: 16 19.136 1.843 0.662 0.937 0.933 0.867 CB 1.202 16 residues pruned to eliminate duplicates Z: 26 31.645 2.005 0.581 0.933 1.000 0.840 CB 1.394 26 residues pruned to eliminate duplicates Z: 74 50.650 2.053 0.576 0.788 0.945 0.671 CB 1.504 74 residues pruned to eliminate duplicates Z: 43 42.922 2.022 0.779 0.723 1.000 0.548 CB 1.505 43 residues pruned to eliminate duplicates 7 1.710 1.361 -0.011 0.293 0.833 0.500 CA 0.785 ? Z: 18 17.349 1.823 0.555 0.875 1.000 0.824 CB 1.080 18 residues pruned to eliminate duplicates Z: 27 41.731 2.021 1.012 0.929 1.000 0.538 CB 1.409 27 residues pruned to eliminate duplicates Z: 28 23.931 1.810 0.421 0.907 0.963 0.852 CA 1.322 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 10.506 1.819 0.439 0.661 0.929 0.500 CB 0.995 15 residues pruned to eliminate duplicates Z: 15 11.036 1.841 0.556 0.588 1.000 0.643 CB 0.946 15 residues pruned to eliminate duplicates Z: 15 10.709 1.789 0.657 0.642 0.929 0.714 CB 0.911 15 residues pruned to eliminate duplicates Z: 15 10.008 1.796 0.472 0.643 1.000 0.571 CB 0.885 15 residues pruned to eliminate duplicates Z: 14 10.130 1.904 0.493 0.714 0.923 0.769 CB 0.882 14 residues pruned to eliminate duplicates Z: 13 9.776 1.942 0.544 0.688 0.833 0.583 CB 0.951 13 residues pruned to eliminate duplicates Z: 17 7.745 1.684 0.737 0.627 0.938 0.750 CB 0.626 17 residues pruned to eliminate duplicates Z: 14 10.862 1.875 0.620 0.639 0.923 0.538 CB 0.943 14 residues pruned to eliminate duplicates Z: 7 4.947 1.640 0.441 0.326 0.833 0.333 N 1.242 7 residues pruned to eliminate duplicates Z: 14 8.024 1.824 0.499 0.601 0.769 0.615 CB 0.961 14 residues pruned to eliminate duplicates Z: 14 7.813 1.835 0.469 0.629 0.769 0.615 CB 0.926 14 residues pruned to eliminate duplicates Z: 16 10.320 1.769 0.482 0.610 0.933 0.733 CB 0.981 16 residues pruned to eliminate duplicates Z: 60 50.519 2.026 0.647 0.868 0.983 0.729 CB 1.466 60 residues pruned to eliminate duplicates Z: 8 8.577 1.599 0.650 0.788 1.000 0.571 CB 0.954 8 residues pruned to eliminate duplicates Z: 60 48.815 2.001 0.667 0.851 0.983 0.814 CA 1.435 60 residues pruned to eliminate duplicates Z: 62 48.422 2.005 0.697 0.845 0.967 0.738 CB 1.400 62 residues pruned to eliminate duplicates Z: 9 10.223 1.647 0.713 0.885 1.000 0.875 CB 0.925 9 residues pruned to eliminate duplicates Z: 27 18.541 1.684 0.672 0.732 0.962 0.577 CB 1.091 27 residues pruned to eliminate duplicates Z: 62 51.237 2.007 0.750 0.839 0.984 0.770 CB 1.418 62 residues pruned to eliminate duplicates Z: 99 58.038 2.071 0.479 0.760 0.980 0.786 CA 1.549 99 residues pruned to eliminate duplicates Z: 42 35.197 2.071 0.449 0.753 0.976 0.854 CA 1.499 42 residues pruned to eliminate duplicates Z: 80 57.277 2.088 0.588 0.777 0.962 0.848 CA 1.582 80 residues pruned to eliminate duplicates Z: 98 58.420 2.082 0.524 0.740 0.990 0.753 CA 1.523 98 residues pruned to eliminate duplicates Z: 96 52.033 2.054 0.502 0.696 0.979 0.726 CB 1.478 96 residues pruned to eliminate duplicates Z: 41 37.178 2.090 0.457 0.763 1.000 0.850 CA 1.529 41 residues pruned to eliminate duplicates Z: 41 36.550 2.063 0.493 0.750 0.975 0.775 CA 1.539 41 residues pruned to eliminate duplicates Z: 187 78.691 2.056 0.615 0.753 0.952 0.731 CB 1.458 187 residues pruned to eliminate duplicates Z: 59 47.577 2.089 0.533 0.771 0.983 0.707 CB 1.561 59 residues pruned to eliminate duplicates Z: 96 58.741 2.096 0.513 0.758 0.989 0.747 CB 1.527 96 residues pruned to eliminate duplicates Z: 97 57.111 2.064 0.567 0.700 0.979 0.708 CB 1.534 97 residues pruned to eliminate duplicates Z: 123 71.710 2.093 0.603 0.780 0.975 0.811 CB 1.550 123 residues pruned to eliminate duplicates Z: 41 38.178 2.082 0.589 0.756 0.975 0.725 CA 1.490 42 residues pruned to eliminate duplicates Z: 11 18.159 1.924 0.606 0.848 1.000 0.500 CB 1.379 11 residues pruned to eliminate duplicates Z: 42 33.410 2.044 0.417 0.754 0.951 0.805 CA 1.509 42 residues pruned to eliminate duplicates Z: 76 50.147 2.085 0.495 0.759 0.960 0.773 CA 1.537 76 residues pruned to eliminate duplicates Z: 96 61.116 2.093 0.563 0.753 0.979 0.758 CB 1.563 96 residues pruned to eliminate duplicates Z: 99 57.559 2.061 0.569 0.743 0.949 0.755 CA 1.524 99 residues pruned to eliminate duplicates Z: 43 38.311 2.061 0.557 0.712 0.976 0.738 CB 1.557 43 residues pruned to eliminate duplicates Z: 97 60.199 2.086 0.583 0.752 0.958 0.740 CB 1.550 97 residues pruned to eliminate duplicates Z: 41 35.803 2.066 0.505 0.752 0.950 0.650 CA 1.531 41 residues pruned to eliminate duplicates Z: 41 40.633 2.073 0.682 0.755 0.950 0.650 CA 1.545 41 residues pruned to eliminate duplicates Z: 98 62.318 2.090 0.617 0.747 0.979 0.773 CB 1.532 98 residues pruned to eliminate duplicates Z: 98 59.120 2.071 0.593 0.735 0.979 0.711 CB 1.505 98 residues pruned to eliminate duplicates Z: 27 35.471 2.026 0.720 0.929 0.962 0.731 CA 1.453 27 residues pruned to eliminate duplicates Z: 98 61.895 2.091 0.649 0.742 0.948 0.753 CB 1.547 98 residues pruned to eliminate duplicates Z: 29 37.199 2.026 0.814 0.865 0.893 0.643 CA 1.569 29 residues pruned to eliminate duplicates Z: 42 39.697 2.066 0.606 0.771 0.976 0.561 CB 1.507 42 residues pruned to eliminate duplicates Z: 78 61.460 2.082 0.726 0.790 0.974 0.714 CA 1.551 78 residues pruned to eliminate duplicates Z: 42 43.612 2.044 0.727 0.766 0.976 0.634 CB 1.561 42 residues pruned to eliminate duplicates Z: 98 62.782 2.066 0.701 0.753 0.969 0.691 CB 1.495 98 residues pruned to eliminate duplicates Z: 98 62.122 2.083 0.677 0.747 0.959 0.701 CB 1.511 98 residues pruned to eliminate duplicates Z: 96 63.265 2.081 0.634 0.775 0.979 0.737 CB 1.529 96 residues pruned to eliminate duplicates Z: 98 61.188 2.079 0.644 0.747 0.979 0.732 CB 1.488 98 residues pruned to eliminate duplicates Z: 98 60.933 2.082 0.603 0.750 0.990 0.753 CB 1.498 98 residues pruned to eliminate duplicates Z: 98 64.561 2.092 0.719 0.747 0.969 0.619 CB 1.508 98 residues pruned to eliminate duplicates Z: 59 52.582 2.074 0.732 0.774 1.000 0.621 CB 1.509 59 residues pruned to eliminate duplicates Z: 97 64.591 2.096 0.667 0.750 1.000 0.635 CB 1.509 97 residues pruned to eliminate duplicates Z: 97 65.197 2.082 0.670 0.758 1.000 0.646 CB 1.520 97 residues pruned to eliminate duplicates Z: 97 66.565 2.080 0.765 0.753 0.979 0.656 CB 1.508 97 residues pruned to eliminate duplicates Z: 98 63.299 2.073 0.696 0.743 0.959 0.629 CB 1.533 98 residues pruned to eliminate duplicates Z: 99 62.506 2.073 0.657 0.743 0.990 0.684 CB 1.494 99 residues pruned to eliminate duplicates Z: 96 58.429 2.046 0.708 0.706 0.968 0.589 CB 1.468 96 residues pruned to eliminate duplicates Z: 100 62.520 2.076 0.665 0.746 0.990 0.626 CB 1.473 100 residues pruned to eliminate duplicates Z: 57 35.063 2.055 0.425 0.683 0.929 0.750 CB 1.457 57 residues pruned to eliminate duplicates Z: 56 42.068 2.076 0.545 0.723 0.945 0.618 CB 1.530 56 residues pruned to eliminate duplicates Z: 77 55.909 2.053 0.742 0.743 0.947 0.658 CB 1.524 77 residues pruned to eliminate duplicates Z: 98 66.986 2.073 0.764 0.750 1.000 0.639 CB 1.488 98 residues pruned to eliminate duplicates Z: 96 58.719 2.064 0.714 0.704 0.968 0.547 CB 1.461 96 residues pruned to eliminate duplicates Z: 55 47.689 2.099 0.687 0.735 0.963 0.722 CB 1.541 55 residues pruned to eliminate duplicates Z: 55 35.210 2.034 0.552 0.652 0.926 0.574 CB 1.423 55 residues pruned to eliminate duplicates Z: 89 64.233 2.079 0.773 0.769 0.977 0.523 CB 1.498 89 residues pruned to eliminate duplicates Z: 95 61.848 2.070 0.697 0.727 0.968 0.521 CB 1.528 95 residues pruned to eliminate duplicates Z: 58 41.518 2.043 0.562 0.711 0.965 0.596 CB 1.474 58 residues pruned to eliminate duplicates Z: 97 64.238 2.084 0.722 0.755 0.948 0.594 CB 1.536 97 residues pruned to eliminate duplicates Z: 56 44.679 2.077 0.622 0.727 0.982 0.545 CB 1.485 56 residues pruned to eliminate duplicates Z: 94 59.381 2.074 0.698 0.713 0.978 0.538 CB 1.473 94 residues pruned to eliminate duplicates Z: 99 67.192 2.079 0.732 0.750 1.000 0.571 CB 1.508 99 residues pruned to eliminate duplicates Z: 101 63.459 2.050 0.771 0.720 0.950 0.540 CB 1.508 101 residues pruned to eliminate duplicates Z: 98 62.922 2.048 0.851 0.701 0.979 0.474 CB 1.432 96 residues pruned to eliminate duplicates Z: 19 40.531 2.160 1.149 0.908 0.944 0.444 CA 1.548 19 residues pruned to eliminate duplicates Z: 37 44.720 2.077 0.968 0.765 0.944 0.528 CB 1.527 37 residues pruned to eliminate duplicates Z: 98 62.653 2.070 0.780 0.741 0.969 0.588 CB 1.435 98 residues pruned to eliminate duplicates Z: 57 46.760 2.073 0.776 0.699 0.964 0.518 CB 1.467 57 residues pruned to eliminate duplicates Z: 77 67.291 2.086 0.888 0.788 0.987 0.487 CB 1.542 77 residues pruned to eliminate duplicates Z: 79 65.822 2.072 0.912 0.786 0.962 0.436 CB 1.522 79 residues pruned to eliminate duplicates Z: 98 68.723 2.090 0.863 0.750 0.979 0.557 CB 1.465 98 residues pruned to eliminate duplicates Z: 20 36.496 2.044 1.036 0.855 0.947 0.526 CA 1.568 20 residues pruned to eliminate duplicates Z: 40 37.527 2.050 0.700 0.729 0.949 0.590 CA 1.479 40 residues pruned to eliminate duplicates Z: 78 69.797 2.081 0.939 0.787 0.987 0.455 CB 1.552 78 residues pruned to eliminate duplicates Z: 99 66.003 2.074 0.833 0.737 0.959 0.561 CB 1.478 99 residues pruned to eliminate duplicates Z: 97 60.609 2.057 0.810 0.740 0.927 0.417 CB 1.445 97 residues pruned to eliminate duplicates Z: 97 70.091 2.074 0.862 0.759 0.990 0.469 CB 1.487 97 residues pruned to eliminate duplicates Z: 99 63.061 2.053 0.793 0.743 0.959 0.531 CB 1.451 99 residues pruned to eliminate duplicates Z: 125 66.062 2.059 0.686 0.713 0.944 0.629 CB 1.493 125 residues pruned to eliminate duplicates Z: 98 65.359 2.077 0.776 0.750 0.990 0.526 CB 1.454 98 residues pruned to eliminate duplicates Z: 100 65.016 2.052 0.815 0.756 0.980 0.434 CB 1.426 100 residues pruned to eliminate duplicates Z: 57 44.829 2.072 0.740 0.726 0.964 0.661 CB 1.406 57 residues pruned to eliminate duplicates Z: 96 69.461 2.091 0.822 0.771 0.989 0.579 CB 1.488 96 residues pruned to eliminate duplicates Z: 22 15.097 1.994 0.333 0.633 0.952 0.524 CB 1.148 22 residues pruned to eliminate duplicates Z: 98 65.568 2.079 0.808 0.753 0.959 0.526 CB 1.473 98 residues pruned to eliminate duplicates Z: 97 64.386 2.068 0.834 0.762 0.958 0.521 CB 1.432 97 residues pruned to eliminate duplicates Z: 43 34.391 1.971 0.628 0.711 0.976 0.405 CB 1.399 43 residues pruned to eliminate duplicates Z: 56 46.834 2.067 0.822 0.707 0.982 0.418 CB 1.414 56 residues pruned to eliminate duplicates Z: 55 33.993 2.033 0.723 0.633 0.870 0.537 CB 1.340 55 residues pruned to eliminate duplicates Z: 57 35.236 2.011 0.692 0.627 0.875 0.339 CB 1.403 57 residues pruned to eliminate duplicates Z: 94 58.233 2.045 0.822 0.709 0.935 0.548 CB 1.433 94 residues pruned to eliminate duplicates Z: 57 46.558 2.058 0.756 0.703 0.982 0.500 CB 1.458 57 residues pruned to eliminate duplicates Z: 103 63.238 2.039 0.796 0.719 0.951 0.500 CB 1.475 103 residues pruned to eliminate duplicates Z: 187 83.296 2.058 0.775 0.769 0.935 0.629 CB 1.408 177 residues pruned to eliminate duplicates Z: 11 17.417 2.051 0.604 0.822 1.000 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 26 16.332 1.945 0.416 0.547 0.880 0.560 CB 1.288 26 residues pruned to eliminate duplicates Z: 97 63.398 2.062 0.857 0.717 0.969 0.500 CB 1.433 97 residues pruned to eliminate duplicates Z: 97 63.693 2.078 0.791 0.757 0.948 0.500 CB 1.466 97 residues pruned to eliminate duplicates Z: 50 31.661 2.051 0.421 0.702 0.939 0.612 CB 1.375 50 residues pruned to eliminate duplicates Z: 82 56.907 2.073 0.805 0.769 0.926 0.481 CB 1.439 82 residues pruned to eliminate duplicates Z: 103 56.755 2.055 0.699 0.771 0.931 0.725 CB 1.359 103 residues pruned to eliminate duplicates Z: 28 32.260 1.879 0.921 0.866 0.926 0.741 CA 1.360 28 residues pruned to eliminate duplicates Z: 27 28.920 1.920 0.600 0.885 0.962 0.808 CA 1.386 27 residues pruned to eliminate duplicates Z: 27 32.260 1.904 0.792 0.891 0.962 0.769 CA 1.387 27 residues pruned to eliminate duplicates Z: 28 28.756 1.914 0.613 0.866 0.963 0.741 CA 1.363 28 residues pruned to eliminate duplicates Z: 27 31.938 1.933 0.731 0.887 0.962 0.692 CA 1.403 27 residues pruned to eliminate duplicates Z: 29 27.225 1.836 0.708 0.857 0.929 0.643 CA 1.303 29 residues pruned to eliminate duplicates Z: 114 57.518 2.005 0.672 0.774 0.929 0.628 CB 1.363 139 residues pruned to eliminate duplicates Z: 27 32.013 1.906 0.620 0.914 1.000 0.731 CA 1.438 27 residues pruned to eliminate duplicates Z: 24 32.308 1.970 0.798 0.889 1.000 0.652 CA 1.368 24 residues pruned to eliminate duplicates Z: 28 35.840 1.879 0.866 0.912 1.000 0.778 CA 1.393 28 residues pruned to eliminate duplicates Z: 26 35.853 1.942 0.849 0.944 0.960 0.640 CA 1.441 26 residues pruned to eliminate duplicates Z: 28 35.163 1.897 0.868 0.901 0.963 0.704 CA 1.416 28 residues pruned to eliminate duplicates Z: 28 38.569 1.884 1.008 0.892 0.963 0.556 CA 1.464 28 residues pruned to eliminate duplicates Z: 26 37.325 1.910 0.944 0.916 0.960 0.520 CA 1.479 26 residues pruned to eliminate duplicates Z: 28 33.060 1.894 0.818 0.876 0.926 0.741 CB 1.450 28 residues pruned to eliminate duplicates Z: 27 37.960 1.916 0.991 0.917 0.962 0.769 CB 1.432 27 residues pruned to eliminate duplicates Z: 32 33.199 1.861 0.878 0.826 0.935 0.677 CB 1.375 32 residues pruned to eliminate duplicates Z: 26 40.035 1.916 1.038 0.927 1.000 0.760 CA 1.436 26 residues pruned to eliminate duplicates Z: 28 36.170 1.878 0.913 0.914 0.926 0.630 CB 1.480 28 residues pruned to eliminate duplicates Z: 27 39.223 1.919 0.935 0.951 1.000 0.538 CB 1.429 27 residues pruned to eliminate duplicates Z: 27 35.989 1.895 0.897 0.924 0.962 0.538 CB 1.433 27 residues pruned to eliminate duplicates Z: 29 33.171 1.832 1.067 0.887 0.893 0.643 CB 1.337 29 residues pruned to eliminate duplicates Z: 26 35.639 1.887 1.053 0.909 0.960 0.440 CB 1.360 26 residues pruned to eliminate duplicates Z: 26 39.631 1.933 1.140 0.952 0.960 0.680 CB 1.375 26 residues pruned to eliminate duplicates Z: 28 39.857 1.904 1.060 0.909 0.963 0.593 CA 1.441 28 residues pruned to eliminate duplicates Z: 27 26.191 1.899 0.345 0.950 1.000 0.808 CB 1.387 27 residues pruned to eliminate duplicates Z: 62 49.318 1.975 0.761 0.829 0.984 0.656 CB 1.390 62 residues pruned to eliminate duplicates Z: 51 51.525 2.093 0.736 0.901 0.980 0.760 CA 1.461 51 residues pruned to eliminate duplicates Z: 62 49.442 2.013 0.643 0.840 1.000 0.656 CB 1.429 62 residues pruned to eliminate duplicates Z: 30 25.377 1.900 0.386 0.878 0.966 0.690 CA 1.345 30 residues pruned to eliminate duplicates Z: 61 48.988 2.006 0.735 0.853 0.950 0.633 CB 1.414 61 residues pruned to eliminate duplicates Z: 61 48.217 2.000 0.779 0.852 0.950 0.667 CB 1.363 61 residues pruned to eliminate duplicates Z: 60 49.362 2.008 0.776 0.850 0.949 0.593 CB 1.407 60 residues pruned to eliminate duplicates Z: 59 45.014 1.984 0.696 0.770 0.948 0.621 CB 1.458 59 residues pruned to eliminate duplicates Z: 61 48.615 2.002 0.697 0.859 0.983 0.667 CB 1.382 61 residues pruned to eliminate duplicates Z: 41 44.326 2.133 0.759 0.848 0.950 0.775 CA 1.458 41 residues pruned to eliminate duplicates Z: 41 47.251 2.118 0.832 0.844 0.975 0.725 CA 1.470 41 residues pruned to eliminate duplicates Z: 50 40.482 2.039 0.679 0.738 0.918 0.653 CB 1.486 50 residues pruned to eliminate duplicates Z: 46 36.531 2.038 0.665 0.704 0.911 0.644 CB 1.463 46 residues pruned to eliminate duplicates Z: 43 45.158 2.101 0.776 0.804 0.976 0.667 CA 1.466 43 residues pruned to eliminate duplicates Z: 58 40.729 1.982 0.715 0.756 0.877 0.526 CB 1.441 58 residues pruned to eliminate duplicates Z: 41 47.087 2.142 0.799 0.852 0.950 0.700 CA 1.505 41 residues pruned to eliminate duplicates Z: 43 49.818 2.115 0.894 0.814 0.929 0.667 CB 1.572 43 residues pruned to eliminate duplicates Z: 41 51.951 2.141 0.971 0.848 0.950 0.625 CA 1.520 41 residues pruned to eliminate duplicates Z: 42 48.194 2.111 0.815 0.829 0.951 0.659 CA 1.555 42 residues pruned to eliminate duplicates Z: 40 51.213 2.143 0.807 0.863 1.000 0.615 CA 1.554 40 residues pruned to eliminate duplicates Z: 57 44.148 2.002 0.732 0.746 0.964 0.589 CB 1.415 57 residues pruned to eliminate duplicates Z: 41 49.153 2.119 0.815 0.845 1.000 0.675 CA 1.502 41 residues pruned to eliminate duplicates Z: 40 46.588 2.107 0.852 0.780 0.949 0.615 CB 1.574 40 residues pruned to eliminate duplicates Z: 55 52.515 2.033 0.913 0.844 0.963 0.519 CB 1.420 55 residues pruned to eliminate duplicates Z: 54 38.890 1.976 0.721 0.730 0.906 0.585 CB 1.411 54 residues pruned to eliminate duplicates Z: 46 43.738 2.064 0.785 0.767 0.911 0.600 CB 1.533 46 residues pruned to eliminate duplicates Z: 62 51.753 2.011 0.810 0.844 0.967 0.574 CB 1.401 65 residues pruned to eliminate duplicates Z: 27 36.640 1.988 0.842 0.932 1.000 0.885 CA 1.370 25 residues pruned to eliminate duplicates Z: 28 36.302 1.994 0.677 0.952 1.000 0.815 CA 1.438 27 residues pruned to eliminate duplicates Z: 24 36.664 2.108 0.673 0.957 1.000 1.000 CA 1.488 24 residues pruned to eliminate duplicates Z: 42 49.143 2.126 0.931 0.824 0.927 0.512 CA 1.524 42 residues pruned to eliminate duplicates Z: 41 50.056 2.146 0.825 0.855 0.975 0.725 CA 1.529 41 residues pruned to eliminate duplicates Z: 43 46.355 2.094 0.830 0.805 0.976 0.500 CA 1.465 43 residues pruned to eliminate duplicates Z: 59 44.056 1.955 0.783 0.744 0.948 0.586 CB 1.406 59 residues pruned to eliminate duplicates Z: 41 48.488 2.129 0.817 0.850 1.000 0.750 CA 1.467 41 residues pruned to eliminate duplicates Z: 57 42.611 1.973 0.770 0.743 0.911 0.518 CB 1.441 57 residues pruned to eliminate duplicates Z: 45 48.993 2.098 0.845 0.773 0.977 0.500 CA 1.534 48 residues pruned to eliminate duplicates Z: 26 40.365 2.003 0.892 0.949 1.000 0.640 CA 1.470 25 residues pruned to eliminate duplicates Z: 25 37.849 2.025 0.862 0.946 1.000 0.583 CA 1.418 25 residues pruned to eliminate duplicates Z: 47 45.614 2.068 0.835 0.767 0.935 0.543 CA 1.497 47 residues pruned to eliminate duplicates Z: 57 45.596 1.980 0.836 0.751 0.946 0.393 CB 1.415 59 residues pruned to eliminate duplicates Z: 28 37.372 1.944 0.972 0.918 1.000 0.481 CB 1.323 28 residues pruned to eliminate duplicates Z: 50 46.272 2.022 0.842 0.765 0.939 0.571 CB 1.495 50 residues pruned to eliminate duplicates Z: 58 45.632 1.981 0.830 0.753 0.930 0.509 CB 1.431 58 residues pruned to eliminate duplicates Z: 42 49.369 2.111 0.926 0.815 0.951 0.463 CB 1.516 42 residues pruned to eliminate duplicates Z: 15 20.146 1.879 0.749 0.900 0.929 0.714 CB 1.260 12 residues pruned to eliminate duplicates Z: 25 36.472 1.956 0.856 0.919 0.958 0.375 CA 1.508 25 residues pruned to eliminate duplicates Z: 43 49.255 2.074 0.779 0.851 1.000 0.452 CB 1.525 43 residues pruned to eliminate duplicates Z: 44 52.273 2.100 0.911 0.813 0.977 0.512 CB 1.549 44 residues pruned to eliminate duplicates Z: 44 52.669 2.082 0.965 0.846 0.977 0.465 CB 1.494 45 residues pruned to eliminate duplicates Z: 6 4.442 1.724 0.654 0.309 0.600 0.200 CA 1.435 Z: 30 25.090 1.977 0.502 0.889 0.897 0.724 CB 1.260 30 residues pruned to eliminate duplicates Z: 132 65.742 2.047 0.686 0.774 0.939 0.664 CB 1.391 132 residues pruned to eliminate duplicates Z: 111 55.005 2.038 0.647 0.757 0.927 0.618 CB 1.340 111 residues pruned to eliminate duplicates Z: 89 53.405 2.025 0.697 0.794 0.955 0.682 CB 1.342 89 residues pruned to eliminate duplicates Z: 54 46.193 2.034 0.764 0.863 1.000 0.585 CB 1.298 54 residues pruned to eliminate duplicates Z: 58 47.753 2.031 0.715 0.843 1.000 0.702 CB 1.352 58 residues pruned to eliminate duplicates Z: 147 69.115 2.043 0.677 0.764 0.952 0.644 CB 1.387 147 residues pruned to eliminate duplicates Z: 188 84.475 2.049 0.772 0.773 0.963 0.604 CB 1.388 189 residues pruned to eliminate duplicates Z: 31 25.387 1.901 0.504 0.895 1.000 0.567 CB 1.162 31 residues pruned to eliminate duplicates Z: 139 73.705 2.056 0.760 0.784 0.971 0.616 CB 1.391 139 residues pruned to eliminate duplicates Z: 80 56.923 2.063 0.677 0.851 0.975 0.646 CB 1.406 80 residues pruned to eliminate duplicates Z: 100 56.821 2.041 0.720 0.781 0.939 0.444 CB 1.351 100 residues pruned to eliminate duplicates Z: 89 56.075 2.042 0.716 0.807 0.955 0.750 CB 1.367 89 residues pruned to eliminate duplicates Z: 61 44.420 1.989 0.855 0.825 0.917 0.550 CB 1.280 61 residues pruned to eliminate duplicates Z: 105 59.069 2.038 0.739 0.784 0.971 0.596 CB 1.310 105 residues pruned to eliminate duplicates Z: 119 55.048 1.993 0.717 0.707 0.932 0.568 CB 1.315 119 residues pruned to eliminate duplicates Z: 175 85.074 2.053 0.788 0.772 0.977 0.592 CB 1.414 175 residues pruned to eliminate duplicates Z: 89 55.511 2.038 0.731 0.808 0.955 0.636 CB 1.343 89 residues pruned to eliminate duplicates Z: 113 54.831 2.011 0.632 0.748 0.964 0.554 CB 1.311 113 residues pruned to eliminate duplicates Z: 89 55.995 2.034 0.760 0.772 0.943 0.591 CB 1.389 89 residues pruned to eliminate duplicates Z: 113 64.402 2.055 0.768 0.787 0.938 0.509 CB 1.389 113 residues pruned to eliminate duplicates Z: 90 54.434 2.032 0.706 0.793 0.966 0.596 CB 1.332 90 residues pruned to eliminate duplicates Z: 117 64.000 2.026 0.787 0.779 0.922 0.526 CB 1.391 117 residues pruned to eliminate duplicates Z: 100 57.065 2.041 0.766 0.766 0.939 0.636 CB 1.339 100 residues pruned to eliminate duplicates Z: 80 60.851 2.055 0.907 0.837 0.962 0.633 CB 1.358 80 residues pruned to eliminate duplicates Z: 90 57.265 2.028 0.795 0.772 0.966 0.596 CB 1.357 90 residues pruned to eliminate duplicates Z: 86 50.886 2.023 0.689 0.756 0.929 0.671 CB 1.383 86 residues pruned to eliminate duplicates Z: 188 84.094 2.054 0.757 0.765 0.947 0.561 CB 1.423 188 residues pruned to eliminate duplicates Z: 89 54.726 2.018 0.743 0.793 0.955 0.580 CB 1.344 89 residues pruned to eliminate duplicates Z: 65 43.387 1.984 0.702 0.751 0.969 0.672 CB 1.325 65 residues pruned to eliminate duplicates Z: 188 86.701 2.054 0.769 0.782 0.968 0.535 CB 1.406 188 residues pruned to eliminate duplicates Z: 22 31.104 2.121 0.637 0.935 1.000 0.905 CA 1.363 22 residues pruned to eliminate duplicates Z: 177 82.567 2.032 0.842 0.788 0.938 0.494 CB 1.377 176 residues pruned to eliminate duplicates Z: 23 29.373 2.044 0.598 0.946 1.000 0.909 CB 1.326 23 residues pruned to eliminate duplicates Z: 37 28.888 1.965 0.707 0.647 0.944 0.750 CB 1.325 37 residues pruned to eliminate duplicates Z: 62 41.449 1.994 0.724 0.769 0.951 0.721 CB 1.280 62 residues pruned to eliminate duplicates Z: 111 60.253 2.034 0.788 0.747 0.927 0.655 CB 1.366 111 residues pruned to eliminate duplicates Z: 84 61.908 2.040 0.911 0.833 0.988 0.614 CB 1.323 84 residues pruned to eliminate duplicates Z: 91 58.669 2.011 0.901 0.781 0.956 0.644 CB 1.322 91 residues pruned to eliminate duplicates Z: 31 28.112 1.962 0.943 0.719 0.933 0.567 CB 1.183 31 residues pruned to eliminate duplicates Z: 90 56.271 2.026 0.883 0.803 0.933 0.629 CB 1.287 90 residues pruned to eliminate duplicates Z: 88 60.620 2.045 0.833 0.812 0.977 0.586 CB 1.353 88 residues pruned to eliminate duplicates Z: 53 50.079 2.027 0.988 0.862 1.000 0.615 CB 1.265 53 residues pruned to eliminate duplicates Z: 88 61.164 2.041 0.900 0.808 0.966 0.655 CB 1.339 88 residues pruned to eliminate duplicates Z: 81 61.316 2.062 0.892 0.852 0.975 0.600 CB 1.333 81 residues pruned to eliminate duplicates Z: 90 56.629 2.035 0.804 0.786 0.944 0.551 CB 1.348 90 residues pruned to eliminate duplicates Z: 176 87.304 2.061 0.867 0.784 0.960 0.469 CB 1.392 176 residues pruned to eliminate duplicates Z: 118 59.486 2.031 0.713 0.756 0.957 0.564 CB 1.315 118 residues pruned to eliminate duplicates Z: 80 61.234 2.067 0.919 0.860 0.987 0.620 CB 1.293 80 residues pruned to eliminate duplicates Z: 136 75.352 2.055 0.914 0.804 0.926 0.489 CB 1.365 148 residues pruned to eliminate duplicates Z: 28 16.906 1.727 0.339 0.926 1.000 0.889 CB 0.987 18 residues pruned to eliminate duplicates Z: 6 3.551 1.680 -0.011 0.859 1.000 0.800 CB 0.703 6 residues pruned to eliminate duplicates Z: 7 3.391 1.628 0.155 0.856 1.000 0.500 CB 0.543 7 residues pruned to eliminate duplicates Z: 6 2.650 1.636 0.489 0.868 1.000 1.000 CB 0.356 6 residues pruned to eliminate duplicates Z: 37 21.302 1.866 0.342 0.803 0.944 0.806 CB 1.151 36 residues pruned to eliminate duplicates Z: 6 3.887 1.595 0.540 0.862 1.000 0.600 CA 0.520 6 residues pruned to eliminate duplicates Z: 23 17.638 1.861 0.355 0.790 1.000 0.773 CB 1.156 23 residues pruned to eliminate duplicates Z: 28 16.171 1.757 0.433 0.644 0.963 0.667 CB 1.122 28 residues pruned to eliminate duplicates Z: 36 22.805 1.850 0.400 0.837 0.971 0.800 CB 1.146 36 residues pruned to eliminate duplicates Z: 18 20.757 1.935 0.635 0.800 1.000 0.882 CB 1.224 18 residues pruned to eliminate duplicates Z: 20 18.854 1.876 0.557 0.840 0.947 0.737 CB 1.166 20 residues pruned to eliminate duplicates Z: 19 16.858 1.904 0.526 0.785 0.944 0.667 CB 1.127 19 residues pruned to eliminate duplicates Z: 27 14.665 1.710 0.519 0.620 0.923 0.538 CB 1.071 27 residues pruned to eliminate duplicates Z: 34 24.334 1.879 0.571 0.852 0.970 0.697 CB 1.095 34 residues pruned to eliminate duplicates Z: 17 19.284 1.968 0.687 0.791 1.000 0.812 CB 1.124 17 residues pruned to eliminate duplicates Z: 25 18.446 1.794 0.638 0.716 0.917 0.708 CB 1.149 25 residues pruned to eliminate duplicates Z: 31 22.816 1.916 0.751 0.690 0.933 0.667 CB 1.118 31 residues pruned to eliminate duplicates Z: 36 26.002 1.869 0.629 0.797 0.971 0.857 CB 1.146 46 residues pruned to eliminate duplicates Z: 19 22.296 1.896 0.756 0.894 1.000 0.556 CB 1.132 19 residues pruned to eliminate duplicates Z: 24 18.724 1.852 0.721 0.694 0.957 0.696 CB 1.073 25 residues pruned to eliminate duplicates Z: 17 22.113 1.920 0.655 0.926 1.000 0.812 CB 1.220 17 residues pruned to eliminate duplicates Z: 23 19.510 1.834 0.775 0.686 0.909 0.545 CB 1.185 23 residues pruned to eliminate duplicates Z: 26 18.710 1.817 0.681 0.871 1.000 0.800 CB 0.894 18 residues pruned to eliminate duplicates Z: 39 25.171 1.836 0.580 0.852 0.974 0.737 CB 1.070 39 residues pruned to eliminate duplicates Z: 20 22.902 1.890 0.716 0.850 1.000 0.895 CB 1.200 20 residues pruned to eliminate duplicates Z: 37 23.402 1.832 0.608 0.796 0.944 0.750 CB 1.082 37 residues pruned to eliminate duplicates Z: 36 27.732 1.852 0.744 0.788 0.943 0.543 CB 1.195 36 residues pruned to eliminate duplicates Z: 35 26.641 1.860 0.772 0.777 0.912 0.735 CB 1.191 35 residues pruned to eliminate duplicates Z: 18 17.752 1.787 0.728 0.800 0.941 0.647 CB 1.139 18 residues pruned to eliminate duplicates Z: 12 14.378 1.936 0.424 0.768 0.909 0.818 CB 1.363 12 residues pruned to eliminate duplicates Z: 39 23.330 1.804 0.690 0.718 0.921 0.684 CB 1.106 39 residues pruned to eliminate duplicates Z: 13 14.560 1.826 0.550 0.723 0.917 0.750 CB 1.325 13 residues pruned to eliminate duplicates Z: 14 14.654 1.754 0.721 0.702 0.923 0.692 CB 1.214 14 residues pruned to eliminate duplicates Z: 15 9.978 1.783 0.655 0.583 0.714 0.571 CB 1.167 15 residues pruned to eliminate duplicates Z: 33 23.285 1.842 0.816 0.715 0.906 0.688 CB 1.118 33 residues pruned to eliminate duplicates Z: 15 18.624 1.885 0.752 0.926 0.929 0.714 CB 1.138 15 residues pruned to eliminate duplicates Z: 36 25.109 1.837 0.795 0.763 0.943 0.543 CB 1.081 36 residues pruned to eliminate duplicates Z: 16 19.562 1.814 0.766 0.900 1.000 0.733 CB 1.126 16 residues pruned to eliminate duplicates Z: 19 17.540 1.705 0.752 0.825 1.000 0.778 CB 1.044 19 residues pruned to eliminate duplicates Z: 16 20.784 1.818 0.867 0.916 1.000 0.467 CB 1.116 15 residues pruned to eliminate duplicates Z: 22 20.714 1.789 0.791 0.893 0.952 0.810 CB 1.064 22 residues pruned to eliminate duplicates Z: 16 22.790 1.831 0.966 0.928 1.000 0.733 CB 1.144 16 residues pruned to eliminate duplicates Z: 29 35.618 2.034 0.624 0.937 1.000 0.893 CB 1.419 29 residues pruned to eliminate duplicates Z: 86 52.132 2.019 0.674 0.755 0.941 0.753 CB 1.417 82 residues pruned to eliminate duplicates Z: 29 37.289 2.029 0.712 0.932 1.000 0.821 CB 1.417 29 residues pruned to eliminate duplicates Z: 90 52.221 2.033 0.663 0.771 0.955 0.708 CB 1.348 90 residues pruned to eliminate duplicates Z: 28 35.299 2.083 0.568 0.937 1.000 0.741 CB 1.447 28 residues pruned to eliminate duplicates Z: 25 35.642 2.137 0.868 0.862 0.958 0.750 CB 1.396 25 residues pruned to eliminate duplicates Z: 24 41.405 2.159 0.795 0.939 1.000 0.739 CB 1.549 24 residues pruned to eliminate duplicates Z: 129 72.427 2.058 0.775 0.766 0.969 0.500 CB 1.430 129 residues pruned to eliminate duplicates Z: 48 38.254 2.072 0.636 0.738 0.979 0.638 CB 1.359 48 residues pruned to eliminate duplicates Z: 83 41.458 2.005 0.623 0.722 0.927 0.622 CB 1.243 83 residues pruned to eliminate duplicates Z: 178 84.388 2.056 0.761 0.791 0.949 0.542 CB 1.429 178 residues pruned to eliminate duplicates Z: 113 55.728 2.034 0.703 0.729 0.929 0.643 CB 1.332 113 residues pruned to eliminate duplicates Z: 29 32.728 2.043 0.891 0.735 0.893 0.536 CB 1.452 29 residues pruned to eliminate duplicates Z: 28 37.476 2.077 0.830 0.895 1.000 0.593 CB 1.360 28 residues pruned to eliminate duplicates Z: 23 42.179 2.175 0.881 0.952 1.000 0.773 CB 1.514 23 residues pruned to eliminate duplicates Z: 90 50.389 2.032 0.668 0.754 0.921 0.674 CB 1.364 90 residues pruned to eliminate duplicates Z: 84 56.466 2.081 0.798 0.755 0.940 0.506 CB 1.404 84 residues pruned to eliminate duplicates Z: 29 32.147 2.083 0.893 0.761 0.893 0.500 CB 1.368 29 residues pruned to eliminate duplicates Z: 30 35.979 2.056 0.870 0.866 0.897 0.586 CB 1.419 30 residues pruned to eliminate duplicates Z: 49 35.685 2.069 0.612 0.725 0.917 0.542 CB 1.375 49 residues pruned to eliminate duplicates Z: 154 81.866 2.048 0.804 0.780 0.974 0.608 CB 1.437 154 residues pruned to eliminate duplicates Z: 59 43.283 2.038 0.734 0.828 0.931 0.552 CB 1.300 59 residues pruned to eliminate duplicates Z: 83 47.062 1.998 0.658 0.774 0.939 0.585 CB 1.311 83 residues pruned to eliminate duplicates Z: 53 34.132 2.022 0.600 0.736 0.923 0.519 CB 1.283 53 residues pruned to eliminate duplicates 313 residues left after pruning, divided into chains as follows: A: 14 B: 63 C: 47 D: 189 CC for partial structure against native data = 42.20 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.353, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.400, Connect. = 0.726 for dens.mod. cycle 2 = 0.300, Contrast = 0.473, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.476, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.482, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.486, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.491, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.494, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.497, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.499, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1666 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 387 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 27.554 2.031 0.737 0.901 0.917 0.750 CB 1.241 B: 29 39.649 2.112 0.622 0.890 1.000 0.893 CA 1.573 C: 24 39.241 2.074 0.953 0.930 0.957 0.826 CA 1.477 D: 30 33.931 1.991 0.642 0.897 1.000 0.759 CB 1.379 E: 28 31.079 2.045 0.476 0.933 1.000 1.000 CB 1.383 30 residues pruned to eliminate duplicates F: 28 31.534 2.060 0.440 0.918 1.000 0.889 CB 1.443 28 residues pruned to eliminate duplicates G: 27 33.611 2.082 0.642 0.950 0.962 0.538 CB 1.383 27 residues pruned to eliminate duplicates H: 22 29.446 2.099 0.628 0.903 0.952 0.857 CB 1.407 I: 25 32.419 2.132 0.453 0.943 1.000 0.875 CB 1.481 25 residues pruned to eliminate duplicates J: 26 32.829 2.066 0.566 0.931 0.960 0.920 CB 1.478 26 residues pruned to eliminate duplicates K: 25 36.122 2.033 0.755 0.911 0.958 0.667 CA 1.528 24 residues pruned to eliminate duplicates L: 30 28.325 1.939 0.594 0.789 0.862 0.724 CB 1.532 30 residues pruned to eliminate duplicates M: 29 41.094 2.138 0.646 0.939 1.000 0.786 CA 1.534 N: 23 30.354 2.065 0.568 0.927 1.000 0.909 CA 1.401 22 residues pruned to eliminate duplicates O: 23 37.090 2.065 1.045 0.926 1.000 0.864 CB 1.313 23 residues pruned to eliminate duplicates P: 21 33.848 2.139 0.946 0.945 0.950 0.850 CB 1.325 21 residues pruned to eliminate duplicates Q: 38 29.704 1.852 0.683 0.866 0.919 0.378 CB 1.249 R: 30 39.924 2.038 0.851 0.878 0.862 0.483 CA 1.655 31 residues pruned to eliminate duplicates S: 14 16.170 1.804 0.634 0.742 0.923 0.692 CB 1.328 14 residues pruned to eliminate duplicates T: 25 34.339 2.065 0.603 0.947 1.000 0.958 CA 1.463 25 residues pruned to eliminate duplicates U: 30 41.733 2.090 0.896 0.867 0.931 0.724 CB 1.537 29 residues pruned to eliminate duplicates V: 24 32.799 2.058 0.619 0.918 0.957 0.739 CA 1.513 24 residues pruned to eliminate duplicates W: 25 45.046 2.016 1.071 0.948 1.000 0.375 CA 1.521 25 residues pruned to eliminate duplicates X: 24 40.840 2.078 0.889 0.918 0.957 0.565 CA 1.599 24 residues pruned to eliminate duplicates Y: 29 42.895 2.148 0.799 0.912 0.964 0.750 CA 1.540 28 residues pruned to eliminate duplicates Z: 29 30.436 2.002 0.585 0.925 1.000 0.714 CB 1.272 25 residues pruned to eliminate duplicates Z: 30 30.178 1.986 0.724 0.908 0.931 0.724 CB 1.249 30 residues pruned to eliminate duplicates Z: 10 12.450 1.990 0.274 0.889 1.000 0.667 CA 1.178 Z: 24 37.449 2.087 0.765 0.945 1.000 0.783 CA 1.466 25 residues pruned to eliminate duplicates Z: 22 39.311 2.151 1.045 0.936 1.000 0.857 CB 1.358 23 residues pruned to eliminate duplicates Z: 28 33.704 2.062 0.534 0.925 1.000 0.889 CB 1.438 28 residues pruned to eliminate duplicates Z: 28 38.558 2.104 0.858 0.922 0.815 0.370 CA 1.638 28 residues pruned to eliminate duplicates Z: 19 29.871 2.071 0.769 0.880 1.000 0.944 CA 1.392 19 residues pruned to eliminate duplicates Z: 29 26.399 2.059 0.210 0.902 0.964 0.929 CA 1.481 29 residues pruned to eliminate duplicates Z: 28 34.881 2.107 0.493 0.928 1.000 0.889 CA 1.495 28 residues pruned to eliminate duplicates Z: 25 46.234 2.185 0.858 0.935 0.958 0.458 CA 1.690 25 residues pruned to eliminate duplicates Z: 28 48.077 2.127 1.074 0.920 0.889 0.259 CB 1.662 28 residues pruned to eliminate duplicates Z: 23 29.570 2.080 0.683 0.936 0.864 0.409 CB 1.453 23 residues pruned to eliminate duplicates Z: 17 20.839 1.924 0.666 0.897 0.875 0.375 CB 1.329 19 residues pruned to eliminate duplicates Z: 30 34.532 2.093 0.450 0.866 1.000 0.828 CA 1.546 20 residues pruned to eliminate duplicates Z: 27 44.289 2.067 0.952 0.950 1.000 0.692 CB 1.485 27 residues pruned to eliminate duplicates Z: 27 30.764 1.898 0.666 0.896 1.000 0.462 CB 1.367 27 residues pruned to eliminate duplicates Z: 30 51.314 2.054 1.185 0.921 0.966 0.552 CB 1.547 29 residues pruned to eliminate duplicates Z: 29 46.262 2.159 0.791 0.943 1.000 0.786 CA 1.567 29 residues pruned to eliminate duplicates Z: 27 38.622 2.105 0.746 0.938 1.000 0.615 CB 1.434 27 residues pruned to eliminate duplicates Z: 30 38.631 2.058 0.680 0.920 1.000 0.793 CA 1.461 30 residues pruned to eliminate duplicates Z: 25 26.844 1.983 0.380 0.924 1.000 0.917 CA 1.406 25 residues pruned to eliminate duplicates Z: 29 48.810 2.129 0.851 0.922 1.000 0.464 CA 1.646 29 residues pruned to eliminate duplicates Z: 13 23.165 2.098 0.509 0.936 1.000 0.833 CB 1.470 13 residues pruned to eliminate duplicates Z: 27 35.595 2.067 0.579 0.940 1.000 0.808 CB 1.485 27 residues pruned to eliminate duplicates Z: 22 28.557 2.091 0.488 0.935 1.000 0.905 CB 1.396 21 residues pruned to eliminate duplicates Z: 17 31.823 2.121 0.670 0.944 1.000 0.625 CA 1.555 17 residues pruned to eliminate duplicates Z: 30 27.583 1.969 0.824 0.873 0.897 0.379 CB 1.159 30 residues pruned to eliminate duplicates Z: 29 27.316 2.015 0.551 0.930 0.929 0.786 CB 1.244 29 residues pruned to eliminate duplicates Z: 23 31.463 2.081 0.629 0.929 1.000 0.909 CA 1.385 23 residues pruned to eliminate duplicates Z: 19 25.543 1.864 0.882 0.858 1.000 0.722 CA 1.264 Z: 10 12.179 2.057 0.066 0.876 1.000 0.778 CB 1.345 9 residues pruned to eliminate duplicates Z: 25 37.548 1.956 0.922 0.945 0.917 0.333 CB 1.539 25 residues pruned to eliminate duplicates Z: 28 29.859 1.883 0.726 0.933 0.963 0.519 CB 1.281 28 residues pruned to eliminate duplicates Z: 23 42.316 2.089 1.076 0.942 0.909 0.273 CA 1.586 23 residues pruned to eliminate duplicates Z: 21 37.475 2.153 0.986 0.948 1.000 0.900 CB 1.353 21 residues pruned to eliminate duplicates Z: 31 27.164 1.970 0.381 0.862 0.967 0.800 CB 1.385 31 residues pruned to eliminate duplicates Z: 25 20.760 1.862 0.876 0.896 0.833 0.667 CB 1.043 18 residues pruned to eliminate duplicates Z: 30 29.865 1.973 0.666 0.904 0.931 0.655 CB 1.291 30 residues pruned to eliminate duplicates Z: 28 26.445 1.897 0.691 0.887 0.889 0.481 CB 1.287 28 residues pruned to eliminate duplicates Z: 25 35.613 2.016 0.683 0.949 1.000 0.833 CA 1.480 24 residues pruned to eliminate duplicates Z: 11 11.968 1.966 0.348 0.823 0.900 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 11 16.405 1.920 0.653 0.785 0.800 0.400 CB 1.590 12 residues pruned to eliminate duplicates Z: 28 36.954 2.105 0.705 0.911 0.852 0.407 CA 1.649 28 residues pruned to eliminate duplicates Z: 11 14.917 1.940 1.131 0.835 0.800 0.500 CB 1.069 11 residues pruned to eliminate duplicates Z: 70 53.491 2.101 0.614 0.779 0.986 0.870 CA 1.507 63 residues pruned to eliminate duplicates Z: 30 30.054 1.971 0.646 0.916 0.966 0.655 CB 1.258 30 residues pruned to eliminate duplicates Z: 30 25.196 1.956 0.371 0.906 0.931 0.690 CB 1.333 30 residues pruned to eliminate duplicates Z: 30 28.143 2.023 0.395 0.876 0.931 0.793 CA 1.447 30 residues pruned to eliminate duplicates Z: 29 26.234 1.869 0.452 0.892 1.000 0.714 CB 1.312 29 residues pruned to eliminate duplicates Z: 28 34.024 2.059 0.638 0.923 1.000 0.667 CB 1.364 28 residues pruned to eliminate duplicates Z: 31 24.925 1.937 0.445 0.906 0.933 0.667 CB 1.239 31 residues pruned to eliminate duplicates Z: 28 39.828 2.127 0.600 0.929 1.000 0.815 CA 1.576 28 residues pruned to eliminate duplicates Z: 29 29.657 1.896 0.497 0.914 1.000 0.929 CA 1.396 29 residues pruned to eliminate duplicates Z: 27 35.424 1.975 0.806 0.940 0.962 0.423 CB 1.406 27 residues pruned to eliminate duplicates Z: 30 41.972 2.036 0.978 0.866 0.931 0.414 CB 1.522 30 residues pruned to eliminate duplicates Z: 30 26.889 1.978 0.470 0.906 0.966 0.655 CB 1.266 30 residues pruned to eliminate duplicates Z: 31 24.550 1.935 0.427 0.903 0.933 0.767 CB 1.239 31 residues pruned to eliminate duplicates Z: 31 25.403 1.904 0.462 0.874 0.933 0.867 CB 1.299 31 residues pruned to eliminate duplicates Z: 26 37.842 2.074 0.912 0.921 0.840 0.320 CA 1.599 26 residues pruned to eliminate duplicates Z: 25 27.195 2.029 0.449 0.909 0.958 0.958 CA 1.398 25 residues pruned to eliminate duplicates Z: 28 42.304 2.097 0.958 0.916 0.963 0.593 CB 1.455 28 residues pruned to eliminate duplicates Z: 29 31.917 2.074 0.441 0.939 1.000 0.929 CA 1.403 29 residues pruned to eliminate duplicates Z: 21 14.925 1.786 0.351 0.894 0.950 0.900 CB 1.045 Z: 27 30.992 1.931 0.637 0.944 1.000 0.769 CB 1.331 27 residues pruned to eliminate duplicates Z: 28 43.854 2.121 0.973 0.920 0.889 0.222 CA 1.598 28 residues pruned to eliminate duplicates Z: 30 25.592 1.980 0.429 0.893 0.897 0.828 CB 1.345 30 residues pruned to eliminate duplicates Z: 10 19.529 1.904 0.570 0.864 1.000 0.778 CA 1.597 10 residues pruned to eliminate duplicates Z: 29 47.420 2.121 0.823 0.954 1.000 0.607 CA 1.595 29 residues pruned to eliminate duplicates Z: 35 37.638 2.056 0.479 0.874 0.971 0.794 CA 1.593 35 residues pruned to eliminate duplicates Z: 27 45.365 2.093 0.882 0.939 1.000 0.731 CB 1.570 27 residues pruned to eliminate duplicates Z: 19 21.545 2.048 0.370 0.884 1.000 0.889 CA 1.308 19 residues pruned to eliminate duplicates Z: 26 39.165 2.067 0.861 0.942 0.960 0.520 CB 1.471 26 residues pruned to eliminate duplicates Z: 17 25.481 1.934 0.845 0.936 1.000 0.938 CB 1.244 17 residues pruned to eliminate duplicates Z: 27 39.476 2.074 0.665 0.929 1.000 0.731 CB 1.569 27 residues pruned to eliminate duplicates Z: 22 35.084 2.080 1.044 0.945 1.000 0.905 CB 1.246 22 residues pruned to eliminate duplicates Z: 28 52.163 2.129 1.029 0.933 0.963 0.296 CB 1.684 28 residues pruned to eliminate duplicates Z: 99 66.827 2.054 0.822 0.763 0.980 0.541 CB 1.457 87 residues pruned to eliminate duplicates Z: 18 24.090 1.919 0.876 0.854 1.000 0.765 CB 1.198 19 residues pruned to eliminate duplicates Z: 25 13.747 1.940 0.217 0.565 0.875 0.500 CB 1.275 25 residues pruned to eliminate duplicates Z: 25 32.411 1.981 0.674 0.936 0.958 0.708 CA 1.450 25 residues pruned to eliminate duplicates Z: 20 35.389 2.137 1.093 0.939 1.000 0.895 CB 1.261 20 residues pruned to eliminate duplicates Z: 22 27.000 1.818 0.838 0.915 0.952 0.524 CB 1.308 22 residues pruned to eliminate duplicates Z: 28 46.506 2.143 0.762 0.959 1.000 0.741 CA 1.624 28 residues pruned to eliminate duplicates Z: 20 14.377 1.965 0.253 0.696 0.947 0.579 CB 1.182 20 residues pruned to eliminate duplicates Z: 25 38.609 1.996 0.896 0.940 1.000 0.333 CB 1.446 25 residues pruned to eliminate duplicates Z: 23 30.927 2.080 0.651 0.948 1.000 0.864 CB 1.326 23 residues pruned to eliminate duplicates Z: 31 26.637 1.924 0.691 0.859 0.900 0.467 CB 1.222 31 residues pruned to eliminate duplicates Z: 36 34.980 2.046 0.349 0.894 1.000 0.886 CA 1.537 36 residues pruned to eliminate duplicates Z: 34 29.890 1.904 0.581 0.841 0.970 0.636 CB 1.329 34 residues pruned to eliminate duplicates Z: 24 30.577 2.031 0.521 0.932 1.000 0.870 CA 1.442 24 residues pruned to eliminate duplicates Z: 29 35.214 2.103 0.449 0.914 1.000 0.857 CA 1.545 29 residues pruned to eliminate duplicates Z: 25 42.045 2.038 0.947 0.947 1.000 0.583 CA 1.494 25 residues pruned to eliminate duplicates Z: 24 31.890 2.045 0.666 0.941 1.000 0.826 CA 1.354 24 residues pruned to eliminate duplicates Z: 28 37.041 2.067 0.717 0.926 1.000 0.852 CA 1.409 28 residues pruned to eliminate duplicates Z: 27 36.187 2.099 0.676 0.922 1.000 0.731 CB 1.418 27 residues pruned to eliminate duplicates Z: 32 27.064 1.903 0.623 0.895 0.903 0.645 CB 1.249 32 residues pruned to eliminate duplicates Z: 22 28.538 2.093 0.640 0.951 0.952 0.857 CB 1.313 22 residues pruned to eliminate duplicates Z: 29 26.916 1.973 0.674 0.915 0.929 0.393 CB 1.172 29 residues pruned to eliminate duplicates Z: 30 22.632 1.895 0.343 0.874 0.897 0.793 CB 1.341 30 residues pruned to eliminate duplicates Z: 29 34.068 2.103 0.501 0.929 1.000 1.000 CA 1.427 29 residues pruned to eliminate duplicates Z: 22 39.972 2.115 1.229 0.938 0.952 0.762 CB 1.351 23 residues pruned to eliminate duplicates Z: 11 12.997 1.938 0.600 0.791 0.900 0.400 CA 1.140 11 residues pruned to eliminate duplicates Z: 29 33.358 2.050 0.625 0.924 0.929 0.536 CB 1.431 29 residues pruned to eliminate duplicates Z: 11 11.488 1.901 0.306 0.841 1.000 0.700 CB 1.091 Z: 27 20.653 1.997 0.471 0.597 0.923 0.423 CB 1.361 28 residues pruned to eliminate duplicates Z: 21 15.831 1.759 0.487 0.899 0.950 0.700 CB 1.019 21 residues pruned to eliminate duplicates Z: 20 14.938 1.822 0.419 0.888 0.947 0.842 CB 1.008 20 residues pruned to eliminate duplicates Z: 28 42.479 2.076 0.899 0.944 1.000 0.667 CB 1.436 28 residues pruned to eliminate duplicates Z: 23 35.206 2.081 1.108 0.907 0.955 0.773 CB 1.274 22 residues pruned to eliminate duplicates Z: 23 43.802 2.145 0.934 0.915 1.000 0.591 CA 1.592 23 residues pruned to eliminate duplicates Z: 27 34.765 2.004 0.881 0.913 0.885 0.462 CB 1.447 27 residues pruned to eliminate duplicates Z: 13 24.706 2.056 0.717 0.936 1.000 0.583 CB 1.406 13 residues pruned to eliminate duplicates Z: 22 36.849 2.151 0.945 0.931 0.952 0.905 CB 1.409 23 residues pruned to eliminate duplicates Z: 21 11.672 1.764 0.184 0.854 0.900 0.700 CB 1.026 21 residues pruned to eliminate duplicates Z: 17 33.369 2.118 0.836 0.924 1.000 0.688 CB 1.507 17 residues pruned to eliminate duplicates Z: 28 38.684 2.084 0.809 0.928 1.000 0.593 CB 1.383 28 residues pruned to eliminate duplicates Z: 21 13.896 1.740 0.312 0.889 0.950 0.850 CB 1.032 21 residues pruned to eliminate duplicates Z: 100 64.980 2.066 0.803 0.736 0.970 0.455 CB 1.463 100 residues pruned to eliminate duplicates Z: 28 36.706 2.071 0.799 0.914 0.963 0.556 CB 1.392 28 residues pruned to eliminate duplicates Z: 27 38.721 2.072 0.684 0.930 1.000 0.769 CB 1.522 27 residues pruned to eliminate duplicates Z: 27 35.826 2.108 0.759 0.912 0.962 0.615 CB 1.396 27 residues pruned to eliminate duplicates Z: 26 26.121 1.790 0.977 0.892 1.000 0.600 CB 1.061 26 residues pruned to eliminate duplicates Z: 25 35.865 2.001 0.704 0.949 0.958 0.542 CA 1.546 25 residues pruned to eliminate duplicates Z: 27 29.397 1.938 0.523 0.928 1.000 0.423 CA 1.367 27 residues pruned to eliminate duplicates Z: 27 28.951 2.006 0.414 0.923 0.962 0.846 CA 1.463 27 residues pruned to eliminate duplicates Z: 28 29.882 2.052 0.451 0.934 1.000 0.889 CA 1.347 28 residues pruned to eliminate duplicates Z: 12 11.265 1.784 0.277 0.815 1.000 0.636 CB 1.134 12 residues pruned to eliminate duplicates Z: 26 27.333 1.949 0.680 0.892 0.920 0.680 CA 1.304 26 residues pruned to eliminate duplicates Z: 27 24.899 1.923 0.374 0.919 0.962 0.885 CB 1.355 27 residues pruned to eliminate duplicates Z: 28 24.521 1.835 0.576 0.919 0.926 0.556 CB 1.241 28 residues pruned to eliminate duplicates Z: 21 16.411 1.783 0.578 0.882 0.950 0.800 CB 0.993 21 residues pruned to eliminate duplicates Z: 27 40.074 2.104 0.921 0.942 0.923 0.692 CB 1.461 27 residues pruned to eliminate duplicates Z: 27 30.704 2.072 0.473 0.919 0.962 0.731 CB 1.446 27 residues pruned to eliminate duplicates Z: 21 12.968 1.763 0.194 0.864 0.950 0.700 CB 1.063 21 residues pruned to eliminate duplicates Z: 10 17.529 2.076 0.498 0.867 1.000 0.444 CB 1.375 10 residues pruned to eliminate duplicates Z: 25 39.096 2.038 0.865 0.945 1.000 0.667 CA 1.453 25 residues pruned to eliminate duplicates Z: 27 25.624 1.986 0.603 0.907 0.923 0.538 CB 1.216 27 residues pruned to eliminate duplicates Z: 29 27.837 1.993 0.728 0.909 0.857 0.429 CB 1.265 29 residues pruned to eliminate duplicates Z: 20 24.470 1.955 0.581 0.941 0.947 0.842 CA 1.331 20 residues pruned to eliminate duplicates Z: 23 33.726 1.957 0.744 0.947 0.955 0.773 CB 1.525 23 residues pruned to eliminate duplicates Z: 10 13.933 2.031 0.446 0.866 1.000 0.556 CA 1.158 10 residues pruned to eliminate duplicates Z: 16 27.144 1.978 0.974 0.895 1.000 0.733 CB 1.287 16 residues pruned to eliminate duplicates Z: 12 12.716 1.887 0.390 0.857 1.000 0.545 CA 1.077 12 residues pruned to eliminate duplicates Z: 17 20.814 1.919 0.735 0.936 0.812 0.500 CA 1.339 16 residues pruned to eliminate duplicates Z: 39 36.332 2.008 0.554 0.846 0.921 0.763 CB 1.524 39 residues pruned to eliminate duplicates Z: 26 19.892 1.841 0.544 0.866 0.960 0.760 CB 1.067 26 residues pruned to eliminate duplicates Z: 15 11.386 1.778 0.484 0.397 1.000 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 16 20.329 1.938 0.602 0.916 1.000 0.867 CA 1.194 16 residues pruned to eliminate duplicates Z: 11 14.663 2.021 0.555 0.805 0.900 0.500 CA 1.256 11 residues pruned to eliminate duplicates Z: 31 24.092 1.930 0.484 0.895 0.933 0.567 CB 1.180 31 residues pruned to eliminate duplicates Z: 14 19.607 1.884 0.588 0.923 1.000 0.769 CB 1.277 14 residues pruned to eliminate duplicates Z: 12 11.596 1.768 0.282 0.807 1.000 0.909 CB 1.180 11 residues pruned to eliminate duplicates Z: 14 9.782 1.761 0.348 0.724 1.000 0.846 CB 0.934 14 residues pruned to eliminate duplicates Z: 17 13.240 1.743 0.400 0.893 0.938 0.625 CB 1.039 17 residues pruned to eliminate duplicates Z: 31 30.671 1.908 0.736 0.923 0.967 0.533 CB 1.229 30 residues pruned to eliminate duplicates Z: 25 16.072 1.490 0.635 0.906 0.958 0.583 CA 0.999 Z: 10 18.534 1.875 0.703 0.826 1.000 0.667 CA 1.460 10 residues pruned to eliminate duplicates Z: 27 33.579 2.104 0.477 0.930 1.000 0.808 CB 1.481 27 residues pruned to eliminate duplicates Z: 29 31.951 2.035 0.503 0.883 0.964 0.786 CA 1.480 29 residues pruned to eliminate duplicates Z: 28 26.217 1.992 0.582 0.890 0.926 0.704 CB 1.244 28 residues pruned to eliminate duplicates Z: 12 11.600 1.868 0.311 0.889 1.000 0.636 CA 1.028 12 residues pruned to eliminate duplicates Z: 9 8.111 1.708 0.344 0.848 0.875 0.875 CA 1.059 9 residues pruned to eliminate duplicates Z: 21 30.445 2.111 0.917 0.938 0.950 0.700 CB 1.231 21 residues pruned to eliminate duplicates Z: 30 22.861 1.919 0.315 0.892 0.966 0.793 CB 1.252 30 residues pruned to eliminate duplicates Z: 20 16.671 1.816 0.634 0.899 0.895 0.789 CB 1.030 20 residues pruned to eliminate duplicates Z: 17 8.905 1.712 0.515 0.364 1.000 0.500 CB 0.994 17 residues pruned to eliminate duplicates Z: 30 27.577 1.923 0.603 0.919 0.966 0.793 CB 1.213 30 residues pruned to eliminate duplicates Z: 27 40.719 2.050 1.004 0.940 1.000 0.423 CB 1.349 27 residues pruned to eliminate duplicates Z: 11 6.978 1.806 0.111 0.825 0.900 0.700 CB 0.922 11 residues pruned to eliminate duplicates Z: 27 31.540 2.027 0.425 0.945 1.000 1.000 CA 1.481 27 residues pruned to eliminate duplicates Z: 39 27.816 1.862 0.612 0.841 0.974 0.526 CB 1.152 39 residues pruned to eliminate duplicates Z: 37 24.308 1.752 0.348 0.884 1.000 0.806 CB 1.240 37 residues pruned to eliminate duplicates Z: 28 29.981 2.080 0.430 0.928 0.926 0.778 CB 1.467 28 residues pruned to eliminate duplicates Z: 21 18.285 1.763 0.823 0.884 0.900 0.700 CB 1.021 21 residues pruned to eliminate duplicates Z: 61 47.679 2.061 0.587 0.764 0.967 0.750 CB 1.541 61 residues pruned to eliminate duplicates Z: 25 39.737 1.962 0.965 0.938 1.000 0.167 CB 1.463 25 residues pruned to eliminate duplicates Z: 30 25.479 1.928 0.444 0.843 0.931 0.793 CB 1.359 30 residues pruned to eliminate duplicates Z: 55 47.367 2.045 0.858 0.862 0.981 0.685 CB 1.269 56 residues pruned to eliminate duplicates 6 1.286 1.361 0.853 0.479 1.000 0.800 CB 0.233 ? Z: 24 37.040 2.046 0.872 0.915 0.913 0.609 CA 1.561 24 residues pruned to eliminate duplicates Z: 19 13.046 1.801 0.296 0.902 0.944 0.833 CB 0.995 19 residues pruned to eliminate duplicates Z: 23 34.706 1.972 0.891 0.918 1.000 0.773 CA 1.400 23 residues pruned to eliminate duplicates Z: 25 41.825 2.117 0.946 0.953 1.000 0.583 CB 1.426 25 residues pruned to eliminate duplicates Z: 19 13.447 1.579 0.357 0.902 0.944 0.833 CB 1.117 18 residues pruned to eliminate duplicates Z: 25 24.035 1.865 0.647 0.884 1.000 0.625 CB 1.155 25 residues pruned to eliminate duplicates Z: 9 10.331 1.874 0.554 0.815 0.625 0.500 CA 1.525 9 residues pruned to eliminate duplicates Z: 28 26.544 1.902 0.487 0.929 0.963 0.852 CB 1.313 28 residues pruned to eliminate duplicates Z: 29 40.185 1.928 0.853 0.916 1.000 0.464 CB 1.501 29 residues pruned to eliminate duplicates Z: 22 26.008 2.063 0.381 0.936 1.000 1.000 CA 1.388 22 residues pruned to eliminate duplicates Z: 11 6.976 1.420 0.383 0.821 1.000 0.700 CB 0.850 10 residues pruned to eliminate duplicates Z: 13 17.789 2.008 0.334 0.862 1.000 0.583 CB 1.407 13 residues pruned to eliminate duplicates Z: 19 26.924 1.904 1.050 0.876 1.000 0.389 CB 1.182 19 residues pruned to eliminate duplicates Z: 11 15.465 1.906 0.723 0.645 0.900 0.600 CB 1.445 11 residues pruned to eliminate duplicates Z: 28 22.986 1.856 0.330 0.926 1.000 0.778 CA 1.257 28 residues pruned to eliminate duplicates Z: 28 28.751 2.007 0.663 0.942 0.926 0.667 CB 1.241 28 residues pruned to eliminate duplicates Z: 10 9.590 1.611 0.537 0.877 1.000 1.000 CB 0.937 10 residues pruned to eliminate duplicates Z: 19 15.700 1.613 0.659 0.920 1.000 0.833 CA 0.974 20 residues pruned to eliminate duplicates Z: 23 27.620 1.938 0.643 0.916 0.955 0.591 CA 1.368 23 residues pruned to eliminate duplicates Z: 23 31.404 2.060 0.858 0.925 0.955 0.864 CB 1.286 23 residues pruned to eliminate duplicates Z: 23 31.142 2.076 0.807 0.916 0.955 0.864 CA 1.309 23 residues pruned to eliminate duplicates Z: 16 7.811 1.493 0.492 0.590 0.867 0.600 CB 0.958 14 residues pruned to eliminate duplicates Z: 17 17.890 1.637 0.744 0.909 0.938 0.562 CA 1.186 16 residues pruned to eliminate duplicates Z: 28 32.524 1.955 0.558 0.946 1.000 0.741 CA 1.422 28 residues pruned to eliminate duplicates Z: 13 8.543 1.747 0.312 0.726 0.917 0.583 CB 0.958 15 residues pruned to eliminate duplicates Z: 21 11.783 1.611 0.416 0.554 0.950 0.750 CB 1.154 12 residues pruned to eliminate duplicates Z: 11 15.223 2.017 0.455 0.830 1.000 0.600 CA 1.233 11 residues pruned to eliminate duplicates Z: 14 15.529 1.792 0.594 0.718 0.923 0.846 CA 1.341 14 residues pruned to eliminate duplicates Z: 10 11.342 1.934 0.096 0.828 0.889 0.778 CA 1.511 10 residues pruned to eliminate duplicates 6 1.703 1.570 0.315 0.492 0.600 0.600 CB 0.620 ? Z: 21 16.408 1.755 0.533 0.901 0.950 0.800 CB 1.025 21 residues pruned to eliminate duplicates 6 1.137 1.411 -0.006 0.341 0.400 0.400 CB 1.078 ? Z: 10 10.323 1.829 0.785 0.391 1.000 0.778 CB 1.183 10 residues pruned to eliminate duplicates Z: 21 12.714 1.845 0.346 0.619 0.900 0.450 CB 1.136 21 residues pruned to eliminate duplicates Z: 10 7.396 1.556 0.661 0.886 1.000 1.000 CB 0.689 10 residues pruned to eliminate duplicates Z: 11 13.844 1.893 0.801 0.846 0.900 0.200 CB 1.060 11 residues pruned to eliminate duplicates Z: 28 30.905 1.943 0.665 0.899 1.000 0.407 CB 1.314 28 residues pruned to eliminate duplicates Z: 49 30.761 2.006 0.389 0.703 0.958 0.771 CB 1.382 49 residues pruned to eliminate duplicates Z: 18 15.175 1.526 0.778 0.909 0.941 0.529 CA 1.023 18 residues pruned to eliminate duplicates Z: 13 8.149 1.751 0.248 0.766 0.833 0.750 CB 1.020 13 residues pruned to eliminate duplicates Z: 50 37.995 1.963 0.689 0.765 0.939 0.510 CB 1.379 50 residues pruned to eliminate duplicates Z: 26 38.291 2.158 0.702 0.915 1.000 0.840 CB 1.474 26 residues pruned to eliminate duplicates Z: 13 14.261 1.586 0.725 0.807 1.000 0.750 CA 1.151 13 residues pruned to eliminate duplicates Z: 6 2.776 1.308 0.833 0.257 0.800 0.600 C 0.855 Z: 17 21.955 1.908 0.867 0.898 0.938 0.750 CA 1.176 17 residues pruned to eliminate duplicates Z: 6 2.155 1.327 0.401 0.291 1.000 0.400 N 0.655 6 residues pruned to eliminate duplicates Z: 30 27.389 1.824 0.633 0.891 1.000 0.793 CB 1.227 30 residues pruned to eliminate duplicates Z: 12 13.364 1.867 0.549 0.850 1.000 0.545 CA 1.032 12 residues pruned to eliminate duplicates Z: 27 39.886 2.047 0.804 0.926 1.000 0.615 CB 1.486 27 residues pruned to eliminate duplicates Z: 36 16.560 1.960 0.292 0.500 0.857 0.457 CB 1.289 36 residues pruned to eliminate duplicates Z: 6 3.439 1.386 0.417 0.405 0.800 0.400 CB 1.081 Z: 17 12.876 1.621 0.470 0.939 1.000 0.875 CA 0.939 17 residues pruned to eliminate duplicates Z: 8 2.716 1.382 0.199 0.292 1.000 0.571 CB 0.782 Z: 17 15.783 1.606 0.648 0.888 1.000 1.000 CA 1.074 17 residues pruned to eliminate duplicates Z: 86 58.494 2.016 0.890 0.748 0.918 0.447 CB 1.453 86 residues pruned to eliminate duplicates Z: 30 23.028 1.933 0.443 0.885 0.897 0.621 CB 1.234 30 residues pruned to eliminate duplicates Z: 12 11.306 1.590 0.522 0.863 1.000 1.000 CB 1.033 12 residues pruned to eliminate duplicates Z: 22 34.487 2.095 1.112 0.942 0.952 0.810 CB 1.239 22 residues pruned to eliminate duplicates Z: 21 21.667 1.875 0.798 0.786 0.950 0.650 CB 1.177 21 residues pruned to eliminate duplicates Z: 18 23.484 2.046 0.537 0.914 0.941 0.882 CB 1.361 18 residues pruned to eliminate duplicates 6 1.605 1.314 -0.014 0.471 0.800 0.400 CB 0.713 ? Z: 25 37.953 2.110 0.841 0.946 1.000 0.833 CB 1.380 25 residues pruned to eliminate duplicates Z: 75 35.348 1.938 0.577 0.606 0.932 0.432 CB 1.303 75 residues pruned to eliminate duplicates Z: 27 40.687 2.118 0.894 0.936 1.000 0.692 CB 1.386 27 residues pruned to eliminate duplicates Z: 15 23.792 2.049 0.801 0.899 0.929 0.643 CB 1.327 15 residues pruned to eliminate duplicates Z: 27 38.509 2.001 0.778 0.918 0.962 0.538 CB 1.557 27 residues pruned to eliminate duplicates Z: 26 35.437 2.096 0.717 0.910 0.960 0.840 CB 1.455 26 residues pruned to eliminate duplicates Z: 48 37.509 2.044 0.603 0.707 0.957 0.574 CA 1.446 48 residues pruned to eliminate duplicates Z: 93 63.764 2.064 0.830 0.744 0.946 0.511 CB 1.497 93 residues pruned to eliminate duplicates Z: 13 10.128 1.752 0.472 0.838 0.917 0.583 CB 0.925 13 residues pruned to eliminate duplicates Z: 24 13.304 1.663 0.554 0.766 0.870 0.522 CB 0.975 24 residues pruned to eliminate duplicates Z: 11 4.983 1.761 0.438 0.621 0.600 0.100 CB 0.925 11 residues pruned to eliminate duplicates Z: 20 17.971 1.887 0.522 0.619 0.895 0.737 CA 1.433 20 residues pruned to eliminate duplicates Z: 90 57.970 2.049 0.777 0.803 0.955 0.596 CB 1.356 89 residues pruned to eliminate duplicates Z: 10 10.905 1.774 0.311 0.856 0.889 0.778 CB 1.297 10 residues pruned to eliminate duplicates Z: 25 29.545 2.001 0.573 0.934 1.000 0.917 CA 1.336 25 residues pruned to eliminate duplicates Z: 20 10.069 1.830 0.347 0.393 0.737 0.474 CB 1.424 20 residues pruned to eliminate duplicates Z: 26 30.728 1.992 0.757 0.929 1.000 0.480 CB 1.228 26 residues pruned to eliminate duplicates Z: 14 16.015 1.619 0.913 0.876 1.000 0.538 CA 1.042 14 residues pruned to eliminate duplicates Z: 46 38.105 2.077 0.501 0.743 1.000 0.644 CA 1.465 46 residues pruned to eliminate duplicates 6 1.274 1.228 0.219 0.409 0.800 0.400 CB 0.523 ? Z: 18 20.343 1.816 0.752 0.854 1.000 0.706 CA 1.145 18 residues pruned to eliminate duplicates Z: 11 9.266 1.826 0.371 0.772 0.900 0.800 CB 1.022 11 residues pruned to eliminate duplicates Z: 19 16.488 1.809 0.479 0.933 1.000 0.833 CB 1.014 19 residues pruned to eliminate duplicates Z: 26 35.690 2.101 0.775 0.822 1.000 0.800 CA 1.448 26 residues pruned to eliminate duplicates Z: 15 3.956 1.482 0.192 0.429 0.714 0.571 CB 0.902 15 residues pruned to eliminate duplicates Z: 10 11.800 1.683 0.802 0.883 1.000 0.667 CA 0.938 10 residues pruned to eliminate duplicates Z: 11 10.959 1.840 0.276 0.766 1.000 0.500 CB 1.166 11 residues pruned to eliminate duplicates Z: 24 15.936 1.958 0.421 0.610 0.870 0.652 CB 1.238 24 residues pruned to eliminate duplicates Z: 26 30.560 2.098 0.432 0.930 0.960 0.880 CB 1.483 26 residues pruned to eliminate duplicates Z: 6 3.153 1.350 0.359 0.402 0.800 0.400 C 1.065 Z: 29 42.847 2.056 0.774 0.921 0.964 0.500 CA 1.621 29 residues pruned to eliminate duplicates Z: 28 24.019 1.937 0.590 0.889 0.926 0.556 CB 1.167 28 residues pruned to eliminate duplicates Z: 21 18.949 1.587 0.729 0.902 1.000 0.650 CA 1.101 21 residues pruned to eliminate duplicates Z: 6 3.437 1.554 0.466 0.484 0.800 0.400 CA 0.857 Using tripeptides from previous cycle as seeds Z: 13 11.060 1.812 0.572 0.772 0.833 0.750 CB 1.058 13 residues pruned to eliminate duplicates Z: 19 9.611 1.705 0.376 0.500 0.833 0.667 CB 1.159 19 residues pruned to eliminate duplicates Z: 24 15.035 1.704 0.515 0.600 0.957 0.652 CB 1.155 27 residues pruned to eliminate duplicates Z: 13 10.797 1.770 0.305 0.785 1.000 0.833 CB 1.050 13 residues pruned to eliminate duplicates Z: 14 10.792 1.773 0.380 0.652 1.000 0.692 CB 1.062 14 residues pruned to eliminate duplicates Z: 16 11.370 1.693 0.541 0.578 0.867 0.600 CB 1.204 16 residues pruned to eliminate duplicates Z: 16 9.082 1.665 0.384 0.616 0.933 0.733 CB 0.976 16 residues pruned to eliminate duplicates Z: 13 12.668 1.881 0.377 0.717 1.000 0.750 CB 1.160 13 residues pruned to eliminate duplicates Z: 15 9.250 1.725 0.440 0.609 0.786 0.714 CB 1.142 15 residues pruned to eliminate duplicates Z: 20 9.866 1.688 0.450 0.506 0.842 0.421 CB 1.092 20 residues pruned to eliminate duplicates Z: 13 12.591 1.854 0.597 0.728 1.000 0.667 CB 1.000 13 residues pruned to eliminate duplicates Z: 13 15.104 1.900 0.478 0.796 1.000 0.833 CB 1.198 13 residues pruned to eliminate duplicates Z: 53 38.155 1.973 0.699 0.768 0.942 0.731 CB 1.321 59 residues pruned to eliminate duplicates Z: 15 10.307 1.767 0.470 0.784 0.786 0.500 CB 1.051 15 residues pruned to eliminate duplicates Z: 10 6.956 1.550 0.519 0.740 0.889 0.667 CB 0.893 10 residues pruned to eliminate duplicates Z: 8 10.126 1.706 0.435 0.860 1.000 0.429 CB 1.150 8 residues pruned to eliminate duplicates Z: 7 8.718 1.700 0.484 0.847 1.000 0.667 CB 1.047 7 residues pruned to eliminate duplicates Z: 17 9.335 1.633 0.401 0.504 0.938 0.438 CB 1.084 18 residues pruned to eliminate duplicates Z: 6 5.963 1.505 0.500 0.766 1.000 0.600 CB 0.933 6 residues pruned to eliminate duplicates Z: 19 18.972 1.781 0.704 0.809 1.000 0.611 CB 1.126 19 residues pruned to eliminate duplicates Z: 22 15.599 1.663 0.675 0.763 0.952 0.429 CB 1.016 22 residues pruned to eliminate duplicates Z: 16 12.041 1.695 0.511 0.719 1.000 0.333 CB 0.996 16 residues pruned to eliminate duplicates Z: 59 38.671 1.985 0.606 0.764 0.948 0.655 CB 1.329 59 residues pruned to eliminate duplicates Z: 61 41.979 1.982 0.657 0.756 0.933 0.683 CB 1.407 61 residues pruned to eliminate duplicates Z: 55 47.147 2.024 0.764 0.836 0.981 0.685 CB 1.371 55 residues pruned to eliminate duplicates Z: 57 37.936 1.989 0.706 0.775 0.893 0.607 CB 1.312 57 residues pruned to eliminate duplicates Z: 60 44.002 1.980 0.635 0.774 1.000 0.627 CB 1.389 60 residues pruned to eliminate duplicates Z: 62 45.659 1.992 0.588 0.823 0.967 0.738 CB 1.445 62 residues pruned to eliminate duplicates Z: 64 44.877 1.960 0.639 0.793 0.952 0.683 CB 1.429 64 residues pruned to eliminate duplicates Z: 54 49.248 2.058 0.672 0.845 0.981 0.698 CA 1.490 54 residues pruned to eliminate duplicates Z: 13 12.004 1.844 0.778 0.502 0.750 0.500 CB 1.406 13 residues pruned to eliminate duplicates Z: 46 43.244 2.052 0.817 0.726 0.956 0.689 CA 1.475 46 residues pruned to eliminate duplicates Z: 43 46.247 2.106 0.784 0.816 0.976 0.833 CA 1.478 43 residues pruned to eliminate duplicates Z: 53 40.214 2.010 0.712 0.781 0.923 0.654 CB 1.370 53 residues pruned to eliminate duplicates Z: 36 44.891 2.170 0.804 0.829 0.943 0.657 CB 1.546 36 residues pruned to eliminate duplicates Z: 41 35.299 2.096 0.676 0.710 0.950 0.625 CA 1.383 41 residues pruned to eliminate duplicates Z: 41 36.846 2.072 0.747 0.712 0.950 0.600 CA 1.398 41 residues pruned to eliminate duplicates Z: 37 40.768 2.124 0.806 0.768 0.944 0.556 CA 1.479 37 residues pruned to eliminate duplicates Z: 51 40.529 2.015 0.758 0.750 0.920 0.520 CB 1.407 51 residues pruned to eliminate duplicates Z: 43 41.707 2.074 0.691 0.803 0.952 0.690 CA 1.479 43 residues pruned to eliminate duplicates Z: 36 43.507 2.156 0.786 0.822 0.943 0.571 CA 1.531 36 residues pruned to eliminate duplicates Z: 40 39.165 2.084 0.759 0.745 0.949 0.641 CB 1.448 40 residues pruned to eliminate duplicates Z: 44 45.111 2.098 0.762 0.811 0.953 0.581 CA 1.489 44 residues pruned to eliminate duplicates Z: 47 49.439 2.078 0.751 0.835 0.978 0.696 CA 1.533 47 residues pruned to eliminate duplicates Z: 42 47.017 2.122 0.832 0.819 0.976 0.610 CA 1.468 42 residues pruned to eliminate duplicates Z: 50 42.752 2.052 0.695 0.738 0.959 0.633 CB 1.478 50 residues pruned to eliminate duplicates Z: 43 39.654 2.090 0.633 0.810 0.929 0.667 CA 1.475 43 residues pruned to eliminate duplicates Z: 53 37.402 1.950 0.723 0.704 0.923 0.577 CB 1.388 53 residues pruned to eliminate duplicates Z: 42 45.707 2.111 0.758 0.830 0.976 0.659 CA 1.482 42 residues pruned to eliminate duplicates Z: 59 39.970 1.982 0.683 0.707 0.931 0.483 CB 1.399 59 residues pruned to eliminate duplicates Z: 43 39.038 2.087 0.695 0.735 0.929 0.619 CB 1.485 43 residues pruned to eliminate duplicates Z: 44 45.454 2.085 0.744 0.786 0.977 0.628 CA 1.519 44 residues pruned to eliminate duplicates Z: 41 48.504 2.141 0.759 0.848 0.975 0.625 CA 1.549 41 residues pruned to eliminate duplicates Z: 37 40.983 2.111 0.893 0.775 0.917 0.472 CA 1.462 37 residues pruned to eliminate duplicates Z: 62 52.700 2.008 0.807 0.834 0.984 0.574 CB 1.417 61 residues pruned to eliminate duplicates Z: 26 32.955 1.954 0.729 0.914 1.000 0.800 CA 1.380 26 residues pruned to eliminate duplicates Z: 43 44.387 2.108 0.749 0.796 0.952 0.595 CB 1.505 43 residues pruned to eliminate duplicates Z: 43 51.597 2.082 0.953 0.812 0.976 0.476 CB 1.529 43 residues pruned to eliminate duplicates Z: 43 45.328 2.083 0.823 0.806 0.952 0.524 CA 1.480 43 residues pruned to eliminate duplicates Z: 58 46.149 1.971 0.858 0.789 0.947 0.404 CB 1.367 58 residues pruned to eliminate duplicates Z: 42 45.294 2.111 0.767 0.810 0.951 0.390 CB 1.521 42 residues pruned to eliminate duplicates Z: 42 49.093 2.124 0.779 0.823 1.000 0.537 CB 1.533 42 residues pruned to eliminate duplicates Z: 51 46.232 2.046 0.792 0.765 0.960 0.500 CB 1.468 51 residues pruned to eliminate duplicates Z: 43 48.029 2.103 0.813 0.789 1.000 0.429 CB 1.508 43 residues pruned to eliminate duplicates Z: 57 46.495 2.001 0.841 0.744 0.946 0.482 CB 1.432 57 residues pruned to eliminate duplicates Z: 62 44.771 1.994 0.750 0.820 0.918 0.393 CB 1.356 62 residues pruned to eliminate duplicates Z: 42 40.681 2.097 0.770 0.797 0.878 0.390 CB 1.503 42 residues pruned to eliminate duplicates Z: 45 48.188 2.041 0.870 0.832 0.977 0.386 CB 1.462 45 residues pruned to eliminate duplicates Z: 42 51.327 2.118 0.924 0.822 0.976 0.390 CA 1.526 42 residues pruned to eliminate duplicates Z: 42 53.951 2.113 0.965 0.817 1.000 0.390 CA 1.541 42 residues pruned to eliminate duplicates Z: 44 43.611 2.063 0.799 0.822 0.907 0.349 CB 1.495 44 residues pruned to eliminate duplicates Z: 59 42.226 1.980 0.748 0.746 0.948 0.466 CB 1.357 59 residues pruned to eliminate duplicates Z: 43 49.128 2.080 0.899 0.843 0.976 0.452 CA 1.464 43 residues pruned to eliminate duplicates Z: 7 3.677 1.671 0.187 0.673 1.000 0.500 CB 0.645 7 residues pruned to eliminate duplicates Z: 7 3.240 1.627 0.367 0.713 0.833 0.667 CB 0.588 7 residues pruned to eliminate duplicates Z: 6 4.483 1.708 0.364 0.854 1.000 1.000 CB 0.636 6 residues pruned to eliminate duplicates Z: 25 20.688 1.845 0.436 0.936 1.000 0.917 CB 1.110 25 residues pruned to eliminate duplicates Z: 7 5.050 1.695 0.517 0.883 1.000 0.667 CB 0.580 7 residues pruned to eliminate duplicates Z: 21 23.142 1.921 0.638 0.839 1.000 0.750 CA 1.229 21 residues pruned to eliminate duplicates Z: 42 26.432 1.864 0.542 0.837 0.976 0.707 CB 1.101 41 residues pruned to eliminate duplicates Z: 18 23.955 1.950 0.653 0.899 1.000 0.824 CA 1.288 18 residues pruned to eliminate duplicates Z: 25 22.652 1.859 0.712 0.875 1.000 0.667 CB 1.057 25 residues pruned to eliminate duplicates Z: 33 19.139 1.777 0.669 0.757 0.906 0.562 CB 1.001 33 residues pruned to eliminate duplicates Z: 40 23.181 1.795 0.621 0.811 0.897 0.667 CB 1.084 40 residues pruned to eliminate duplicates Z: 34 23.536 1.878 0.641 0.771 0.909 0.697 CB 1.151 34 residues pruned to eliminate duplicates Z: 43 25.555 1.858 0.522 0.809 0.952 0.762 CB 1.118 43 residues pruned to eliminate duplicates Z: 36 24.009 1.805 0.686 0.772 0.914 0.600 CB 1.146 36 residues pruned to eliminate duplicates Z: 23 22.135 1.938 0.817 0.746 0.909 0.636 CB 1.183 23 residues pruned to eliminate duplicates Z: 34 25.478 1.902 0.658 0.793 0.939 0.727 CB 1.158 34 residues pruned to eliminate duplicates Z: 26 20.736 1.881 0.589 0.735 0.920 0.680 CB 1.222 26 residues pruned to eliminate duplicates Z: 21 23.898 1.870 0.964 0.778 0.950 0.600 CB 1.199 21 residues pruned to eliminate duplicates Z: 30 18.335 1.790 0.782 0.636 0.828 0.552 CB 1.136 30 residues pruned to eliminate duplicates Z: 42 26.429 1.839 0.674 0.804 0.927 0.780 CB 1.109 42 residues pruned to eliminate duplicates Z: 31 23.260 1.844 0.858 0.772 0.933 0.567 CB 1.044 31 residues pruned to eliminate duplicates Z: 18 22.609 1.899 0.940 0.789 0.941 0.706 CA 1.227 18 residues pruned to eliminate duplicates Z: 26 16.972 1.828 0.744 0.609 0.840 0.400 CB 1.143 26 residues pruned to eliminate duplicates Z: 44 25.834 1.841 0.585 0.796 0.953 0.674 CB 1.093 44 residues pruned to eliminate duplicates Z: 47 30.197 1.828 0.700 0.854 0.978 0.739 CB 1.081 47 residues pruned to eliminate duplicates Z: 20 11.842 1.784 0.336 0.895 0.947 0.684 CB 0.862 20 residues pruned to eliminate duplicates Z: 32 23.162 1.831 0.728 0.767 0.968 0.581 CB 1.072 32 residues pruned to eliminate duplicates Z: 16 15.032 1.860 0.459 0.835 0.867 0.800 CB 1.236 16 residues pruned to eliminate duplicates Z: 35 29.283 1.871 0.731 0.805 0.971 0.735 CB 1.224 35 residues pruned to eliminate duplicates Z: 15 13.189 1.839 0.393 0.829 0.929 0.643 CB 1.116 15 residues pruned to eliminate duplicates Z: 16 14.347 1.861 0.587 0.819 0.867 0.867 CB 1.098 16 residues pruned to eliminate duplicates Z: 43 26.583 1.835 0.644 0.800 0.952 0.786 CB 1.098 43 residues pruned to eliminate duplicates Z: 41 22.251 1.765 0.607 0.779 0.925 0.625 CB 1.049 41 residues pruned to eliminate duplicates Z: 38 29.114 1.863 0.739 0.830 0.973 0.730 CB 1.142 38 residues pruned to eliminate duplicates Z: 15 13.494 1.846 0.319 0.847 0.929 0.929 CB 1.184 15 residues pruned to eliminate duplicates Z: 15 15.203 1.889 0.662 0.916 0.929 0.786 CB 0.984 15 residues pruned to eliminate duplicates Z: 18 13.958 1.848 0.553 0.712 0.824 0.529 CB 1.181 18 residues pruned to eliminate duplicates Z: 15 11.180 1.784 0.544 0.598 0.786 0.786 CB 1.259 15 residues pruned to eliminate duplicates Z: 12 13.073 1.849 0.439 0.742 0.909 0.818 CB 1.313 12 residues pruned to eliminate duplicates Z: 47 31.477 1.806 0.849 0.867 0.978 0.761 CB 1.040 47 residues pruned to eliminate duplicates Z: 17 20.624 1.738 0.915 0.902 1.000 0.750 CB 1.105 17 residues pruned to eliminate duplicates Z: 21 21.753 1.787 0.849 0.914 0.950 0.700 CB 1.096 21 residues pruned to eliminate duplicates Z: 21 20.683 1.784 0.857 0.893 0.950 0.650 CB 1.056 21 residues pruned to eliminate duplicates Z: 21 18.165 1.757 0.805 0.906 0.900 0.600 CB 1.012 21 residues pruned to eliminate duplicates Z: 8 3.730 1.506 0.754 0.391 0.857 0.429 CB 0.699 8 residues pruned to eliminate duplicates Z: 98 57.417 2.078 0.469 0.748 0.979 0.753 CA 1.562 99 residues pruned to eliminate duplicates Z: 7 6.306 1.700 0.579 0.484 0.833 0.833 CB 1.170 7 residues pruned to eliminate duplicates Z: 62 48.622 2.071 0.573 0.766 0.984 0.885 CA 1.534 61 residues pruned to eliminate duplicates Z: 37 33.168 1.997 0.422 0.844 0.944 0.917 CA 1.534 37 residues pruned to eliminate duplicates Z: 78 60.286 2.095 0.613 0.796 0.987 0.779 CA 1.589 78 residues pruned to eliminate duplicates Z: 185 77.899 2.063 0.572 0.745 0.962 0.788 CB 1.479 185 residues pruned to eliminate duplicates Z: 97 55.039 2.074 0.490 0.706 0.979 0.698 CB 1.540 97 residues pruned to eliminate duplicates Z: 61 48.469 2.080 0.534 0.747 1.000 0.833 CB 1.573 61 residues pruned to eliminate duplicates Z: 99 58.275 2.072 0.574 0.733 0.939 0.786 CA 1.559 99 residues pruned to eliminate duplicates Z: 35 33.842 2.096 0.690 0.668 0.941 0.676 CB 1.491 35 residues pruned to eliminate duplicates Z: 98 57.876 2.074 0.472 0.756 0.979 0.722 CA 1.564 99 residues pruned to eliminate duplicates Z: 37 34.275 1.965 0.418 0.903 0.972 0.778 CB 1.503 37 residues pruned to eliminate duplicates Z: 45 35.483 2.040 0.510 0.705 0.955 0.773 CB 1.510 45 residues pruned to eliminate duplicates Z: 98 61.119 2.086 0.531 0.745 1.000 0.732 CB 1.560 98 residues pruned to eliminate duplicates Z: 34 35.046 2.093 0.691 0.698 1.000 0.758 CB 1.439 34 residues pruned to eliminate duplicates Z: 98 58.243 2.075 0.568 0.736 0.948 0.691 CB 1.550 98 residues pruned to eliminate duplicates Z: 28 29.266 2.001 0.407 0.885 0.963 0.741 CA 1.500 28 residues pruned to eliminate duplicates Z: 64 47.863 2.061 0.604 0.743 0.984 0.683 CB 1.491 64 residues pruned to eliminate duplicates Z: 60 50.722 2.078 0.644 0.768 0.983 0.661 CB 1.550 60 residues pruned to eliminate duplicates Z: 26 31.985 2.082 0.452 0.937 1.000 0.800 CA 1.473 26 residues pruned to eliminate duplicates Z: 99 57.917 2.072 0.530 0.754 0.949 0.694 CB 1.550 98 residues pruned to eliminate duplicates Z: 27 36.466 2.054 0.621 0.927 1.000 0.731 CB 1.506 27 residues pruned to eliminate duplicates Z: 33 37.069 2.103 0.783 0.694 0.969 0.562 CB 1.512 33 residues pruned to eliminate duplicates Z: 81 62.655 2.064 0.719 0.774 0.975 0.663 CA 1.589 81 residues pruned to eliminate duplicates Z: 35 34.873 2.091 0.768 0.665 0.971 0.647 CB 1.430 35 residues pruned to eliminate duplicates Z: 98 63.581 2.070 0.632 0.761 0.990 0.722 CB 1.531 98 residues pruned to eliminate duplicates Z: 137 70.223 2.053 0.645 0.738 0.985 0.721 CB 1.462 137 residues pruned to eliminate duplicates Z: 99 60.922 2.081 0.594 0.747 0.959 0.602 CB 1.551 99 residues pruned to eliminate duplicates Z: 60 54.282 2.078 0.788 0.768 1.000 0.593 CB 1.501 60 residues pruned to eliminate duplicates Z: 100 60.404 2.078 0.619 0.752 0.960 0.677 CB 1.502 100 residues pruned to eliminate duplicates Z: 61 52.694 2.081 0.795 0.769 0.983 0.617 CB 1.459 61 residues pruned to eliminate duplicates Z: 100 61.994 2.074 0.660 0.734 0.970 0.626 CB 1.512 100 residues pruned to eliminate duplicates Z: 50 44.745 2.020 0.854 0.737 0.980 0.531 CB 1.409 50 residues pruned to eliminate duplicates Z: 80 65.891 2.090 0.787 0.775 0.987 0.633 CB 1.577 80 residues pruned to eliminate duplicates Z: 72 63.424 2.087 0.873 0.780 0.972 0.620 CB 1.549 72 residues pruned to eliminate duplicates Z: 66 48.219 2.037 0.590 0.729 0.969 0.631 CB 1.550 66 residues pruned to eliminate duplicates Z: 74 61.657 2.077 0.791 0.756 0.986 0.753 CB 1.566 74 residues pruned to eliminate duplicates Z: 98 56.610 2.042 0.687 0.693 0.959 0.567 CB 1.459 98 residues pruned to eliminate duplicates Z: 178 75.798 2.027 0.645 0.748 0.944 0.667 CB 1.452 178 residues pruned to eliminate duplicates Z: 123 65.252 2.079 0.570 0.762 0.959 0.648 CB 1.497 123 residues pruned to eliminate duplicates Z: 64 47.691 2.055 0.537 0.756 0.968 0.730 CB 1.563 64 residues pruned to eliminate duplicates Z: 62 42.779 2.046 0.559 0.672 0.984 0.639 CB 1.489 62 residues pruned to eliminate duplicates Z: 100 65.089 2.084 0.686 0.742 0.980 0.687 CB 1.530 100 residues pruned to eliminate duplicates Z: 61 57.165 2.083 0.862 0.752 1.000 0.583 CB 1.519 61 residues pruned to eliminate duplicates Z: 99 64.195 2.068 0.749 0.738 0.969 0.541 CB 1.494 99 residues pruned to eliminate duplicates Z: 99 59.107 2.047 0.607 0.738 0.980 0.592 CB 1.496 99 residues pruned to eliminate duplicates Z: 99 61.716 2.071 0.655 0.746 0.980 0.602 CB 1.491 99 residues pruned to eliminate duplicates Z: 78 56.618 2.065 0.769 0.718 0.974 0.571 CB 1.489 78 residues pruned to eliminate duplicates Z: 98 65.260 2.074 0.755 0.753 0.948 0.608 CB 1.531 98 residues pruned to eliminate duplicates Z: 123 63.567 2.072 0.644 0.721 0.959 0.582 CB 1.443 123 residues pruned to eliminate duplicates Z: 98 61.720 2.085 0.627 0.756 0.979 0.557 CB 1.502 98 residues pruned to eliminate duplicates Z: 97 59.254 2.057 0.711 0.719 0.969 0.510 CB 1.455 97 residues pruned to eliminate duplicates Z: 98 66.285 2.067 0.752 0.744 0.979 0.546 CB 1.525 98 residues pruned to eliminate duplicates Z: 79 59.035 2.058 0.838 0.735 0.962 0.526 CB 1.488 79 residues pruned to eliminate duplicates Z: 94 56.650 2.048 0.740 0.693 0.935 0.570 CB 1.478 94 residues pruned to eliminate duplicates Z: 98 65.786 2.063 0.774 0.751 0.979 0.485 CB 1.489 98 residues pruned to eliminate duplicates Z: 77 58.313 2.064 0.864 0.738 0.947 0.579 CB 1.483 77 residues pruned to eliminate duplicates Z: 78 68.295 2.091 0.910 0.805 0.987 0.468 CB 1.513 78 residues pruned to eliminate duplicates Z: 65 53.532 2.041 0.797 0.746 0.984 0.500 CB 1.487 65 residues pruned to eliminate duplicates Z: 81 63.798 2.058 0.858 0.768 0.975 0.538 CB 1.509 81 residues pruned to eliminate duplicates Z: 64 50.563 2.057 0.739 0.735 0.937 0.397 CB 1.539 64 residues pruned to eliminate duplicates Z: 39 33.829 2.053 0.630 0.671 0.921 0.395 CB 1.520 39 residues pruned to eliminate duplicates Z: 64 51.879 2.051 0.732 0.751 0.968 0.508 CB 1.518 64 residues pruned to eliminate duplicates Z: 100 64.315 2.066 0.771 0.738 0.960 0.535 CB 1.486 100 residues pruned to eliminate duplicates Z: 100 64.672 2.074 0.760 0.736 0.960 0.485 CB 1.501 100 residues pruned to eliminate duplicates Z: 98 58.719 2.034 0.805 0.720 0.928 0.474 CB 1.434 98 residues pruned to eliminate duplicates Z: 36 36.464 2.030 0.784 0.701 0.914 0.429 CA 1.550 36 residues pruned to eliminate duplicates Z: 72 48.318 2.009 0.701 0.732 0.915 0.408 CB 1.487 72 residues pruned to eliminate duplicates Z: 100 63.360 2.057 0.783 0.751 0.949 0.535 CB 1.462 100 residues pruned to eliminate duplicates Z: 100 67.899 2.069 0.838 0.745 0.980 0.505 CB 1.471 100 residues pruned to eliminate duplicates Z: 30 52.585 2.060 1.090 0.904 1.000 0.310 CB 1.616 30 residues pruned to eliminate duplicates Z: 41 40.177 2.073 0.657 0.730 0.975 0.475 CB 1.541 41 residues pruned to eliminate duplicates Z: 29 16.032 1.920 0.331 0.559 0.893 0.500 CB 1.254 29 residues pruned to eliminate duplicates Z: 23 15.261 1.947 0.354 0.579 0.864 0.545 CB 1.325 23 residues pruned to eliminate duplicates Z: 41 33.253 2.072 0.645 0.711 0.825 0.450 CB 1.545 41 residues pruned to eliminate duplicates Z: 40 28.764 1.974 0.725 0.664 0.795 0.359 CB 1.462 40 residues pruned to eliminate duplicates Z: 42 38.600 2.069 0.721 0.722 0.927 0.488 CA 1.495 42 residues pruned to eliminate duplicates Z: 98 66.130 2.072 0.809 0.753 0.959 0.598 CB 1.490 98 residues pruned to eliminate duplicates Z: 100 63.348 2.049 0.752 0.737 0.970 0.475 CB 1.478 100 residues pruned to eliminate duplicates Z: 99 66.321 2.072 0.776 0.747 0.980 0.490 CB 1.490 99 residues pruned to eliminate duplicates Z: 39 33.764 2.079 0.568 0.711 0.921 0.579 CA 1.506 39 residues pruned to eliminate duplicates Z: 22 17.341 1.996 0.286 0.644 0.952 0.476 CB 1.353 22 residues pruned to eliminate duplicates Z: 55 47.674 2.074 0.727 0.732 0.963 0.519 CB 1.526 55 residues pruned to eliminate duplicates Z: 98 66.626 2.075 0.777 0.756 0.959 0.536 CB 1.523 98 residues pruned to eliminate duplicates Z: 65 51.298 2.069 0.752 0.749 0.938 0.469 CB 1.511 65 residues pruned to eliminate duplicates Z: 100 64.760 2.070 0.743 0.755 0.960 0.606 CB 1.498 100 residues pruned to eliminate duplicates Z: 98 55.780 2.029 0.800 0.699 0.887 0.443 CB 1.460 98 residues pruned to eliminate duplicates Z: 66 49.872 2.039 0.734 0.737 0.954 0.554 CB 1.484 66 residues pruned to eliminate duplicates Z: 24 17.020 1.964 0.459 0.615 0.913 0.565 CB 1.217 24 residues pruned to eliminate duplicates Z: 100 66.140 2.051 0.798 0.757 0.970 0.465 CB 1.479 100 residues pruned to eliminate duplicates Z: 26 14.802 1.880 0.335 0.564 0.880 0.480 CB 1.259 26 residues pruned to eliminate duplicates Z: 95 63.854 2.062 0.850 0.753 0.947 0.489 CB 1.454 95 residues pruned to eliminate duplicates Z: 22 19.400 2.018 0.422 0.641 0.952 0.524 CB 1.357 22 residues pruned to eliminate duplicates Z: 24 15.908 1.993 0.232 0.577 0.957 0.609 CB 1.312 24 residues pruned to eliminate duplicates Z: 42 38.618 2.075 0.719 0.728 0.902 0.488 CB 1.526 42 residues pruned to eliminate duplicates Z: 39 32.212 2.043 0.639 0.826 0.868 0.684 CB 1.355 39 residues pruned to eliminate duplicates Z: 24 27.522 2.117 0.417 0.931 0.957 0.913 CA 1.397 24 residues pruned to eliminate duplicates Z: 13 13.629 1.925 0.822 0.608 0.750 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 139 64.730 2.043 0.622 0.744 0.942 0.667 CB 1.419 139 residues pruned to eliminate duplicates Z: 88 50.765 2.036 0.647 0.761 0.931 0.759 CB 1.383 88 residues pruned to eliminate duplicates Z: 41 33.363 2.056 0.695 0.735 0.925 0.725 CB 1.325 41 residues pruned to eliminate duplicates Z: 25 32.306 2.144 0.431 0.877 1.000 0.875 CB 1.561 25 residues pruned to eliminate duplicates Z: 23 34.656 2.176 0.604 0.932 1.000 0.909 CB 1.478 23 residues pruned to eliminate duplicates Z: 26 32.200 2.095 0.579 0.831 0.960 0.880 CB 1.524 26 residues pruned to eliminate duplicates Z: 60 47.337 2.029 0.639 0.868 0.983 0.678 CB 1.378 60 residues pruned to eliminate duplicates Z: 92 53.383 2.036 0.720 0.767 0.945 0.747 CB 1.335 92 residues pruned to eliminate duplicates Z: 85 48.161 2.031 0.646 0.748 0.905 0.726 CB 1.392 85 residues pruned to eliminate duplicates Z: 24 39.068 2.176 0.709 0.903 1.000 0.652 CB 1.561 24 residues pruned to eliminate duplicates Z: 27 36.638 2.120 0.676 0.883 0.962 0.692 CB 1.521 27 residues pruned to eliminate duplicates Z: 27 35.029 2.081 0.707 0.902 0.962 0.654 CB 1.434 27 residues pruned to eliminate duplicates Z: 84 49.039 2.035 0.673 0.731 0.928 0.675 CB 1.384 84 residues pruned to eliminate duplicates Z: 41 30.987 2.009 0.715 0.716 0.875 0.500 CB 1.337 41 residues pruned to eliminate duplicates Z: 37 41.161 2.100 0.831 0.824 0.972 0.694 CB 1.386 37 residues pruned to eliminate duplicates Z: 68 34.222 1.971 0.589 0.637 0.896 0.612 CB 1.311 68 residues pruned to eliminate duplicates Z: 31 35.754 2.008 0.799 0.810 0.967 0.600 CB 1.427 31 residues pruned to eliminate duplicates Z: 87 53.269 2.059 0.733 0.771 0.919 0.709 CB 1.378 87 residues pruned to eliminate duplicates Z: 126 75.054 2.086 0.840 0.771 0.944 0.560 CB 1.458 126 residues pruned to eliminate duplicates Z: 27 40.916 2.115 0.868 0.942 0.962 0.654 CB 1.465 27 residues pruned to eliminate duplicates Z: 87 59.213 2.080 0.722 0.820 0.953 0.686 CB 1.417 78 residues pruned to eliminate duplicates Z: 29 34.344 2.072 0.656 0.893 0.964 0.750 CB 1.408 29 residues pruned to eliminate duplicates Z: 15 10.370 1.867 0.668 0.688 0.714 0.429 CB 1.048 15 residues pruned to eliminate duplicates Z: 66 41.020 2.010 0.606 0.771 0.938 0.769 CB 1.321 66 residues pruned to eliminate duplicates Z: 54 42.646 2.030 0.660 0.865 0.943 0.623 CB 1.349 54 residues pruned to eliminate duplicates Z: 109 52.643 2.032 0.539 0.774 0.954 0.667 CB 1.332 109 residues pruned to eliminate duplicates Z: 89 54.874 2.043 0.705 0.820 0.943 0.670 CB 1.348 89 residues pruned to eliminate duplicates Z: 57 44.621 2.018 0.632 0.845 0.982 0.679 CB 1.371 57 residues pruned to eliminate duplicates Z: 64 40.178 2.018 0.587 0.748 0.968 0.651 CB 1.307 64 residues pruned to eliminate duplicates Z: 68 43.540 2.005 0.719 0.744 0.925 0.731 CB 1.341 68 residues pruned to eliminate duplicates Z: 188 87.996 2.057 0.778 0.773 0.984 0.567 CB 1.405 187 residues pruned to eliminate duplicates Z: 29 29.313 1.996 0.520 0.922 1.000 0.786 CB 1.284 29 residues pruned to eliminate duplicates Z: 88 56.112 2.065 0.669 0.807 0.954 0.713 CB 1.401 88 residues pruned to eliminate duplicates Z: 89 51.561 2.039 0.631 0.800 0.966 0.648 CB 1.316 89 residues pruned to eliminate duplicates Z: 90 55.509 2.049 0.719 0.789 0.944 0.640 CB 1.373 90 residues pruned to eliminate duplicates Z: 129 62.259 2.047 0.676 0.763 0.930 0.625 CB 1.366 129 residues pruned to eliminate duplicates Z: 87 60.417 2.075 0.768 0.823 0.977 0.698 CB 1.374 87 residues pruned to eliminate duplicates Z: 30 26.512 1.949 0.514 0.923 0.966 0.793 CB 1.215 30 residues pruned to eliminate duplicates Z: 34 29.987 1.984 0.644 0.816 0.909 0.636 CB 1.338 34 residues pruned to eliminate duplicates Z: 87 56.768 2.070 0.720 0.800 0.965 0.721 CB 1.370 87 residues pruned to eliminate duplicates Z: 23 25.441 1.996 0.693 0.922 0.955 0.409 CB 1.182 23 residues pruned to eliminate duplicates Z: 93 50.557 2.019 0.685 0.759 0.924 0.587 CB 1.332 93 residues pruned to eliminate duplicates Z: 89 57.649 2.064 0.744 0.817 0.977 0.693 CB 1.326 88 residues pruned to eliminate duplicates Z: 28 28.433 2.004 0.731 0.890 0.889 0.667 CB 1.276 28 residues pruned to eliminate duplicates Z: 189 83.195 2.051 0.784 0.765 0.941 0.559 CB 1.392 189 residues pruned to eliminate duplicates Z: 140 71.390 2.044 0.755 0.781 0.935 0.583 CB 1.408 140 residues pruned to eliminate duplicates Z: 186 81.997 2.057 0.676 0.768 0.973 0.557 CB 1.417 186 residues pruned to eliminate duplicates Z: 91 54.551 2.036 0.712 0.802 0.933 0.667 CB 1.357 91 residues pruned to eliminate duplicates Z: 62 45.694 2.036 0.731 0.825 0.918 0.508 CB 1.365 62 residues pruned to eliminate duplicates Z: 62 46.171 2.028 0.786 0.774 0.984 0.656 CB 1.302 61 residues pruned to eliminate duplicates Z: 30 28.637 1.989 0.639 0.889 0.966 0.552 CB 1.217 30 residues pruned to eliminate duplicates Z: 36 31.096 2.006 0.772 0.657 0.971 0.657 CB 1.316 36 residues pruned to eliminate duplicates Z: 90 57.141 2.040 0.753 0.792 0.966 0.629 CB 1.357 90 residues pruned to eliminate duplicates Z: 90 57.370 2.054 0.714 0.803 0.955 0.663 CB 1.388 90 residues pruned to eliminate duplicates Z: 63 41.864 1.998 0.694 0.783 0.952 0.565 CB 1.288 63 residues pruned to eliminate duplicates Z: 65 43.886 2.012 0.796 0.741 0.953 0.562 CB 1.284 65 residues pruned to eliminate duplicates Z: 111 56.207 2.030 0.690 0.738 0.955 0.600 CB 1.322 111 residues pruned to eliminate duplicates Z: 63 41.913 1.992 0.771 0.732 0.935 0.661 CB 1.309 64 residues pruned to eliminate duplicates Z: 23 32.512 2.082 0.663 0.930 1.000 0.864 CB 1.400 23 residues pruned to eliminate duplicates Z: 90 56.709 2.040 0.739 0.808 0.978 0.618 CB 1.325 90 residues pruned to eliminate duplicates Z: 88 57.231 2.069 0.768 0.814 0.954 0.747 CB 1.337 88 residues pruned to eliminate duplicates Z: 88 55.759 2.069 0.763 0.795 0.954 0.678 CB 1.327 88 residues pruned to eliminate duplicates Z: 53 39.452 2.028 0.706 0.750 0.942 0.712 CB 1.342 52 residues pruned to eliminate duplicates Z: 21 35.870 2.139 0.840 0.941 1.000 0.900 CB 1.414 21 residues pruned to eliminate duplicates Z: 91 58.195 2.038 0.788 0.783 0.978 0.567 CB 1.342 91 residues pruned to eliminate duplicates Z: 23 37.594 2.073 1.073 0.939 1.000 0.773 CB 1.296 23 residues pruned to eliminate duplicates Z: 37 34.497 2.004 0.811 0.682 1.000 0.667 CB 1.340 37 residues pruned to eliminate duplicates Z: 21 36.583 2.154 0.928 0.947 1.000 0.850 CB 1.361 21 residues pruned to eliminate duplicates Z: 89 54.795 2.046 0.794 0.792 0.955 0.648 CB 1.290 89 residues pruned to eliminate duplicates Z: 91 54.088 2.036 0.745 0.785 0.944 0.622 CB 1.322 91 residues pruned to eliminate duplicates Z: 126 65.976 2.051 0.764 0.788 0.936 0.568 CB 1.353 126 residues pruned to eliminate duplicates Z: 90 58.270 2.046 0.780 0.802 0.966 0.640 CB 1.348 90 residues pruned to eliminate duplicates Z: 87 49.387 1.997 0.780 0.752 0.919 0.558 CB 1.303 87 residues pruned to eliminate duplicates Z: 88 60.996 2.067 0.846 0.804 0.977 0.632 CB 1.345 89 residues pruned to eliminate duplicates Z: 24 36.968 2.084 1.075 0.882 1.000 0.739 CB 1.290 24 residues pruned to eliminate duplicates Z: 87 55.632 2.030 0.850 0.773 0.953 0.570 CB 1.316 87 residues pruned to eliminate duplicates Z: 35 30.255 2.028 0.787 0.693 0.912 0.765 CB 1.315 35 residues pruned to eliminate duplicates Z: 36 27.932 1.986 0.719 0.641 0.943 0.714 CB 1.285 36 residues pruned to eliminate duplicates Z: 86 44.918 1.963 0.772 0.720 0.894 0.412 CB 1.284 86 residues pruned to eliminate duplicates Z: 88 57.617 2.070 0.792 0.795 0.954 0.586 CB 1.348 88 residues pruned to eliminate duplicates Z: 12 5.304 1.664 0.493 0.291 0.727 0.273 CA 1.118 12 residues pruned to eliminate duplicates Z: 89 58.373 2.070 0.742 0.806 0.955 0.693 CB 1.384 89 residues pruned to eliminate duplicates Z: 8 3.001 1.486 0.504 0.095 0.857 0.429 CB 0.995 7 residues pruned to eliminate duplicates 337 residues left after pruning, divided into chains as follows: A: 38 B: 63 C: 47 D: 189 CC for partial structure against native data = 44.28 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.351, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.398, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.473, Connect. = 0.759 for dens.mod. cycle 3 = 0.300, Contrast = 0.477, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.484, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.489, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.494, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.498, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.501, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.504, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1692 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 375 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 38.233 2.135 0.551 0.923 1.000 0.893 CA 1.534 B: 25 32.177 1.970 0.596 0.933 1.000 0.917 CA 1.458 C: 21 39.386 2.130 1.054 0.952 1.000 0.900 CB 1.387 D: 21 38.004 2.126 1.046 0.950 1.000 0.900 CB 1.347 21 residues pruned to eliminate duplicates E: 25 31.274 2.084 0.334 0.958 1.000 0.875 CB 1.575 F: 24 36.532 2.004 0.963 0.927 1.000 0.696 CA 1.357 22 residues pruned to eliminate duplicates G: 30 40.201 2.075 0.695 0.900 1.000 0.897 CA 1.517 29 residues pruned to eliminate duplicates H: 25 27.704 1.977 0.480 0.934 1.000 0.958 CA 1.347 25 residues pruned to eliminate duplicates I: 23 31.358 2.097 0.689 0.944 0.955 0.864 CB 1.370 23 residues pruned to eliminate duplicates J: 25 31.862 1.989 0.664 0.903 1.000 0.792 CA 1.400 25 residues pruned to eliminate duplicates K: 30 29.565 1.936 0.805 0.886 0.931 0.621 CB 1.218 L: 28 28.166 1.939 0.767 0.923 0.926 0.333 CB 1.201 M: 16 27.468 2.051 0.788 0.890 0.933 0.467 CA 1.491 16 residues pruned to eliminate duplicates N: 26 29.576 2.027 0.615 0.912 0.960 0.680 CB 1.333 O: 25 27.940 2.063 0.361 0.938 1.000 0.875 CA 1.412 25 residues pruned to eliminate duplicates P: 29 39.073 2.151 0.510 0.934 1.000 0.821 CA 1.585 29 residues pruned to eliminate duplicates Q: 23 25.326 2.047 0.502 0.927 0.955 0.909 CA 1.290 23 residues pruned to eliminate duplicates R: 29 54.160 2.175 0.974 0.939 1.000 0.643 CA 1.657 30 residues pruned to eliminate duplicates S: 17 37.688 2.147 0.958 0.932 1.000 0.750 CB 1.565 17 residues pruned to eliminate duplicates T: 29 39.117 2.029 0.923 0.890 0.929 0.500 CB 1.468 25 residues pruned to eliminate duplicates U: 22 41.145 2.049 1.158 0.955 1.000 0.762 CB 1.395 21 residues pruned to eliminate duplicates V: 11 15.044 1.908 0.240 0.834 1.000 0.900 CA 1.506 W: 40 39.577 2.008 0.800 0.846 0.897 0.590 CB 1.451 39 residues pruned to eliminate duplicates X: 23 29.489 2.052 0.456 0.952 1.000 0.864 CA 1.449 23 residues pruned to eliminate duplicates Y: 29 53.060 2.132 1.021 0.928 1.000 0.464 CA 1.630 29 residues pruned to eliminate duplicates Z: 30 30.428 2.037 0.418 0.895 1.000 0.862 CA 1.402 30 residues pruned to eliminate duplicates Z: 29 42.281 2.171 0.582 0.931 1.000 0.786 CA 1.625 29 residues pruned to eliminate duplicates Z: 27 34.513 2.022 0.835 0.947 0.962 0.423 CB 1.311 27 residues pruned to eliminate duplicates Z: 22 38.006 2.147 0.956 0.932 1.000 0.810 CB 1.379 22 residues pruned to eliminate duplicates Z: 30 24.784 1.871 0.426 0.908 0.966 0.759 CB 1.268 30 residues pruned to eliminate duplicates Z: 23 46.482 2.150 1.033 0.948 1.000 0.545 CA 1.565 24 residues pruned to eliminate duplicates Z: 24 20.685 1.982 0.292 0.914 0.957 0.870 CA 1.245 24 residues pruned to eliminate duplicates Z: 28 27.792 2.010 0.538 0.922 0.963 0.778 CB 1.263 26 residues pruned to eliminate duplicates Z: 13 29.444 2.136 0.787 0.939 1.000 0.833 CB 1.547 13 residues pruned to eliminate duplicates Z: 10 13.551 2.019 0.484 0.867 1.000 0.778 CA 1.103 Z: 24 31.918 2.058 0.604 0.937 1.000 0.913 CB 1.403 24 residues pruned to eliminate duplicates Z: 10 9.920 2.030 0.263 0.883 0.889 0.667 CA 1.049 10 residues pruned to eliminate duplicates Z: 29 47.270 2.124 0.836 0.929 1.000 0.571 CA 1.602 29 residues pruned to eliminate duplicates Z: 21 23.045 1.813 0.702 0.894 1.000 0.800 CB 1.198 Z: 16 23.505 1.980 0.824 0.896 1.000 0.600 CB 1.204 Z: 24 38.956 2.000 0.848 0.955 1.000 0.609 CB 1.511 25 residues pruned to eliminate duplicates Z: 28 43.427 2.129 0.691 0.926 0.963 0.556 CA 1.691 28 residues pruned to eliminate duplicates Z: 30 36.380 2.074 0.506 0.918 1.000 0.931 CA 1.526 30 residues pruned to eliminate duplicates Z: 28 28.809 1.869 0.799 0.939 0.926 0.259 CB 1.238 28 residues pruned to eliminate duplicates Z: 115 61.711 2.004 0.767 0.706 0.947 0.526 CB 1.428 94 residues pruned to eliminate duplicates Z: 57 47.337 2.043 0.770 0.735 0.982 0.464 CB 1.442 57 residues pruned to eliminate duplicates Z: 30 26.458 1.907 0.540 0.870 0.966 0.724 CB 1.265 30 residues pruned to eliminate duplicates Z: 12 13.259 1.808 0.595 0.861 0.909 0.364 CB 1.120 12 residues pruned to eliminate duplicates Z: 29 34.342 2.006 0.743 0.928 1.000 0.750 CB 1.299 29 residues pruned to eliminate duplicates Z: 26 24.952 1.913 0.281 0.944 1.000 0.840 CA 1.410 24 residues pruned to eliminate duplicates Z: 28 49.539 2.174 0.944 0.924 0.963 0.519 CB 1.646 28 residues pruned to eliminate duplicates Z: 31 27.467 1.906 0.507 0.875 0.967 0.667 CB 1.314 31 residues pruned to eliminate duplicates Z: 28 56.716 2.168 1.036 0.945 1.000 0.444 CB 1.711 28 residues pruned to eliminate duplicates Z: 16 20.438 1.960 0.820 0.878 0.933 0.800 CB 1.150 16 residues pruned to eliminate duplicates Z: 31 41.958 2.040 0.816 0.876 0.967 0.600 CB 1.555 31 residues pruned to eliminate duplicates Z: 21 33.846 2.127 0.775 0.932 1.000 0.900 CB 1.399 22 residues pruned to eliminate duplicates Z: 23 32.153 2.101 0.736 0.936 0.955 0.818 CA 1.371 23 residues pruned to eliminate duplicates Z: 27 31.063 2.038 0.511 0.938 1.000 0.923 CB 1.376 28 residues pruned to eliminate duplicates Z: 30 20.964 1.824 0.350 0.901 0.931 0.862 CB 1.212 30 residues pruned to eliminate duplicates Z: 27 29.138 1.903 0.682 0.822 0.923 0.577 CA 1.462 27 residues pruned to eliminate duplicates Z: 27 30.698 2.037 0.710 0.902 0.962 0.615 CB 1.282 27 residues pruned to eliminate duplicates Z: 25 29.981 2.017 0.458 0.941 1.000 0.958 CA 1.443 25 residues pruned to eliminate duplicates Z: 27 24.852 1.957 0.228 0.937 1.000 0.923 CA 1.411 27 residues pruned to eliminate duplicates Z: 29 31.726 1.985 0.603 0.941 1.000 0.714 CB 1.307 29 residues pruned to eliminate duplicates Z: 27 32.455 2.045 0.565 0.937 1.000 0.731 CB 1.384 27 residues pruned to eliminate duplicates Z: 27 24.592 1.976 0.342 0.910 0.962 0.846 CB 1.341 27 residues pruned to eliminate duplicates Z: 18 12.110 1.771 0.176 0.910 0.941 0.941 CB 1.063 Z: 27 33.111 2.051 0.670 0.935 1.000 0.654 CB 1.321 27 residues pruned to eliminate duplicates Z: 29 50.341 2.125 0.956 0.930 1.000 0.321 CB 1.601 29 residues pruned to eliminate duplicates Z: 21 26.706 2.073 0.451 0.939 1.000 0.950 CB 1.380 21 residues pruned to eliminate duplicates Z: 29 31.429 1.951 0.891 0.809 0.857 0.500 CB 1.435 29 residues pruned to eliminate duplicates Z: 30 26.345 1.935 0.562 0.900 0.931 0.655 CB 1.242 30 residues pruned to eliminate duplicates Z: 29 51.766 2.158 1.096 0.938 0.893 0.321 CB 1.684 29 residues pruned to eliminate duplicates Z: 28 37.254 2.138 0.512 0.941 1.000 0.963 CA 1.540 28 residues pruned to eliminate duplicates Z: 54 25.102 1.966 0.367 0.569 0.906 0.528 CB 1.325 54 residues pruned to eliminate duplicates Z: 23 32.250 2.068 0.832 0.896 0.955 0.818 CB 1.362 22 residues pruned to eliminate duplicates Z: 28 30.593 1.922 0.693 0.951 0.963 0.556 CA 1.295 28 residues pruned to eliminate duplicates Z: 21 23.778 1.879 0.717 0.869 1.000 0.550 CB 1.204 21 residues pruned to eliminate duplicates Z: 34 30.108 1.994 0.341 0.872 0.970 0.758 CA 1.473 34 residues pruned to eliminate duplicates Z: 30 34.364 1.916 0.914 0.876 0.966 0.414 CB 1.310 29 residues pruned to eliminate duplicates Z: 21 29.269 2.065 0.605 0.946 1.000 0.950 CA 1.365 21 residues pruned to eliminate duplicates Z: 16 7.827 1.836 0.218 0.371 1.000 0.733 CB 1.038 16 residues pruned to eliminate duplicates Z: 13 14.608 1.900 0.279 0.851 0.917 0.750 CA 1.402 13 residues pruned to eliminate duplicates Z: 26 27.183 2.005 0.546 0.892 0.920 0.800 CB 1.370 26 residues pruned to eliminate duplicates Z: 23 34.863 2.063 0.907 0.904 0.955 0.773 CA 1.410 23 residues pruned to eliminate duplicates Z: 16 25.507 1.890 1.025 0.925 1.000 0.733 CA 1.208 16 residues pruned to eliminate duplicates Z: 26 33.799 2.053 0.538 0.931 1.000 0.800 CB 1.496 26 residues pruned to eliminate duplicates Z: 19 20.236 1.834 0.603 0.902 0.889 0.889 CA 1.302 19 residues pruned to eliminate duplicates Z: 35 39.017 2.029 0.681 0.910 0.971 0.529 CB 1.433 35 residues pruned to eliminate duplicates Z: 25 36.341 1.976 0.790 0.937 0.958 0.417 CA 1.522 25 residues pruned to eliminate duplicates Z: 27 21.264 1.866 0.395 0.884 0.962 0.731 CB 1.205 27 residues pruned to eliminate duplicates Z: 20 36.558 2.058 0.981 0.901 0.947 0.421 CA 1.550 20 residues pruned to eliminate duplicates Z: 26 38.039 1.937 0.925 0.927 1.000 0.640 CA 1.430 26 residues pruned to eliminate duplicates Z: 26 34.511 2.047 0.736 0.938 1.000 0.600 CB 1.351 26 residues pruned to eliminate duplicates Z: 22 22.102 1.850 0.603 0.850 0.952 0.571 CB 1.265 22 residues pruned to eliminate duplicates Z: 20 13.669 1.785 0.311 0.906 0.947 0.684 CB 1.006 18 residues pruned to eliminate duplicates Z: 29 40.490 2.151 0.590 0.936 0.964 0.536 CB 1.615 29 residues pruned to eliminate duplicates Z: 30 27.413 2.001 0.418 0.861 0.931 0.655 CA 1.415 30 residues pruned to eliminate duplicates Z: 18 24.914 2.090 0.454 0.902 0.941 0.706 CA 1.507 18 residues pruned to eliminate duplicates Z: 11 20.842 1.932 1.019 0.871 1.000 0.900 CB 1.233 12 residues pruned to eliminate duplicates Z: 28 41.028 2.154 0.662 0.922 1.000 0.815 CA 1.551 28 residues pruned to eliminate duplicates Z: 24 30.495 2.005 0.777 0.931 0.913 0.435 CB 1.366 24 residues pruned to eliminate duplicates Z: 16 22.789 1.921 0.868 0.894 1.000 0.600 CB 1.176 15 residues pruned to eliminate duplicates Z: 17 17.934 1.871 0.543 0.934 1.000 0.875 CB 1.082 17 residues pruned to eliminate duplicates Z: 31 36.982 1.981 0.814 0.867 0.900 0.567 CA 1.527 31 residues pruned to eliminate duplicates Z: 23 37.305 2.085 0.972 0.930 1.000 0.818 CA 1.352 23 residues pruned to eliminate duplicates Z: 12 12.943 1.821 0.477 0.830 1.000 0.818 CA 1.091 12 residues pruned to eliminate duplicates Z: 10 14.390 1.913 0.185 0.865 1.000 0.889 CB 1.550 10 residues pruned to eliminate duplicates Z: 26 28.959 2.057 0.325 0.949 1.000 1.000 CA 1.466 26 residues pruned to eliminate duplicates Z: 29 25.558 1.816 0.604 0.896 0.929 0.500 CA 1.279 29 residues pruned to eliminate duplicates Z: 21 20.978 1.854 0.484 0.941 0.950 0.600 CB 1.246 21 residues pruned to eliminate duplicates Z: 13 6.189 1.806 0.212 0.320 0.833 0.667 CB 1.194 13 residues pruned to eliminate duplicates Z: 23 39.024 2.113 0.790 0.938 1.000 0.818 CA 1.530 23 residues pruned to eliminate duplicates Z: 27 39.717 2.061 0.939 0.938 1.000 0.500 CB 1.355 27 residues pruned to eliminate duplicates Z: 18 21.235 1.874 0.397 0.901 1.000 0.765 CA 1.404 18 residues pruned to eliminate duplicates Z: 26 32.407 2.009 0.709 0.877 1.000 0.680 CB 1.371 26 residues pruned to eliminate duplicates Z: 10 17.592 2.202 0.307 0.903 1.000 0.778 CB 1.453 10 residues pruned to eliminate duplicates Z: 29 53.314 2.167 1.001 0.926 1.000 0.536 CB 1.629 29 residues pruned to eliminate duplicates Z: 29 44.454 2.159 0.687 0.939 1.000 0.857 CA 1.602 29 residues pruned to eliminate duplicates Z: 25 22.141 1.802 0.366 0.914 1.000 0.917 CA 1.299 21 residues pruned to eliminate duplicates Z: 10 9.012 1.825 0.300 0.894 1.000 1.000 CB 0.908 Z: 29 21.775 1.968 0.185 0.918 0.964 0.857 CB 1.290 29 residues pruned to eliminate duplicates Z: 27 43.392 2.088 0.977 0.952 0.923 0.269 CB 1.538 27 residues pruned to eliminate duplicates Z: 25 24.555 1.802 0.463 0.906 1.000 0.875 CB 1.352 25 residues pruned to eliminate duplicates Z: 21 15.035 1.749 0.427 0.896 0.950 0.850 CB 1.015 21 residues pruned to eliminate duplicates Z: 14 16.010 1.828 0.624 0.740 0.923 0.615 CB 1.307 14 residues pruned to eliminate duplicates Z: 24 33.771 2.037 0.921 0.939 0.957 0.783 CB 1.307 24 residues pruned to eliminate duplicates Z: 28 39.311 2.121 0.556 0.939 1.000 0.778 CA 1.593 28 residues pruned to eliminate duplicates Z: 23 12.931 1.891 0.189 0.592 0.864 0.636 CA 1.300 23 residues pruned to eliminate duplicates Z: 24 33.197 2.053 0.952 0.906 0.913 0.739 CA 1.345 24 residues pruned to eliminate duplicates Z: 26 43.574 2.055 1.025 0.956 1.000 0.480 CB 1.438 26 residues pruned to eliminate duplicates Z: 28 27.834 1.923 0.398 0.928 1.000 0.852 CA 1.396 28 residues pruned to eliminate duplicates Z: 28 24.844 1.946 0.516 0.899 0.926 0.741 CB 1.251 28 residues pruned to eliminate duplicates Z: 23 36.285 2.057 1.065 0.924 1.000 0.636 CB 1.279 23 residues pruned to eliminate duplicates Z: 26 26.319 1.896 0.695 0.883 0.920 0.560 CB 1.288 26 residues pruned to eliminate duplicates Z: 17 20.151 1.755 0.878 0.889 0.938 0.500 CB 1.174 16 residues pruned to eliminate duplicates Z: 10 18.507 1.894 0.593 0.870 1.000 0.667 CB 1.492 10 residues pruned to eliminate duplicates Z: 26 25.741 2.036 0.553 0.904 0.920 0.760 CB 1.260 26 residues pruned to eliminate duplicates Z: 30 25.851 1.947 0.477 0.899 0.931 0.724 CB 1.281 30 residues pruned to eliminate duplicates Z: 11 9.601 1.668 0.448 0.818 1.000 0.900 CA 0.954 11 residues pruned to eliminate duplicates Z: 11 15.478 1.988 0.550 0.801 1.000 0.500 CA 1.221 11 residues pruned to eliminate duplicates Z: 19 44.834 2.114 1.180 0.952 1.000 0.500 CA 1.580 19 residues pruned to eliminate duplicates Z: 26 39.715 1.961 0.920 0.924 1.000 0.560 CA 1.481 26 residues pruned to eliminate duplicates Z: 26 17.117 1.732 0.209 0.855 0.960 0.720 CA 1.257 26 residues pruned to eliminate duplicates Z: 23 27.705 2.094 0.658 0.935 0.909 0.591 CB 1.304 23 residues pruned to eliminate duplicates Z: 30 30.009 2.021 0.531 0.856 0.931 0.759 CA 1.427 30 residues pruned to eliminate duplicates Z: 12 7.080 1.697 0.166 0.830 1.000 0.818 CB 0.811 12 residues pruned to eliminate duplicates Z: 23 41.992 2.170 0.939 0.929 0.909 0.409 CA 1.638 23 residues pruned to eliminate duplicates Z: 39 33.640 1.983 0.458 0.826 0.947 0.816 CA 1.502 39 residues pruned to eliminate duplicates Z: 22 33.591 2.123 0.737 0.927 1.000 0.905 CA 1.393 22 residues pruned to eliminate duplicates Z: 29 26.824 1.880 0.788 0.887 0.929 0.571 CB 1.170 29 residues pruned to eliminate duplicates Z: 29 29.260 1.933 0.632 0.893 0.964 0.750 CB 1.305 29 residues pruned to eliminate duplicates Z: 20 23.361 1.927 0.473 0.901 1.000 0.526 CA 1.348 20 residues pruned to eliminate duplicates Z: 31 26.958 1.886 0.405 0.882 0.967 0.867 CB 1.391 31 residues pruned to eliminate duplicates Z: 11 11.320 1.895 0.415 0.825 0.900 0.700 CA 1.120 11 residues pruned to eliminate duplicates Z: 12 19.958 2.043 0.663 0.912 1.000 0.818 CB 1.254 12 residues pruned to eliminate duplicates Z: 25 33.516 1.990 0.659 0.930 1.000 0.833 CA 1.449 25 residues pruned to eliminate duplicates Z: 18 24.121 2.024 0.731 0.923 0.941 0.647 CB 1.246 18 residues pruned to eliminate duplicates Z: 22 40.517 2.081 1.177 0.948 1.000 0.762 CB 1.348 23 residues pruned to eliminate duplicates Z: 21 22.431 1.894 0.431 0.903 1.000 0.900 CA 1.319 21 residues pruned to eliminate duplicates Z: 21 24.233 1.840 0.687 0.900 0.950 0.450 CB 1.313 21 residues pruned to eliminate duplicates Z: 26 32.566 2.058 0.503 0.945 0.960 0.800 CA 1.518 26 residues pruned to eliminate duplicates Z: 25 39.060 1.993 0.865 0.940 1.000 0.583 CB 1.489 25 residues pruned to eliminate duplicates Z: 53 34.549 2.025 0.606 0.669 0.846 0.500 CB 1.490 53 residues pruned to eliminate duplicates Z: 24 40.221 2.061 0.924 0.955 1.000 0.478 CB 1.454 24 residues pruned to eliminate duplicates Z: 9 13.852 2.076 0.288 0.912 1.000 0.375 CA 1.297 9 residues pruned to eliminate duplicates Z: 27 35.904 1.946 0.688 0.954 1.000 0.654 CB 1.475 27 residues pruned to eliminate duplicates Z: 29 43.398 2.104 0.803 0.925 1.000 0.643 CA 1.517 29 residues pruned to eliminate duplicates Z: 17 23.835 1.931 0.872 0.899 1.000 0.500 CB 1.178 17 residues pruned to eliminate duplicates Z: 25 28.218 1.792 0.709 0.928 1.000 0.833 CA 1.317 26 residues pruned to eliminate duplicates Z: 13 6.307 1.605 0.241 0.693 0.833 0.583 CB 0.920 12 residues pruned to eliminate duplicates Z: 11 10.934 1.828 0.329 0.881 0.900 0.500 CA 1.146 11 residues pruned to eliminate duplicates Z: 21 13.531 1.717 0.443 0.847 0.950 0.850 CB 0.955 21 residues pruned to eliminate duplicates Z: 21 27.057 1.931 0.764 0.872 0.900 0.450 CB 1.438 21 residues pruned to eliminate duplicates Z: 22 37.112 2.036 1.209 0.938 1.000 0.857 CB 1.252 22 residues pruned to eliminate duplicates Z: 84 55.627 2.064 0.747 0.731 0.952 0.446 CB 1.445 84 residues pruned to eliminate duplicates Z: 21 24.325 2.024 0.680 0.921 0.900 0.400 CB 1.250 22 residues pruned to eliminate duplicates Z: 26 32.764 1.924 0.853 0.894 0.960 0.400 CB 1.373 26 residues pruned to eliminate duplicates Z: 24 25.648 2.042 0.327 0.922 1.000 0.826 CB 1.387 24 residues pruned to eliminate duplicates Z: 17 15.235 1.679 0.808 0.883 1.000 0.875 CB 0.907 17 residues pruned to eliminate duplicates Z: 17 19.976 1.826 0.914 0.914 0.938 0.562 CB 1.078 17 residues pruned to eliminate duplicates Z: 16 7.869 1.732 0.417 0.535 0.800 0.800 CB 1.001 16 residues pruned to eliminate duplicates Z: 20 13.730 1.789 0.363 0.886 0.895 0.526 CB 1.042 20 residues pruned to eliminate duplicates Z: 42 27.364 2.000 0.535 0.700 0.927 0.683 CB 1.251 42 residues pruned to eliminate duplicates Z: 19 24.489 1.913 0.850 0.934 0.833 0.444 CB 1.365 19 residues pruned to eliminate duplicates Z: 6 5.636 1.573 0.083 0.825 1.000 0.800 CA 1.117 4 residues pruned to eliminate duplicates Z: 29 24.345 1.850 0.420 0.920 1.000 0.929 CA 1.233 29 residues pruned to eliminate duplicates Z: 20 26.754 1.939 0.613 0.929 1.000 0.895 CA 1.373 20 residues pruned to eliminate duplicates Z: 12 9.551 1.745 0.019 0.748 0.909 0.727 CA 1.427 12 residues pruned to eliminate duplicates Z: 28 36.962 2.023 0.897 0.923 1.000 0.630 CB 1.302 26 residues pruned to eliminate duplicates Z: 28 23.059 1.914 0.532 0.888 0.963 0.519 CB 1.132 28 residues pruned to eliminate duplicates Z: 26 30.351 2.034 0.467 0.950 1.000 0.840 CB 1.403 26 residues pruned to eliminate duplicates Z: 18 15.579 1.824 0.489 0.811 1.000 0.647 CB 1.062 18 residues pruned to eliminate duplicates Z: 11 12.756 1.896 0.805 0.908 0.900 0.300 CB 0.930 11 residues pruned to eliminate duplicates Z: 11 14.333 1.729 0.455 0.883 0.900 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 23 19.515 1.899 0.288 0.893 0.955 0.727 CB 1.280 23 residues pruned to eliminate duplicates Z: 18 22.260 1.824 0.678 0.930 0.941 0.824 CA 1.311 18 residues pruned to eliminate duplicates Z: 16 11.098 1.850 0.394 0.387 1.000 0.600 CB 1.254 16 residues pruned to eliminate duplicates Z: 30 28.056 1.925 0.457 0.898 0.966 0.655 CB 1.376 30 residues pruned to eliminate duplicates Z: 31 22.520 1.912 0.381 0.907 0.900 0.833 CB 1.230 31 residues pruned to eliminate duplicates Z: 29 36.606 2.031 0.755 0.873 0.964 0.857 CB 1.466 29 residues pruned to eliminate duplicates Z: 24 37.829 2.074 0.836 0.921 0.957 0.696 CB 1.524 24 residues pruned to eliminate duplicates Z: 29 46.649 2.153 0.769 0.922 1.000 0.679 CA 1.627 29 residues pruned to eliminate duplicates Z: 30 20.316 1.822 0.551 0.885 0.862 0.621 CB 1.118 30 residues pruned to eliminate duplicates Z: 10 10.958 1.925 0.253 0.861 1.000 0.556 CA 1.112 10 residues pruned to eliminate duplicates Z: 12 9.140 1.443 0.678 0.871 1.000 0.909 CB 0.830 Z: 27 29.303 1.969 0.652 0.911 1.000 0.577 CB 1.252 27 residues pruned to eliminate duplicates Z: 19 34.967 2.024 1.095 0.943 0.889 0.667 CB 1.515 19 residues pruned to eliminate duplicates Z: 38 32.926 1.973 0.429 0.826 0.946 0.892 CB 1.531 38 residues pruned to eliminate duplicates Z: 11 12.221 1.888 0.786 0.850 0.900 0.500 CB 0.943 11 residues pruned to eliminate duplicates Z: 27 44.148 2.038 1.082 0.941 0.962 0.577 CB 1.473 27 residues pruned to eliminate duplicates Z: 17 14.574 1.748 0.573 0.889 0.812 0.500 CB 1.174 17 residues pruned to eliminate duplicates Z: 27 33.679 1.879 0.759 0.917 1.000 0.577 CA 1.410 26 residues pruned to eliminate duplicates Z: 23 11.582 1.745 0.574 0.386 0.818 0.591 CB 1.241 23 residues pruned to eliminate duplicates Z: 29 24.654 1.825 0.525 0.879 1.000 0.714 CB 1.213 29 residues pruned to eliminate duplicates Z: 13 5.773 1.492 0.391 0.398 0.750 0.667 CB 1.193 12 residues pruned to eliminate duplicates Z: 24 35.589 2.061 0.749 0.943 1.000 0.913 CA 1.426 24 residues pruned to eliminate duplicates Z: 22 23.434 1.791 0.804 0.918 0.952 0.667 CB 1.172 22 residues pruned to eliminate duplicates Z: 25 34.998 2.067 0.749 0.951 1.000 0.667 CB 1.362 25 residues pruned to eliminate duplicates Z: 25 28.215 1.951 0.524 0.928 1.000 0.792 CA 1.357 25 residues pruned to eliminate duplicates Z: 25 30.318 2.091 0.594 0.939 1.000 0.667 CB 1.290 25 residues pruned to eliminate duplicates Z: 17 11.817 1.714 0.418 0.812 1.000 0.562 CB 0.927 17 residues pruned to eliminate duplicates Z: 10 14.932 1.741 0.672 0.883 0.889 0.444 CB 1.391 10 residues pruned to eliminate duplicates Z: 28 21.983 1.878 0.460 0.895 0.926 0.778 CB 1.194 28 residues pruned to eliminate duplicates Z: 25 23.254 1.768 0.602 0.884 0.917 0.708 CB 1.322 25 residues pruned to eliminate duplicates Z: 11 11.294 1.664 0.697 0.875 0.900 0.800 CA 1.022 11 residues pruned to eliminate duplicates Z: 99 61.060 2.053 0.752 0.749 0.949 0.439 CB 1.447 100 residues pruned to eliminate duplicates Z: 21 22.704 2.089 0.367 0.926 1.000 0.900 CB 1.246 21 residues pruned to eliminate duplicates Z: 27 36.050 1.992 0.979 0.909 0.962 0.654 CB 1.324 27 residues pruned to eliminate duplicates Z: 10 17.156 1.903 0.456 0.830 1.000 0.667 CB 1.553 10 residues pruned to eliminate duplicates Z: 19 16.640 1.828 0.446 0.885 0.889 0.667 CB 1.205 19 residues pruned to eliminate duplicates Z: 25 33.681 2.070 0.737 0.950 1.000 0.750 CB 1.319 25 residues pruned to eliminate duplicates Z: 25 27.403 1.776 0.760 0.912 1.000 0.542 CB 1.267 25 residues pruned to eliminate duplicates Z: 24 25.752 1.790 0.722 0.916 1.000 0.870 CB 1.230 24 residues pruned to eliminate duplicates Z: 27 20.861 1.961 0.180 0.910 0.962 0.731 CB 1.305 27 residues pruned to eliminate duplicates Z: 16 24.042 1.991 0.812 0.867 1.000 0.667 CB 1.259 16 residues pruned to eliminate duplicates Z: 10 6.987 1.749 0.424 0.314 0.889 0.444 CB 1.293 Z: 21 13.678 1.971 0.244 0.634 0.900 0.400 CB 1.222 21 residues pruned to eliminate duplicates Z: 26 31.393 2.053 0.436 0.928 1.000 0.880 CA 1.491 26 residues pruned to eliminate duplicates Z: 29 30.454 1.921 0.686 0.920 0.929 0.643 CB 1.347 29 residues pruned to eliminate duplicates Z: 17 15.253 1.704 0.701 0.881 0.938 0.562 CB 1.016 17 residues pruned to eliminate duplicates Z: 7 2.397 1.386 0.438 0.396 0.667 0.500 N 0.822 Z: 73 43.916 2.008 0.722 0.648 0.917 0.486 CB 1.422 73 residues pruned to eliminate duplicates Z: 29 31.206 1.972 0.771 0.919 0.964 0.393 CB 1.234 29 residues pruned to eliminate duplicates Z: 15 15.058 1.854 0.508 0.705 0.857 0.643 CB 1.393 15 residues pruned to eliminate duplicates Z: 73 50.620 2.014 0.759 0.844 0.958 0.639 CB 1.308 71 residues pruned to eliminate duplicates Z: 21 37.111 2.103 1.042 0.945 1.000 0.900 CB 1.338 21 residues pruned to eliminate duplicates Z: 25 28.975 1.810 0.744 0.909 1.000 0.750 CB 1.330 24 residues pruned to eliminate duplicates Z: 16 10.836 1.628 0.764 0.697 0.933 0.600 CB 0.872 16 residues pruned to eliminate duplicates Z: 24 24.379 1.806 0.528 0.925 1.000 0.913 CB 1.292 24 residues pruned to eliminate duplicates Z: 25 29.666 1.998 0.610 0.925 1.000 0.833 CA 1.321 25 residues pruned to eliminate duplicates Z: 12 24.068 2.037 0.779 0.890 1.000 0.636 CB 1.440 12 residues pruned to eliminate duplicates Z: 30 31.927 1.910 0.899 0.918 0.966 0.517 CB 1.194 30 residues pruned to eliminate duplicates Z: 29 20.225 1.801 0.380 0.908 0.964 0.786 CA 1.132 29 residues pruned to eliminate duplicates Z: 22 23.075 1.827 0.672 0.913 0.952 0.571 CB 1.225 22 residues pruned to eliminate duplicates Z: 11 11.862 1.863 0.318 0.857 1.000 0.500 CA 1.126 11 residues pruned to eliminate duplicates Z: 16 15.968 1.835 0.458 0.890 1.000 0.600 CB 1.109 16 residues pruned to eliminate duplicates Z: 22 42.152 2.078 1.254 0.946 1.000 0.429 CB 1.358 22 residues pruned to eliminate duplicates Z: 6 2.869 1.563 0.583 0.390 0.800 0.400 CB 0.728 Z: 29 31.427 2.065 0.384 0.906 1.000 0.964 CA 1.478 29 residues pruned to eliminate duplicates Z: 30 29.823 1.893 0.804 0.894 1.000 0.517 CB 1.163 30 residues pruned to eliminate duplicates Z: 10 7.428 1.542 0.327 0.572 1.000 0.556 CB 1.128 10 residues pruned to eliminate duplicates Z: 23 26.740 1.998 0.581 0.945 1.000 0.818 CB 1.249 23 residues pruned to eliminate duplicates Z: 19 13.668 1.938 0.394 0.598 0.889 0.500 CB 1.222 19 residues pruned to eliminate duplicates Z: 11 6.042 1.428 0.475 0.571 0.900 0.400 CB 0.941 11 residues pruned to eliminate duplicates Z: 25 34.958 2.069 0.740 0.947 1.000 0.750 CB 1.370 25 residues pruned to eliminate duplicates Z: 29 26.697 1.960 0.658 0.896 0.929 0.500 CB 1.198 29 residues pruned to eliminate duplicates Z: 24 27.365 2.102 0.369 0.936 1.000 0.783 CB 1.381 24 residues pruned to eliminate duplicates Z: 8 5.058 1.989 0.210 0.221 0.857 0.571 CB 1.286 8 residues pruned to eliminate duplicates Z: 17 14.676 1.721 0.590 0.884 0.938 0.750 CB 1.034 17 residues pruned to eliminate duplicates Z: 10 8.355 1.543 0.419 0.871 1.000 0.889 CB 0.928 10 residues pruned to eliminate duplicates Z: 27 33.283 1.934 0.723 0.954 1.000 0.615 CB 1.347 27 residues pruned to eliminate duplicates Z: 26 34.479 2.037 0.756 0.905 1.000 0.440 CB 1.372 26 residues pruned to eliminate duplicates Z: 17 18.647 1.718 0.848 0.934 1.000 0.750 CB 1.024 16 residues pruned to eliminate duplicates Z: 37 34.975 1.964 0.500 0.865 0.972 0.778 CB 1.491 37 residues pruned to eliminate duplicates Z: 26 27.648 1.778 0.853 0.912 0.960 0.560 CB 1.238 26 residues pruned to eliminate duplicates Z: 13 13.627 1.713 0.527 0.877 0.917 0.667 CB 1.192 13 residues pruned to eliminate duplicates Z: 19 12.759 1.804 0.382 0.527 0.944 0.667 CB 1.244 20 residues pruned to eliminate duplicates Z: 21 21.054 1.896 0.431 0.878 1.000 0.850 CA 1.259 21 residues pruned to eliminate duplicates Z: 9 3.709 1.411 0.600 0.331 0.625 0.500 CA 1.119 Z: 26 29.970 2.057 0.723 0.924 1.000 0.520 CB 1.188 26 residues pruned to eliminate duplicates Z: 6 3.282 1.604 0.430 0.316 0.800 0.400 CB 0.980 6 residues pruned to eliminate duplicates Z: 21 25.315 1.843 0.691 0.928 0.950 0.700 CB 1.339 22 residues pruned to eliminate duplicates Z: 8 9.035 1.614 0.489 0.891 1.000 1.000 CB 1.021 8 residues pruned to eliminate duplicates Z: 29 50.614 2.147 0.870 0.925 1.000 0.571 CA 1.672 29 residues pruned to eliminate duplicates Z: 8 17.641 2.011 0.812 0.853 1.000 0.857 CB 1.352 8 residues pruned to eliminate duplicates Z: 34 29.478 1.989 0.725 0.751 0.909 0.455 CB 1.315 34 residues pruned to eliminate duplicates Z: 11 8.401 1.539 0.750 0.785 1.000 0.700 CB 0.767 11 residues pruned to eliminate duplicates Z: 13 6.747 1.731 0.425 0.405 0.750 0.250 CA 1.163 13 residues pruned to eliminate duplicates Z: 41 16.632 1.728 0.578 0.694 0.825 0.450 CB 0.979 53 residues pruned to eliminate duplicates Z: 25 36.364 1.961 0.844 0.943 0.958 0.750 CA 1.484 25 residues pruned to eliminate duplicates Z: 39 32.419 1.929 0.821 0.727 1.000 0.579 CB 1.220 39 residues pruned to eliminate duplicates Z: 83 56.722 2.043 0.734 0.842 0.988 0.646 CB 1.334 83 residues pruned to eliminate duplicates Z: 19 26.691 1.908 0.754 0.938 0.944 0.667 CB 1.384 19 residues pruned to eliminate duplicates Z: 29 53.236 2.151 0.945 0.942 1.000 0.643 CB 1.667 29 residues pruned to eliminate duplicates Z: 97 59.000 2.028 0.701 0.729 0.958 0.573 CB 1.483 96 residues pruned to eliminate duplicates Z: 24 17.289 1.914 0.387 0.551 0.957 0.522 CB 1.352 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 36 14.985 1.771 0.362 0.589 0.886 0.743 CB 1.088 74 residues pruned to eliminate duplicates Z: 11 3.843 1.424 0.108 0.368 0.800 0.800 N 1.109 Z: 12 8.436 1.775 0.274 0.773 0.909 0.727 CB 0.972 7 residues pruned to eliminate duplicates Z: 9 3.382 1.624 0.209 0.738 1.000 0.750 CB 0.492 9 residues pruned to eliminate duplicates Z: 26 19.885 1.802 0.556 0.645 0.960 0.680 CB 1.290 13 residues pruned to eliminate duplicates Z: 11 9.495 1.824 0.197 0.852 1.000 0.700 CB 1.017 11 residues pruned to eliminate duplicates Z: 29 23.565 1.859 0.538 0.721 0.929 0.821 CB 1.374 29 residues pruned to eliminate duplicates Z: 12 10.075 1.770 0.354 0.807 0.909 0.727 CB 1.066 12 residues pruned to eliminate duplicates Z: 13 10.866 1.841 0.353 0.708 0.917 0.583 CB 1.137 13 residues pruned to eliminate duplicates Z: 11 10.131 1.761 0.506 0.821 1.000 0.600 CB 0.915 11 residues pruned to eliminate duplicates Z: 13 11.483 1.745 0.394 0.696 1.000 0.750 CB 1.139 13 residues pruned to eliminate duplicates Z: 40 23.147 1.775 0.378 0.751 0.949 0.846 CB 1.276 29 residues pruned to eliminate duplicates Z: 9 10.014 1.868 0.593 0.648 0.750 0.500 CB 1.382 9 residues pruned to eliminate duplicates Z: 42 22.933 1.781 0.402 0.683 0.951 0.634 CB 1.275 39 residues pruned to eliminate duplicates Z: 25 25.017 1.777 0.665 0.894 1.000 0.792 CA 1.239 26 residues pruned to eliminate duplicates Z: 10 13.535 1.788 0.869 0.728 1.000 0.556 CB 1.099 10 residues pruned to eliminate duplicates Z: 21 12.767 1.810 0.288 0.557 0.950 0.700 CB 1.220 21 residues pruned to eliminate duplicates Z: 35 23.331 1.840 0.443 0.731 0.941 0.735 CB 1.301 35 residues pruned to eliminate duplicates Z: 33 20.999 1.795 0.482 0.670 0.938 0.594 CB 1.272 33 residues pruned to eliminate duplicates Z: 24 27.018 1.803 0.667 0.866 1.000 0.739 CA 1.372 24 residues pruned to eliminate duplicates Z: 24 27.456 1.815 0.844 0.903 0.957 0.522 CB 1.275 24 residues pruned to eliminate duplicates Z: 28 22.270 1.808 0.684 0.752 0.926 0.556 CB 1.215 28 residues pruned to eliminate duplicates Z: 23 25.037 1.743 0.693 0.864 1.000 0.591 CB 1.326 23 residues pruned to eliminate duplicates Z: 40 25.263 1.789 0.549 0.727 0.949 0.718 CB 1.254 40 residues pruned to eliminate duplicates Z: 37 22.083 1.825 0.512 0.739 0.889 0.778 CB 1.211 37 residues pruned to eliminate duplicates Z: 26 27.730 1.825 0.682 0.822 1.000 0.640 CB 1.367 25 residues pruned to eliminate duplicates Z: 25 24.801 1.807 0.500 0.933 1.000 0.708 CB 1.304 25 residues pruned to eliminate duplicates Z: 25 24.517 1.798 0.488 0.876 1.000 0.750 CB 1.359 25 residues pruned to eliminate duplicates Z: 10 8.007 1.654 0.183 0.748 0.889 0.778 CA 1.230 10 residues pruned to eliminate duplicates Z: 24 26.153 1.792 0.598 0.921 1.000 0.783 CA 1.340 24 residues pruned to eliminate duplicates Z: 25 27.101 1.788 0.695 0.926 1.000 0.625 CB 1.280 25 residues pruned to eliminate duplicates Z: 26 29.626 1.780 0.831 0.945 1.000 0.600 CA 1.258 26 residues pruned to eliminate duplicates Z: 24 24.481 1.768 0.702 0.895 0.957 0.435 CB 1.271 24 residues pruned to eliminate duplicates Z: 39 25.117 1.775 0.678 0.730 0.947 0.526 CB 1.174 39 residues pruned to eliminate duplicates Z: 31 22.992 1.863 0.652 0.740 0.867 0.500 CB 1.270 31 residues pruned to eliminate duplicates Z: 13 6.468 1.563 0.335 0.566 0.833 0.500 CB 1.007 Z: 9 6.056 1.543 0.432 0.756 1.000 0.375 CB 0.771 9 residues pruned to eliminate duplicates Z: 59 41.028 1.966 0.689 0.774 0.948 0.655 CB 1.343 65 residues pruned to eliminate duplicates Z: 10 5.142 1.530 0.679 0.870 1.000 0.778 CB 0.487 10 residues pruned to eliminate duplicates Z: 64 44.692 1.935 0.665 0.843 0.952 0.730 CB 1.367 61 residues pruned to eliminate duplicates Z: 10 6.618 1.518 0.607 0.796 1.000 0.444 CB 0.698 10 residues pruned to eliminate duplicates Z: 55 42.143 1.997 0.647 0.766 0.981 0.704 CA 1.403 55 residues pruned to eliminate duplicates Z: 16 8.143 1.675 0.509 0.695 0.867 0.467 CB 0.803 18 residues pruned to eliminate duplicates Z: 30 20.868 1.761 0.514 0.872 0.931 0.690 CB 1.138 30 residues pruned to eliminate duplicates Z: 28 26.603 1.868 0.582 0.910 1.000 0.889 CB 1.229 28 residues pruned to eliminate duplicates Z: 22 15.497 1.737 0.680 0.829 1.000 0.429 CB 0.872 22 residues pruned to eliminate duplicates Z: 16 8.718 1.673 0.356 0.684 0.867 0.400 CB 0.967 16 residues pruned to eliminate duplicates Z: 55 39.651 1.969 0.700 0.735 1.000 0.593 CB 1.305 54 residues pruned to eliminate duplicates Z: 27 26.258 1.940 0.575 0.881 0.962 0.692 CA 1.269 27 residues pruned to eliminate duplicates Z: 31 22.005 1.817 0.492 0.798 0.967 0.667 CB 1.181 31 residues pruned to eliminate duplicates Z: 63 40.965 1.954 0.544 0.805 1.000 0.677 CB 1.321 63 residues pruned to eliminate duplicates Z: 54 39.663 1.967 0.780 0.754 0.943 0.642 CB 1.315 54 residues pruned to eliminate duplicates Z: 50 37.617 1.976 0.716 0.723 0.939 0.531 CB 1.380 50 residues pruned to eliminate duplicates Z: 54 38.083 1.956 0.795 0.753 0.943 0.566 CB 1.261 53 residues pruned to eliminate duplicates Z: 20 28.286 1.898 0.803 0.948 1.000 0.526 CB 1.309 20 residues pruned to eliminate duplicates Z: 53 36.800 1.965 0.766 0.753 0.923 0.500 CB 1.272 54 residues pruned to eliminate duplicates Z: 29 32.198 1.884 0.773 0.919 0.964 0.536 CB 1.332 29 residues pruned to eliminate duplicates Z: 51 35.310 1.976 0.625 0.660 0.940 0.600 CB 1.426 51 residues pruned to eliminate duplicates Z: 51 38.099 1.968 0.773 0.689 0.940 0.440 CB 1.382 51 residues pruned to eliminate duplicates Z: 37 48.152 2.111 0.984 0.813 0.972 0.556 CB 1.500 37 residues pruned to eliminate duplicates Z: 37 41.756 2.114 0.841 0.779 0.917 0.417 CB 1.524 37 residues pruned to eliminate duplicates Z: 36 46.117 2.122 0.931 0.807 0.971 0.514 CA 1.499 36 residues pruned to eliminate duplicates Z: 36 42.049 2.120 0.847 0.793 0.943 0.514 CB 1.489 36 residues pruned to eliminate duplicates Z: 62 48.806 1.975 0.730 0.835 0.984 0.557 CB 1.393 62 residues pruned to eliminate duplicates Z: 28 27.827 1.842 0.806 0.927 0.926 0.481 CB 1.218 28 residues pruned to eliminate duplicates Z: 45 50.210 2.066 0.848 0.835 1.000 0.545 CA 1.484 45 residues pruned to eliminate duplicates Z: 44 41.591 2.059 0.735 0.788 0.953 0.651 CA 1.446 44 residues pruned to eliminate duplicates Z: 54 37.586 1.971 0.730 0.753 0.906 0.453 CB 1.334 54 residues pruned to eliminate duplicates Z: 38 47.095 2.136 0.888 0.827 0.973 0.622 CB 1.488 38 residues pruned to eliminate duplicates Z: 41 35.586 2.037 0.808 0.702 0.925 0.575 CB 1.375 41 residues pruned to eliminate duplicates Z: 37 39.359 2.080 0.785 0.804 0.944 0.694 CA 1.435 37 residues pruned to eliminate duplicates Z: 37 44.281 2.104 0.949 0.808 0.972 0.472 CB 1.415 37 residues pruned to eliminate duplicates Z: 42 45.965 2.094 0.734 0.814 1.000 0.634 CA 1.504 42 residues pruned to eliminate duplicates Z: 39 41.960 2.089 0.870 0.741 0.974 0.605 CA 1.442 39 residues pruned to eliminate duplicates Z: 35 46.226 2.141 0.899 0.814 1.000 0.618 CB 1.484 35 residues pruned to eliminate duplicates Z: 38 42.533 2.063 0.858 0.802 0.973 0.568 CB 1.440 38 residues pruned to eliminate duplicates Z: 54 40.106 1.983 0.786 0.749 0.925 0.491 CB 1.347 54 residues pruned to eliminate duplicates Z: 47 52.586 2.091 0.819 0.821 1.000 0.630 CB 1.543 47 residues pruned to eliminate duplicates Z: 39 43.125 2.092 0.924 0.753 0.921 0.553 CA 1.506 39 residues pruned to eliminate duplicates Z: 44 45.995 2.039 0.866 0.856 0.930 0.535 CA 1.461 44 residues pruned to eliminate duplicates Z: 53 44.988 1.992 0.874 0.776 0.962 0.500 CB 1.361 53 residues pruned to eliminate duplicates Z: 36 43.436 2.139 0.918 0.784 0.943 0.457 CB 1.478 36 residues pruned to eliminate duplicates Z: 43 44.022 2.069 0.760 0.798 0.976 0.476 CA 1.473 43 residues pruned to eliminate duplicates Z: 47 49.174 2.059 0.843 0.814 0.978 0.543 CA 1.486 47 residues pruned to eliminate duplicates Z: 46 52.100 2.050 0.946 0.837 0.978 0.378 CB 1.489 46 residues pruned to eliminate duplicates Z: 46 50.690 2.051 0.932 0.841 0.956 0.444 CB 1.488 46 residues pruned to eliminate duplicates Z: 58 41.587 1.953 0.780 0.729 0.930 0.368 CB 1.387 58 residues pruned to eliminate duplicates Z: 46 51.069 2.056 0.853 0.863 1.000 0.533 CB 1.466 46 residues pruned to eliminate duplicates Z: 47 48.091 2.019 0.990 0.812 0.957 0.370 CB 1.406 47 residues pruned to eliminate duplicates Z: 32 43.257 2.112 0.836 0.826 1.000 0.581 CA 1.510 32 residues pruned to eliminate duplicates Z: 46 52.339 2.056 0.946 0.872 0.978 0.489 CB 1.453 48 residues pruned to eliminate duplicates Z: 20 30.387 1.933 0.905 0.942 0.947 0.684 CB 1.386 20 residues pruned to eliminate duplicates Z: 58 45.556 1.978 0.824 0.792 0.947 0.474 CB 1.366 58 residues pruned to eliminate duplicates Z: 61 45.753 1.932 0.836 0.807 0.950 0.383 CB 1.341 61 residues pruned to eliminate duplicates Z: 44 49.834 2.073 0.944 0.860 0.953 0.488 CB 1.455 44 residues pruned to eliminate duplicates Z: 29 16.552 1.842 0.457 0.712 0.964 0.643 CB 0.997 28 residues pruned to eliminate duplicates Z: 11 7.541 1.570 0.346 0.870 1.000 0.500 CB 0.824 4 residues pruned to eliminate duplicates Z: 9 4.969 1.542 0.193 0.872 1.000 0.750 CB 0.696 9 residues pruned to eliminate duplicates Z: 37 19.355 1.828 0.331 0.788 0.944 0.722 CB 1.090 36 residues pruned to eliminate duplicates Z: 24 16.411 1.798 0.412 0.862 0.957 0.565 CB 1.035 24 residues pruned to eliminate duplicates Z: 6 4.730 1.540 0.907 0.703 0.800 0.400 CA 0.748 6 residues pruned to eliminate duplicates Z: 38 21.609 1.817 0.496 0.798 0.919 0.676 CB 1.096 38 residues pruned to eliminate duplicates Z: 24 16.959 1.821 0.409 0.885 0.913 0.609 CB 1.090 24 residues pruned to eliminate duplicates Z: 29 23.170 1.910 0.537 0.734 0.964 0.679 CB 1.254 29 residues pruned to eliminate duplicates Z: 25 17.166 1.832 0.610 0.625 0.875 0.583 CB 1.206 25 residues pruned to eliminate duplicates Z: 22 21.291 1.933 0.744 0.764 0.905 0.667 CB 1.205 22 residues pruned to eliminate duplicates Z: 32 24.087 1.875 0.695 0.744 0.903 0.677 CB 1.212 32 residues pruned to eliminate duplicates Z: 35 22.645 1.850 0.562 0.763 0.912 0.824 CB 1.167 35 residues pruned to eliminate duplicates Z: 21 20.533 1.907 0.803 0.681 0.850 0.600 CB 1.330 21 residues pruned to eliminate duplicates Z: 25 22.327 1.837 0.770 0.702 0.958 0.625 CB 1.217 25 residues pruned to eliminate duplicates Z: 36 25.203 1.876 0.626 0.773 0.943 0.800 CB 1.163 36 residues pruned to eliminate duplicates Z: 33 24.143 1.909 0.609 0.796 0.938 0.781 CB 1.144 33 residues pruned to eliminate duplicates Z: 36 24.290 1.806 0.561 0.751 0.971 0.714 CB 1.199 36 residues pruned to eliminate duplicates Z: 23 18.840 1.876 0.663 0.706 0.909 0.727 CB 1.174 23 residues pruned to eliminate duplicates Z: 22 18.255 1.849 0.796 0.665 0.857 0.619 CB 1.202 22 residues pruned to eliminate duplicates Z: 33 26.844 1.888 0.728 0.797 0.938 0.688 CB 1.196 33 residues pruned to eliminate duplicates Z: 29 19.653 1.800 0.721 0.784 0.964 0.643 CB 0.968 29 residues pruned to eliminate duplicates Z: 19 21.793 1.939 0.806 0.757 0.944 0.722 CB 1.235 19 residues pruned to eliminate duplicates Z: 23 21.214 1.932 0.803 0.712 0.909 0.591 CB 1.179 23 residues pruned to eliminate duplicates Z: 31 20.792 1.819 0.594 0.682 0.967 0.633 CB 1.146 31 residues pruned to eliminate duplicates Z: 31 25.933 1.906 0.706 0.757 0.933 0.667 CB 1.241 31 residues pruned to eliminate duplicates Z: 31 21.009 1.886 0.554 0.731 0.867 0.567 CB 1.227 31 residues pruned to eliminate duplicates Z: 33 24.624 1.894 0.603 0.795 0.969 0.781 CB 1.142 33 residues pruned to eliminate duplicates Z: 23 14.179 1.699 0.702 0.733 0.909 0.682 CB 0.933 23 residues pruned to eliminate duplicates Z: 36 27.223 1.856 0.790 0.778 0.943 0.571 CB 1.149 36 residues pruned to eliminate duplicates Z: 34 23.115 1.866 0.705 0.761 0.909 0.667 CB 1.103 34 residues pruned to eliminate duplicates Z: 29 20.535 1.862 0.763 0.658 0.857 0.679 CB 1.191 29 residues pruned to eliminate duplicates Z: 21 12.251 1.669 0.447 0.722 0.800 0.650 CB 1.160 21 residues pruned to eliminate duplicates Z: 14 14.098 1.718 0.784 0.768 0.846 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 13 10.016 1.725 0.776 0.680 0.833 0.583 CB 0.959 13 residues pruned to eliminate duplicates Z: 32 22.014 1.851 0.781 0.726 0.839 0.581 CB 1.166 32 residues pruned to eliminate duplicates Z: 13 15.576 1.749 0.957 0.824 1.000 0.667 CB 0.992 13 residues pruned to eliminate duplicates Z: 27 17.443 1.803 0.745 0.587 0.846 0.615 CB 1.182 27 residues pruned to eliminate duplicates Z: 17 17.525 1.744 0.906 0.869 1.000 0.750 CB 0.962 17 residues pruned to eliminate duplicates Z: 39 31.639 1.843 0.880 0.829 1.000 0.763 CB 1.114 39 residues pruned to eliminate duplicates Z: 21 19.074 1.765 0.801 0.908 0.950 0.650 CB 1.003 21 residues pruned to eliminate duplicates Z: 20 20.004 1.797 0.879 0.933 0.947 0.789 CB 1.002 20 residues pruned to eliminate duplicates Z: 17 20.316 1.710 1.014 0.897 1.000 0.562 CB 1.056 17 residues pruned to eliminate duplicates Z: 37 25.127 1.801 0.988 0.728 0.833 0.472 CB 1.143 37 residues pruned to eliminate duplicates Z: 32 25.302 2.049 0.455 0.618 0.935 0.774 CA 1.458 32 residues pruned to eliminate duplicates Z: 19 10.580 1.758 0.518 0.336 0.944 0.667 CB 1.184 19 residues pruned to eliminate duplicates Z: 14 9.368 1.833 0.328 0.384 1.000 0.692 CA 1.207 14 residues pruned to eliminate duplicates Z: 9 6.992 1.471 0.870 0.505 0.875 0.750 CA 1.022 9 residues pruned to eliminate duplicates Z: 6 2.233 2.013 -0.015 0.170 0.800 0.600 CB 0.939 6 residues pruned to eliminate duplicates Z: 129 59.493 2.025 0.540 0.714 0.961 0.695 CB 1.446 129 residues pruned to eliminate duplicates Z: 98 56.192 2.077 0.449 0.743 0.979 0.701 CA 1.557 98 residues pruned to eliminate duplicates Z: 44 40.225 2.031 0.666 0.735 0.977 0.767 CA 1.502 44 residues pruned to eliminate duplicates Z: 100 57.550 2.072 0.472 0.740 0.990 0.727 CB 1.545 100 residues pruned to eliminate duplicates Z: 30 28.772 2.096 0.455 0.689 1.000 0.724 CB 1.474 30 residues pruned to eliminate duplicates Z: 30 27.775 2.102 0.479 0.648 1.000 0.828 CB 1.446 30 residues pruned to eliminate duplicates Z: 43 37.359 2.033 0.522 0.753 1.000 0.762 CB 1.487 43 residues pruned to eliminate duplicates Z: 45 35.113 2.000 0.519 0.719 0.977 0.773 CB 1.463 45 residues pruned to eliminate duplicates Z: 33 25.050 2.029 0.519 0.592 0.938 0.719 CB 1.404 33 residues pruned to eliminate duplicates Z: 78 55.721 2.084 0.526 0.792 0.987 0.779 CA 1.566 78 residues pruned to eliminate duplicates Z: 77 54.101 2.093 0.510 0.796 0.974 0.763 CA 1.556 77 residues pruned to eliminate duplicates Z: 79 58.770 2.089 0.599 0.784 0.987 0.718 CA 1.572 79 residues pruned to eliminate duplicates Z: 19 21.599 2.089 0.790 0.625 0.889 0.444 CB 1.361 19 residues pruned to eliminate duplicates Z: 131 63.745 2.047 0.543 0.747 0.946 0.662 CB 1.500 131 residues pruned to eliminate duplicates Z: 65 49.734 2.064 0.661 0.765 0.938 0.609 CB 1.529 65 residues pruned to eliminate duplicates Z: 31 27.017 2.032 0.544 0.645 1.000 0.633 CB 1.373 31 residues pruned to eliminate duplicates Z: 77 56.794 2.074 0.606 0.788 0.987 0.711 CB 1.539 77 residues pruned to eliminate duplicates Z: 119 68.329 2.072 0.640 0.753 0.983 0.661 CB 1.502 119 residues pruned to eliminate duplicates Z: 23 19.843 1.974 0.646 0.610 0.909 0.409 CB 1.291 23 residues pruned to eliminate duplicates Z: 40 34.120 2.034 0.613 0.651 1.000 0.564 CB 1.447 40 residues pruned to eliminate duplicates Z: 80 62.259 2.068 0.667 0.783 1.000 0.734 CB 1.583 80 residues pruned to eliminate duplicates Z: 83 56.208 2.055 0.633 0.765 0.951 0.622 CB 1.537 83 residues pruned to eliminate duplicates Z: 101 60.161 2.058 0.621 0.732 0.970 0.670 CB 1.509 101 residues pruned to eliminate duplicates Z: 121 62.123 2.064 0.573 0.729 0.958 0.692 CB 1.483 121 residues pruned to eliminate duplicates Z: 125 66.043 2.068 0.616 0.771 0.944 0.669 CB 1.480 125 residues pruned to eliminate duplicates Z: 110 60.039 2.031 0.618 0.749 0.927 0.587 CB 1.512 110 residues pruned to eliminate duplicates Z: 61 51.052 2.061 0.740 0.762 0.967 0.600 CB 1.506 61 residues pruned to eliminate duplicates Z: 93 63.665 2.073 0.696 0.754 0.978 0.587 CB 1.540 93 residues pruned to eliminate duplicates Z: 124 64.007 2.020 0.697 0.714 0.951 0.561 CB 1.459 124 residues pruned to eliminate duplicates Z: 28 37.282 1.960 0.792 0.935 1.000 0.519 CB 1.425 28 residues pruned to eliminate duplicates Z: 100 59.644 2.064 0.613 0.742 0.960 0.596 CB 1.510 100 residues pruned to eliminate duplicates Z: 67 44.965 2.044 0.528 0.733 0.939 0.636 CB 1.530 67 residues pruned to eliminate duplicates Z: 88 59.971 2.086 0.710 0.753 0.931 0.483 CB 1.545 88 residues pruned to eliminate duplicates Z: 101 61.503 2.061 0.626 0.729 0.980 0.600 CB 1.524 101 residues pruned to eliminate duplicates Z: 96 57.531 2.048 0.623 0.751 0.958 0.600 CB 1.482 96 residues pruned to eliminate duplicates Z: 79 63.051 2.081 0.737 0.789 0.987 0.667 CB 1.551 79 residues pruned to eliminate duplicates Z: 90 58.226 2.066 0.630 0.760 0.966 0.697 CB 1.505 90 residues pruned to eliminate duplicates Z: 96 59.647 2.082 0.661 0.705 0.979 0.653 CB 1.500 96 residues pruned to eliminate duplicates Z: 68 45.777 2.028 0.599 0.696 0.940 0.657 CB 1.533 68 residues pruned to eliminate duplicates Z: 65 50.593 2.025 0.717 0.762 0.984 0.500 CB 1.464 65 residues pruned to eliminate duplicates Z: 74 57.092 2.035 0.827 0.752 0.986 0.521 CB 1.455 74 residues pruned to eliminate duplicates Z: 36 39.057 2.105 0.636 0.792 0.943 0.686 CA 1.573 36 residues pruned to eliminate duplicates Z: 65 42.584 2.040 0.568 0.672 0.922 0.625 CB 1.541 65 residues pruned to eliminate duplicates Z: 56 39.817 2.088 0.425 0.707 0.982 0.618 CA 1.522 56 residues pruned to eliminate duplicates Z: 67 44.199 2.029 0.501 0.724 0.985 0.606 CB 1.482 67 residues pruned to eliminate duplicates Z: 58 38.112 2.039 0.508 0.698 0.912 0.596 CB 1.502 58 residues pruned to eliminate duplicates Z: 68 44.974 2.032 0.593 0.695 0.940 0.552 CB 1.512 68 residues pruned to eliminate duplicates Z: 65 63.109 2.106 0.824 0.828 0.969 0.609 CB 1.596 65 residues pruned to eliminate duplicates Z: 99 62.330 2.070 0.636 0.755 1.000 0.541 CB 1.481 99 residues pruned to eliminate duplicates Z: 67 45.979 2.022 0.538 0.716 0.970 0.545 CB 1.543 67 residues pruned to eliminate duplicates Z: 106 65.876 2.075 0.648 0.784 0.971 0.562 CB 1.508 106 residues pruned to eliminate duplicates Z: 121 61.729 2.032 0.712 0.740 0.942 0.583 CB 1.387 121 residues pruned to eliminate duplicates Z: 84 45.688 2.034 0.652 0.655 0.904 0.494 CB 1.430 84 residues pruned to eliminate duplicates Z: 63 52.956 2.079 0.663 0.762 0.984 0.500 CB 1.566 63 residues pruned to eliminate duplicates Z: 150 64.907 2.017 0.621 0.729 0.940 0.624 CB 1.408 150 residues pruned to eliminate duplicates Z: 121 64.870 2.052 0.719 0.744 0.933 0.467 CB 1.446 121 residues pruned to eliminate duplicates Z: 98 61.353 2.041 0.756 0.721 0.969 0.557 CB 1.469 98 residues pruned to eliminate duplicates Z: 87 45.307 2.028 0.618 0.652 0.884 0.523 CB 1.463 87 residues pruned to eliminate duplicates Z: 100 62.836 2.057 0.704 0.741 0.980 0.475 CB 1.483 100 residues pruned to eliminate duplicates Z: 86 68.086 2.106 0.817 0.792 0.976 0.529 CB 1.530 86 residues pruned to eliminate duplicates Z: 24 33.204 2.039 0.916 0.795 0.870 0.478 CA 1.573 24 residues pruned to eliminate duplicates Z: 56 48.575 2.086 0.718 0.728 0.964 0.491 CB 1.545 56 residues pruned to eliminate duplicates Z: 64 51.455 2.052 0.770 0.739 0.968 0.397 CB 1.488 64 residues pruned to eliminate duplicates Z: 57 44.075 2.064 0.708 0.727 0.911 0.411 CB 1.495 57 residues pruned to eliminate duplicates Z: 100 66.534 2.070 0.776 0.748 0.980 0.525 CB 1.488 100 residues pruned to eliminate duplicates Z: 57 45.336 2.068 0.680 0.695 0.964 0.464 CB 1.514 57 residues pruned to eliminate duplicates Z: 85 63.707 2.079 0.851 0.772 0.952 0.452 CB 1.491 85 residues pruned to eliminate duplicates Z: 55 48.863 2.099 0.661 0.729 1.000 0.500 CB 1.551 55 residues pruned to eliminate duplicates Z: 64 54.164 2.075 0.731 0.735 0.984 0.508 CB 1.563 64 residues pruned to eliminate duplicates Z: 56 44.826 2.073 0.659 0.725 0.945 0.509 CB 1.518 56 residues pruned to eliminate duplicates Z: 77 49.260 2.080 0.623 0.713 0.947 0.566 CB 1.457 77 residues pruned to eliminate duplicates Z: 124 69.838 2.066 0.699 0.761 0.976 0.577 CB 1.458 124 residues pruned to eliminate duplicates Z: 102 62.274 2.054 0.723 0.732 0.970 0.495 CB 1.464 103 residues pruned to eliminate duplicates Z: 15 10.220 1.867 0.624 0.668 0.786 0.571 CA 0.982 15 residues pruned to eliminate duplicates Z: 30 14.899 1.842 0.372 0.472 0.897 0.310 CB 1.255 30 residues pruned to eliminate duplicates Z: 81 53.597 2.089 0.616 0.758 0.963 0.613 CB 1.466 81 residues pruned to eliminate duplicates Z: 68 39.468 1.995 0.587 0.643 0.955 0.373 CB 1.395 68 residues pruned to eliminate duplicates Z: 68 45.942 2.027 0.700 0.711 0.910 0.433 CB 1.477 68 residues pruned to eliminate duplicates Z: 12 17.649 2.020 0.481 0.792 1.000 0.636 CA 1.377 12 residues pruned to eliminate duplicates Z: 23 17.095 1.976 0.374 0.615 0.864 0.591 CB 1.394 23 residues pruned to eliminate duplicates Z: 36 22.657 1.962 0.458 0.609 0.971 0.486 CB 1.243 36 residues pruned to eliminate duplicates Z: 43 36.083 2.061 0.696 0.699 0.905 0.524 CB 1.469 43 residues pruned to eliminate duplicates Z: 112 68.119 2.070 0.731 0.730 0.991 0.495 CB 1.480 112 residues pruned to eliminate duplicates Z: 79 50.357 2.071 0.660 0.720 0.949 0.500 CB 1.432 79 residues pruned to eliminate duplicates Z: 109 58.265 2.050 0.684 0.712 0.898 0.481 CB 1.492 109 residues pruned to eliminate duplicates Z: 13 15.168 1.996 0.477 0.673 1.000 0.583 CA 1.266 13 residues pruned to eliminate duplicates Z: 113 72.321 2.096 0.795 0.799 0.955 0.562 CB 1.463 113 residues pruned to eliminate duplicates Z: 94 57.454 2.058 0.679 0.767 0.957 0.613 CB 1.422 94 residues pruned to eliminate duplicates Z: 124 65.026 2.053 0.649 0.747 0.951 0.593 CB 1.459 124 residues pruned to eliminate duplicates Z: 94 47.465 2.018 0.579 0.673 0.935 0.570 CB 1.408 94 residues pruned to eliminate duplicates Z: 87 51.027 2.044 0.648 0.724 0.919 0.465 CB 1.453 87 residues pruned to eliminate duplicates Z: 19 32.412 2.108 0.734 0.848 1.000 0.500 CA 1.551 19 residues pruned to eliminate duplicates Z: 37 33.311 2.082 0.518 0.820 1.000 0.583 CB 1.331 37 residues pruned to eliminate duplicates Z: 86 52.260 2.026 0.735 0.785 0.953 0.718 CB 1.317 86 residues pruned to eliminate duplicates Z: 26 30.063 2.072 0.653 0.852 0.960 0.560 CB 1.352 26 residues pruned to eliminate duplicates Z: 94 55.177 2.027 0.753 0.741 0.935 0.473 CB 1.387 94 residues pruned to eliminate duplicates Z: 24 24.759 2.029 0.587 0.726 0.957 0.565 CB 1.367 24 residues pruned to eliminate duplicates Z: 60 37.865 1.993 0.611 0.800 0.915 0.593 CB 1.291 60 residues pruned to eliminate duplicates Z: 53 32.733 1.930 0.635 0.749 0.904 0.577 CB 1.274 53 residues pruned to eliminate duplicates Z: 28 28.816 2.032 0.684 0.792 0.926 0.444 CB 1.355 28 residues pruned to eliminate duplicates Z: 25 35.697 2.101 0.717 0.938 1.000 0.625 CB 1.405 25 residues pruned to eliminate duplicates Z: 122 66.207 2.064 0.729 0.742 0.959 0.570 CB 1.416 122 residues pruned to eliminate duplicates Z: 25 23.396 2.055 0.716 0.673 0.875 0.583 CB 1.320 25 residues pruned to eliminate duplicates Z: 21 29.337 2.160 0.664 0.927 0.900 0.400 CB 1.421 21 residues pruned to eliminate duplicates Z: 38 30.288 1.985 0.753 0.731 0.919 0.486 CB 1.265 38 residues pruned to eliminate duplicates Z: 25 32.767 2.086 0.602 0.936 1.000 0.542 CB 1.393 25 residues pruned to eliminate duplicates Z: 90 52.119 2.015 0.644 0.805 0.966 0.798 CB 1.323 90 residues pruned to eliminate duplicates Z: 24 31.484 2.072 0.656 0.946 1.000 0.652 CB 1.323 24 residues pruned to eliminate duplicates Z: 24 32.420 2.103 0.627 0.949 1.000 0.652 CB 1.364 24 residues pruned to eliminate duplicates Z: 24 34.169 2.131 0.736 0.939 1.000 0.652 CB 1.338 24 residues pruned to eliminate duplicates Z: 188 82.600 2.051 0.723 0.763 0.963 0.540 CB 1.406 188 residues pruned to eliminate duplicates Z: 89 57.622 2.048 0.760 0.808 0.977 0.659 CB 1.333 89 residues pruned to eliminate duplicates Z: 89 58.615 2.031 0.795 0.819 0.966 0.670 CB 1.345 89 residues pruned to eliminate duplicates Z: 170 70.517 2.023 0.631 0.733 0.976 0.621 CB 1.365 170 residues pruned to eliminate duplicates Z: 188 85.117 2.048 0.744 0.783 0.979 0.551 CB 1.387 188 residues pruned to eliminate duplicates Z: 56 43.864 1.995 0.716 0.846 0.982 0.564 CB 1.307 56 residues pruned to eliminate duplicates Z: 64 37.629 1.963 0.569 0.726 0.937 0.698 CB 1.341 64 residues pruned to eliminate duplicates Z: 15 19.611 1.937 0.843 0.676 1.000 0.357 CB 1.248 15 residues pruned to eliminate duplicates Z: 62 43.265 2.020 0.712 0.783 0.951 0.738 CB 1.313 62 residues pruned to eliminate duplicates Z: 189 80.983 2.046 0.711 0.773 0.952 0.548 CB 1.392 189 residues pruned to eliminate duplicates Z: 89 54.589 2.042 0.671 0.809 0.977 0.580 CB 1.334 89 residues pruned to eliminate duplicates Z: 90 53.537 2.026 0.708 0.796 0.944 0.742 CB 1.340 90 residues pruned to eliminate duplicates Z: 89 55.794 2.043 0.803 0.806 0.943 0.659 CB 1.311 89 residues pruned to eliminate duplicates Z: 117 63.168 2.056 0.679 0.772 0.940 0.509 CB 1.421 117 residues pruned to eliminate duplicates Z: 88 48.865 2.006 0.733 0.771 0.954 0.678 CB 1.243 88 residues pruned to eliminate duplicates Z: 42 40.634 2.013 0.792 0.854 1.000 0.561 CB 1.299 42 residues pruned to eliminate duplicates Z: 32 28.373 1.965 0.671 0.795 0.935 0.581 CB 1.281 32 residues pruned to eliminate duplicates Z: 56 44.814 1.996 0.741 0.854 1.000 0.564 CB 1.284 56 residues pruned to eliminate duplicates Z: 151 71.381 2.017 0.759 0.780 0.947 0.540 CB 1.356 151 residues pruned to eliminate duplicates Z: 146 69.155 2.046 0.701 0.767 0.952 0.628 CB 1.369 146 residues pruned to eliminate duplicates Z: 111 51.382 2.005 0.606 0.745 0.936 0.645 CB 1.306 111 residues pruned to eliminate duplicates Z: 153 70.843 2.027 0.733 0.755 0.934 0.539 CB 1.395 153 residues pruned to eliminate duplicates Z: 139 70.083 2.047 0.664 0.777 0.978 0.609 CB 1.402 139 residues pruned to eliminate duplicates Z: 109 51.664 2.002 0.627 0.709 0.963 0.639 CB 1.312 109 residues pruned to eliminate duplicates Z: 90 52.359 2.030 0.726 0.797 0.933 0.730 CB 1.309 90 residues pruned to eliminate duplicates Z: 94 47.664 1.979 0.640 0.770 0.925 0.602 CB 1.296 94 residues pruned to eliminate duplicates Z: 90 54.396 2.012 0.768 0.790 0.955 0.640 CB 1.316 91 residues pruned to eliminate duplicates Z: 31 27.919 1.899 0.768 0.901 0.933 0.500 CB 1.161 31 residues pruned to eliminate duplicates Z: 66 43.896 2.003 0.739 0.768 0.954 0.723 CB 1.293 66 residues pruned to eliminate duplicates Z: 88 49.933 2.001 0.637 0.781 0.977 0.621 CB 1.306 88 residues pruned to eliminate duplicates Z: 126 67.620 2.055 0.760 0.801 0.936 0.656 CB 1.373 126 residues pruned to eliminate duplicates Z: 90 56.897 2.041 0.807 0.804 0.955 0.652 CB 1.313 90 residues pruned to eliminate duplicates Z: 91 58.911 2.015 0.894 0.794 0.967 0.556 CB 1.300 91 residues pruned to eliminate duplicates Z: 31 31.526 1.972 0.854 0.896 0.933 0.567 CB 1.208 31 residues pruned to eliminate duplicates Z: 88 57.173 2.054 0.764 0.812 0.989 0.655 CB 1.305 88 residues pruned to eliminate duplicates Z: 89 56.638 2.044 0.814 0.802 0.943 0.682 CB 1.326 89 residues pruned to eliminate duplicates Z: 86 56.490 2.039 0.819 0.809 0.953 0.576 CB 1.325 86 residues pruned to eliminate duplicates Z: 88 59.440 2.034 0.876 0.795 0.954 0.552 CB 1.351 88 residues pruned to eliminate duplicates Z: 35 27.334 2.028 0.600 0.661 0.941 0.706 CB 1.322 35 residues pruned to eliminate duplicates Z: 158 74.884 2.036 0.735 0.773 0.962 0.624 CB 1.382 158 residues pruned to eliminate duplicates Z: 89 55.176 2.040 0.754 0.804 0.977 0.693 CB 1.290 89 residues pruned to eliminate duplicates Z: 174 77.079 2.041 0.773 0.763 0.942 0.566 CB 1.361 174 residues pruned to eliminate duplicates Z: 91 57.068 2.007 0.828 0.794 0.967 0.633 CB 1.311 91 residues pruned to eliminate duplicates Z: 89 58.180 2.031 0.831 0.822 0.955 0.659 CB 1.322 91 residues pruned to eliminate duplicates Z: 23 40.872 2.068 1.152 0.932 1.000 0.727 CA 1.367 23 residues pruned to eliminate duplicates Z: 171 80.586 2.038 0.828 0.776 0.953 0.494 CB 1.364 171 residues pruned to eliminate duplicates Z: 91 58.348 2.026 0.842 0.806 0.967 0.622 CB 1.305 91 residues pruned to eliminate duplicates Z: 64 44.861 2.001 0.820 0.777 0.937 0.619 CB 1.298 64 residues pruned to eliminate duplicates Z: 88 55.643 2.003 0.761 0.785 0.989 0.655 CB 1.331 88 residues pruned to eliminate duplicates Z: 90 57.815 2.025 0.797 0.813 0.966 0.618 CB 1.328 90 residues pruned to eliminate duplicates Z: 65 46.584 1.999 0.848 0.761 0.953 0.578 CB 1.312 65 residues pruned to eliminate duplicates Z: 53 38.502 1.995 0.846 0.735 0.904 0.654 CB 1.299 53 residues pruned to eliminate duplicates Z: 89 56.053 2.018 0.821 0.807 0.966 0.534 CB 1.288 89 residues pruned to eliminate duplicates Z: 91 55.938 2.015 0.827 0.801 0.956 0.544 CB 1.289 91 residues pruned to eliminate duplicates Z: 90 58.260 2.028 0.841 0.814 0.966 0.596 CB 1.302 90 residues pruned to eliminate duplicates Z: 89 56.777 2.024 0.825 0.813 0.943 0.591 CB 1.323 89 residues pruned to eliminate duplicates Z: 186 80.516 2.030 0.771 0.759 0.962 0.562 CB 1.359 186 residues pruned to eliminate duplicates Z: 39 28.458 1.876 0.900 0.628 0.921 0.474 CB 1.247 39 residues pruned to eliminate duplicates Z: 176 86.233 2.056 0.866 0.785 0.949 0.537 CB 1.394 176 residues pruned to eliminate duplicates Z: 86 54.502 2.009 0.837 0.807 0.941 0.553 CB 1.303 86 residues pruned to eliminate duplicates Z: 36 25.304 1.906 0.886 0.585 0.943 0.371 CB 1.163 36 residues pruned to eliminate duplicates Z: 90 59.819 2.035 0.831 0.810 0.978 0.584 CB 1.329 90 residues pruned to eliminate duplicates Z: 188 78.878 2.041 0.726 0.747 0.941 0.572 CB 1.395 188 residues pruned to eliminate duplicates Z: 88 56.545 2.036 0.808 0.808 0.954 0.609 CB 1.320 88 residues pruned to eliminate duplicates 7 1.419 1.730 0.243 0.083 0.667 0.500 CB 0.693 ? Z: 6 3.342 1.836 0.383 0.117 0.800 0.200 CB 1.192 4 residues pruned to eliminate duplicates 338 residues left after pruning, divided into chains as follows: A: 39 B: 63 C: 47 D: 189 CC for partial structure against native data = 44.90 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.348, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.394, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.470, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.474, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.482, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.488, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.493, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.498, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.502, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.505, Connect. = 0.767 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.52 - 3.56 - 3.10 - 2.81 - 2.60 - 2.45 - 2.32 - 2.22 - 2.13 - 2.06 0.561 0.628 0.635 0.594 0.630 0.644 0.629 0.579 0.527 0.499 0.692 0.781 0.810 0.756 0.790 0.818 0.790 0.737 0.665 0.611 N 2341 2345 2337 2336 2418 2246 2456 2271 2439 2178 Estimated mean FOM = 0.593 Pseudo-free CC = 62.23 % Best trace (cycle 4 with CC 44.90%) was saved as ./2itb-2.0-parrot-mrncs/2itb-2.0-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.2 - Setup, data input and phasing 2.1 - FFTs and peak-searches 7.9 - Sphere of influence 0.3 - Rest of density modification 0.0 - Alpha-helix search 585.5 - Tripeptide search 9181.7 - Chain tracing 0.0 - NCS analysis 13.2 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:01:26 Total time: 9791.20 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 163.99 Used memory is bytes: 9204384