++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:59:15 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.ins Phases from ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.phi Native data from ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.hkl Listing output to ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.lst Phases output to ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.phs Poly-Ala trace output to ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 97604 Reflections read from file ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.phi 97604 Reflections read from file ./2a3n-1.2-parrot-noncs/2a3n-1.2-parrot-noncs.hkl 97604 Unique data, highest resolution = 1.230 Angstroms Anisotropic scaling: intensities multiplied by 0.000174h^2 -0.000063k^2 -0.000251l^2 +0.000000kl -0.000249hl +0.000000hk 9 Reflections with d > 1.430 and 0 in range 1.430 > d > 1.230 added Density sharpening factor set to 1.90 Fourier grid = 256 x 256 x 61 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 56 Extra Fourier layers will be generated <|E^2-1|> = 0.686 = 0.292, Contrast = 0.182, Connect. = 0.631 for dens.mod. cycle 1 = 0.300, Contrast = 0.393, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.577, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.627, Connect. = 0.825 for dens.mod. cycle 4 = 0.300, Contrast = 0.646, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.837 for dens.mod. cycle 6 = 0.300, Contrast = 0.662, Connect. = 0.839 for dens.mod. cycle 7 = 0.300, Contrast = 0.666, Connect. = 0.840 for dens.mod. cycle 8 = 0.300, Contrast = 0.669, Connect. = 0.841 for dens.mod. cycle 9 = 0.300, Contrast = 0.671, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2329 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 428 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 42.091 2.306 0.842 0.846 0.889 0.778 CB 1.952 B: 22 78.648 2.585 1.131 0.931 1.000 0.905 C 2.177 C: 22 67.169 2.600 0.920 0.907 0.952 0.857 C 2.192 22 residues pruned to eliminate duplicates D: 18 46.583 2.363 0.836 0.898 0.941 0.882 C 1.980 19 residues pruned to eliminate duplicates E: 22 78.671 2.573 1.196 0.930 1.000 0.810 C 2.126 22 residues pruned to eliminate duplicates F: 20 86.335 2.803 1.083 0.942 1.000 0.842 C 2.352 21 residues pruned to eliminate duplicates G: 31 73.389 2.350 1.039 0.932 1.000 0.800 C 1.952 H: 11 25.405 2.070 0.782 0.848 0.900 0.800 CB 1.795 I: 19 39.262 2.473 0.758 0.772 0.889 0.778 CB 1.882 J: 17 53.746 2.493 0.988 0.868 0.938 0.812 CB 2.113 18 residues pruned to eliminate duplicates K: 17 55.140 2.471 0.929 0.902 1.000 0.812 C 2.062 17 residues pruned to eliminate duplicates L: 11 26.046 2.073 0.821 0.882 0.900 0.800 C 1.755 11 residues pruned to eliminate duplicates M: 19 45.924 2.334 0.865 0.873 0.944 0.778 C 1.918 19 residues pruned to eliminate duplicates N: 21 76.213 2.646 1.040 0.898 1.000 0.850 CB 2.260 21 residues pruned to eliminate duplicates O: 22 71.064 2.542 1.056 0.882 1.000 0.762 C 2.148 22 residues pruned to eliminate duplicates P: 22 65.805 2.542 0.830 0.934 1.000 0.905 C 2.152 22 residues pruned to eliminate duplicates Q: 21 73.461 2.624 1.038 0.916 1.000 0.900 C 2.169 21 residues pruned to eliminate duplicates R: 13 27.903 2.167 0.809 0.853 1.000 0.750 CB 1.519 S: 31 66.740 2.335 0.875 0.932 1.000 0.800 C 1.943 31 residues pruned to eliminate duplicates T: 7 26.201 2.661 0.469 0.795 1.000 0.667 CA 2.113 U: 21 78.512 2.671 1.089 0.929 1.000 0.800 C 2.202 21 residues pruned to eliminate duplicates V: 16 51.926 2.463 0.874 0.871 1.000 0.667 CB 2.119 17 residues pruned to eliminate duplicates W: 15 33.227 2.367 0.548 0.816 0.929 0.786 C 1.983 X: 8 26.095 2.346 0.617 0.841 1.000 0.714 C 1.938 7 residues pruned to eliminate duplicates Y: 30 76.281 2.417 1.015 0.950 1.000 0.931 C 2.006 31 residues pruned to eliminate duplicates Z: 18 50.501 2.394 0.845 0.890 1.000 0.765 CB 1.996 18 residues pruned to eliminate duplicates Z: 17 52.690 2.441 0.912 0.897 1.000 0.750 CB 2.020 17 residues pruned to eliminate duplicates Z: 30 68.586 2.420 0.804 0.932 1.000 0.931 C 2.038 30 residues pruned to eliminate duplicates Z: 28 68.533 2.397 1.122 0.910 1.000 0.778 CB 1.839 19 residues pruned to eliminate duplicates Z: 18 53.644 2.446 0.883 0.896 1.000 0.706 C 2.024 18 residues pruned to eliminate duplicates Z: 21 78.062 2.642 1.110 0.927 1.000 0.900 CB 2.195 21 residues pruned to eliminate duplicates Z: 13 28.264 2.260 0.386 0.910 1.000 0.917 CB 1.847 13 residues pruned to eliminate duplicates Z: 38 71.497 2.370 0.750 0.898 1.000 0.838 C 2.027 Z: 28 59.270 2.493 0.768 0.913 0.963 0.815 CB 1.902 29 residues pruned to eliminate duplicates Z: 16 42.406 2.514 0.646 0.853 1.000 0.733 CB 1.956 15 residues pruned to eliminate duplicates Z: 16 35.460 2.330 0.555 0.918 1.000 0.800 CB 1.782 15 residues pruned to eliminate duplicates Z: 37 77.228 2.472 0.802 0.901 1.000 0.889 C 2.063 36 residues pruned to eliminate duplicates Z: 10 28.900 2.303 0.675 0.906 1.000 0.889 CB 1.777 10 residues pruned to eliminate duplicates Z: 14 42.768 2.313 0.974 0.905 1.000 0.846 C 1.849 16 residues pruned to eliminate duplicates Z: 22 55.626 2.472 0.847 0.871 0.905 0.857 C 2.143 22 residues pruned to eliminate duplicates Z: 14 40.410 2.310 0.761 0.903 1.000 0.846 CB 1.965 Z: 30 75.747 2.417 1.020 0.935 1.000 0.931 C 2.008 30 residues pruned to eliminate duplicates Z: 35 79.691 2.538 0.859 0.907 0.971 0.912 CB 2.120 38 residues pruned to eliminate duplicates Z: 31 67.237 2.344 0.924 0.917 0.967 0.733 C 1.987 31 residues pruned to eliminate duplicates Z: 29 63.773 2.412 0.974 0.881 0.929 0.679 CB 1.974 29 residues pruned to eliminate duplicates Z: 15 42.175 2.260 0.875 0.917 1.000 0.929 CB 1.877 14 residues pruned to eliminate duplicates Z: 36 69.857 2.428 0.719 0.892 1.000 0.829 C 2.032 36 residues pruned to eliminate duplicates Z: 35 75.349 2.478 0.782 0.929 1.000 0.794 C 2.048 35 residues pruned to eliminate duplicates Z: 9 15.624 2.045 0.216 0.852 1.000 0.750 CA 1.643 Z: 30 70.203 2.410 0.873 0.934 1.000 0.931 C 2.014 30 residues pruned to eliminate duplicates Z: 15 36.369 2.263 0.623 0.909 1.000 0.857 CB 1.878 15 residues pruned to eliminate duplicates Z: 30 70.262 2.386 0.862 0.946 1.000 0.793 CB 2.032 30 residues pruned to eliminate duplicates Z: 19 41.188 2.468 0.571 0.835 1.000 0.611 CB 1.875 19 residues pruned to eliminate duplicates Z: 21 61.257 2.618 0.785 0.939 0.950 0.900 CB 2.144 21 residues pruned to eliminate duplicates Z: 22 64.134 2.521 0.945 0.906 0.952 0.762 C 2.132 22 residues pruned to eliminate duplicates Z: 36 75.144 2.474 0.782 0.906 1.000 0.800 C 2.049 36 residues pruned to eliminate duplicates Z: 29 70.943 2.596 0.795 0.899 1.000 0.750 CB 2.057 29 residues pruned to eliminate duplicates Z: 31 67.264 2.352 0.861 0.939 1.000 0.900 CB 1.950 31 residues pruned to eliminate duplicates Z: 20 92.512 2.750 1.347 0.915 1.000 0.737 C 2.324 20 residues pruned to eliminate duplicates Z: 18 41.614 2.333 0.766 0.849 0.941 0.706 C 1.929 18 residues pruned to eliminate duplicates Z: 12 40.335 2.428 0.808 0.930 1.000 0.909 CB 1.937 12 residues pruned to eliminate duplicates Z: 71 49.186 2.179 0.935 0.516 0.871 0.671 CB 1.575 29 residues pruned to eliminate duplicates Z: 22 75.089 2.558 1.121 0.915 1.000 0.857 C 2.135 22 residues pruned to eliminate duplicates Z: 15 42.550 2.257 0.903 0.911 1.000 0.929 CB 1.877 15 residues pruned to eliminate duplicates Z: 12 38.142 2.386 0.851 0.846 1.000 0.727 C 1.934 12 residues pruned to eliminate duplicates Z: 21 64.997 2.634 0.810 0.922 1.000 0.700 C 2.144 21 residues pruned to eliminate duplicates Z: 18 82.871 2.755 1.203 0.936 1.000 0.824 C 2.306 18 residues pruned to eliminate duplicates Z: 18 33.069 2.100 0.823 0.874 1.000 0.824 CB 1.525 12 residues pruned to eliminate duplicates Z: 38 79.726 2.462 0.887 0.862 1.000 0.838 C 2.071 37 residues pruned to eliminate duplicates Z: 36 74.915 2.384 0.842 0.914 1.000 0.829 C 2.039 36 residues pruned to eliminate duplicates Z: 23 77.903 2.503 1.224 0.922 1.000 0.909 C 2.098 23 residues pruned to eliminate duplicates Z: 31 58.030 2.351 0.667 0.919 0.967 0.933 C 1.970 31 residues pruned to eliminate duplicates Z: 10 34.577 2.301 0.925 0.892 1.000 0.667 CB 1.870 11 residues pruned to eliminate duplicates Z: 18 40.161 2.288 0.596 0.897 1.000 0.765 CB 1.910 18 residues pruned to eliminate duplicates Z: 45 47.067 2.171 1.137 0.537 0.932 0.591 CB 1.582 45 residues pruned to eliminate duplicates Z: 30 59.709 2.453 0.888 0.870 0.931 0.724 CB 1.876 30 residues pruned to eliminate duplicates Z: 20 48.132 2.556 0.732 0.835 0.947 0.579 CB 1.972 20 residues pruned to eliminate duplicates Z: 15 47.380 2.421 1.226 0.857 1.000 0.714 CB 1.732 19 residues pruned to eliminate duplicates Z: 29 57.874 2.417 0.703 0.921 1.000 0.893 CB 1.871 29 residues pruned to eliminate duplicates Z: 17 43.293 2.373 0.821 0.869 0.938 0.750 CA 1.952 17 residues pruned to eliminate duplicates Z: 24 44.029 2.257 1.207 0.698 0.913 0.783 CB 1.685 24 residues pruned to eliminate duplicates Z: 18 43.001 2.297 0.836 0.902 1.000 0.824 CB 1.764 19 residues pruned to eliminate duplicates Z: 37 70.014 2.400 0.793 0.904 0.944 0.806 C 2.046 37 residues pruned to eliminate duplicates Z: 21 72.326 2.663 0.989 0.934 1.000 0.950 CB 2.129 21 residues pruned to eliminate duplicates Z: 30 65.949 2.419 0.745 0.934 1.000 1.000 C 2.023 30 residues pruned to eliminate duplicates Z: 19 37.725 2.243 0.746 0.919 1.000 0.778 CB 1.599 14 residues pruned to eliminate duplicates Z: 10 20.838 2.267 0.331 0.866 1.000 0.889 CB 1.686 10 residues pruned to eliminate duplicates Z: 16 35.299 2.338 0.692 0.877 0.933 0.667 CB 1.793 16 residues pruned to eliminate duplicates Z: 19 49.381 2.505 0.853 0.851 1.000 0.778 CB 1.856 19 residues pruned to eliminate duplicates Z: 37 69.922 2.407 0.813 0.892 0.972 0.694 C 1.974 37 residues pruned to eliminate duplicates Z: 17 39.283 2.422 0.489 0.891 1.000 0.750 CB 1.958 18 residues pruned to eliminate duplicates Z: 35 69.390 2.432 0.687 0.912 1.000 0.882 C 2.054 35 residues pruned to eliminate duplicates Z: 14 42.880 2.404 1.125 0.894 1.000 0.692 CB 1.671 14 residues pruned to eliminate duplicates Z: 19 47.966 2.536 0.690 0.865 1.000 0.722 CB 1.933 19 residues pruned to eliminate duplicates Z: 30 79.206 2.396 1.158 0.942 1.000 0.793 C 1.972 30 residues pruned to eliminate duplicates Z: 19 75.227 2.760 1.080 0.927 0.944 0.778 C 2.292 19 residues pruned to eliminate duplicates Z: 20 73.997 2.697 0.966 0.898 1.000 0.684 C 2.291 20 residues pruned to eliminate duplicates Z: 31 63.311 2.362 0.787 0.915 0.967 0.933 C 2.001 31 residues pruned to eliminate duplicates Z: 13 41.101 2.208 1.243 0.900 1.000 0.833 C 1.712 14 residues pruned to eliminate duplicates Z: 37 75.035 2.486 0.755 0.887 1.000 0.806 C 2.067 38 residues pruned to eliminate duplicates Z: 34 84.243 2.532 0.946 0.916 1.000 0.788 C 2.102 34 residues pruned to eliminate duplicates Z: 35 67.902 2.440 0.675 0.917 0.971 0.676 C 2.073 35 residues pruned to eliminate duplicates Z: 18 34.911 2.227 0.666 0.919 1.000 0.706 CB 1.608 18 residues pruned to eliminate duplicates Z: 29 60.778 2.410 0.842 0.901 0.964 0.679 CB 1.915 29 residues pruned to eliminate duplicates Z: 38 75.979 2.498 0.751 0.859 1.000 0.757 C 2.100 38 residues pruned to eliminate duplicates Z: 18 42.946 2.317 0.747 0.867 0.941 0.706 CB 2.000 18 residues pruned to eliminate duplicates Z: 21 85.458 2.667 1.211 0.923 1.000 0.900 C 2.277 21 residues pruned to eliminate duplicates Z: 18 36.951 2.281 0.674 0.910 1.000 0.824 CB 1.665 18 residues pruned to eliminate duplicates Z: 31 62.031 2.340 0.786 0.926 0.967 0.967 C 1.965 31 residues pruned to eliminate duplicates Z: 34 71.532 2.490 0.733 0.923 1.000 0.879 C 2.027 34 residues pruned to eliminate duplicates Z: 12 14.205 2.041 0.791 0.388 0.818 0.364 CB 1.613 12 residues pruned to eliminate duplicates Z: 14 42.188 2.309 0.847 0.905 1.000 1.000 CB 1.953 14 residues pruned to eliminate duplicates Z: 30 57.325 2.461 0.777 0.870 0.931 0.655 CB 1.908 30 residues pruned to eliminate duplicates Z: 35 82.442 2.526 0.936 0.914 0.971 0.794 C 2.107 35 residues pruned to eliminate duplicates Z: 13 35.794 2.392 0.513 0.838 1.000 0.833 CA 2.134 13 residues pruned to eliminate duplicates Z: 22 76.903 2.500 1.215 0.930 1.000 0.667 C 2.119 22 residues pruned to eliminate duplicates Z: 31 51.329 2.357 0.954 0.638 0.933 0.700 CB 1.917 19 residues pruned to eliminate duplicates Z: 9 13.225 2.034 0.220 0.846 1.000 0.750 CA 1.400 9 residues pruned to eliminate duplicates Z: 29 65.574 2.417 0.907 0.910 1.000 0.821 CB 1.907 29 residues pruned to eliminate duplicates Z: 31 60.758 2.363 0.677 0.931 1.000 0.933 C 1.957 31 residues pruned to eliminate duplicates Z: 29 56.242 2.404 0.842 0.894 0.929 0.714 CB 1.855 29 residues pruned to eliminate duplicates Z: 36 73.987 2.443 0.893 0.868 0.971 0.743 C 2.035 36 residues pruned to eliminate duplicates Z: 14 35.913 2.282 0.622 0.925 1.000 0.846 CB 1.888 14 residues pruned to eliminate duplicates Z: 17 56.371 2.483 1.029 0.893 0.938 0.688 C 2.142 17 residues pruned to eliminate duplicates Z: 20 84.875 2.770 1.194 0.945 0.947 0.895 C 2.341 20 residues pruned to eliminate duplicates Z: 15 25.777 2.190 0.383 0.929 0.929 0.929 CB 1.715 15 residues pruned to eliminate duplicates Z: 35 75.442 2.460 0.898 0.919 0.941 0.853 CB 2.074 35 residues pruned to eliminate duplicates Z: 37 66.119 2.462 0.607 0.874 0.972 0.861 C 2.086 37 residues pruned to eliminate duplicates Z: 9 12.513 1.970 0.037 0.865 1.000 0.500 CA 1.587 9 residues pruned to eliminate duplicates Z: 16 49.619 2.364 1.164 0.862 0.933 0.600 C 1.970 16 residues pruned to eliminate duplicates Z: 14 40.448 2.243 1.224 0.811 0.923 0.769 CB 1.859 14 residues pruned to eliminate duplicates Z: 34 74.872 2.486 0.760 0.928 1.000 0.879 C 2.086 34 residues pruned to eliminate duplicates Z: 13 23.954 2.159 0.502 0.909 1.000 0.917 CB 1.514 12 residues pruned to eliminate duplicates Z: 8 17.958 2.166 0.456 0.845 1.000 0.857 CB 1.601 8 residues pruned to eliminate duplicates Z: 17 25.072 2.157 0.869 0.556 1.000 0.625 CB 1.472 7 residues pruned to eliminate duplicates Z: 19 52.926 2.517 0.871 0.858 1.000 0.722 CB 1.952 19 residues pruned to eliminate duplicates Z: 31 65.907 2.347 0.796 0.933 1.000 0.867 CB 1.993 31 residues pruned to eliminate duplicates Z: 36 78.651 2.452 0.898 0.896 1.000 0.743 C 2.046 36 residues pruned to eliminate duplicates Z: 56 38.956 2.139 0.811 0.480 0.909 0.564 CB 1.522 56 residues pruned to eliminate duplicates Z: 37 76.282 2.521 0.734 0.884 1.000 0.833 C 2.101 37 residues pruned to eliminate duplicates Z: 19 45.493 2.320 0.880 0.883 0.944 0.722 C 1.883 18 residues pruned to eliminate duplicates Z: 17 52.120 2.449 0.852 0.905 1.000 0.812 C 2.044 17 residues pruned to eliminate duplicates Z: 36 73.316 2.392 0.906 0.923 0.971 0.800 C 1.966 36 residues pruned to eliminate duplicates Z: 35 61.071 2.408 0.669 0.905 0.941 0.824 C 1.971 35 residues pruned to eliminate duplicates Z: 24 55.137 2.340 0.804 0.923 0.957 0.913 CB 2.001 24 residues pruned to eliminate duplicates Z: 30 64.549 2.423 0.679 0.933 1.000 0.931 CB 2.056 30 residues pruned to eliminate duplicates Z: 30 76.774 2.428 1.004 0.940 1.000 0.897 C 2.035 30 residues pruned to eliminate duplicates Z: 13 38.410 2.337 0.811 0.912 1.000 0.750 CB 1.856 13 residues pruned to eliminate duplicates Z: 29 58.702 2.411 0.889 0.886 0.929 0.643 CB 1.891 29 residues pruned to eliminate duplicates Z: 38 80.441 2.472 0.940 0.881 0.973 0.865 C 2.052 38 residues pruned to eliminate duplicates Z: 17 25.051 1.995 1.116 0.528 0.875 0.688 CB 1.650 17 residues pruned to eliminate duplicates Z: 40 66.486 2.373 0.779 0.890 0.923 0.795 CB 1.965 40 residues pruned to eliminate duplicates Z: 51 51.357 2.308 0.905 0.578 0.900 0.720 CB 1.704 51 residues pruned to eliminate duplicates Z: 14 42.172 2.439 0.787 0.900 1.000 0.846 CB 1.917 14 residues pruned to eliminate duplicates Z: 36 71.821 2.435 0.764 0.893 0.971 0.857 C 2.088 36 residues pruned to eliminate duplicates Z: 15 36.162 2.180 0.782 0.868 1.000 0.929 CB 1.819 15 residues pruned to eliminate duplicates Z: 14 32.667 2.276 0.644 0.923 1.000 1.000 CB 1.701 14 residues pruned to eliminate duplicates Z: 31 64.061 2.338 0.796 0.932 1.000 0.900 C 1.945 31 residues pruned to eliminate duplicates Z: 36 72.519 2.539 0.717 0.878 0.971 0.857 C 2.100 36 residues pruned to eliminate duplicates Z: 18 36.696 2.273 0.714 0.888 0.882 0.824 C 1.867 18 residues pruned to eliminate duplicates Z: 38 63.917 2.385 0.595 0.903 1.000 0.811 CB 1.968 38 residues pruned to eliminate duplicates Z: 34 45.834 2.231 1.013 0.556 0.970 0.606 CB 1.735 34 residues pruned to eliminate duplicates Z: 23 58.558 2.521 0.643 0.922 1.000 0.909 C 2.120 23 residues pruned to eliminate duplicates Z: 7 22.830 2.358 0.585 0.786 1.000 0.833 C 1.939 6 residues pruned to eliminate duplicates Z: 17 44.195 2.165 1.610 0.884 0.875 0.562 CB 1.614 17 residues pruned to eliminate duplicates Z: 30 64.965 2.349 1.041 0.914 0.966 0.724 CB 1.843 30 residues pruned to eliminate duplicates Z: 30 63.099 2.415 0.666 0.925 1.000 0.931 C 2.043 30 residues pruned to eliminate duplicates Z: 13 50.288 2.471 1.184 0.885 1.000 0.833 C 1.942 13 residues pruned to eliminate duplicates Z: 7 12.774 1.968 0.307 0.824 1.000 0.833 CA 1.532 Z: 31 60.387 2.369 0.687 0.926 0.967 0.867 CB 2.002 31 residues pruned to eliminate duplicates Z: 38 70.752 2.419 0.697 0.877 1.000 0.784 C 2.058 38 residues pruned to eliminate duplicates Z: 36 76.045 2.542 0.780 0.898 0.971 0.886 C 2.091 36 residues pruned to eliminate duplicates Z: 38 67.176 2.465 0.614 0.865 1.000 0.865 CB 2.033 38 residues pruned to eliminate duplicates Z: 6 11.212 1.837 0.941 0.754 0.800 0.800 C 1.402 Z: 35 72.531 2.484 0.764 0.911 0.971 0.882 C 2.073 35 residues pruned to eliminate duplicates Z: 27 36.538 2.243 1.067 0.621 0.846 0.615 CB 1.630 27 residues pruned to eliminate duplicates Z: 17 44.095 2.370 0.797 0.904 1.000 0.750 CB 1.843 17 residues pruned to eliminate duplicates Z: 37 71.809 2.459 0.717 0.888 1.000 0.778 C 2.042 37 residues pruned to eliminate duplicates Z: 42 49.010 2.263 1.053 0.534 0.976 0.585 CB 1.634 40 residues pruned to eliminate duplicates Z: 14 41.932 2.322 0.942 0.929 1.000 1.000 CB 1.804 14 residues pruned to eliminate duplicates Z: 10 26.583 2.146 0.722 0.894 1.000 0.667 CB 1.721 10 residues pruned to eliminate duplicates Z: 7 20.605 2.198 0.570 0.859 1.000 0.833 CB 1.793 7 residues pruned to eliminate duplicates Z: 16 54.631 2.559 0.896 0.922 0.933 0.800 C 2.191 16 residues pruned to eliminate duplicates Z: 33 48.965 2.460 0.939 0.645 0.812 0.625 CB 1.950 29 residues pruned to eliminate duplicates Z: 14 23.518 2.141 1.125 0.363 1.000 0.538 CB 1.662 14 residues pruned to eliminate duplicates Z: 15 43.404 2.266 0.952 0.918 1.000 0.929 CB 1.850 15 residues pruned to eliminate duplicates Z: 43 42.699 2.204 0.947 0.518 0.929 0.619 CB 1.623 43 residues pruned to eliminate duplicates Z: 18 38.614 2.297 0.702 0.872 0.941 0.765 CB 1.855 18 residues pruned to eliminate duplicates Z: 72 78.519 2.404 0.989 0.615 0.930 0.634 CB 1.881 63 residues pruned to eliminate duplicates Z: 11 25.495 2.327 1.024 0.762 0.800 0.600 CB 1.695 11 residues pruned to eliminate duplicates Z: 17 48.551 2.412 0.914 0.869 0.938 0.625 C 2.048 17 residues pruned to eliminate duplicates Z: 14 26.249 2.220 0.404 0.910 0.923 0.846 CB 1.795 14 residues pruned to eliminate duplicates Z: 7 20.370 2.098 0.607 0.894 1.000 0.833 CA 1.770 7 residues pruned to eliminate duplicates Z: 86 109.419 2.535 0.962 0.779 0.929 0.635 CB 2.007 84 residues pruned to eliminate duplicates Z: 37 76.458 2.449 0.827 0.890 1.000 0.889 CB 2.049 37 residues pruned to eliminate duplicates Z: 17 40.809 2.190 1.256 0.904 0.875 0.250 CB 1.680 17 residues pruned to eliminate duplicates Z: 17 44.367 2.380 1.039 0.845 0.875 0.562 CB 1.942 17 residues pruned to eliminate duplicates Z: 11 19.531 2.096 1.083 0.489 0.900 0.800 CB 1.589 11 residues pruned to eliminate duplicates Z: 30 70.039 2.409 0.882 0.951 0.966 0.931 C 2.049 30 residues pruned to eliminate duplicates Z: 33 41.879 2.343 0.738 0.596 0.938 0.625 CB 1.769 33 residues pruned to eliminate duplicates Z: 82 82.519 2.342 1.050 0.640 0.914 0.580 CB 1.833 71 residues pruned to eliminate duplicates Z: 17 31.663 2.173 0.592 0.923 1.000 0.750 CB 1.609 16 residues pruned to eliminate duplicates Z: 31 53.832 2.294 0.583 0.933 1.000 0.900 CB 1.889 30 residues pruned to eliminate duplicates Z: 17 33.650 2.334 0.394 0.903 1.000 0.812 CB 1.844 17 residues pruned to eliminate duplicates Z: 62 53.664 2.185 1.042 0.491 0.967 0.639 CB 1.606 62 residues pruned to eliminate duplicates Z: 8 14.771 2.052 0.362 0.857 1.000 0.714 CB 1.472 8 residues pruned to eliminate duplicates Z: 6 14.235 2.490 0.015 0.822 1.000 0.800 CA 1.905 6 residues pruned to eliminate duplicates Z: 28 27.915 2.191 0.844 0.377 1.000 0.593 CB 1.517 28 residues pruned to eliminate duplicates Z: 21 82.463 2.623 1.180 0.936 1.000 0.850 CB 2.246 21 residues pruned to eliminate duplicates Z: 7 10.760 1.939 0.208 0.842 1.000 0.833 CA 1.398 7 residues pruned to eliminate duplicates Z: 39 61.177 2.366 0.708 0.857 0.921 0.737 CB 1.965 39 residues pruned to eliminate duplicates Z: 28 54.512 2.304 0.802 0.876 0.963 0.630 C 1.908 28 residues pruned to eliminate duplicates Z: 8 18.128 2.172 0.330 0.902 1.000 0.714 CA 1.692 8 residues pruned to eliminate duplicates Z: 20 67.195 2.697 0.856 0.934 0.947 0.895 CB 2.267 20 residues pruned to eliminate duplicates Z: 8 13.124 2.185 0.318 0.810 0.857 0.571 CB 1.535 8 residues pruned to eliminate duplicates Z: 14 45.395 2.256 1.150 0.874 1.000 0.692 CB 1.888 14 residues pruned to eliminate duplicates Z: 8 10.610 1.813 0.380 0.592 1.000 0.714 C 1.467 8 residues pruned to eliminate duplicates Z: 105 110.095 2.495 0.935 0.674 0.942 0.644 CB 2.021 105 residues pruned to eliminate duplicates Z: 18 36.276 2.281 0.701 0.882 1.000 0.706 CB 1.641 18 residues pruned to eliminate duplicates Z: 14 12.181 2.029 0.722 0.408 0.692 0.385 CB 1.539 Z: 44 40.933 2.203 0.999 0.549 0.837 0.651 CB 1.615 44 residues pruned to eliminate duplicates Z: 82 66.209 2.251 0.997 0.571 0.938 0.617 CB 1.628 78 residues pruned to eliminate duplicates Z: 7 12.815 1.943 0.533 0.800 1.000 0.833 CA 1.351 7 residues pruned to eliminate duplicates Z: 39 45.566 2.238 1.079 0.578 0.895 0.658 CB 1.648 38 residues pruned to eliminate duplicates Z: 21 29.229 2.303 0.564 0.557 0.900 0.550 CB 1.907 21 residues pruned to eliminate duplicates Z: 7 11.302 1.762 1.148 0.632 0.833 0.667 C 1.292 7 residues pruned to eliminate duplicates Z: 30 56.802 2.350 0.581 0.916 1.000 0.931 CB 2.005 30 residues pruned to eliminate duplicates Z: 32 34.872 2.127 1.006 0.615 0.903 0.613 CB 1.458 32 residues pruned to eliminate duplicates Z: 30 63.006 2.433 0.638 0.938 1.000 0.931 C 2.042 30 residues pruned to eliminate duplicates Z: 44 57.899 2.359 0.927 0.607 0.953 0.651 CB 1.840 44 residues pruned to eliminate duplicates Z: 148 121.543 2.422 1.013 0.657 0.939 0.673 CB 1.893 162 residues pruned to eliminate duplicates Z: 10 31.126 2.244 0.993 0.900 0.889 0.778 CB 1.864 10 residues pruned to eliminate duplicates Z: 22 52.576 2.513 0.659 0.890 0.905 0.810 C 2.188 22 residues pruned to eliminate duplicates Z: 8 37.791 2.590 0.799 0.910 1.000 1.000 CA 2.175 8 residues pruned to eliminate duplicates Z: 8 16.057 1.938 0.823 0.579 1.000 0.429 CA 1.592 8 residues pruned to eliminate duplicates Z: 15 38.871 2.231 0.809 0.894 1.000 0.786 CB 1.847 15 residues pruned to eliminate duplicates Z: 12 36.917 2.330 0.890 0.915 1.000 0.727 CB 1.787 12 residues pruned to eliminate duplicates Z: 17 41.825 2.251 1.000 0.881 0.938 0.688 CB 1.795 17 residues pruned to eliminate duplicates Z: 18 33.214 2.181 0.443 0.898 1.000 0.941 CB 1.831 18 residues pruned to eliminate duplicates Z: 31 57.550 2.324 0.640 0.920 1.000 0.933 CB 1.942 31 residues pruned to eliminate duplicates Z: 31 60.735 2.330 0.742 0.919 0.967 0.833 CB 1.991 31 residues pruned to eliminate duplicates Z: 17 41.728 2.335 1.042 0.888 0.875 0.688 CB 1.802 17 residues pruned to eliminate duplicates Z: 10 7.964 1.728 0.225 0.408 0.889 0.667 C 1.554 10 residues pruned to eliminate duplicates Z: 13 14.713 1.968 0.685 0.399 0.917 0.417 CB 1.554 14 residues pruned to eliminate duplicates Z: 10 9.048 1.873 0.887 0.260 0.778 0.556 C 1.443 10 residues pruned to eliminate duplicates Z: 23 34.486 2.241 1.239 0.604 0.864 0.591 CB 1.537 23 residues pruned to eliminate duplicates Z: 82 71.675 2.333 0.894 0.620 0.926 0.679 CB 1.737 82 residues pruned to eliminate duplicates Z: 17 30.584 2.263 1.260 0.479 0.875 0.562 C 1.745 17 residues pruned to eliminate duplicates Z: 6 13.365 2.163 0.340 0.877 1.000 1.000 CA 1.498 6 residues pruned to eliminate duplicates Z: 30 83.919 2.371 1.261 0.955 1.000 0.931 C 1.997 31 residues pruned to eliminate duplicates Z: 19 39.519 2.312 1.165 0.570 1.000 0.722 CB 1.739 19 residues pruned to eliminate duplicates Z: 21 72.209 2.523 1.166 0.909 1.000 0.800 C 2.098 21 residues pruned to eliminate duplicates Z: 18 40.296 2.275 0.899 0.894 0.941 0.647 CB 1.724 18 residues pruned to eliminate duplicates Z: 12 17.028 2.178 0.493 0.498 0.909 0.636 C 1.739 12 residues pruned to eliminate duplicates Z: 31 59.871 2.324 0.711 0.946 1.000 0.967 CB 1.901 31 residues pruned to eliminate duplicates Z: 8 15.564 2.262 0.283 0.838 0.857 0.714 CB 1.768 8 residues pruned to eliminate duplicates Z: 14 48.831 2.522 0.852 0.922 1.000 0.923 CB 2.040 14 residues pruned to eliminate duplicates Z: 46 46.327 2.279 0.732 0.625 0.911 0.600 CB 1.708 46 residues pruned to eliminate duplicates Z: 28 65.227 2.469 0.905 0.892 0.926 0.667 CB 2.071 28 residues pruned to eliminate duplicates Z: 17 30.103 2.282 0.492 0.871 0.938 0.688 CB 1.719 17 residues pruned to eliminate duplicates Z: 18 31.360 2.162 0.551 0.892 0.941 0.882 CB 1.732 18 residues pruned to eliminate duplicates Z: 14 41.176 2.210 0.915 0.911 1.000 1.000 CB 1.913 14 residues pruned to eliminate duplicates Z: 14 44.646 2.241 1.072 0.919 1.000 0.846 C 1.880 14 residues pruned to eliminate duplicates Z: 29 57.650 2.426 0.789 0.887 0.964 0.821 CB 1.877 29 residues pruned to eliminate duplicates Z: 6 9.664 1.932 0.106 0.846 1.000 0.800 CA 1.502 6 residues pruned to eliminate duplicates Z: 29 58.175 2.282 0.860 0.883 0.964 0.857 CB 1.943 29 residues pruned to eliminate duplicates Z: 27 73.273 2.537 0.944 0.913 1.000 0.769 CB 2.062 38 residues pruned to eliminate duplicates Z: 63 74.486 2.341 1.041 0.637 0.919 0.645 CB 1.894 63 residues pruned to eliminate duplicates Z: 81 72.352 2.320 0.930 0.583 0.938 0.713 CB 1.779 81 residues pruned to eliminate duplicates Z: 35 75.352 2.463 0.895 0.908 0.971 0.794 C 2.026 35 residues pruned to eliminate duplicates Z: 7 19.977 2.596 0.729 0.393 1.000 1.000 CA 2.034 7 residues pruned to eliminate duplicates Z: 8 15.059 2.040 1.030 0.644 1.000 0.714 CB 1.202 8 residues pruned to eliminate duplicates Z: 32 62.885 2.444 0.705 0.887 0.968 0.839 CB 2.020 32 residues pruned to eliminate duplicates Z: 38 67.928 2.354 0.804 0.895 0.946 0.865 CB 1.994 38 residues pruned to eliminate duplicates Z: 10 19.210 2.153 0.898 0.497 1.000 0.556 CB 1.572 10 residues pruned to eliminate duplicates Z: 15 50.938 2.248 1.241 0.924 1.000 0.857 CB 1.898 15 residues pruned to eliminate duplicates Z: 63 105.348 2.556 0.919 0.803 0.984 0.758 C 2.126 63 residues pruned to eliminate duplicates Z: 7 21.493 2.127 0.602 0.884 1.000 1.000 CA 1.860 7 residues pruned to eliminate duplicates Z: 16 22.198 1.986 0.598 0.901 0.867 0.600 CB 1.488 16 residues pruned to eliminate duplicates Z: 48 64.969 2.442 0.765 0.696 0.957 0.681 CB 1.919 44 residues pruned to eliminate duplicates Z: 11 25.961 2.064 0.699 0.860 1.000 0.700 CB 1.720 11 residues pruned to eliminate duplicates Z: 31 55.429 2.268 0.609 0.944 1.000 0.933 CB 1.919 31 residues pruned to eliminate duplicates Z: 7 10.038 1.693 1.199 0.622 0.833 0.500 O 1.178 7 residues pruned to eliminate duplicates Z: 12 41.771 2.366 1.066 0.890 1.000 0.818 CB 1.854 12 residues pruned to eliminate duplicates Z: 30 56.257 2.379 0.652 0.926 0.966 0.897 CB 1.930 30 residues pruned to eliminate duplicates Z: 30 51.641 2.360 0.414 0.933 1.000 0.931 CB 2.005 30 residues pruned to eliminate duplicates Z: 14 35.693 2.483 0.735 0.867 0.923 0.769 CB 1.820 14 residues pruned to eliminate duplicates Z: 35 76.246 2.455 0.907 0.904 0.971 0.765 C 2.051 35 residues pruned to eliminate duplicates Z: 27 47.623 2.401 0.962 0.571 0.962 0.769 CB 1.925 28 residues pruned to eliminate duplicates Z: 30 54.933 2.378 0.535 0.935 0.966 0.897 C 2.016 30 residues pruned to eliminate duplicates Z: 11 28.274 1.994 1.037 0.874 1.000 0.800 C 1.602 11 residues pruned to eliminate duplicates Z: 12 17.616 1.763 0.950 0.613 1.000 0.727 CB 1.388 8 residues pruned to eliminate duplicates Z: 17 38.348 2.364 0.521 0.932 1.000 0.812 CB 1.863 17 residues pruned to eliminate duplicates Z: 16 52.116 2.531 0.665 0.946 1.000 1.000 C 2.208 16 residues pruned to eliminate duplicates Z: 24 32.677 2.318 0.613 0.709 0.826 0.565 CB 1.824 24 residues pruned to eliminate duplicates Z: 17 35.395 2.325 0.423 0.915 0.938 0.938 C 2.017 17 residues pruned to eliminate duplicates Z: 23 51.167 2.356 1.175 0.708 0.955 0.636 CB 1.846 23 residues pruned to eliminate duplicates Z: 30 59.476 2.403 0.610 0.929 1.000 0.897 C 1.997 30 residues pruned to eliminate duplicates Z: 26 43.891 2.340 0.982 0.707 0.960 0.720 CB 1.633 26 residues pruned to eliminate duplicates Z: 8 15.466 2.055 0.346 0.885 1.000 0.714 CB 1.526 Z: 31 53.454 2.340 0.546 0.928 0.967 0.933 CB 1.955 31 residues pruned to eliminate duplicates Z: 9 25.334 2.297 0.528 0.877 1.000 0.500 CA 1.853 9 residues pruned to eliminate duplicates Z: 38 48.899 2.339 0.771 0.651 0.946 0.595 CB 1.782 38 residues pruned to eliminate duplicates Z: 22 27.865 2.232 0.693 0.516 0.952 0.714 CB 1.663 22 residues pruned to eliminate duplicates Z: 6 7.226 1.875 0.277 0.838 0.800 0.600 CA 1.261 6 residues pruned to eliminate duplicates Z: 17 36.265 2.360 0.533 0.910 1.000 0.812 CB 1.777 17 residues pruned to eliminate duplicates Z: 15 43.840 2.402 1.261 0.846 0.929 0.714 CB 1.727 15 residues pruned to eliminate duplicates Z: 27 35.238 2.277 0.611 0.733 0.846 0.769 CB 1.806 27 residues pruned to eliminate duplicates Z: 8 26.789 2.460 0.643 0.817 1.000 0.571 CA 1.902 8 residues pruned to eliminate duplicates Z: 15 31.551 2.165 0.575 0.906 1.000 0.929 CB 1.760 15 residues pruned to eliminate duplicates Z: 33 55.059 2.428 0.564 0.856 1.000 0.938 CB 1.891 33 residues pruned to eliminate duplicates 7 1.888 1.474 0.052 0.350 0.833 0.500 CA 0.702 ? Z: 14 34.919 2.318 0.877 0.852 1.000 0.769 CB 1.647 14 residues pruned to eliminate duplicates Z: 17 20.794 2.123 0.545 0.497 1.000 0.750 C 1.589 17 residues pruned to eliminate duplicates Z: 14 34.194 2.615 0.644 0.515 1.000 0.615 C 2.173 14 residues pruned to eliminate duplicates Z: 29 43.898 2.438 1.106 0.607 0.821 0.643 CB 1.778 29 residues pruned to eliminate duplicates Z: 34 54.882 2.310 1.165 0.675 0.939 0.818 CB 1.731 34 residues pruned to eliminate duplicates Z: 11 6.210 1.485 0.539 0.274 0.900 0.500 CA 1.233 11 residues pruned to eliminate duplicates Z: 17 37.179 2.242 0.723 0.929 1.000 0.812 CB 1.683 17 residues pruned to eliminate duplicates Z: 23 52.010 2.371 1.285 0.679 0.955 0.636 CB 1.818 23 residues pruned to eliminate duplicates Z: 28 64.328 2.363 0.918 0.885 1.000 0.741 CB 1.972 28 residues pruned to eliminate duplicates Z: 25 73.456 2.371 1.257 0.931 1.000 0.792 C 1.958 25 residues pruned to eliminate duplicates Z: 6 3.497 1.633 -0.206 0.864 1.000 0.600 CB 0.884 Z: 12 18.333 2.368 0.295 0.582 0.909 0.818 CB 1.832 12 residues pruned to eliminate duplicates Z: 35 55.564 2.371 0.683 0.828 0.971 0.853 CB 1.853 35 residues pruned to eliminate duplicates Z: 12 22.635 2.337 1.363 0.360 0.818 0.455 CB 1.756 12 residues pruned to eliminate duplicates Z: 32 64.462 2.422 0.952 0.821 0.968 0.871 CB 1.915 32 residues pruned to eliminate duplicates Z: 14 15.661 2.084 0.349 0.489 0.923 0.538 C 1.692 14 residues pruned to eliminate duplicates Z: 31 56.990 2.341 0.565 0.945 1.000 0.967 CB 1.966 31 residues pruned to eliminate duplicates Z: 18 14.693 2.057 0.554 0.342 0.824 0.412 CB 1.607 18 residues pruned to eliminate duplicates Z: 10 21.515 2.323 0.734 0.533 1.000 0.778 CB 1.724 10 residues pruned to eliminate duplicates Z: 21 31.389 2.225 0.758 0.558 0.950 0.650 CA 1.784 21 residues pruned to eliminate duplicates Z: 24 40.442 2.224 0.796 0.756 1.000 0.957 CB 1.680 21 residues pruned to eliminate duplicates Z: 15 24.121 2.129 0.829 0.568 0.929 0.500 CB 1.670 15 residues pruned to eliminate duplicates Z: 18 46.846 2.459 1.283 0.779 0.824 0.588 CB 1.922 18 residues pruned to eliminate duplicates Z: 17 24.205 2.163 0.737 0.474 1.000 0.750 CB 1.653 25 residues pruned to eliminate duplicates Z: 38 44.864 2.235 0.967 0.567 0.919 0.757 CB 1.711 38 residues pruned to eliminate duplicates Z: 14 18.535 1.955 0.912 0.506 0.846 0.692 C 1.616 14 residues pruned to eliminate duplicates Z: 15 17.638 2.148 0.479 0.496 0.929 0.786 CB 1.604 15 residues pruned to eliminate duplicates Z: 9 11.574 1.757 0.737 0.657 0.875 0.750 CA 1.325 9 residues pruned to eliminate duplicates Z: 47 32.162 2.026 0.842 0.478 0.870 0.630 CB 1.494 47 residues pruned to eliminate duplicates Z: 32 81.400 2.601 1.022 0.751 1.000 0.806 CB 2.221 32 residues pruned to eliminate duplicates Z: 9 22.641 2.020 0.901 0.787 1.000 0.500 CA 1.620 9 residues pruned to eliminate duplicates Z: 29 64.215 2.442 0.942 0.898 0.964 0.857 CB 1.897 29 residues pruned to eliminate duplicates Z: 9 35.970 2.260 1.385 0.843 1.000 1.000 CA 1.757 9 residues pruned to eliminate duplicates Z: 24 14.206 1.970 0.792 0.329 0.739 0.565 CB 1.370 19 residues pruned to eliminate duplicates Z: 55 109.887 2.561 1.044 0.839 1.000 0.778 C 2.133 55 residues pruned to eliminate duplicates Z: 64 74.512 2.360 0.900 0.646 0.968 0.714 CB 1.886 64 residues pruned to eliminate duplicates Z: 8 17.469 2.142 0.434 0.860 1.000 0.857 CA 1.581 Z: 27 37.834 2.353 0.713 0.637 0.846 0.577 CB 1.914 27 residues pruned to eliminate duplicates Z: 22 81.467 2.463 1.482 0.930 1.000 0.762 C 2.033 22 residues pruned to eliminate duplicates Z: 15 71.182 2.732 1.125 0.869 1.000 0.857 CA 2.393 15 residues pruned to eliminate duplicates Z: 10 27.815 2.268 0.704 0.875 1.000 0.889 CB 1.745 10 residues pruned to eliminate duplicates Z: 37 80.100 2.529 1.156 0.728 0.944 0.611 CB 2.111 37 residues pruned to eliminate duplicates Z: 26 39.644 2.293 1.038 0.623 0.880 0.680 CB 1.717 26 residues pruned to eliminate duplicates Z: 17 18.888 2.196 0.549 0.586 0.875 0.688 CB 1.461 17 residues pruned to eliminate duplicates Z: 28 65.149 2.371 1.027 0.915 1.000 0.741 CB 1.843 28 residues pruned to eliminate duplicates Z: 16 34.845 2.354 0.470 0.924 1.000 0.800 CB 1.826 16 residues pruned to eliminate duplicates Z: 15 30.448 2.467 0.732 0.476 1.000 0.786 CB 1.951 15 residues pruned to eliminate duplicates Z: 49 55.355 2.308 0.937 0.599 0.875 0.604 CB 1.858 49 residues pruned to eliminate duplicates Z: 45 60.171 2.304 1.004 0.647 0.909 0.545 C 1.884 45 residues pruned to eliminate duplicates Z: 26 36.384 2.406 0.820 0.644 0.880 0.600 CB 1.650 32 residues pruned to eliminate duplicates Z: 35 45.709 2.288 0.992 0.593 0.912 0.618 CB 1.725 43 residues pruned to eliminate duplicates Z: 7 7.541 1.667 0.452 0.832 0.667 0.667 N 1.433 Z: 29 37.679 2.181 1.037 0.529 0.964 0.714 CB 1.615 29 residues pruned to eliminate duplicates Z: 20 28.356 2.287 0.775 0.569 0.947 0.579 CB 1.582 21 residues pruned to eliminate duplicates Z: 19 45.964 2.346 0.896 0.856 1.000 0.556 CB 1.796 19 residues pruned to eliminate duplicates Z: 16 24.465 2.275 0.738 0.529 1.000 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 39 54.705 2.313 0.834 0.726 0.921 0.684 CB 1.853 39 residues pruned to eliminate duplicates Z: 17 38.069 2.045 0.887 0.929 1.000 0.938 CA 1.725 17 residues pruned to eliminate duplicates Z: 20 83.555 2.682 1.424 0.843 1.000 0.895 C 2.196 20 residues pruned to eliminate duplicates Z: 26 55.139 2.353 0.894 0.814 0.960 0.800 C 1.961 26 residues pruned to eliminate duplicates Z: 6 13.796 1.880 0.730 0.850 1.000 1.000 CA 1.405 6 residues pruned to eliminate duplicates Z: 32 60.829 2.338 0.961 0.817 1.000 0.871 CB 1.809 32 residues pruned to eliminate duplicates Z: 10 15.526 2.441 0.808 0.524 0.778 0.444 CB 1.473 10 residues pruned to eliminate duplicates Z: 21 21.307 2.162 0.490 0.495 0.900 0.800 CB 1.652 21 residues pruned to eliminate duplicates Z: 73 75.942 2.333 1.007 0.643 0.917 0.639 CB 1.824 73 residues pruned to eliminate duplicates 311 residues left after pruning, divided into chains as follows: A: 30 B: 89 C: 192 CC for partial structure against native data = 35.92 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.420, Connect. = 0.770 for dens.mod. cycle 1 = 0.300, Contrast = 0.489, Connect. = 0.798 for dens.mod. cycle 2 = 0.300, Contrast = 0.582, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 0.599, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.614, Connect. = 0.835 for dens.mod. cycle 5 = 0.300, Contrast = 0.625, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.635, Connect. = 0.840 for dens.mod. cycle 7 = 0.300, Contrast = 0.643, Connect. = 0.841 for dens.mod. cycle 8 = 0.300, Contrast = 0.649, Connect. = 0.841 for dens.mod. cycle 9 = 0.300, Contrast = 0.654, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2383 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 446 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 49.900 2.595 0.788 0.861 0.938 0.750 CB 2.107 B: 20 86.493 2.891 0.975 0.934 1.000 0.789 C 2.423 C: 31 80.311 2.462 1.007 0.934 1.000 0.900 C 2.069 D: 30 79.405 2.541 0.867 0.936 1.000 0.931 C 2.164 30 residues pruned to eliminate duplicates E: 21 53.984 2.478 0.777 0.882 1.000 0.800 CB 1.984 F: 21 80.527 2.788 0.936 0.934 1.000 0.950 C 2.327 21 residues pruned to eliminate duplicates G: 30 76.382 2.525 0.845 0.926 1.000 0.897 C 2.135 30 residues pruned to eliminate duplicates H: 18 46.873 2.473 0.709 0.848 0.941 0.647 C 2.120 18 residues pruned to eliminate duplicates I: 18 42.191 2.435 0.688 0.878 0.882 0.706 C 2.047 18 residues pruned to eliminate duplicates J: 20 86.798 2.940 1.020 0.927 0.947 0.789 C 2.481 20 residues pruned to eliminate duplicates K: 21 69.081 2.746 0.824 0.921 0.950 0.800 C 2.284 21 residues pruned to eliminate duplicates L: 22 72.022 2.619 0.916 0.920 1.000 0.714 C 2.205 22 residues pruned to eliminate duplicates M: 10 18.425 2.195 0.415 0.827 0.889 0.778 CB 1.675 N: 21 84.073 2.779 1.044 0.927 1.000 0.850 C 2.319 21 residues pruned to eliminate duplicates O: 10 24.983 2.144 0.926 0.867 0.889 0.778 CA 1.660 10 residues pruned to eliminate duplicates P: 15 44.676 2.377 0.736 0.916 1.000 0.929 CB 2.043 Q: 39 76.149 2.602 0.632 0.841 0.974 0.737 C 2.228 R: 16 39.781 2.465 0.382 0.921 1.000 0.933 CB 2.121 16 residues pruned to eliminate duplicates S: 21 83.463 2.774 1.041 0.920 1.000 0.850 C 2.321 21 residues pruned to eliminate duplicates T: 22 83.920 2.679 1.081 0.909 1.000 0.905 C 2.332 22 residues pruned to eliminate duplicates U: 18 43.617 2.569 0.611 0.849 0.941 0.882 CB 2.014 18 residues pruned to eliminate duplicates V: 18 52.055 2.611 0.698 0.870 0.941 0.765 CB 2.209 18 residues pruned to eliminate duplicates W: 30 76.445 2.499 0.844 0.937 1.000 0.931 C 2.144 30 residues pruned to eliminate duplicates X: 22 76.472 2.695 0.900 0.938 1.000 0.857 C 2.266 22 residues pruned to eliminate duplicates Y: 21 73.585 2.640 0.898 0.928 1.000 0.900 CA 2.300 21 residues pruned to eliminate duplicates Z: 37 68.537 2.556 0.551 0.889 0.972 0.806 C 2.133 37 residues pruned to eliminate duplicates Z: 10 28.995 2.330 0.630 0.897 1.000 0.889 CB 1.821 10 residues pruned to eliminate duplicates Z: 30 67.414 2.566 0.805 0.850 0.966 0.655 CB 2.072 20 residues pruned to eliminate duplicates Z: 30 72.920 2.531 0.767 0.934 1.000 0.931 C 2.111 30 residues pruned to eliminate duplicates Z: 39 75.115 2.546 0.751 0.863 0.947 0.737 C 2.117 40 residues pruned to eliminate duplicates Z: 30 83.157 2.522 1.054 0.938 1.000 0.862 C 2.072 31 residues pruned to eliminate duplicates Z: 21 70.977 2.729 0.769 0.928 1.000 0.850 C 2.301 21 residues pruned to eliminate duplicates Z: 18 36.776 2.450 0.412 0.895 1.000 0.941 CB 1.848 Z: 18 59.195 2.559 0.958 0.854 1.000 0.588 CB 2.116 18 residues pruned to eliminate duplicates Z: 29 58.201 2.539 0.590 0.890 0.964 0.893 CB 2.032 29 residues pruned to eliminate duplicates Z: 10 20.363 2.176 0.626 0.626 1.000 0.333 CB 1.703 Z: 18 46.097 2.608 0.598 0.854 1.000 0.824 CB 1.981 19 residues pruned to eliminate duplicates Z: 14 46.409 2.528 1.020 0.836 0.923 0.769 CB 2.044 Z: 26 59.823 2.458 0.858 0.905 0.920 0.920 C 2.027 26 residues pruned to eliminate duplicates Z: 22 86.682 2.702 1.144 0.918 1.000 0.714 C 2.302 22 residues pruned to eliminate duplicates Z: 19 47.753 2.473 0.810 0.885 0.944 0.722 CB 1.923 19 residues pruned to eliminate duplicates Z: 17 40.703 2.456 0.545 0.919 1.000 0.688 CB 1.890 18 residues pruned to eliminate duplicates Z: 12 45.831 2.451 0.944 0.903 1.000 0.636 CB 2.068 12 residues pruned to eliminate duplicates Z: 16 50.120 2.575 0.628 0.897 1.000 0.867 C 2.210 16 residues pruned to eliminate duplicates Z: 28 47.105 2.435 0.728 0.839 0.852 0.815 CB 1.890 28 residues pruned to eliminate duplicates Z: 9 20.249 2.285 0.403 0.818 0.875 0.500 CA 1.936 10 residues pruned to eliminate duplicates Z: 33 85.673 2.636 0.831 0.929 1.000 0.875 C 2.195 38 residues pruned to eliminate duplicates Z: 36 74.472 2.551 0.689 0.898 0.971 0.771 C 2.151 36 residues pruned to eliminate duplicates Z: 13 48.902 2.625 0.768 0.910 1.000 0.833 C 2.157 13 residues pruned to eliminate duplicates Z: 30 70.014 2.481 0.710 0.940 1.000 0.931 C 2.128 30 residues pruned to eliminate duplicates Z: 9 28.951 2.387 0.819 0.823 0.875 0.875 CA 2.036 9 residues pruned to eliminate duplicates Z: 31 83.157 2.447 1.138 0.929 1.000 0.833 C 2.032 31 residues pruned to eliminate duplicates Z: 15 43.496 2.392 0.694 0.900 1.000 0.929 CB 2.049 15 residues pruned to eliminate duplicates Z: 13 38.515 2.311 0.884 0.915 0.917 0.917 CB 1.970 13 residues pruned to eliminate duplicates Z: 37 85.702 2.643 0.742 0.899 1.000 0.833 C 2.219 33 residues pruned to eliminate duplicates Z: 18 41.111 2.422 0.637 0.892 1.000 0.882 CB 1.807 18 residues pruned to eliminate duplicates Z: 15 37.408 2.388 0.482 0.917 1.000 0.929 CB 1.994 15 residues pruned to eliminate duplicates Z: 15 38.437 2.369 0.533 0.920 1.000 1.000 CB 1.992 15 residues pruned to eliminate duplicates Z: 23 55.821 2.414 0.674 0.922 1.000 0.818 CB 2.072 23 residues pruned to eliminate duplicates Z: 20 56.326 2.535 0.844 0.867 1.000 0.684 CB 2.022 20 residues pruned to eliminate duplicates Z: 30 66.091 2.433 0.839 0.894 1.000 0.793 CB 1.967 30 residues pruned to eliminate duplicates Z: 15 36.880 2.369 0.479 0.912 1.000 0.857 CB 1.992 15 residues pruned to eliminate duplicates Z: 31 76.510 2.453 1.012 0.911 0.967 0.900 C 2.074 31 residues pruned to eliminate duplicates Z: 17 39.715 2.453 0.527 0.904 1.000 0.750 CB 1.887 17 residues pruned to eliminate duplicates Z: 21 71.965 2.685 0.862 0.926 1.000 0.700 C 2.256 21 residues pruned to eliminate duplicates Z: 22 74.039 2.705 0.861 0.925 1.000 0.810 C 2.252 22 residues pruned to eliminate duplicates Z: 20 97.380 2.931 1.173 0.929 1.000 0.737 C 2.455 20 residues pruned to eliminate duplicates Z: 102 73.682 2.338 0.837 0.546 0.960 0.723 CB 1.698 42 residues pruned to eliminate duplicates Z: 8 26.473 2.596 0.505 0.795 1.000 0.714 CB 1.978 8 residues pruned to eliminate duplicates Z: 19 58.269 2.577 0.845 0.862 1.000 0.722 CB 2.120 19 residues pruned to eliminate duplicates Z: 30 61.097 2.449 0.830 0.905 0.966 0.759 CB 1.866 30 residues pruned to eliminate duplicates Z: 22 82.767 2.681 1.152 0.923 0.952 0.905 C 2.310 22 residues pruned to eliminate duplicates Z: 22 70.982 2.622 0.931 0.910 0.952 0.857 C 2.278 22 residues pruned to eliminate duplicates Z: 30 85.131 2.522 1.021 0.952 1.000 0.897 C 2.136 30 residues pruned to eliminate duplicates Z: 13 37.246 2.341 0.751 0.892 1.000 0.917 C 1.885 13 residues pruned to eliminate duplicates Z: 15 40.229 2.353 0.614 0.911 1.000 0.929 CB 2.006 15 residues pruned to eliminate duplicates Z: 8 15.896 2.189 0.174 0.868 1.000 0.429 CA 1.710 Z: 30 84.204 2.527 1.040 0.939 1.000 0.897 C 2.109 30 residues pruned to eliminate duplicates Z: 15 26.068 2.177 0.811 0.790 1.000 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 38 72.623 2.521 0.759 0.866 0.946 0.730 C 2.083 38 residues pruned to eliminate duplicates Z: 27 54.698 2.412 0.723 0.884 0.962 0.846 CB 1.941 27 residues pruned to eliminate duplicates Z: 86 130.984 2.662 0.931 0.759 0.988 0.718 CB 2.221 73 residues pruned to eliminate duplicates Z: 38 70.983 2.543 0.626 0.873 0.973 0.784 C 2.114 38 residues pruned to eliminate duplicates Z: 8 14.790 2.264 0.307 0.844 0.857 0.286 CB 1.640 8 residues pruned to eliminate duplicates Z: 17 47.331 2.543 0.818 0.868 0.938 0.750 CB 1.995 17 residues pruned to eliminate duplicates Z: 19 88.937 2.871 1.091 0.921 1.000 0.944 CB 2.458 19 residues pruned to eliminate duplicates Z: 12 28.060 2.379 0.439 0.846 0.909 0.909 CB 2.019 12 residues pruned to eliminate duplicates Z: 30 56.805 2.527 0.727 0.855 0.897 0.621 CB 1.989 30 residues pruned to eliminate duplicates Z: 17 30.220 2.389 0.234 0.906 1.000 0.750 CB 1.823 17 residues pruned to eliminate duplicates Z: 18 39.811 2.424 0.533 0.896 1.000 0.765 CB 1.861 18 residues pruned to eliminate duplicates Z: 37 71.857 2.539 0.604 0.903 0.972 0.917 C 2.156 37 residues pruned to eliminate duplicates Z: 15 37.729 2.439 0.980 0.810 0.857 0.786 CB 1.859 15 residues pruned to eliminate duplicates Z: 30 65.683 2.467 0.830 0.908 1.000 0.897 CB 1.918 29 residues pruned to eliminate duplicates Z: 30 76.334 2.501 0.871 0.933 1.000 0.931 C 2.114 30 residues pruned to eliminate duplicates Z: 38 76.992 2.493 0.690 0.923 1.000 0.838 C 2.112 38 residues pruned to eliminate duplicates Z: 13 46.912 2.561 1.171 0.837 0.917 0.750 CB 1.988 13 residues pruned to eliminate duplicates Z: 15 32.108 2.460 0.451 0.798 0.857 0.786 CA 2.162 15 residues pruned to eliminate duplicates Z: 63 55.826 2.303 0.917 0.512 0.935 0.661 CB 1.696 63 residues pruned to eliminate duplicates Z: 13 34.298 2.284 0.798 0.921 0.917 0.667 CB 1.851 13 residues pruned to eliminate duplicates Z: 15 46.961 2.393 0.793 0.912 1.000 0.929 CB 2.072 15 residues pruned to eliminate duplicates Z: 37 78.919 2.557 0.759 0.908 0.972 0.861 C 2.135 37 residues pruned to eliminate duplicates Z: 18 45.791 2.542 0.587 0.869 1.000 0.824 CB 2.011 18 residues pruned to eliminate duplicates Z: 17 40.795 2.450 0.486 0.911 1.000 0.812 CB 1.984 17 residues pruned to eliminate duplicates Z: 38 77.858 2.519 0.772 0.903 0.973 0.838 C 2.100 38 residues pruned to eliminate duplicates Z: 30 77.739 2.527 0.872 0.934 1.000 0.862 C 2.128 30 residues pruned to eliminate duplicates Z: 15 43.461 2.260 0.939 0.921 1.000 0.714 CB 1.865 15 residues pruned to eliminate duplicates Z: 10 23.723 2.236 0.420 0.887 1.000 0.889 CB 1.796 10 residues pruned to eliminate duplicates Z: 37 73.140 2.534 0.677 0.920 0.944 0.778 CB 2.139 37 residues pruned to eliminate duplicates Z: 29 61.566 2.449 0.992 0.876 0.893 0.714 CB 1.941 29 residues pruned to eliminate duplicates Z: 10 18.241 2.056 0.202 0.857 1.000 0.667 CA 1.813 9 residues pruned to eliminate duplicates Z: 29 66.007 2.559 0.665 0.914 1.000 0.821 CB 2.070 29 residues pruned to eliminate duplicates Z: 43 54.713 2.337 1.113 0.541 0.929 0.595 CB 1.769 43 residues pruned to eliminate duplicates Z: 40 73.958 2.553 0.607 0.869 0.974 0.821 C 2.164 40 residues pruned to eliminate duplicates Z: 37 78.202 2.550 0.759 0.907 0.972 0.861 C 2.124 37 residues pruned to eliminate duplicates Z: 18 38.134 2.373 0.512 0.911 1.000 0.824 CB 1.827 18 residues pruned to eliminate duplicates Z: 18 58.408 2.524 0.932 0.876 1.000 0.647 C 2.111 18 residues pruned to eliminate duplicates Z: 46 40.506 2.211 0.827 0.521 0.889 0.689 CB 1.647 46 residues pruned to eliminate duplicates Z: 30 66.586 2.426 0.818 0.903 0.966 0.759 CB 2.068 30 residues pruned to eliminate duplicates Z: 18 51.481 2.485 0.780 0.880 1.000 0.765 CB 2.045 18 residues pruned to eliminate duplicates Z: 14 18.386 2.093 0.405 0.819 0.769 0.538 C 1.709 14 residues pruned to eliminate duplicates Z: 36 84.800 2.593 0.829 0.891 1.000 0.829 C 2.173 36 residues pruned to eliminate duplicates Z: 18 48.301 2.463 0.803 0.847 0.941 0.588 C 2.081 18 residues pruned to eliminate duplicates Z: 30 74.635 2.522 0.816 0.928 1.000 0.966 C 2.119 30 residues pruned to eliminate duplicates Z: 37 81.194 2.629 0.678 0.891 1.000 0.861 C 2.205 37 residues pruned to eliminate duplicates Z: 13 61.858 2.616 1.181 0.916 1.000 0.917 CA 2.211 13 residues pruned to eliminate duplicates Z: 37 86.500 2.643 0.832 0.891 0.972 0.861 C 2.201 37 residues pruned to eliminate duplicates Z: 14 26.099 2.268 0.581 0.903 0.846 0.846 CB 1.700 14 residues pruned to eliminate duplicates Z: 36 84.018 2.521 0.896 0.909 1.000 0.857 C 2.109 36 residues pruned to eliminate duplicates Z: 36 77.726 2.522 0.860 0.901 0.943 0.914 C 2.121 36 residues pruned to eliminate duplicates Z: 8 14.224 2.171 0.315 0.792 0.857 0.571 CA 1.700 8 residues pruned to eliminate duplicates Z: 30 80.163 2.508 1.023 0.936 1.000 0.690 C 2.042 30 residues pruned to eliminate duplicates Z: 7 16.306 2.257 0.261 0.857 1.000 1.000 CB 1.724 7 residues pruned to eliminate duplicates Z: 34 86.742 2.619 0.872 0.912 1.000 0.909 C 2.181 34 residues pruned to eliminate duplicates Z: 35 73.359 2.566 0.602 0.927 1.000 0.882 C 2.145 35 residues pruned to eliminate duplicates Z: 38 59.527 2.479 0.752 0.662 1.000 0.730 CB 1.939 27 residues pruned to eliminate duplicates Z: 37 55.221 2.414 1.055 0.583 0.889 0.583 C 1.927 19 residues pruned to eliminate duplicates Z: 22 72.402 2.646 0.849 0.931 1.000 0.905 C 2.257 22 residues pruned to eliminate duplicates Z: 29 59.882 2.501 0.738 0.894 0.964 0.821 CB 1.936 29 residues pruned to eliminate duplicates Z: 59 99.553 2.633 0.900 0.781 0.983 0.741 CB 2.076 61 residues pruned to eliminate duplicates Z: 9 22.855 2.376 0.379 0.896 1.000 1.000 CB 1.767 9 residues pruned to eliminate duplicates Z: 31 66.766 2.460 0.719 0.925 0.967 0.867 C 2.094 31 residues pruned to eliminate duplicates Z: 36 58.043 2.523 0.814 0.646 0.943 0.514 CB 1.985 36 residues pruned to eliminate duplicates Z: 30 72.858 2.500 0.793 0.933 1.000 0.897 C 2.106 30 residues pruned to eliminate duplicates Z: 15 40.323 2.377 0.594 0.902 1.000 0.857 CB 2.029 15 residues pruned to eliminate duplicates Z: 15 35.645 2.362 0.480 0.922 1.000 1.000 CB 1.917 15 residues pruned to eliminate duplicates Z: 43 49.263 2.316 0.880 0.561 0.929 0.690 CB 1.773 43 residues pruned to eliminate duplicates Z: 30 70.398 2.544 0.690 0.922 1.000 0.931 C 2.139 30 residues pruned to eliminate duplicates Z: 13 42.842 2.489 0.879 0.909 1.000 0.833 CB 1.876 13 residues pruned to eliminate duplicates Z: 21 74.138 2.713 0.892 0.922 1.000 0.800 C 2.271 21 residues pruned to eliminate duplicates Z: 12 37.989 2.422 0.659 0.902 1.000 0.727 CB 2.034 12 residues pruned to eliminate duplicates Z: 39 83.795 2.556 0.900 0.858 0.974 0.868 C 2.118 39 residues pruned to eliminate duplicates Z: 15 48.419 2.418 0.870 0.913 1.000 0.929 CB 2.026 15 residues pruned to eliminate duplicates Z: 30 71.347 2.520 0.711 0.951 1.000 0.862 C 2.117 30 residues pruned to eliminate duplicates Z: 15 35.507 2.362 0.435 0.923 1.000 1.000 CB 1.967 15 residues pruned to eliminate duplicates Z: 34 93.452 2.596 1.063 0.929 0.970 0.939 CB 2.193 34 residues pruned to eliminate duplicates Z: 30 91.814 2.523 1.249 0.940 1.000 0.862 C 2.086 30 residues pruned to eliminate duplicates Z: 6 8.335 2.235 0.089 0.800 0.800 0.600 CB 1.472 6 residues pruned to eliminate duplicates Z: 15 44.436 2.419 1.093 0.834 0.929 0.857 CB 1.894 14 residues pruned to eliminate duplicates Z: 19 26.938 2.323 0.444 0.567 1.000 0.778 CB 1.773 19 residues pruned to eliminate duplicates Z: 31 66.232 2.444 0.753 0.903 0.967 0.933 C 2.081 31 residues pruned to eliminate duplicates Z: 14 37.728 2.396 0.871 0.824 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 52 51.344 2.362 0.770 0.580 0.882 0.627 CB 1.805 52 residues pruned to eliminate duplicates Z: 15 48.759 2.358 0.980 0.885 1.000 0.786 C 2.015 15 residues pruned to eliminate duplicates Z: 37 81.434 2.538 0.810 0.891 1.000 0.806 C 2.125 37 residues pruned to eliminate duplicates Z: 16 37.024 2.546 0.308 0.891 1.000 0.867 CB 2.063 16 residues pruned to eliminate duplicates Z: 44 71.063 2.507 1.087 0.629 0.907 0.651 CB 2.023 45 residues pruned to eliminate duplicates Z: 73 87.339 2.510 0.809 0.642 0.972 0.611 CB 2.041 73 residues pruned to eliminate duplicates Z: 26 42.194 2.393 0.747 0.729 0.960 0.600 CB 1.711 26 residues pruned to eliminate duplicates Z: 38 74.157 2.487 0.684 0.896 1.000 0.811 C 2.087 38 residues pruned to eliminate duplicates Z: 14 29.734 2.222 0.725 0.862 0.923 0.462 CB 1.712 14 residues pruned to eliminate duplicates Z: 36 53.701 2.535 0.789 0.589 0.914 0.571 CB 2.011 27 residues pruned to eliminate duplicates Z: 12 31.076 2.315 0.566 0.849 1.000 0.727 CB 1.916 12 residues pruned to eliminate duplicates Z: 36 74.973 2.612 0.556 0.901 1.000 0.857 C 2.226 36 residues pruned to eliminate duplicates Z: 27 28.837 2.200 0.583 0.469 1.000 0.769 CB 1.676 28 residues pruned to eliminate duplicates Z: 37 79.686 2.548 0.747 0.878 1.000 0.806 C 2.166 37 residues pruned to eliminate duplicates Z: 8 15.084 2.173 0.189 0.874 1.000 1.000 CB 1.607 8 residues pruned to eliminate duplicates Z: 9 30.188 2.485 0.616 0.810 1.000 0.625 CB 2.029 9 residues pruned to eliminate duplicates Z: 28 23.441 2.115 0.624 0.407 0.963 0.593 CB 1.505 28 residues pruned to eliminate duplicates Z: 9 32.781 2.440 0.894 0.805 1.000 0.750 CB 1.922 9 residues pruned to eliminate duplicates Z: 31 71.743 2.443 0.810 0.929 1.000 0.933 C 2.072 31 residues pruned to eliminate duplicates Z: 52 76.116 2.532 0.877 0.637 0.980 0.725 CB 2.013 52 residues pruned to eliminate duplicates Z: 35 74.769 2.565 0.648 0.927 1.000 0.824 C 2.125 35 residues pruned to eliminate duplicates Z: 7 17.095 2.165 0.423 0.838 1.000 0.667 CB 1.693 7 residues pruned to eliminate duplicates Z: 17 33.569 2.401 0.359 0.920 1.000 0.812 CB 1.811 17 residues pruned to eliminate duplicates Z: 9 34.165 2.488 0.764 0.814 1.000 0.750 CB 2.094 9 residues pruned to eliminate duplicates Z: 13 29.374 2.189 0.606 0.866 1.000 0.833 C 1.766 13 residues pruned to eliminate duplicates Z: 31 75.029 2.445 0.851 0.946 1.000 0.867 C 2.094 31 residues pruned to eliminate duplicates Z: 15 45.427 2.265 0.918 0.916 1.000 0.857 C 1.973 15 residues pruned to eliminate duplicates Z: 9 28.347 2.479 0.685 0.906 0.875 0.875 CB 1.951 9 residues pruned to eliminate duplicates Z: 35 67.570 2.473 0.575 0.928 1.000 0.794 C 2.084 35 residues pruned to eliminate duplicates Z: 37 75.656 2.561 0.728 0.890 0.972 0.750 C 2.109 37 residues pruned to eliminate duplicates Z: 9 16.538 2.191 0.339 0.830 1.000 0.750 CA 1.498 9 residues pruned to eliminate duplicates Z: 18 39.894 2.434 0.495 0.905 1.000 0.706 CB 1.893 18 residues pruned to eliminate duplicates Z: 61 61.810 2.367 0.628 0.687 0.917 0.700 CB 1.903 62 residues pruned to eliminate duplicates Z: 70 118.022 2.683 0.858 0.783 0.986 0.739 CB 2.255 70 residues pruned to eliminate duplicates Z: 22 70.824 2.615 0.783 0.929 1.000 0.952 CA 2.320 22 residues pruned to eliminate duplicates Z: 30 63.045 2.529 0.491 0.939 1.000 1.000 C 2.157 30 residues pruned to eliminate duplicates Z: 39 79.254 2.526 0.769 0.884 0.974 0.868 C 2.136 39 residues pruned to eliminate duplicates Z: 9 16.736 2.026 0.231 0.823 1.000 0.625 CA 1.793 9 residues pruned to eliminate duplicates Z: 8 12.123 1.918 0.368 0.807 1.000 0.571 CB 1.335 8 residues pruned to eliminate duplicates Z: 15 37.163 2.315 0.995 0.893 1.000 0.643 CB 1.544 15 residues pruned to eliminate duplicates Z: 15 54.561 2.406 1.069 0.911 1.000 0.857 CB 2.076 15 residues pruned to eliminate duplicates Z: 17 43.117 2.402 0.636 0.909 1.000 0.688 CB 1.947 17 residues pruned to eliminate duplicates Z: 19 54.847 2.619 0.768 0.871 1.000 0.778 CB 2.037 19 residues pruned to eliminate duplicates Z: 37 84.467 2.579 0.923 0.891 0.944 0.750 C 2.160 37 residues pruned to eliminate duplicates Z: 92 91.065 2.461 0.929 0.605 0.923 0.659 CB 1.971 92 residues pruned to eliminate duplicates Z: 15 44.502 2.361 0.806 0.916 1.000 0.857 CB 1.970 15 residues pruned to eliminate duplicates Z: 24 57.841 2.363 1.219 0.675 1.000 0.652 CB 1.957 24 residues pruned to eliminate duplicates Z: 13 33.060 2.455 1.054 0.469 1.000 0.750 CB 1.954 13 residues pruned to eliminate duplicates Z: 44 56.917 2.392 0.715 0.654 0.953 0.744 CB 1.923 44 residues pruned to eliminate duplicates Z: 30 86.772 2.543 1.090 0.938 1.000 0.862 C 2.109 30 residues pruned to eliminate duplicates Z: 31 59.965 2.445 0.608 0.922 0.967 0.833 C 2.025 31 residues pruned to eliminate duplicates Z: 7 10.948 1.969 0.123 0.791 1.000 0.667 CA 1.566 7 residues pruned to eliminate duplicates Z: 31 30.485 2.198 0.834 0.535 0.833 0.733 CB 1.600 31 residues pruned to eliminate duplicates Z: 6 13.632 1.870 0.991 0.818 0.800 0.800 C 1.553 6 residues pruned to eliminate duplicates Z: 29 47.172 2.447 1.037 0.654 0.857 0.500 CB 1.808 29 residues pruned to eliminate duplicates Z: 16 39.073 2.350 0.917 0.894 1.000 0.800 CB 1.607 16 residues pruned to eliminate duplicates Z: 31 79.232 2.437 1.046 0.930 1.000 0.833 C 2.028 31 residues pruned to eliminate duplicates Z: 71 116.048 2.647 0.947 0.757 0.986 0.743 CB 2.172 71 residues pruned to eliminate duplicates Z: 19 53.674 2.522 0.936 0.831 0.944 0.667 CB 2.062 19 residues pruned to eliminate duplicates Z: 35 42.124 2.299 0.766 0.585 0.912 0.618 CB 1.799 35 residues pruned to eliminate duplicates Z: 12 15.276 2.106 1.102 0.492 0.909 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 14 22.443 2.285 0.829 0.509 0.923 0.692 CB 1.600 14 residues pruned to eliminate duplicates Z: 14 40.064 2.437 1.003 0.859 1.000 0.692 CB 1.674 14 residues pruned to eliminate duplicates Z: 31 64.238 2.440 0.639 0.928 1.000 0.933 C 2.054 31 residues pruned to eliminate duplicates Z: 70 123.328 2.680 0.962 0.780 0.986 0.754 C 2.239 70 residues pruned to eliminate duplicates Z: 69 124.690 2.721 0.921 0.803 0.971 0.765 C 2.288 69 residues pruned to eliminate duplicates Z: 23 18.394 1.938 0.569 0.369 1.000 0.727 CB 1.485 23 residues pruned to eliminate duplicates Z: 26 71.498 2.587 0.869 0.890 1.000 0.920 C 2.128 26 residues pruned to eliminate duplicates Z: 29 62.762 2.521 0.843 0.899 0.929 0.714 CB 1.966 29 residues pruned to eliminate duplicates Z: 38 79.217 2.541 0.853 0.864 0.973 0.757 C 2.084 38 residues pruned to eliminate duplicates Z: 17 56.555 2.551 0.892 0.890 1.000 0.750 CB 2.107 17 residues pruned to eliminate duplicates Z: 22 72.413 2.624 0.860 0.916 1.000 0.952 C 2.285 22 residues pruned to eliminate duplicates Z: 13 42.034 2.190 1.282 0.879 1.000 0.667 CB 1.760 13 residues pruned to eliminate duplicates Z: 36 72.938 2.613 0.748 0.892 0.886 0.743 C 2.189 36 residues pruned to eliminate duplicates Z: 15 50.149 2.357 0.959 0.916 1.000 0.857 CB 2.050 15 residues pruned to eliminate duplicates Z: 35 72.923 2.567 0.709 0.888 0.941 0.794 C 2.183 35 residues pruned to eliminate duplicates Z: 18 42.938 2.332 0.930 0.848 0.941 0.647 CB 1.824 18 residues pruned to eliminate duplicates Z: 6 15.605 2.163 0.515 0.859 1.000 1.000 CB 1.568 6 residues pruned to eliminate duplicates Z: 36 57.945 2.526 1.024 0.661 0.857 0.657 CB 1.926 36 residues pruned to eliminate duplicates Z: 19 48.678 2.591 0.803 0.819 0.944 0.667 CB 1.971 19 residues pruned to eliminate duplicates Z: 30 68.810 2.523 0.645 0.929 1.000 0.828 C 2.154 30 residues pruned to eliminate duplicates Z: 18 27.165 2.280 0.509 0.577 0.941 0.706 CA 1.889 18 residues pruned to eliminate duplicates Z: 10 29.725 2.179 0.773 0.886 1.000 0.889 C 1.850 10 residues pruned to eliminate duplicates Z: 60 101.415 2.646 0.849 0.774 0.949 0.729 C 2.232 60 residues pruned to eliminate duplicates Z: 11 21.533 2.328 0.499 0.584 0.900 0.500 CB 2.001 11 residues pruned to eliminate duplicates Z: 8 17.343 2.223 0.490 0.833 1.000 0.714 CB 1.484 8 residues pruned to eliminate duplicates Z: 30 54.233 2.471 0.332 0.941 1.000 1.000 C 2.123 30 residues pruned to eliminate duplicates Z: 15 32.069 2.264 0.490 0.924 1.000 1.000 CB 1.785 15 residues pruned to eliminate duplicates Z: 28 41.366 2.344 0.592 0.719 0.963 0.630 CB 1.817 28 residues pruned to eliminate duplicates Z: 9 10.005 2.079 0.215 0.812 0.750 0.625 CB 1.423 9 residues pruned to eliminate duplicates Z: 18 54.320 2.514 0.801 0.879 1.000 0.765 CB 2.109 18 residues pruned to eliminate duplicates Z: 15 47.629 2.388 0.868 0.901 1.000 0.714 CB 2.037 15 residues pruned to eliminate duplicates Z: 53 45.699 2.286 0.684 0.569 0.904 0.673 CB 1.704 53 residues pruned to eliminate duplicates Z: 21 56.905 2.458 0.869 0.858 1.000 0.600 CB 2.040 21 residues pruned to eliminate duplicates Z: 13 34.953 2.190 0.768 0.940 1.000 0.833 C 1.810 13 residues pruned to eliminate duplicates Z: 61 80.219 2.522 0.856 0.672 0.917 0.633 CB 2.060 61 residues pruned to eliminate duplicates Z: 30 64.025 2.473 0.612 0.930 1.000 0.931 C 2.085 30 residues pruned to eliminate duplicates Z: 8 43.855 2.677 0.931 0.907 1.000 1.000 CA 2.279 8 residues pruned to eliminate duplicates Z: 44 50.147 2.311 0.842 0.580 0.953 0.721 CB 1.744 44 residues pruned to eliminate duplicates Z: 41 64.194 2.526 0.865 0.602 0.975 0.650 CB 2.006 41 residues pruned to eliminate duplicates Z: 6 13.133 2.194 0.265 0.637 1.000 0.800 CA 1.861 6 residues pruned to eliminate duplicates Z: 29 59.788 2.511 0.457 0.940 1.000 0.964 C 2.146 29 residues pruned to eliminate duplicates Z: 9 10.434 1.830 0.702 0.608 0.875 0.625 CB 1.222 9 residues pruned to eliminate duplicates Z: 8 12.654 1.940 0.412 0.845 0.857 0.857 CA 1.514 8 residues pruned to eliminate duplicates Z: 48 58.382 2.316 0.985 0.566 0.872 0.596 CB 1.992 48 residues pruned to eliminate duplicates Z: 32 53.248 2.373 0.943 0.659 0.968 0.645 CB 1.851 32 residues pruned to eliminate duplicates Z: 51 63.158 2.437 0.854 0.568 0.920 0.640 CB 2.012 51 residues pruned to eliminate duplicates Z: 38 69.605 2.488 0.669 0.857 1.000 0.730 C 2.031 38 residues pruned to eliminate duplicates Z: 17 44.300 2.458 0.647 0.920 1.000 0.750 CB 1.928 17 residues pruned to eliminate duplicates Z: 8 14.010 2.236 0.141 0.875 1.000 0.857 CB 1.510 8 residues pruned to eliminate duplicates Z: 29 49.869 2.385 0.937 0.679 0.929 0.643 CB 1.864 29 residues pruned to eliminate duplicates Z: 48 48.510 2.248 0.936 0.528 0.915 0.660 CB 1.728 48 residues pruned to eliminate duplicates Z: 14 37.557 2.372 0.661 0.914 1.000 1.000 CB 1.869 14 residues pruned to eliminate duplicates Z: 18 37.260 2.270 0.714 0.770 0.941 0.882 CB 1.944 14 residues pruned to eliminate duplicates Z: 6 9.320 1.724 0.649 0.820 0.800 0.600 CB 1.389 Z: 100 131.737 2.635 0.963 0.723 0.939 0.636 C 2.229 106 residues pruned to eliminate duplicates Z: 31 69.061 2.438 0.686 0.943 1.000 0.900 C 2.126 31 residues pruned to eliminate duplicates Z: 52 74.961 2.548 1.034 0.597 0.941 0.667 CB 1.960 52 residues pruned to eliminate duplicates Z: 47 82.267 2.586 0.765 0.793 0.978 0.826 C 2.101 47 residues pruned to eliminate duplicates Z: 37 75.951 2.578 0.640 0.893 1.000 0.833 C 2.150 37 residues pruned to eliminate duplicates Z: 14 43.827 2.350 1.150 0.824 0.923 0.923 CB 1.968 14 residues pruned to eliminate duplicates Z: 11 14.526 2.052 1.098 0.497 0.900 0.600 CB 1.189 11 residues pruned to eliminate duplicates Z: 13 11.614 2.041 0.389 0.552 0.917 0.583 CB 1.226 13 residues pruned to eliminate duplicates Z: 24 71.615 2.617 0.889 0.932 1.000 0.913 C 2.110 24 residues pruned to eliminate duplicates Z: 37 48.326 2.332 0.858 0.589 0.917 0.556 CB 1.862 37 residues pruned to eliminate duplicates Z: 16 63.270 2.587 0.951 0.941 1.000 0.933 C 2.247 16 residues pruned to eliminate duplicates Z: 27 38.902 2.460 0.791 0.465 0.962 0.538 CB 1.866 27 residues pruned to eliminate duplicates Z: 17 45.201 2.262 0.869 0.898 1.000 0.812 CB 1.913 17 residues pruned to eliminate duplicates Z: 42 42.843 2.419 0.773 0.515 0.854 0.610 CB 1.800 42 residues pruned to eliminate duplicates Z: 17 57.640 2.566 0.867 0.876 1.000 0.688 C 2.185 17 residues pruned to eliminate duplicates Z: 17 28.641 2.237 0.653 0.828 0.812 0.688 C 1.794 17 residues pruned to eliminate duplicates Z: 17 31.888 2.421 0.258 0.861 1.000 0.812 CB 1.923 17 residues pruned to eliminate duplicates Z: 15 19.346 1.941 0.653 0.841 0.786 0.643 CB 1.530 15 residues pruned to eliminate duplicates Z: 19 44.032 2.448 0.801 0.860 1.000 0.722 CB 1.730 19 residues pruned to eliminate duplicates Z: 20 36.574 2.346 0.668 0.843 1.000 0.632 CB 1.596 20 residues pruned to eliminate duplicates Z: 6 17.397 2.145 0.680 0.794 1.000 0.800 CB 1.667 6 residues pruned to eliminate duplicates Z: 53 50.752 2.363 0.746 0.574 0.923 0.731 CB 1.721 53 residues pruned to eliminate duplicates Z: 33 62.145 2.527 0.679 0.858 0.938 0.906 CB 2.034 33 residues pruned to eliminate duplicates Z: 26 56.714 2.490 0.710 0.833 0.960 0.880 C 2.081 26 residues pruned to eliminate duplicates Z: 34 49.906 2.428 0.908 0.634 0.879 0.667 CB 1.883 34 residues pruned to eliminate duplicates Z: 6 16.986 2.152 0.591 0.793 1.000 0.600 CB 1.716 6 residues pruned to eliminate duplicates Z: 8 8.603 1.858 0.099 0.791 0.857 0.714 CA 1.439 8 residues pruned to eliminate duplicates Z: 8 16.708 2.196 0.891 0.334 1.000 0.571 CA 1.824 5 residues pruned to eliminate duplicates Z: 38 74.913 2.503 0.738 0.893 0.973 0.811 C 2.089 38 residues pruned to eliminate duplicates Z: 18 24.867 2.259 0.344 0.851 0.941 0.765 CB 1.562 18 residues pruned to eliminate duplicates Z: 10 15.122 1.913 0.275 0.798 1.000 0.778 CB 1.592 10 residues pruned to eliminate duplicates Z: 13 41.084 2.391 1.045 0.872 0.917 0.500 CB 1.928 13 residues pruned to eliminate duplicates Z: 6 4.441 1.770 -0.172 0.858 1.000 1.000 CB 0.998 6 residues pruned to eliminate duplicates Z: 7 9.622 1.695 0.309 0.784 1.000 0.833 O 1.379 7 residues pruned to eliminate duplicates Z: 9 20.577 1.928 0.834 0.890 1.000 0.875 CB 1.480 9 residues pruned to eliminate duplicates Z: 7 11.165 1.981 0.610 0.392 1.000 0.667 CA 1.603 7 residues pruned to eliminate duplicates Z: 17 79.919 2.896 1.030 0.872 1.000 0.750 C 2.477 17 residues pruned to eliminate duplicates Z: 24 32.144 2.407 0.656 0.665 0.783 0.522 CB 1.844 24 residues pruned to eliminate duplicates Z: 29 65.034 2.444 0.950 0.794 1.000 0.857 CB 1.992 29 residues pruned to eliminate duplicates Z: 8 14.655 2.242 0.575 0.630 0.857 0.714 CA 1.620 8 residues pruned to eliminate duplicates Z: 14 52.276 2.673 0.702 0.902 1.000 0.923 C 2.274 14 residues pruned to eliminate duplicates Z: 48 62.256 2.441 0.980 0.599 0.894 0.638 CB 1.913 48 residues pruned to eliminate duplicates Z: 12 21.581 2.085 0.761 0.589 0.909 0.727 C 1.790 12 residues pruned to eliminate duplicates Z: 18 37.456 2.251 0.651 0.866 0.941 0.765 C 1.902 18 residues pruned to eliminate duplicates Z: 16 32.721 2.412 0.599 0.610 1.000 0.600 CA 1.974 16 residues pruned to eliminate duplicates Z: 17 49.936 2.411 0.815 0.913 1.000 0.938 C 2.019 17 residues pruned to eliminate duplicates Z: 36 50.737 2.326 0.947 0.644 0.943 0.714 CB 1.755 36 residues pruned to eliminate duplicates Z: 7 10.575 1.652 0.494 0.880 1.000 0.833 CB 1.267 7 residues pruned to eliminate duplicates Z: 100 136.062 2.663 0.969 0.749 0.939 0.697 CB 2.224 100 residues pruned to eliminate duplicates Z: 15 20.969 2.077 0.909 0.519 0.929 0.714 CB 1.493 15 residues pruned to eliminate duplicates Z: 27 43.530 2.357 0.831 0.638 0.885 0.538 CB 1.965 27 residues pruned to eliminate duplicates Z: 11 35.912 2.270 0.906 0.858 1.000 0.900 C 1.932 11 residues pruned to eliminate duplicates Z: 40 61.400 2.450 0.612 0.858 0.897 0.667 C 2.042 40 residues pruned to eliminate duplicates Z: 39 73.920 2.412 1.225 0.734 0.947 0.579 CB 1.911 39 residues pruned to eliminate duplicates Z: 39 61.128 2.450 0.993 0.593 0.974 0.658 CB 1.909 39 residues pruned to eliminate duplicates Z: 17 38.315 2.256 0.558 0.922 1.000 0.938 CB 1.917 17 residues pruned to eliminate duplicates Z: 71 49.003 2.286 0.717 0.505 0.914 0.657 CB 1.625 71 residues pruned to eliminate duplicates Z: 78 86.380 2.394 0.951 0.633 0.961 0.610 CB 1.936 78 residues pruned to eliminate duplicates Z: 21 74.096 2.754 0.767 0.940 1.000 0.950 C 2.366 21 residues pruned to eliminate duplicates Z: 84 83.407 2.482 0.898 0.556 0.940 0.602 CB 1.958 87 residues pruned to eliminate duplicates Z: 29 66.816 2.568 1.003 0.693 0.964 0.643 C 2.134 29 residues pruned to eliminate duplicates Z: 30 76.481 2.484 0.923 0.932 1.000 0.897 C 2.076 30 residues pruned to eliminate duplicates Z: 9 9.891 2.109 0.227 0.525 1.000 0.750 CB 1.319 7 residues pruned to eliminate duplicates Z: 31 36.670 2.362 0.720 0.466 0.933 0.633 CB 1.827 31 residues pruned to eliminate duplicates Z: 39 51.582 2.426 0.754 0.595 0.974 0.684 CB 1.844 39 residues pruned to eliminate duplicates Z: 18 38.891 2.219 0.636 0.926 1.000 0.765 CB 1.822 18 residues pruned to eliminate duplicates Z: 19 31.034 2.438 1.028 0.528 0.778 0.500 CB 1.850 19 residues pruned to eliminate duplicates Z: 88 119.618 2.629 0.894 0.753 0.954 0.747 CB 2.154 88 residues pruned to eliminate duplicates Z: 15 19.327 2.137 0.585 0.488 0.857 0.500 CB 1.802 15 residues pruned to eliminate duplicates Z: 23 32.284 2.216 0.721 0.638 0.864 0.682 CB 1.837 17 residues pruned to eliminate duplicates Z: 30 61.833 2.497 0.460 0.943 1.000 0.966 C 2.182 30 residues pruned to eliminate duplicates Z: 13 18.673 2.285 0.514 0.510 0.917 0.750 CB 1.684 13 residues pruned to eliminate duplicates Z: 44 52.489 2.240 1.116 0.570 0.930 0.651 CB 1.697 44 residues pruned to eliminate duplicates Z: 32 70.944 2.454 0.939 0.819 1.000 0.903 CB 2.031 32 residues pruned to eliminate duplicates Z: 16 44.370 2.598 0.528 0.871 1.000 0.667 CB 2.105 16 residues pruned to eliminate duplicates Z: 6 3.732 1.583 0.268 0.596 0.600 0.600 C 1.265 Z: 15 58.726 2.385 1.210 0.933 1.000 0.857 C 2.078 15 residues pruned to eliminate duplicates Z: 14 14.974 2.146 0.753 0.392 0.923 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 61 108.006 2.630 0.961 0.801 0.933 0.750 CB 2.226 61 residues pruned to eliminate duplicates Z: 21 38.672 2.287 0.816 0.641 1.000 0.700 CB 1.824 24 residues pruned to eliminate duplicates Z: 13 17.302 2.238 0.337 0.493 0.917 0.667 CB 1.833 13 residues pruned to eliminate duplicates Z: 63 105.084 2.641 0.919 0.783 0.935 0.726 C 2.193 63 residues pruned to eliminate duplicates Z: 6 7.051 1.603 0.761 0.736 0.800 0.400 CB 1.130 6 residues pruned to eliminate duplicates Z: 7 10.911 2.015 0.134 0.807 1.000 0.833 CB 1.492 7 residues pruned to eliminate duplicates Z: 13 38.815 2.498 0.894 0.770 0.917 0.750 CA 2.034 13 residues pruned to eliminate duplicates Z: 52 65.863 2.486 0.774 0.625 0.980 0.588 CB 1.896 52 residues pruned to eliminate duplicates Z: 7 6.965 1.997 0.269 0.576 0.833 0.667 CB 1.251 7 residues pruned to eliminate duplicates Z: 9 27.092 2.192 0.831 0.788 1.000 1.000 C 1.852 9 residues pruned to eliminate duplicates Z: 39 54.468 2.388 0.688 0.700 0.974 0.737 CB 1.877 39 residues pruned to eliminate duplicates Z: 34 90.925 2.711 1.067 0.762 0.970 0.697 CB 2.308 34 residues pruned to eliminate duplicates Z: 31 84.398 2.397 1.178 0.924 1.000 0.800 C 2.073 31 residues pruned to eliminate duplicates Z: 12 5.478 1.685 0.642 0.281 0.909 0.364 CB 0.841 12 residues pruned to eliminate duplicates Z: 23 52.971 2.514 1.078 0.654 0.909 0.636 CB 2.059 23 residues pruned to eliminate duplicates Z: 12 7.986 1.625 0.848 0.492 0.909 0.545 CB 0.889 12 residues pruned to eliminate duplicates Z: 6 6.434 1.891 0.108 0.432 1.000 0.600 CA 1.474 6 residues pruned to eliminate duplicates Z: 28 66.710 2.463 0.897 0.887 0.926 0.889 CB 2.139 28 residues pruned to eliminate duplicates Z: 16 36.070 2.478 0.294 0.926 1.000 1.000 CB 2.037 16 residues pruned to eliminate duplicates Z: 7 13.890 1.987 0.726 0.872 1.000 0.667 CB 1.206 7 residues pruned to eliminate duplicates Z: 30 35.456 2.138 0.948 0.498 1.000 0.552 CB 1.583 30 residues pruned to eliminate duplicates Z: 18 43.717 2.411 0.786 0.865 0.882 0.765 C 2.045 18 residues pruned to eliminate duplicates Z: 17 61.882 2.672 1.071 0.791 1.000 0.812 CB 2.166 17 residues pruned to eliminate duplicates Z: 10 25.129 2.247 0.921 0.574 1.000 0.778 CA 1.807 10 residues pruned to eliminate duplicates Z: 35 93.155 2.590 0.956 0.918 1.000 0.882 C 2.223 35 residues pruned to eliminate duplicates Z: 17 30.195 2.479 0.606 0.485 0.938 0.625 CB 2.054 17 residues pruned to eliminate duplicates Z: 15 57.367 2.485 1.269 0.797 1.000 0.929 C 2.097 15 residues pruned to eliminate duplicates Z: 35 36.911 2.225 0.854 0.562 0.882 0.647 CB 1.639 35 residues pruned to eliminate duplicates Z: 18 37.329 2.139 1.024 0.720 1.000 0.882 CB 1.713 17 residues pruned to eliminate duplicates Z: 34 80.290 2.403 1.211 0.800 1.000 0.879 C 2.024 34 residues pruned to eliminate duplicates Z: 41 43.932 2.186 1.030 0.617 0.875 0.725 CB 1.602 41 residues pruned to eliminate duplicates Z: 21 33.438 2.374 0.541 0.567 1.000 0.700 CB 1.915 21 residues pruned to eliminate duplicates Z: 22 42.249 2.388 0.643 0.742 1.000 0.905 CB 1.892 22 residues pruned to eliminate duplicates Z: 64 63.606 2.367 0.820 0.569 0.937 0.619 CB 1.858 64 residues pruned to eliminate duplicates Z: 16 19.855 2.020 0.641 0.581 0.933 0.667 CB 1.532 16 residues pruned to eliminate duplicates Z: 7 12.794 2.032 0.348 0.827 1.000 0.833 CA 1.437 7 residues pruned to eliminate duplicates Z: 12 28.535 2.385 0.636 0.837 1.000 0.909 CB 1.649 12 residues pruned to eliminate duplicates Z: 10 32.816 2.361 0.908 0.695 1.000 0.667 C 2.033 10 residues pruned to eliminate duplicates Z: 19 21.160 2.255 0.237 0.623 0.889 0.667 CB 1.791 19 residues pruned to eliminate duplicates Z: 24 39.659 2.362 0.945 0.586 0.957 0.652 CB 1.733 24 residues pruned to eliminate duplicates Z: 16 14.518 1.847 0.857 0.440 0.867 0.533 CB 1.341 16 residues pruned to eliminate duplicates Z: 10 26.625 2.299 0.820 0.826 1.000 0.444 C 1.600 10 residues pruned to eliminate duplicates Z: 7 16.110 2.127 0.397 0.860 1.000 1.000 CB 1.628 7 residues pruned to eliminate duplicates Z: 82 84.544 2.474 0.900 0.593 0.951 0.568 CB 1.922 82 residues pruned to eliminate duplicates Z: 11 5.994 1.827 0.226 0.254 0.800 0.400 O 1.403 11 residues pruned to eliminate duplicates Z: 6 7.730 1.960 0.403 0.295 1.000 0.600 CA 1.581 6 residues pruned to eliminate duplicates Z: 39 94.180 2.669 1.037 0.751 1.000 0.658 CB 2.246 39 residues pruned to eliminate duplicates Z: 24 85.807 2.699 1.177 0.803 1.000 0.783 C 2.336 24 residues pruned to eliminate duplicates Z: 27 39.631 2.312 0.877 0.643 0.923 0.615 CB 1.698 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 34 59.891 2.505 0.603 0.826 0.970 0.909 CB 2.019 34 residues pruned to eliminate duplicates Z: 15 34.143 2.220 0.718 0.785 1.000 0.929 CB 1.863 16 residues pruned to eliminate duplicates Z: 31 71.853 2.496 0.781 0.910 1.000 0.967 C 2.092 31 residues pruned to eliminate duplicates Z: 34 62.837 2.523 0.662 0.831 0.970 0.909 CB 2.021 34 residues pruned to eliminate duplicates Z: 34 60.783 2.508 0.640 0.813 0.970 0.848 CB 2.020 34 residues pruned to eliminate duplicates Z: 33 66.647 2.540 0.605 0.859 1.000 0.906 CB 2.126 33 residues pruned to eliminate duplicates Z: 34 61.631 2.500 0.667 0.827 0.970 0.848 CB 2.001 34 residues pruned to eliminate duplicates Z: 34 66.395 2.460 0.906 0.818 0.939 0.788 CB 1.991 34 residues pruned to eliminate duplicates Z: 33 67.595 2.520 0.695 0.845 1.000 0.938 CB 2.081 33 residues pruned to eliminate duplicates Z: 32 72.268 2.552 0.784 0.878 0.968 0.903 CB 2.138 32 residues pruned to eliminate duplicates Z: 33 73.166 2.538 0.758 0.855 1.000 0.906 CB 2.139 33 residues pruned to eliminate duplicates Z: 33 74.630 2.523 0.986 0.853 0.938 0.812 CB 2.075 33 residues pruned to eliminate duplicates Z: 32 80.252 2.546 0.985 0.877 0.968 0.903 CB 2.141 32 residues pruned to eliminate duplicates Z: 35 70.616 2.465 0.932 0.799 0.941 0.853 CB 2.080 35 residues pruned to eliminate duplicates Z: 34 71.908 2.520 0.857 0.829 0.970 0.939 CB 2.076 34 residues pruned to eliminate duplicates Z: 33 74.839 2.535 0.832 0.856 1.000 0.938 CB 2.101 33 residues pruned to eliminate duplicates Z: 33 76.286 2.525 0.851 0.853 1.000 0.938 CB 2.132 33 residues pruned to eliminate duplicates Z: 34 69.426 2.513 0.819 0.823 0.970 0.939 CB 2.060 34 residues pruned to eliminate duplicates Z: 34 71.819 2.515 0.883 0.824 0.970 0.848 CB 2.055 34 residues pruned to eliminate duplicates Z: 33 72.998 2.526 0.805 0.850 1.000 0.812 CB 2.098 33 residues pruned to eliminate duplicates Z: 33 75.981 2.540 1.014 0.847 0.938 0.875 CB 2.079 33 residues pruned to eliminate duplicates Z: 33 76.691 2.479 1.088 0.850 0.938 0.906 CB 2.070 33 residues pruned to eliminate duplicates Z: 34 78.019 2.475 1.138 0.828 0.939 0.848 C 2.057 34 residues pruned to eliminate duplicates Z: 35 74.415 2.453 1.026 0.807 0.971 0.853 CB 2.025 35 residues pruned to eliminate duplicates Z: 33 84.010 2.525 1.164 0.852 0.969 0.875 CB 2.075 33 residues pruned to eliminate duplicates Z: 34 86.327 2.499 1.281 0.833 0.970 0.758 CB 2.040 34 residues pruned to eliminate duplicates Z: 34 85.348 2.481 1.275 0.826 0.970 0.727 CB 2.047 34 residues pruned to eliminate duplicates Z: 20 35.123 2.526 0.826 0.516 0.947 0.789 CB 1.816 20 residues pruned to eliminate duplicates Z: 74 82.811 2.563 0.895 0.618 0.890 0.658 CB 2.004 74 residues pruned to eliminate duplicates Z: 19 39.550 2.402 0.861 0.585 0.944 0.611 CB 2.035 19 residues pruned to eliminate duplicates Z: 18 29.428 2.399 0.623 0.585 0.941 0.824 CB 1.795 18 residues pruned to eliminate duplicates Z: 38 49.738 2.518 0.738 0.542 0.946 0.730 CB 1.895 38 residues pruned to eliminate duplicates Z: 25 28.660 2.295 0.786 0.450 0.875 0.542 CB 1.718 25 residues pruned to eliminate duplicates Z: 43 55.216 2.394 0.910 0.561 0.976 0.690 CB 1.800 43 residues pruned to eliminate duplicates Z: 36 61.713 2.580 0.760 0.641 0.971 0.714 CB 2.073 36 residues pruned to eliminate duplicates Z: 36 58.636 2.557 0.713 0.662 1.000 0.743 CB 1.948 36 residues pruned to eliminate duplicates Z: 44 47.203 2.435 0.666 0.557 0.907 0.651 CB 1.852 44 residues pruned to eliminate duplicates Z: 37 63.094 2.528 0.835 0.673 0.972 0.750 CB 1.989 37 residues pruned to eliminate duplicates Z: 50 62.731 2.515 0.773 0.586 0.918 0.653 CB 2.015 50 residues pruned to eliminate duplicates Z: 91 99.650 2.526 0.945 0.610 0.944 0.589 CB 2.039 91 residues pruned to eliminate duplicates Z: 31 47.367 2.382 0.879 0.593 0.933 0.600 CB 1.895 31 residues pruned to eliminate duplicates Z: 92 99.488 2.501 0.962 0.620 0.945 0.593 CB 2.008 92 residues pruned to eliminate duplicates Z: 32 56.981 2.430 0.956 0.636 1.000 0.710 CB 1.896 32 residues pruned to eliminate duplicates Z: 147 150.441 2.572 0.984 0.696 0.966 0.712 C 2.113 147 residues pruned to eliminate duplicates Z: 37 55.621 2.482 0.641 0.653 0.972 0.667 CB 2.030 37 residues pruned to eliminate duplicates Z: 40 62.205 2.548 0.872 0.610 0.923 0.692 CB 2.038 40 residues pruned to eliminate duplicates Z: 39 54.088 2.453 0.806 0.614 0.947 0.658 CB 1.877 39 residues pruned to eliminate duplicates Z: 91 94.771 2.507 0.935 0.632 0.911 0.689 CB 1.996 91 residues pruned to eliminate duplicates Z: 69 80.159 2.529 0.854 0.636 0.956 0.632 CB 1.910 69 residues pruned to eliminate duplicates Z: 36 68.872 2.558 0.926 0.640 1.000 0.629 CB 2.072 36 residues pruned to eliminate duplicates Z: 39 65.080 2.514 0.894 0.661 0.974 0.658 CB 1.962 39 residues pruned to eliminate duplicates Z: 93 94.411 2.548 0.873 0.618 0.913 0.630 CB 2.020 93 residues pruned to eliminate duplicates Z: 36 64.854 2.561 0.834 0.685 1.000 0.714 CB 1.970 36 residues pruned to eliminate duplicates Z: 80 100.568 2.504 1.061 0.623 0.975 0.570 CB 2.002 80 residues pruned to eliminate duplicates Z: 29 58.341 2.484 0.914 0.730 1.000 0.679 CB 1.884 29 residues pruned to eliminate duplicates Z: 64 83.335 2.559 0.932 0.647 0.905 0.603 CB 2.046 64 residues pruned to eliminate duplicates Z: 31 46.959 2.446 0.865 0.616 0.900 0.667 CB 1.871 31 residues pruned to eliminate duplicates Z: 36 54.598 2.576 0.840 0.615 0.914 0.771 CB 1.910 36 residues pruned to eliminate duplicates Z: 110 108.276 2.513 1.016 0.587 0.945 0.578 CB 1.994 107 residues pruned to eliminate duplicates Z: 22 48.209 2.364 0.830 0.750 1.000 0.714 C 1.946 22 residues pruned to eliminate duplicates Z: 51 69.876 2.518 0.930 0.574 0.940 0.580 CB 2.013 51 residues pruned to eliminate duplicates Z: 50 67.523 2.481 0.992 0.615 0.918 0.653 CB 1.907 50 residues pruned to eliminate duplicates Z: 71 89.139 2.549 0.968 0.633 0.929 0.643 CB 2.019 71 residues pruned to eliminate duplicates Z: 91 92.832 2.547 0.921 0.608 0.900 0.644 CB 2.006 91 residues pruned to eliminate duplicates Z: 71 96.959 2.553 1.076 0.629 0.929 0.671 CB 2.085 71 residues pruned to eliminate duplicates Z: 93 108.485 2.508 1.027 0.627 0.978 0.609 CB 2.019 94 residues pruned to eliminate duplicates Z: 8 8.402 1.996 0.258 0.536 0.714 0.571 C 1.709 8 residues pruned to eliminate duplicates Z: 79 84.323 2.500 0.980 0.588 0.897 0.603 CB 1.976 79 residues pruned to eliminate duplicates Z: 21 30.049 2.325 0.828 0.474 0.900 0.550 CB 1.803 21 residues pruned to eliminate duplicates Z: 77 87.481 2.506 0.861 0.624 0.961 0.605 CB 1.993 77 residues pruned to eliminate duplicates Z: 91 100.605 2.517 0.962 0.626 0.944 0.633 CB 2.020 91 residues pruned to eliminate duplicates Z: 52 79.293 2.517 0.980 0.630 0.961 0.569 C 2.052 52 residues pruned to eliminate duplicates Z: 93 101.482 2.489 1.017 0.612 0.935 0.598 CB 2.028 92 residues pruned to eliminate duplicates Z: 23 48.797 2.406 0.832 0.747 0.955 0.591 C 1.982 23 residues pruned to eliminate duplicates Z: 22 40.046 2.510 0.674 0.641 0.905 0.619 CB 2.015 22 residues pruned to eliminate duplicates Z: 60 86.521 2.586 0.967 0.664 0.932 0.695 CB 2.041 60 residues pruned to eliminate duplicates Z: 40 70.952 2.538 1.034 0.693 0.897 0.692 C 2.056 40 residues pruned to eliminate duplicates Z: 44 62.571 2.456 0.902 0.636 0.907 0.558 C 1.982 46 residues pruned to eliminate duplicates Z: 19 58.229 2.687 0.723 0.854 1.000 0.833 CB 2.188 19 residues pruned to eliminate duplicates Z: 92 102.348 2.512 0.943 0.644 0.945 0.670 CB 2.034 91 residues pruned to eliminate duplicates Z: 16 53.996 2.704 0.736 0.856 1.000 0.800 CB 2.190 16 residues pruned to eliminate duplicates Z: 88 92.890 2.500 0.931 0.606 0.943 0.701 CB 1.979 88 residues pruned to eliminate duplicates Z: 40 55.994 2.419 0.873 0.596 0.923 0.667 C 1.957 40 residues pruned to eliminate duplicates Z: 44 68.320 2.487 0.916 0.663 0.930 0.674 C 2.022 45 residues pruned to eliminate duplicates Z: 19 53.016 2.663 0.769 0.862 0.944 0.722 CB 2.061 19 residues pruned to eliminate duplicates Z: 43 44.289 2.306 0.717 0.535 0.929 0.643 CB 1.796 43 residues pruned to eliminate duplicates Z: 46 63.719 2.424 0.920 0.640 0.911 0.578 CB 1.965 46 residues pruned to eliminate duplicates Z: 81 95.042 2.496 0.961 0.618 0.963 0.550 CB 2.017 79 residues pruned to eliminate duplicates Z: 29 58.138 2.510 0.782 0.855 0.929 0.714 CB 1.953 29 residues pruned to eliminate duplicates Z: 53 71.197 2.519 0.955 0.611 0.885 0.577 C 2.039 53 residues pruned to eliminate duplicates Z: 73 95.055 2.519 0.961 0.672 0.944 0.597 CB 2.049 75 residues pruned to eliminate duplicates Z: 20 64.978 2.597 0.963 0.861 1.000 0.842 C 2.149 20 residues pruned to eliminate duplicates Z: 74 91.684 2.501 0.925 0.650 0.959 0.644 CB 2.020 74 residues pruned to eliminate duplicates Z: 47 58.154 2.377 0.764 0.657 0.913 0.652 CB 1.937 47 residues pruned to eliminate duplicates Z: 46 57.907 2.398 0.857 0.616 0.889 0.644 CB 1.955 46 residues pruned to eliminate duplicates Z: 45 56.522 2.374 0.798 0.654 0.886 0.591 C 1.951 45 residues pruned to eliminate duplicates Z: 96 95.443 2.470 0.913 0.613 0.937 0.589 CB 1.988 96 residues pruned to eliminate duplicates Z: 42 66.174 2.463 0.887 0.652 0.951 0.610 CB 2.029 42 residues pruned to eliminate duplicates Z: 22 36.186 2.323 0.870 0.520 0.952 0.714 C 1.872 22 residues pruned to eliminate duplicates Z: 47 58.440 2.380 0.889 0.604 0.913 0.652 CB 1.901 47 residues pruned to eliminate duplicates Z: 94 88.867 2.469 0.873 0.613 0.935 0.613 CB 1.913 94 residues pruned to eliminate duplicates Z: 54 67.580 2.467 0.781 0.615 0.943 0.679 CB 2.009 54 residues pruned to eliminate duplicates Z: 44 63.173 2.476 0.806 0.616 0.953 0.767 CB 2.025 44 residues pruned to eliminate duplicates Z: 53 62.130 2.454 0.775 0.614 0.885 0.692 CB 2.008 53 residues pruned to eliminate duplicates Z: 24 38.570 2.375 0.687 0.573 0.957 0.783 CB 1.955 24 residues pruned to eliminate duplicates Z: 22 42.779 2.398 0.887 0.581 0.952 0.667 CB 2.005 22 residues pruned to eliminate duplicates Z: 46 53.401 2.327 0.684 0.660 0.911 0.644 CB 1.921 46 residues pruned to eliminate duplicates Z: 42 61.904 2.368 0.894 0.668 0.951 0.634 CB 1.940 42 residues pruned to eliminate duplicates Z: 95 85.309 2.438 0.836 0.611 0.904 0.638 CB 1.957 95 residues pruned to eliminate duplicates Z: 52 67.266 2.452 0.804 0.659 0.941 0.706 CB 1.953 52 residues pruned to eliminate duplicates Z: 40 59.981 2.396 0.806 0.700 0.923 0.718 CB 2.003 40 residues pruned to eliminate duplicates Z: 61 74.820 2.395 0.968 0.698 0.900 0.667 CB 1.901 61 residues pruned to eliminate duplicates Z: 60 83.033 2.482 0.983 0.712 0.932 0.678 CB 1.945 60 residues pruned to eliminate duplicates Z: 59 78.187 2.481 0.828 0.736 0.931 0.776 CB 1.967 59 residues pruned to eliminate duplicates Z: 10 17.611 2.105 0.943 0.431 0.889 0.444 CB 1.734 10 residues pruned to eliminate duplicates Z: 26 39.660 2.402 0.611 0.733 0.880 0.640 CB 1.889 26 residues pruned to eliminate duplicates Z: 25 50.809 2.551 0.733 0.768 0.917 0.708 CB 2.018 25 residues pruned to eliminate duplicates Z: 59 74.174 2.410 0.920 0.702 0.931 0.638 CB 1.880 59 residues pruned to eliminate duplicates Z: 11 15.455 2.294 0.940 0.473 0.700 0.500 CB 1.613 11 residues pruned to eliminate duplicates Z: 24 38.767 2.410 0.614 0.724 0.913 0.739 CB 1.859 24 residues pruned to eliminate duplicates Z: 13 20.220 2.141 1.140 0.392 0.833 0.583 CB 1.714 13 residues pruned to eliminate duplicates Z: 25 36.272 2.410 0.478 0.689 0.917 0.625 CB 1.908 25 residues pruned to eliminate duplicates Z: 28 55.178 2.471 0.925 0.704 0.963 0.704 CB 1.925 28 residues pruned to eliminate duplicates Z: 23 36.297 2.425 0.545 0.702 0.909 0.727 CB 1.889 23 residues pruned to eliminate duplicates Z: 25 41.721 2.492 0.588 0.720 0.917 0.750 CB 1.924 25 residues pruned to eliminate duplicates Z: 28 39.224 2.402 0.592 0.671 0.926 0.667 CB 1.820 28 residues pruned to eliminate duplicates Z: 24 38.642 2.463 0.595 0.668 0.870 0.609 CB 2.019 24 residues pruned to eliminate duplicates Z: 29 39.789 2.397 0.707 0.664 0.893 0.643 CB 1.768 29 residues pruned to eliminate duplicates Z: 25 37.870 2.464 0.583 0.693 0.917 0.542 CB 1.812 25 residues pruned to eliminate duplicates Z: 38 46.201 2.286 0.843 0.642 0.946 0.676 CB 1.669 38 residues pruned to eliminate duplicates Z: 24 39.078 2.413 0.772 0.732 0.913 0.609 CB 1.694 24 residues pruned to eliminate duplicates Z: 24 38.536 2.428 0.653 0.717 0.913 0.783 CB 1.802 24 residues pruned to eliminate duplicates Z: 24 41.878 2.430 0.821 0.680 0.870 0.652 CB 1.924 24 residues pruned to eliminate duplicates Z: 23 41.435 2.433 0.764 0.696 0.864 0.591 CB 1.994 23 residues pruned to eliminate duplicates Z: 33 61.588 2.521 1.016 0.656 0.938 0.750 CB 1.978 33 residues pruned to eliminate duplicates Z: 28 43.569 2.431 0.789 0.635 0.926 0.704 CB 1.834 28 residues pruned to eliminate duplicates Z: 79 76.360 2.388 0.937 0.573 0.936 0.641 CB 1.861 79 residues pruned to eliminate duplicates Z: 102 80.459 2.352 0.831 0.569 0.970 0.673 CB 1.793 102 residues pruned to eliminate duplicates Z: 29 44.121 2.311 0.763 0.625 0.929 0.714 CA 1.959 29 residues pruned to eliminate duplicates Z: 11 12.769 2.136 0.869 0.316 0.800 0.400 CB 1.550 11 residues pruned to eliminate duplicates Z: 16 19.716 2.162 0.884 0.332 0.867 0.533 CB 1.733 16 residues pruned to eliminate duplicates Z: 52 62.278 2.384 0.980 0.591 0.922 0.510 CB 1.838 52 residues pruned to eliminate duplicates Z: 78 65.131 2.279 0.986 0.500 0.948 0.636 CB 1.730 78 residues pruned to eliminate duplicates Z: 94 68.156 2.281 0.901 0.540 0.914 0.645 CB 1.714 94 residues pruned to eliminate duplicates Z: 36 43.308 2.262 1.012 0.605 0.886 0.629 CB 1.644 36 residues pruned to eliminate duplicates Z: 61 56.051 2.279 0.880 0.540 0.933 0.650 CB 1.740 61 residues pruned to eliminate duplicates Z: 60 60.323 2.327 0.967 0.551 0.915 0.644 CB 1.783 60 residues pruned to eliminate duplicates Z: 61 56.735 2.258 0.966 0.524 0.950 0.617 CB 1.696 61 residues pruned to eliminate duplicates Z: 39 48.715 2.349 0.834 0.577 0.947 0.579 CB 1.797 39 residues pruned to eliminate duplicates Z: 18 23.980 2.141 0.771 0.450 0.941 0.529 CB 1.715 18 residues pruned to eliminate duplicates Z: 11 32.323 2.482 0.895 0.545 1.000 0.600 CB 2.079 11 residues pruned to eliminate duplicates Z: 46 56.652 2.332 1.020 0.592 0.933 0.733 CB 1.760 46 residues pruned to eliminate duplicates Z: 18 23.965 2.207 0.757 0.449 0.882 0.647 C 1.790 18 residues pruned to eliminate duplicates Z: 50 53.708 2.366 0.805 0.568 0.939 0.612 CB 1.791 50 residues pruned to eliminate duplicates Z: 83 68.279 2.352 0.852 0.578 0.915 0.646 CB 1.756 83 residues pruned to eliminate duplicates Z: 58 53.728 2.349 0.816 0.499 0.930 0.667 CB 1.796 58 residues pruned to eliminate duplicates Z: 62 49.490 2.253 0.821 0.486 0.934 0.689 CB 1.676 62 residues pruned to eliminate duplicates Z: 42 39.174 2.239 0.860 0.501 0.902 0.683 CB 1.625 42 residues pruned to eliminate duplicates Z: 79 61.508 2.325 0.797 0.576 0.910 0.641 CB 1.701 79 residues pruned to eliminate duplicates Z: 60 55.451 2.365 0.881 0.514 0.915 0.695 CB 1.748 60 residues pruned to eliminate duplicates Z: 60 49.634 2.230 0.826 0.514 0.949 0.644 CB 1.649 60 residues pruned to eliminate duplicates Z: 44 47.943 2.293 0.974 0.539 0.907 0.581 CB 1.715 44 residues pruned to eliminate duplicates Z: 69 49.353 2.313 0.678 0.521 0.912 0.618 CB 1.657 69 residues pruned to eliminate duplicates Z: 45 45.485 2.280 0.853 0.533 0.886 0.636 CB 1.773 45 residues pruned to eliminate duplicates Z: 62 55.149 2.295 0.959 0.496 0.934 0.672 CB 1.688 62 residues pruned to eliminate duplicates Z: 43 53.150 2.317 1.058 0.565 0.929 0.667 CB 1.740 43 residues pruned to eliminate duplicates Z: 66 44.516 2.180 0.803 0.470 0.908 0.615 CB 1.596 66 residues pruned to eliminate duplicates Z: 24 26.314 2.099 0.959 0.412 0.913 0.609 CB 1.603 24 residues pruned to eliminate duplicates Z: 44 50.438 2.330 0.940 0.568 0.930 0.698 CB 1.713 44 residues pruned to eliminate duplicates Z: 42 57.780 2.380 1.007 0.568 0.976 0.659 CB 1.812 42 residues pruned to eliminate duplicates Z: 52 56.208 2.401 0.839 0.552 0.980 0.667 CB 1.729 52 residues pruned to eliminate duplicates Z: 60 49.384 2.262 0.825 0.517 0.932 0.576 CB 1.643 60 residues pruned to eliminate duplicates Z: 61 55.814 2.303 1.006 0.520 0.933 0.583 CB 1.638 61 residues pruned to eliminate duplicates Z: 46 51.819 2.259 0.917 0.584 0.978 0.733 CB 1.683 46 residues pruned to eliminate duplicates Z: 85 62.675 2.337 0.875 0.571 0.845 0.679 CB 1.724 85 residues pruned to eliminate duplicates Z: 52 54.503 2.331 0.801 0.578 0.941 0.627 CB 1.792 52 residues pruned to eliminate duplicates Z: 62 47.296 2.240 0.827 0.503 0.885 0.689 CB 1.666 62 residues pruned to eliminate duplicates Z: 101 87.779 2.402 0.815 0.591 0.980 0.690 CB 1.883 101 residues pruned to eliminate duplicates Z: 45 52.249 2.278 1.028 0.558 0.932 0.727 CB 1.729 45 residues pruned to eliminate duplicates Z: 62 51.782 2.248 0.853 0.532 0.934 0.689 CB 1.651 62 residues pruned to eliminate duplicates Z: 61 50.952 2.232 0.869 0.509 0.933 0.683 CB 1.675 61 residues pruned to eliminate duplicates Z: 45 51.894 2.282 1.097 0.532 0.932 0.614 CB 1.700 45 residues pruned to eliminate duplicates Z: 63 53.339 2.216 0.908 0.516 0.952 0.677 CB 1.657 63 residues pruned to eliminate duplicates Z: 42 52.054 2.312 0.943 0.551 0.976 0.683 CB 1.765 42 residues pruned to eliminate duplicates Z: 66 51.456 2.178 0.929 0.484 0.923 0.708 CB 1.672 66 residues pruned to eliminate duplicates Z: 54 55.325 2.311 0.891 0.560 0.962 0.642 CB 1.705 54 residues pruned to eliminate duplicates Z: 69 58.048 2.312 0.850 0.516 0.956 0.750 CB 1.696 69 residues pruned to eliminate duplicates Z: 46 47.164 2.266 0.958 0.531 0.889 0.644 CB 1.730 46 residues pruned to eliminate duplicates Z: 56 49.682 2.316 0.958 0.531 0.873 0.618 CB 1.643 56 residues pruned to eliminate duplicates Z: 43 49.307 2.335 1.002 0.563 0.929 0.595 CB 1.648 43 residues pruned to eliminate duplicates Z: 87 70.665 2.353 0.927 0.549 0.919 0.628 CB 1.743 87 residues pruned to eliminate duplicates Z: 57 49.816 2.259 0.955 0.519 0.893 0.679 CB 1.658 57 residues pruned to eliminate duplicates Z: 30 43.765 2.324 0.946 0.583 0.897 0.690 CB 1.851 30 residues pruned to eliminate duplicates Z: 29 42.621 2.401 1.000 0.596 0.857 0.714 CB 1.786 29 residues pruned to eliminate duplicates Z: 49 52.363 2.292 0.975 0.559 0.896 0.729 CB 1.761 49 residues pruned to eliminate duplicates Z: 33 38.342 2.229 1.008 0.515 0.875 0.500 CB 1.706 33 residues pruned to eliminate duplicates Z: 48 45.059 2.260 0.896 0.491 0.894 0.702 CB 1.731 48 residues pruned to eliminate duplicates Z: 48 49.266 2.300 1.062 0.513 0.894 0.617 CB 1.674 48 residues pruned to eliminate duplicates Z: 36 42.869 2.435 0.665 0.568 0.886 0.629 CB 1.890 36 residues pruned to eliminate duplicates Z: 60 100.424 2.668 0.783 0.827 0.932 0.797 C 2.223 60 residues pruned to eliminate duplicates Z: 66 98.027 2.575 0.774 0.751 0.985 0.646 CB 2.161 66 residues pruned to eliminate duplicates Z: 61 105.065 2.637 0.792 0.826 0.983 0.767 C 2.201 61 residues pruned to eliminate duplicates Z: 59 107.533 2.686 0.869 0.842 0.948 0.741 C 2.210 59 residues pruned to eliminate duplicates Z: 69 123.822 2.707 0.961 0.789 0.971 0.794 C 2.261 69 residues pruned to eliminate duplicates Z: 69 112.131 2.683 0.861 0.780 0.956 0.750 C 2.225 69 residues pruned to eliminate duplicates Z: 84 123.542 2.613 1.001 0.762 0.952 0.651 C 2.160 84 residues pruned to eliminate duplicates Z: 70 116.648 2.671 0.950 0.754 0.971 0.768 C 2.215 70 residues pruned to eliminate duplicates Z: 28 67.105 2.646 1.029 0.718 0.889 0.481 C 2.222 28 residues pruned to eliminate duplicates Z: 71 121.832 2.671 0.979 0.782 0.957 0.714 CB 2.244 71 residues pruned to eliminate duplicates Z: 58 122.034 2.705 1.041 0.841 0.965 0.737 C 2.263 58 residues pruned to eliminate duplicates Z: 60 109.831 2.654 0.920 0.817 0.966 0.729 C 2.206 60 residues pruned to eliminate duplicates Z: 84 122.176 2.661 0.971 0.771 0.916 0.723 C 2.198 84 residues pruned to eliminate duplicates Z: 60 112.238 2.664 0.939 0.809 0.966 0.763 C 2.237 60 residues pruned to eliminate duplicates Z: 60 113.702 2.645 1.040 0.819 0.932 0.695 CB 2.231 60 residues pruned to eliminate duplicates Z: 70 114.646 2.633 0.953 0.767 0.986 0.783 C 2.150 70 residues pruned to eliminate duplicates Z: 63 114.594 2.677 1.016 0.786 0.935 0.645 C 2.241 63 residues pruned to eliminate duplicates Z: 84 122.326 2.612 1.009 0.760 0.928 0.699 C 2.190 84 residues pruned to eliminate duplicates Z: 71 115.435 2.666 0.942 0.752 0.957 0.743 CB 2.223 71 residues pruned to eliminate duplicates Z: 68 127.331 2.715 0.975 0.802 0.985 0.701 C 2.262 68 residues pruned to eliminate duplicates Z: 69 110.266 2.671 0.922 0.768 0.926 0.706 C 2.217 69 residues pruned to eliminate duplicates Z: 69 116.557 2.668 0.978 0.769 0.941 0.676 C 2.241 69 residues pruned to eliminate duplicates Z: 70 120.346 2.677 0.910 0.788 0.986 0.739 C 2.234 70 residues pruned to eliminate duplicates Z: 60 103.398 2.658 0.855 0.827 0.915 0.763 C 2.248 60 residues pruned to eliminate duplicates Z: 70 118.771 2.656 0.994 0.761 0.971 0.768 C 2.206 70 residues pruned to eliminate duplicates Z: 69 120.739 2.689 0.934 0.778 0.985 0.676 C 2.235 69 residues pruned to eliminate duplicates Z: 69 111.806 2.638 0.899 0.771 0.956 0.706 C 2.228 69 residues pruned to eliminate duplicates Z: 70 120.783 2.693 0.993 0.767 0.942 0.710 C 2.270 70 residues pruned to eliminate duplicates Z: 70 115.565 2.675 0.991 0.761 0.913 0.710 C 2.269 70 residues pruned to eliminate duplicates Z: 41 74.637 2.541 0.773 0.766 0.950 0.800 C 2.178 41 residues pruned to eliminate duplicates Z: 68 121.796 2.712 0.876 0.791 1.000 0.761 C 2.265 68 residues pruned to eliminate duplicates Z: 60 114.009 2.651 0.947 0.818 0.966 0.763 C 2.259 60 residues pruned to eliminate duplicates Z: 57 101.080 2.615 0.934 0.782 0.929 0.661 C 2.244 57 residues pruned to eliminate duplicates Z: 48 108.761 2.732 0.986 0.812 0.979 0.766 C 2.277 48 residues pruned to eliminate duplicates Z: 69 125.361 2.710 1.020 0.772 0.971 0.794 C 2.249 69 residues pruned to eliminate duplicates Z: 71 115.912 2.661 0.982 0.758 0.943 0.714 C 2.215 71 residues pruned to eliminate duplicates Z: 58 121.843 2.681 1.029 0.848 0.982 0.754 C 2.241 58 residues pruned to eliminate duplicates Z: 70 119.968 2.676 0.890 0.779 0.986 0.754 C 2.264 70 residues pruned to eliminate duplicates Z: 83 126.487 2.654 1.025 0.755 0.939 0.695 CB 2.205 83 residues pruned to eliminate duplicates Z: 71 107.547 2.602 1.004 0.743 0.900 0.686 CB 2.204 71 residues pruned to eliminate duplicates Z: 86 120.483 2.635 1.017 0.753 0.906 0.671 CB 2.167 86 residues pruned to eliminate duplicates Z: 60 108.123 2.657 0.956 0.813 0.932 0.746 C 2.213 60 residues pruned to eliminate duplicates Z: 81 102.071 2.539 0.845 0.745 0.938 0.625 C 2.088 81 residues pruned to eliminate duplicates Z: 47 82.812 2.568 0.815 0.756 0.978 0.826 C 2.133 47 residues pruned to eliminate duplicates Z: 69 117.790 2.676 0.982 0.766 0.956 0.779 C 2.226 69 residues pruned to eliminate duplicates Z: 82 138.778 2.708 1.024 0.776 0.975 0.716 CB 2.261 82 residues pruned to eliminate duplicates Z: 60 110.891 2.638 0.972 0.820 0.966 0.797 C 2.177 60 residues pruned to eliminate duplicates Z: 73 111.973 2.601 0.973 0.737 0.944 0.681 CB 2.201 73 residues pruned to eliminate duplicates Z: 70 110.454 2.624 0.926 0.758 0.971 0.754 C 2.155 70 residues pruned to eliminate duplicates Z: 70 126.125 2.673 1.001 0.773 0.986 0.710 C 2.261 70 residues pruned to eliminate duplicates Z: 71 117.398 2.640 0.977 0.750 0.971 0.729 C 2.214 71 residues pruned to eliminate duplicates Z: 85 128.171 2.621 1.020 0.740 0.964 0.690 CB 2.209 85 residues pruned to eliminate duplicates Z: 98 140.650 2.694 0.979 0.720 0.969 0.732 CB 2.265 98 residues pruned to eliminate duplicates Z: 72 118.389 2.621 1.026 0.743 0.972 0.704 C 2.190 72 residues pruned to eliminate duplicates Z: 48 91.542 2.597 0.896 0.770 0.979 0.787 CB 2.182 48 residues pruned to eliminate duplicates Z: 99 128.673 2.647 0.980 0.713 0.918 0.704 CB 2.227 99 residues pruned to eliminate duplicates Z: 71 108.087 2.663 0.845 0.738 0.957 0.729 CB 2.218 71 residues pruned to eliminate duplicates Z: 82 130.476 2.698 0.997 0.785 0.951 0.704 CB 2.202 82 residues pruned to eliminate duplicates Z: 49 86.998 2.620 0.835 0.757 0.958 0.854 C 2.169 49 residues pruned to eliminate duplicates Z: 75 103.529 2.574 0.898 0.726 0.946 0.703 C 2.123 75 residues pruned to eliminate duplicates Z: 49 74.693 2.505 0.939 0.699 0.917 0.688 C 2.019 49 residues pruned to eliminate duplicates Z: 83 118.411 2.654 0.927 0.761 0.927 0.732 CB 2.187 83 residues pruned to eliminate duplicates Z: 53 76.427 2.514 0.725 0.713 0.962 0.673 C 2.095 53 residues pruned to eliminate duplicates Z: 15 30.279 2.378 0.893 0.547 1.000 0.571 CB 1.717 15 residues pruned to eliminate duplicates Z: 12 20.393 2.376 0.513 0.428 1.000 0.636 CB 1.844 12 residues pruned to eliminate duplicates Z: 69 115.768 2.666 0.997 0.756 0.941 0.750 CB 2.230 69 residues pruned to eliminate duplicates Z: 70 110.925 2.654 0.831 0.768 0.986 0.768 CB 2.199 70 residues pruned to eliminate duplicates Z: 47 96.163 2.634 0.925 0.786 1.000 0.783 C 2.174 47 residues pruned to eliminate duplicates Z: 26 48.722 2.528 0.974 0.610 0.920 0.640 CB 1.912 26 residues pruned to eliminate duplicates Z: 100 139.140 2.646 1.017 0.722 0.970 0.646 CB 2.211 100 residues pruned to eliminate duplicates Z: 16 46.345 2.562 1.212 0.733 0.867 0.533 CB 1.976 16 residues pruned to eliminate duplicates Z: 87 129.359 2.628 1.021 0.743 0.953 0.651 CB 2.217 87 residues pruned to eliminate duplicates Z: 17 35.503 2.452 1.032 0.619 0.938 0.500 CB 1.698 17 residues pruned to eliminate duplicates Z: 19 38.757 2.488 0.983 0.661 0.833 0.444 CB 1.913 19 residues pruned to eliminate duplicates Z: 102 122.343 2.620 0.912 0.708 0.921 0.634 CB 2.185 102 residues pruned to eliminate duplicates Z: 15 33.924 2.583 0.953 0.692 0.857 0.500 CB 1.759 15 residues pruned to eliminate duplicates Z: 18 42.845 2.434 1.262 0.649 0.941 0.588 CB 1.745 18 residues pruned to eliminate duplicates Z: 15 44.493 2.562 1.328 0.727 0.929 0.500 CB 1.749 15 residues pruned to eliminate duplicates Z: 31 54.386 2.423 1.186 0.685 0.933 0.533 CB 1.695 31 residues pruned to eliminate duplicates Z: 20 45.314 2.530 0.992 0.770 0.842 0.632 CB 1.930 20 residues pruned to eliminate duplicates Z: 19 49.743 2.520 1.235 0.761 0.889 0.667 CB 1.858 19 residues pruned to eliminate duplicates Z: 21 44.070 2.450 0.969 0.756 0.850 0.500 CB 1.915 21 residues pruned to eliminate duplicates Z: 22 42.058 2.386 1.074 0.698 0.810 0.524 CB 1.912 22 residues pruned to eliminate duplicates Z: 20 40.829 2.473 1.043 0.745 0.842 0.421 CB 1.767 20 residues pruned to eliminate duplicates Z: 20 43.955 2.367 1.189 0.710 0.895 0.526 CB 1.798 20 residues pruned to eliminate duplicates Z: 38 55.050 2.505 0.945 0.619 0.838 0.541 CB 1.982 38 residues pruned to eliminate duplicates Z: 35 52.399 2.542 0.956 0.620 0.794 0.588 CB 2.032 35 residues pruned to eliminate duplicates Z: 103 133.244 2.632 0.971 0.737 0.951 0.696 CB 2.162 103 residues pruned to eliminate duplicates Z: 22 37.103 2.549 0.534 0.647 0.905 0.714 CB 1.995 22 residues pruned to eliminate duplicates Z: 20 24.479 2.366 0.599 0.380 0.842 0.474 C 2.002 20 residues pruned to eliminate duplicates Z: 11 19.111 2.444 0.701 0.343 0.900 0.500 C 1.915 11 residues pruned to eliminate duplicates Z: 35 59.270 2.577 1.040 0.623 0.853 0.529 CB 2.019 35 residues pruned to eliminate duplicates Z: 102 131.061 2.657 0.895 0.732 0.960 0.683 C 2.189 102 residues pruned to eliminate duplicates Z: 21 40.751 2.488 0.688 0.593 0.950 0.600 C 2.090 21 residues pruned to eliminate duplicates Z: 19 18.299 2.114 0.487 0.422 0.889 0.611 CA 1.675 19 residues pruned to eliminate duplicates Z: 36 53.935 2.548 0.835 0.622 0.886 0.457 CB 1.962 36 residues pruned to eliminate duplicates Z: 19 29.662 2.389 0.517 0.473 1.000 0.722 CB 1.982 19 residues pruned to eliminate duplicates Z: 45 62.771 2.540 0.899 0.605 0.932 0.659 CB 1.905 45 residues pruned to eliminate duplicates Z: 20 33.833 2.378 0.906 0.368 1.000 0.474 CA 1.972 20 residues pruned to eliminate duplicates Z: 18 30.620 2.387 1.029 0.437 0.824 0.647 C 1.988 18 residues pruned to eliminate duplicates Z: 40 47.973 2.399 0.966 0.534 0.897 0.615 CB 1.756 40 residues pruned to eliminate duplicates Z: 49 61.200 2.468 0.918 0.597 0.896 0.646 CB 1.900 49 residues pruned to eliminate duplicates 326 residues left after pruning, divided into chains as follows: A: 326 CC for partial structure against native data = 37.58 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.416, Connect. = 0.772 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.796 for dens.mod. cycle 2 = 0.300, Contrast = 0.573, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 0.590, Connect. = 0.831 for dens.mod. cycle 4 = 0.300, Contrast = 0.607, Connect. = 0.834 for dens.mod. cycle 5 = 0.300, Contrast = 0.618, Connect. = 0.837 for dens.mod. cycle 6 = 0.300, Contrast = 0.629, Connect. = 0.839 for dens.mod. cycle 7 = 0.300, Contrast = 0.637, Connect. = 0.840 for dens.mod. cycle 8 = 0.300, Contrast = 0.644, Connect. = 0.841 for dens.mod. cycle 9 = 0.300, Contrast = 0.650, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2379 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 427 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 77.454 2.778 0.875 0.921 1.000 0.900 C 2.341 B: 18 51.202 2.497 0.791 0.891 0.941 0.706 C 2.121 C: 30 78.661 2.518 0.899 0.953 1.000 0.897 C 2.102 D: 30 79.779 2.542 0.890 0.939 1.000 0.897 C 2.143 30 residues pruned to eliminate duplicates E: 21 80.392 2.763 0.917 0.929 1.000 0.800 CB 2.375 22 residues pruned to eliminate duplicates F: 20 91.030 2.888 1.050 0.922 1.000 0.684 C 2.479 20 residues pruned to eliminate duplicates G: 21 81.495 2.765 0.917 0.944 1.000 0.850 C 2.380 21 residues pruned to eliminate duplicates H: 29 58.900 2.478 0.602 0.890 1.000 0.857 CB 2.017 I: 10 34.059 2.351 0.866 0.908 1.000 0.889 CB 1.838 J: 22 79.654 2.673 1.025 0.926 1.000 0.905 C 2.252 21 residues pruned to eliminate duplicates K: 10 24.583 2.362 0.441 0.915 0.889 0.778 CB 1.913 10 residues pruned to eliminate duplicates L: 10 27.092 2.380 0.668 0.901 0.889 0.778 CB 1.826 10 residues pruned to eliminate duplicates M: 20 87.057 2.862 0.950 0.934 1.000 0.842 CB 2.496 21 residues pruned to eliminate duplicates N: 22 77.275 2.715 0.987 0.925 0.952 0.857 C 2.303 22 residues pruned to eliminate duplicates O: 18 46.680 2.402 0.793 0.865 0.941 0.647 C 2.045 18 residues pruned to eliminate duplicates P: 19 82.378 2.926 1.002 0.925 0.944 0.722 C 2.463 19 residues pruned to eliminate duplicates Q: 30 78.892 2.500 0.926 0.925 1.000 0.931 C 2.135 30 residues pruned to eliminate duplicates R: 20 94.069 2.932 1.064 0.934 1.000 0.842 CB 2.487 20 residues pruned to eliminate duplicates S: 20 99.106 2.929 1.182 0.928 1.000 0.737 C 2.492 20 residues pruned to eliminate duplicates T: 17 40.266 2.321 0.766 0.834 1.000 0.625 CB 1.841 17 residues pruned to eliminate duplicates U: 18 45.417 2.428 0.625 0.850 1.000 0.765 CB 2.068 18 residues pruned to eliminate duplicates V: 17 50.936 2.544 1.060 0.866 0.812 0.562 C 2.189 18 residues pruned to eliminate duplicates W: 18 34.306 2.409 0.433 0.833 0.882 0.824 CB 2.050 18 residues pruned to eliminate duplicates X: 10 22.566 2.297 0.411 0.901 0.889 0.778 CB 1.864 10 residues pruned to eliminate duplicates Y: 17 52.928 2.510 0.873 0.899 0.938 0.750 C 2.146 16 residues pruned to eliminate duplicates Z: 21 73.198 2.775 0.858 0.886 0.950 0.800 C 2.410 22 residues pruned to eliminate duplicates Z: 30 74.149 2.530 0.774 0.927 1.000 0.931 C 2.150 30 residues pruned to eliminate duplicates Z: 30 79.046 2.512 0.962 0.916 1.000 0.793 C 2.103 30 residues pruned to eliminate duplicates Z: 21 87.857 2.783 1.075 0.930 1.000 0.900 CB 2.378 21 residues pruned to eliminate duplicates Z: 19 37.998 2.303 0.406 0.882 1.000 0.833 CB 2.001 Z: 18 45.270 2.421 0.702 0.866 1.000 0.824 CB 1.951 18 residues pruned to eliminate duplicates Z: 18 37.118 2.406 0.304 0.910 1.000 0.824 CB 2.035 18 residues pruned to eliminate duplicates Z: 22 76.140 2.676 0.885 0.924 1.000 0.857 C 2.314 22 residues pruned to eliminate duplicates Z: 20 96.709 2.898 1.169 0.934 1.000 0.789 C 2.462 20 residues pruned to eliminate duplicates Z: 21 89.831 2.785 1.155 0.931 1.000 0.850 CB 2.338 21 residues pruned to eliminate duplicates Z: 19 86.575 2.918 1.227 0.934 0.889 0.667 C 2.464 19 residues pruned to eliminate duplicates Z: 20 53.121 2.630 0.612 0.842 1.000 0.632 CB 2.142 20 residues pruned to eliminate duplicates Z: 17 44.073 2.565 0.470 0.897 1.000 0.750 CB 2.092 19 residues pruned to eliminate duplicates Z: 30 77.850 2.520 0.928 0.933 1.000 0.897 C 2.076 30 residues pruned to eliminate duplicates Z: 38 71.907 2.544 0.615 0.880 0.973 0.784 CB 2.143 Z: 37 81.683 2.620 0.696 0.892 1.000 0.806 C 2.200 38 residues pruned to eliminate duplicates Z: 30 57.799 2.440 0.812 0.861 0.862 0.483 CB 2.070 30 residues pruned to eliminate duplicates Z: 15 42.953 2.408 1.157 0.895 0.929 0.929 CB 1.707 Z: 37 82.210 2.649 0.748 0.889 0.972 0.833 C 2.191 38 residues pruned to eliminate duplicates Z: 9 18.884 2.209 0.393 0.789 1.000 0.625 CA 1.684 Z: 19 58.231 2.659 0.708 0.876 1.000 0.778 CB 2.196 19 residues pruned to eliminate duplicates Z: 35 73.335 2.536 0.605 0.929 1.000 0.824 C 2.162 35 residues pruned to eliminate duplicates Z: 22 68.180 2.645 0.742 0.890 1.000 0.857 C 2.324 22 residues pruned to eliminate duplicates Z: 18 49.546 2.551 0.606 0.881 1.000 0.824 CB 2.123 18 residues pruned to eliminate duplicates Z: 19 39.625 2.341 0.572 0.894 1.000 0.778 CB 1.820 18 residues pruned to eliminate duplicates Z: 35 76.383 2.586 0.818 0.887 0.941 0.765 C 2.135 35 residues pruned to eliminate duplicates Z: 39 73.675 2.560 0.752 0.856 0.921 0.711 C 2.135 39 residues pruned to eliminate duplicates Z: 15 45.727 2.408 0.754 0.904 1.000 0.929 CB 2.061 Z: 22 79.676 2.648 1.024 0.922 1.000 0.810 C 2.281 22 residues pruned to eliminate duplicates Z: 18 58.943 2.440 1.075 0.879 1.000 0.706 CB 2.047 18 residues pruned to eliminate duplicates Z: 38 75.649 2.576 0.631 0.881 1.000 0.865 C 2.143 38 residues pruned to eliminate duplicates Z: 20 77.326 2.886 0.725 0.928 1.000 0.895 C 2.495 20 residues pruned to eliminate duplicates Z: 18 32.891 2.364 0.475 0.873 0.941 0.824 CB 1.771 18 residues pruned to eliminate duplicates Z: 18 32.082 2.437 0.224 0.903 1.000 0.824 CB 1.860 18 residues pruned to eliminate duplicates Z: 44 49.000 2.307 1.024 0.549 0.884 0.605 CB 1.726 15 residues pruned to eliminate duplicates Z: 13 32.454 2.366 0.706 0.902 0.833 0.750 C 1.986 13 residues pruned to eliminate duplicates Z: 10 21.456 2.167 0.457 0.797 1.000 0.778 CA 1.747 10 residues pruned to eliminate duplicates Z: 33 88.085 2.662 0.870 0.924 1.000 0.812 C 2.197 36 residues pruned to eliminate duplicates Z: 19 45.848 2.416 0.646 0.876 1.000 0.778 CB 1.974 18 residues pruned to eliminate duplicates Z: 30 66.304 2.471 0.884 0.896 0.897 0.759 C 2.112 29 residues pruned to eliminate duplicates Z: 17 44.263 2.494 0.563 0.906 1.000 0.812 CB 2.019 19 residues pruned to eliminate duplicates Z: 22 79.018 2.664 1.031 0.922 1.000 0.619 C 2.241 22 residues pruned to eliminate duplicates Z: 38 70.197 2.545 0.653 0.846 0.946 0.676 C 2.155 38 residues pruned to eliminate duplicates Z: 29 54.884 2.540 0.582 0.894 0.929 0.750 CB 1.993 29 residues pruned to eliminate duplicates Z: 15 41.291 2.381 0.637 0.912 1.000 1.000 CB 2.005 15 residues pruned to eliminate duplicates Z: 30 60.567 2.418 0.566 0.933 1.000 0.897 C 2.072 30 residues pruned to eliminate duplicates Z: 20 78.697 2.893 0.861 0.935 0.947 0.947 CB 2.467 20 residues pruned to eliminate duplicates Z: 36 77.543 2.534 0.771 0.888 0.971 0.800 C 2.165 34 residues pruned to eliminate duplicates Z: 30 79.023 2.538 0.893 0.930 1.000 0.897 C 2.136 30 residues pruned to eliminate duplicates Z: 13 33.348 2.270 0.873 0.871 0.917 0.750 C 1.802 13 residues pruned to eliminate duplicates Z: 21 77.835 2.719 0.949 0.926 1.000 0.850 C 2.304 21 residues pruned to eliminate duplicates Z: 30 78.236 2.581 1.168 0.857 0.897 0.448 C 2.135 30 residues pruned to eliminate duplicates Z: 29 63.160 2.488 0.712 0.910 0.964 0.643 CB 2.061 29 residues pruned to eliminate duplicates Z: 14 45.037 2.521 1.011 0.809 0.923 0.769 CB 2.040 14 residues pruned to eliminate duplicates Z: 22 50.524 2.488 0.735 0.828 0.905 0.667 C 2.125 21 residues pruned to eliminate duplicates Z: 9 33.172 2.497 0.938 0.864 0.875 0.875 C 2.031 10 residues pruned to eliminate duplicates Z: 14 29.882 2.166 0.779 0.900 0.923 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 30 70.565 2.537 0.656 0.942 1.000 0.966 C 2.163 30 residues pruned to eliminate duplicates Z: 22 78.089 2.651 1.151 0.899 0.952 0.619 C 2.243 22 residues pruned to eliminate duplicates Z: 40 73.519 2.546 0.718 0.857 0.949 0.846 C 2.090 40 residues pruned to eliminate duplicates Z: 7 13.302 2.171 0.194 0.826 1.000 0.500 CA 1.580 Z: 35 70.868 2.548 0.611 0.916 0.971 0.853 C 2.155 35 residues pruned to eliminate duplicates Z: 30 70.789 2.503 0.746 0.936 1.000 0.966 C 2.094 30 residues pruned to eliminate duplicates Z: 13 29.600 2.306 0.583 0.904 0.917 0.833 C 1.819 13 residues pruned to eliminate duplicates Z: 38 74.838 2.595 0.601 0.869 1.000 0.811 C 2.164 38 residues pruned to eliminate duplicates Z: 30 71.218 2.512 0.685 0.937 1.000 0.966 C 2.175 30 residues pruned to eliminate duplicates Z: 13 43.981 2.516 1.127 0.846 1.000 0.833 CB 1.762 13 residues pruned to eliminate duplicates Z: 29 52.986 2.481 0.666 0.880 0.893 0.786 CB 1.966 29 residues pruned to eliminate duplicates Z: 9 24.246 2.450 0.210 0.891 1.000 0.750 CB 2.078 9 residues pruned to eliminate duplicates Z: 18 45.139 2.407 0.697 0.870 1.000 0.529 C 1.956 18 residues pruned to eliminate duplicates Z: 11 14.160 1.891 0.225 0.750 1.000 0.800 C 1.546 11 residues pruned to eliminate duplicates Z: 17 51.795 2.585 0.791 0.890 0.938 0.688 CB 2.146 17 residues pruned to eliminate duplicates Z: 21 88.959 2.734 1.215 0.930 1.000 0.900 CB 2.297 21 residues pruned to eliminate duplicates Z: 10 31.431 2.291 0.889 0.885 1.000 0.778 CB 1.747 10 residues pruned to eliminate duplicates Z: 24 51.188 2.466 0.650 0.858 0.957 0.783 C 2.019 23 residues pruned to eliminate duplicates Z: 21 77.931 2.743 0.983 0.918 1.000 0.800 CB 2.259 21 residues pruned to eliminate duplicates Z: 19 39.387 2.269 0.987 0.759 0.944 0.778 CB 1.732 15 residues pruned to eliminate duplicates Z: 41 67.711 2.492 0.533 0.876 1.000 0.800 C 2.037 41 residues pruned to eliminate duplicates Z: 13 29.303 2.334 0.599 0.887 0.833 0.833 C 1.961 13 residues pruned to eliminate duplicates Z: 31 75.346 2.409 0.936 0.912 1.000 0.867 C 2.089 31 residues pruned to eliminate duplicates Z: 29 62.077 2.480 0.793 0.881 0.929 0.714 C 2.057 30 residues pruned to eliminate duplicates Z: 18 41.924 2.411 0.613 0.886 1.000 0.647 C 1.886 18 residues pruned to eliminate duplicates Z: 70 127.045 2.708 0.918 0.784 1.000 0.754 C 2.294 56 residues pruned to eliminate duplicates Z: 29 76.016 2.635 0.947 0.875 0.929 0.750 C 2.192 29 residues pruned to eliminate duplicates Z: 29 28.342 2.214 0.698 0.402 0.929 0.679 CB 1.701 12 residues pruned to eliminate duplicates Z: 38 87.121 2.620 0.834 0.883 0.973 0.838 C 2.215 38 residues pruned to eliminate duplicates Z: 31 81.174 2.404 1.219 0.912 0.967 0.633 C 2.034 31 residues pruned to eliminate duplicates Z: 14 30.488 2.177 0.572 0.854 1.000 0.846 CB 1.825 14 residues pruned to eliminate duplicates Z: 36 74.312 2.586 0.609 0.893 1.000 0.857 C 2.167 36 residues pruned to eliminate duplicates Z: 36 80.353 2.544 0.877 0.895 0.943 0.829 C 2.164 36 residues pruned to eliminate duplicates Z: 17 50.902 2.513 0.719 0.914 1.000 0.688 C 2.084 16 residues pruned to eliminate duplicates Z: 37 78.364 2.548 0.754 0.898 1.000 0.778 C 2.090 37 residues pruned to eliminate duplicates Z: 15 35.041 2.353 0.425 0.917 1.000 1.000 CB 1.971 15 residues pruned to eliminate duplicates Z: 38 78.215 2.525 0.782 0.879 1.000 0.757 CB 2.072 38 residues pruned to eliminate duplicates Z: 15 40.664 2.370 0.573 0.906 1.000 0.857 C 2.073 15 residues pruned to eliminate duplicates Z: 20 52.922 2.534 0.693 0.868 1.000 0.947 CB 2.070 19 residues pruned to eliminate duplicates Z: 39 69.036 2.516 0.735 0.876 0.895 0.737 C 2.083 39 residues pruned to eliminate duplicates Z: 31 69.725 2.443 0.850 0.935 0.967 0.900 C 2.030 31 residues pruned to eliminate duplicates Z: 7 13.363 2.293 0.647 0.670 0.833 0.667 CB 1.481 7 residues pruned to eliminate duplicates Z: 14 40.557 2.317 1.200 0.832 0.923 0.692 CB 1.794 14 residues pruned to eliminate duplicates Z: 17 54.134 2.607 0.785 0.884 1.000 0.688 CB 2.102 17 residues pruned to eliminate duplicates Z: 38 56.475 2.454 0.487 0.883 0.892 0.757 C 2.063 38 residues pruned to eliminate duplicates Z: 36 67.088 2.530 0.603 0.869 0.971 0.743 C 2.102 36 residues pruned to eliminate duplicates Z: 77 54.581 2.351 0.722 0.480 0.921 0.618 CB 1.713 70 residues pruned to eliminate duplicates Z: 19 44.279 2.635 0.571 0.845 0.944 0.611 CB 1.985 19 residues pruned to eliminate duplicates Z: 29 63.933 2.497 0.752 0.911 1.000 0.857 CB 1.958 29 residues pruned to eliminate duplicates Z: 30 54.418 2.405 0.611 0.867 0.966 0.759 C 1.977 30 residues pruned to eliminate duplicates Z: 36 88.539 2.561 0.882 0.922 1.000 0.914 C 2.184 36 residues pruned to eliminate duplicates Z: 36 59.051 2.574 0.770 0.652 0.943 0.686 CB 2.017 24 residues pruned to eliminate duplicates Z: 36 80.107 2.596 0.716 0.895 1.000 0.857 C 2.178 36 residues pruned to eliminate duplicates Z: 63 51.630 2.293 0.787 0.482 0.952 0.661 CB 1.713 63 residues pruned to eliminate duplicates Z: 30 60.197 2.425 0.681 0.887 0.966 0.724 CB 2.049 30 residues pruned to eliminate duplicates Z: 41 52.958 2.405 0.843 0.582 0.925 0.750 CB 1.887 42 residues pruned to eliminate duplicates Z: 15 42.068 2.362 0.630 0.915 1.000 0.929 C 2.064 15 residues pruned to eliminate duplicates Z: 38 74.721 2.527 0.663 0.883 1.000 0.811 C 2.113 38 residues pruned to eliminate duplicates Z: 18 38.645 2.543 0.478 0.855 1.000 0.765 CB 1.841 18 residues pruned to eliminate duplicates Z: 17 54.295 2.556 1.020 0.863 0.938 0.688 CB 2.058 17 residues pruned to eliminate duplicates Z: 15 34.612 2.336 0.519 0.874 1.000 0.929 CB 1.896 15 residues pruned to eliminate duplicates Z: 15 35.730 2.323 0.521 0.924 1.000 0.929 CB 1.899 15 residues pruned to eliminate duplicates Z: 70 111.705 2.632 0.906 0.761 0.957 0.667 CB 2.222 70 residues pruned to eliminate duplicates Z: 27 51.126 2.362 0.509 0.892 1.000 0.885 CB 2.020 27 residues pruned to eliminate duplicates Z: 21 87.171 2.759 1.050 0.938 1.000 0.750 C 2.397 21 residues pruned to eliminate duplicates Z: 21 93.329 2.746 1.219 0.943 1.000 0.750 CB 2.374 21 residues pruned to eliminate duplicates Z: 9 14.474 1.888 0.383 0.824 0.875 0.625 CA 1.693 9 residues pruned to eliminate duplicates Z: 15 48.253 2.389 0.916 0.904 1.000 0.857 C 2.007 15 residues pruned to eliminate duplicates Z: 19 56.448 2.599 0.889 0.849 0.944 0.778 CB 2.126 19 residues pruned to eliminate duplicates Z: 18 46.172 2.406 0.678 0.900 1.000 0.647 CB 1.981 17 residues pruned to eliminate duplicates Z: 30 66.692 2.505 0.616 0.926 1.000 0.966 C 2.145 30 residues pruned to eliminate duplicates Z: 30 70.817 2.518 0.697 0.931 1.000 0.931 C 2.151 30 residues pruned to eliminate duplicates Z: 31 83.299 2.602 0.946 0.913 0.967 0.900 C 2.200 31 residues pruned to eliminate duplicates Z: 12 39.227 2.539 1.015 0.791 0.909 0.727 CB 1.970 12 residues pruned to eliminate duplicates Z: 30 81.052 2.498 0.984 0.937 1.000 0.759 C 2.114 30 residues pruned to eliminate duplicates Z: 61 54.201 2.336 0.864 0.494 0.900 0.683 CB 1.796 61 residues pruned to eliminate duplicates Z: 39 68.848 2.541 0.549 0.836 0.974 0.842 C 2.182 39 residues pruned to eliminate duplicates Z: 30 65.573 2.491 0.572 0.933 1.000 0.897 C 2.169 30 residues pruned to eliminate duplicates Z: 31 78.243 2.451 1.045 0.917 0.967 0.867 C 2.082 31 residues pruned to eliminate duplicates Z: 17 56.583 2.554 0.914 0.878 1.000 0.750 CB 2.100 17 residues pruned to eliminate duplicates Z: 25 67.033 2.520 0.934 0.923 0.958 0.792 C 2.059 25 residues pruned to eliminate duplicates Z: 23 21.312 2.209 0.572 0.365 1.000 0.591 CB 1.512 23 residues pruned to eliminate duplicates Z: 29 73.009 2.490 0.872 0.914 1.000 0.857 C 2.094 29 residues pruned to eliminate duplicates Z: 18 45.880 2.362 0.769 0.900 1.000 0.706 CB 1.902 18 residues pruned to eliminate duplicates Z: 31 70.740 2.422 0.912 0.905 0.967 0.867 C 2.053 31 residues pruned to eliminate duplicates Z: 7 12.313 1.948 0.078 0.861 1.000 0.833 CB 1.758 Z: 58 71.224 2.448 1.002 0.604 0.895 0.614 C 1.949 38 residues pruned to eliminate duplicates Z: 33 80.750 2.652 0.712 0.923 1.000 0.875 C 2.209 33 residues pruned to eliminate duplicates Z: 9 35.086 2.523 0.719 0.911 1.000 0.750 CB 2.028 9 residues pruned to eliminate duplicates Z: 35 73.136 2.555 0.634 0.914 0.971 0.824 C 2.189 35 residues pruned to eliminate duplicates Z: 36 60.970 2.613 0.751 0.648 0.971 0.714 CB 2.019 29 residues pruned to eliminate duplicates Z: 29 59.809 2.495 0.721 0.890 0.964 0.786 CB 1.963 29 residues pruned to eliminate duplicates Z: 31 74.534 2.391 0.975 0.923 1.000 0.767 C 2.026 31 residues pruned to eliminate duplicates Z: 69 122.228 2.709 0.914 0.789 0.971 0.721 CB 2.285 70 residues pruned to eliminate duplicates Z: 33 88.634 2.649 0.925 0.933 0.969 0.719 C 2.213 33 residues pruned to eliminate duplicates Z: 31 69.529 2.446 0.741 0.924 1.000 0.900 C 2.093 31 residues pruned to eliminate duplicates Z: 13 26.749 2.320 0.797 0.579 0.917 0.667 C 1.874 13 residues pruned to eliminate duplicates Z: 30 68.721 2.547 0.940 0.863 0.931 0.586 CB 2.036 30 residues pruned to eliminate duplicates Z: 99 76.140 2.404 0.776 0.562 0.949 0.694 CB 1.788 95 residues pruned to eliminate duplicates Z: 17 35.086 2.413 0.358 0.891 1.000 0.875 CB 1.924 17 residues pruned to eliminate duplicates Z: 35 76.682 2.551 0.735 0.929 0.971 0.882 C 2.143 35 residues pruned to eliminate duplicates Z: 18 43.344 2.436 0.646 0.880 0.882 0.706 C 2.154 18 residues pruned to eliminate duplicates Z: 43 48.407 2.246 1.057 0.564 0.905 0.643 CB 1.678 43 residues pruned to eliminate duplicates Z: 144 145.338 2.573 0.988 0.692 0.944 0.741 CB 2.111 153 residues pruned to eliminate duplicates Z: 15 46.930 2.377 0.897 0.918 1.000 0.929 C 1.961 15 residues pruned to eliminate duplicates Z: 18 48.964 2.460 0.900 0.864 0.941 0.647 CB 1.979 18 residues pruned to eliminate duplicates Z: 44 45.145 2.284 0.818 0.539 0.907 0.558 CB 1.760 44 residues pruned to eliminate duplicates Z: 35 78.674 2.595 0.728 0.915 0.971 0.882 C 2.192 35 residues pruned to eliminate duplicates Z: 28 66.990 2.577 0.697 0.905 1.000 0.778 C 2.099 28 residues pruned to eliminate duplicates Z: 19 50.783 2.335 1.140 0.854 0.944 0.722 CB 1.873 19 residues pruned to eliminate duplicates Z: 34 80.872 2.604 0.739 0.913 1.000 0.848 C 2.199 34 residues pruned to eliminate duplicates Z: 48 51.033 2.265 0.939 0.541 0.936 0.638 CB 1.740 48 residues pruned to eliminate duplicates Z: 10 26.870 2.330 0.712 0.911 0.889 0.778 CB 1.790 10 residues pruned to eliminate duplicates Z: 30 73.874 2.525 0.755 0.932 1.000 0.897 C 2.161 30 residues pruned to eliminate duplicates Z: 45 50.013 2.295 0.900 0.541 0.955 0.591 CB 1.741 45 residues pruned to eliminate duplicates Z: 38 71.458 2.497 0.634 0.888 1.000 0.865 C 2.074 38 residues pruned to eliminate duplicates Z: 50 78.031 2.559 1.058 0.608 0.939 0.633 CB 2.036 50 residues pruned to eliminate duplicates Z: 19 32.688 2.259 0.398 0.902 1.000 0.833 CB 1.740 19 residues pruned to eliminate duplicates Z: 43 38.695 2.287 0.779 0.498 0.881 0.500 CB 1.669 43 residues pruned to eliminate duplicates Z: 71 55.865 2.307 0.773 0.505 0.929 0.671 CB 1.750 71 residues pruned to eliminate duplicates Z: 24 41.061 2.506 0.512 0.744 0.913 0.609 CB 1.988 22 residues pruned to eliminate duplicates Z: 31 70.324 2.344 1.029 0.910 0.967 0.667 C 1.980 31 residues pruned to eliminate duplicates Z: 8 19.352 2.033 0.565 0.899 1.000 0.857 CB 1.643 8 residues pruned to eliminate duplicates Z: 71 116.121 2.655 0.937 0.757 0.971 0.757 C 2.210 71 residues pruned to eliminate duplicates Z: 70 114.516 2.646 0.910 0.773 0.971 0.696 CB 2.206 70 residues pruned to eliminate duplicates Z: 12 37.099 2.452 0.801 0.921 0.909 0.818 C 1.961 12 residues pruned to eliminate duplicates Z: 8 15.294 2.229 0.075 0.837 1.000 0.571 CA 1.803 8 residues pruned to eliminate duplicates Z: 14 15.697 2.062 0.811 0.422 0.846 0.462 CB 1.494 14 residues pruned to eliminate duplicates Z: 7 17.340 2.215 0.404 0.871 1.000 0.667 CA 1.660 7 residues pruned to eliminate duplicates Z: 16 27.070 2.491 0.560 0.434 0.933 0.667 CB 2.062 16 residues pruned to eliminate duplicates Z: 30 61.996 2.510 0.487 0.927 1.000 0.966 C 2.162 30 residues pruned to eliminate duplicates Z: 9 31.530 2.498 0.671 0.810 1.000 0.875 C 2.038 9 residues pruned to eliminate duplicates Z: 16 44.745 2.383 1.122 0.861 0.867 0.733 CB 1.937 16 residues pruned to eliminate duplicates Z: 29 40.932 2.362 0.849 0.603 0.893 0.643 CB 1.799 29 residues pruned to eliminate duplicates Z: 19 33.254 2.279 0.342 0.894 1.000 0.944 CB 1.838 19 residues pruned to eliminate duplicates Z: 35 82.915 2.537 0.924 0.923 0.971 0.765 C 2.109 35 residues pruned to eliminate duplicates Z: 58 71.079 2.426 1.004 0.609 0.895 0.561 CB 1.951 58 residues pruned to eliminate duplicates Z: 30 79.504 2.456 1.063 0.909 1.000 0.690 C 2.068 30 residues pruned to eliminate duplicates Z: 37 71.230 2.545 0.524 0.914 1.000 0.833 C 2.165 37 residues pruned to eliminate duplicates Z: 30 92.882 2.510 1.252 0.949 1.000 0.931 C 2.106 30 residues pruned to eliminate duplicates Z: 7 8.576 1.693 0.919 0.838 1.000 0.667 CB 0.806 7 residues pruned to eliminate duplicates Z: 9 26.110 2.423 0.505 0.772 1.000 0.875 CB 1.990 9 residues pruned to eliminate duplicates Z: 45 55.547 2.401 0.687 0.649 0.909 0.727 CB 1.978 45 residues pruned to eliminate duplicates Z: 8 7.837 1.726 0.233 0.727 0.857 0.714 CB 1.323 8 residues pruned to eliminate duplicates Z: 31 58.616 2.418 0.581 0.901 0.967 0.767 C 2.067 31 residues pruned to eliminate duplicates Z: 21 85.521 2.799 1.023 0.940 1.000 0.800 CB 2.346 21 residues pruned to eliminate duplicates Z: 14 41.168 2.308 0.726 0.925 1.000 0.923 CB 2.012 14 residues pruned to eliminate duplicates Z: 24 70.408 2.600 0.941 0.911 0.957 0.826 C 2.155 24 residues pruned to eliminate duplicates Z: 21 64.572 2.742 0.647 0.934 0.950 0.700 CB 2.347 21 residues pruned to eliminate duplicates Z: 19 41.515 2.513 0.595 0.646 1.000 0.611 C 2.131 19 residues pruned to eliminate duplicates Z: 30 66.498 2.477 0.624 0.936 1.000 0.966 CB 2.138 30 residues pruned to eliminate duplicates Z: 18 36.639 2.371 0.525 0.909 1.000 0.765 CB 1.745 18 residues pruned to eliminate duplicates Z: 15 42.896 2.261 0.885 0.917 1.000 0.857 C 1.898 15 residues pruned to eliminate duplicates Z: 6 15.638 2.364 0.210 0.789 1.000 0.600 CB 1.895 6 residues pruned to eliminate duplicates Z: 37 76.887 2.473 0.829 0.901 0.972 0.833 C 2.080 37 residues pruned to eliminate duplicates Z: 36 73.526 2.503 0.735 0.891 0.971 0.771 C 2.118 36 residues pruned to eliminate duplicates Z: 7 17.808 2.348 0.200 0.858 1.000 1.000 CB 1.900 7 residues pruned to eliminate duplicates Z: 31 62.161 2.426 0.611 0.915 1.000 0.867 C 2.053 31 residues pruned to eliminate duplicates Z: 15 41.364 2.306 0.727 0.902 1.000 0.786 C 1.980 15 residues pruned to eliminate duplicates Z: 31 58.016 2.445 0.688 0.892 0.900 0.600 C 2.049 31 residues pruned to eliminate duplicates Z: 15 51.727 2.348 1.032 0.922 1.000 0.857 C 2.038 15 residues pruned to eliminate duplicates Z: 30 64.952 2.486 0.576 0.951 1.000 0.931 C 2.121 30 residues pruned to eliminate duplicates Z: 15 42.755 2.295 0.800 0.911 1.000 0.929 C 1.961 15 residues pruned to eliminate duplicates Z: 36 61.355 2.524 0.973 0.682 0.914 0.600 CB 1.927 36 residues pruned to eliminate duplicates Z: 45 58.425 2.341 0.723 0.643 0.977 0.636 C 1.954 45 residues pruned to eliminate duplicates Z: 9 6.696 1.895 0.225 0.439 0.875 0.375 C 1.241 9 residues pruned to eliminate duplicates Z: 26 42.884 2.464 0.567 0.714 0.920 0.680 CB 1.989 26 residues pruned to eliminate duplicates Z: 19 49.215 2.558 0.683 0.851 0.944 0.722 CB 2.112 19 residues pruned to eliminate duplicates Z: 43 45.677 2.345 0.807 0.512 0.929 0.714 CB 1.769 43 residues pruned to eliminate duplicates Z: 10 29.237 2.183 0.806 0.889 1.000 0.667 C 1.779 10 residues pruned to eliminate duplicates Z: 14 30.650 2.241 0.862 0.792 0.846 0.692 CA 1.863 14 residues pruned to eliminate duplicates Z: 7 12.157 2.250 0.207 0.825 0.833 0.333 CB 1.656 7 residues pruned to eliminate duplicates Z: 10 31.044 2.367 0.739 0.894 1.000 0.778 CB 1.804 10 residues pruned to eliminate duplicates Z: 28 58.190 2.509 0.970 0.697 0.963 0.630 CB 1.965 28 residues pruned to eliminate duplicates Z: 8 16.837 2.074 0.389 0.883 1.000 0.714 CA 1.596 8 residues pruned to eliminate duplicates Z: 33 60.848 2.541 0.803 0.704 0.938 0.750 CB 2.079 33 residues pruned to eliminate duplicates Z: 84 73.686 2.336 0.892 0.563 0.940 0.590 CB 1.832 83 residues pruned to eliminate duplicates Z: 13 41.799 2.498 0.659 0.888 1.000 0.833 C 2.097 13 residues pruned to eliminate duplicates Z: 31 59.285 2.388 0.631 0.932 0.967 0.933 CB 2.008 31 residues pruned to eliminate duplicates Z: 31 61.099 2.440 0.570 0.931 0.967 0.933 CB 2.105 31 residues pruned to eliminate duplicates Z: 60 46.389 2.318 0.666 0.469 0.932 0.661 CB 1.730 60 residues pruned to eliminate duplicates Z: 75 87.499 2.498 0.930 0.638 0.946 0.635 CB 1.960 75 residues pruned to eliminate duplicates Z: 10 29.999 2.267 1.084 0.871 0.889 0.889 CB 1.737 10 residues pruned to eliminate duplicates Z: 9 7.986 1.826 0.214 0.446 1.000 0.750 CB 1.347 6 residues pruned to eliminate duplicates Z: 18 36.736 2.384 0.571 0.835 0.941 0.706 CB 1.893 18 residues pruned to eliminate duplicates Z: 12 35.112 2.312 0.749 0.886 1.000 0.727 CB 1.889 12 residues pruned to eliminate duplicates Z: 15 51.965 2.393 1.002 0.921 1.000 0.929 C 2.039 15 residues pruned to eliminate duplicates Z: 7 4.819 1.912 0.040 0.378 0.833 0.333 CB 1.352 7 residues pruned to eliminate duplicates Z: 18 48.292 2.486 0.782 0.871 0.941 0.647 CB 2.050 18 residues pruned to eliminate duplicates Z: 34 43.872 2.350 0.921 0.544 0.909 0.545 CB 1.783 34 residues pruned to eliminate duplicates Z: 40 63.869 2.471 0.854 0.665 0.974 0.769 CB 1.966 40 residues pruned to eliminate duplicates Z: 18 45.303 2.365 0.738 0.924 1.000 0.765 CB 1.877 18 residues pruned to eliminate duplicates Z: 18 43.007 2.394 0.599 0.872 1.000 0.706 CB 1.985 18 residues pruned to eliminate duplicates Z: 19 34.385 2.275 0.850 0.720 0.833 0.722 C 1.894 19 residues pruned to eliminate duplicates Z: 11 26.342 2.257 0.618 0.835 0.900 0.900 CB 1.898 11 residues pruned to eliminate duplicates Z: 96 115.823 2.547 0.912 0.716 0.968 0.695 CB 2.072 96 residues pruned to eliminate duplicates Z: 7 17.278 2.451 0.358 0.729 0.833 0.833 CA 2.068 7 residues pruned to eliminate duplicates Z: 31 52.323 2.338 0.503 0.913 0.967 0.833 CB 1.991 31 residues pruned to eliminate duplicates Z: 9 13.825 2.150 0.142 0.796 1.000 0.625 CA 1.536 9 residues pruned to eliminate duplicates Z: 91 99.705 2.514 1.017 0.630 0.933 0.678 CB 1.964 91 residues pruned to eliminate duplicates Z: 67 79.034 2.408 0.960 0.670 0.924 0.697 CB 1.907 68 residues pruned to eliminate duplicates Z: 16 52.174 2.693 0.660 0.869 1.000 0.600 CB 2.202 16 residues pruned to eliminate duplicates Z: 15 38.588 2.295 1.179 0.868 0.929 0.571 CB 1.624 15 residues pruned to eliminate duplicates Z: 47 58.520 2.468 0.745 0.575 0.935 0.565 CB 1.992 47 residues pruned to eliminate duplicates Z: 17 43.462 2.449 0.586 0.928 0.938 0.938 C 2.089 17 residues pruned to eliminate duplicates Z: 48 79.293 2.568 0.714 0.777 0.979 0.766 C 2.103 48 residues pruned to eliminate duplicates Z: 33 63.126 2.516 0.717 0.851 0.938 0.844 CB 2.041 33 residues pruned to eliminate duplicates Z: 11 21.625 2.606 0.409 0.490 0.900 0.700 C 2.091 11 residues pruned to eliminate duplicates Z: 18 49.905 2.517 0.835 0.841 0.941 0.588 C 2.077 18 residues pruned to eliminate duplicates Z: 15 30.189 2.334 0.612 0.880 1.000 0.714 CB 1.554 15 residues pruned to eliminate duplicates Z: 16 34.920 2.403 0.337 0.917 1.000 1.000 CB 1.981 16 residues pruned to eliminate duplicates Z: 21 68.550 2.542 0.922 0.933 1.000 0.950 C 2.190 21 residues pruned to eliminate duplicates Z: 9 12.063 2.211 0.552 0.621 0.750 0.750 CB 1.478 9 residues pruned to eliminate duplicates Z: 16 51.092 2.605 0.663 0.904 1.000 1.000 CB 2.168 16 residues pruned to eliminate duplicates Z: 30 74.966 2.488 0.882 0.926 1.000 0.897 C 2.086 30 residues pruned to eliminate duplicates Z: 59 70.166 2.416 0.842 0.726 0.897 0.707 CB 1.884 59 residues pruned to eliminate duplicates Z: 38 61.795 2.461 0.827 0.664 0.973 0.757 CB 1.996 38 residues pruned to eliminate duplicates Z: 20 53.775 2.456 0.745 0.817 1.000 0.632 C 2.185 20 residues pruned to eliminate duplicates Z: 85 78.265 2.400 0.933 0.584 0.929 0.643 CB 1.828 85 residues pruned to eliminate duplicates Z: 17 35.184 2.483 0.393 0.862 0.938 0.812 CB 1.992 17 residues pruned to eliminate duplicates Z: 29 70.693 2.539 0.900 0.909 0.964 0.750 CB 2.039 29 residues pruned to eliminate duplicates Z: 9 24.806 2.325 0.465 0.867 1.000 0.875 C 1.884 9 residues pruned to eliminate duplicates Z: 38 71.366 2.474 0.705 0.885 0.973 0.865 C 2.065 38 residues pruned to eliminate duplicates Z: 21 22.533 2.237 0.539 0.415 0.950 0.600 CB 1.685 21 residues pruned to eliminate duplicates Z: 7 14.941 1.991 0.402 0.815 1.000 0.833 CB 1.661 7 residues pruned to eliminate duplicates Z: 16 18.622 2.079 0.421 0.537 0.933 0.600 C 1.682 16 residues pruned to eliminate duplicates Z: 50 101.033 2.623 0.999 0.781 0.980 0.755 C 2.194 50 residues pruned to eliminate duplicates Z: 35 40.889 2.491 0.554 0.554 0.941 0.647 CB 1.825 35 residues pruned to eliminate duplicates Z: 17 29.359 2.450 0.744 0.660 0.875 0.750 CB 1.693 17 residues pruned to eliminate duplicates Z: 20 25.351 2.134 0.640 0.488 0.947 0.579 CB 1.775 20 residues pruned to eliminate duplicates Z: 18 28.464 2.467 0.702 0.467 0.824 0.588 CA 2.065 18 residues pruned to eliminate duplicates Z: 9 15.811 1.772 1.027 0.776 0.875 0.375 CA 1.394 9 residues pruned to eliminate duplicates Z: 27 67.636 2.603 0.854 0.912 0.962 0.769 CB 2.025 27 residues pruned to eliminate duplicates Z: 37 52.914 2.328 0.970 0.611 0.944 0.639 CB 1.833 37 residues pruned to eliminate duplicates Z: 13 21.486 2.250 0.268 0.874 1.000 0.833 CB 1.583 13 residues pruned to eliminate duplicates Z: 9 19.122 1.948 0.692 0.915 1.000 0.750 CB 1.449 9 residues pruned to eliminate duplicates Z: 11 23.232 2.174 0.462 0.870 1.000 0.800 CB 1.687 11 residues pruned to eliminate duplicates Z: 7 6.605 1.676 0.799 0.395 0.833 0.667 C 1.199 7 residues pruned to eliminate duplicates Z: 10 26.072 2.224 0.858 0.670 1.000 0.889 CA 1.798 10 residues pruned to eliminate duplicates Z: 25 49.802 2.416 0.727 0.768 1.000 0.875 CB 1.921 25 residues pruned to eliminate duplicates Z: 14 41.003 2.447 0.879 0.868 1.000 0.846 CB 1.807 14 residues pruned to eliminate duplicates Z: 29 73.397 2.513 0.898 0.895 0.964 0.607 CB 2.162 29 residues pruned to eliminate duplicates Z: 6 5.240 1.711 0.717 0.294 0.800 0.800 CB 1.256 5 residues pruned to eliminate duplicates Z: 14 63.110 2.674 1.124 0.861 1.000 0.923 CA 2.264 14 residues pruned to eliminate duplicates Z: 21 37.656 2.303 0.990 0.654 0.850 0.550 C 1.874 21 residues pruned to eliminate duplicates Z: 31 63.134 2.459 0.596 0.933 0.967 0.967 C 2.121 31 residues pruned to eliminate duplicates Z: 31 64.780 2.403 0.759 0.915 0.967 0.800 C 2.046 31 residues pruned to eliminate duplicates Z: 55 105.169 2.683 0.852 0.805 0.981 0.722 C 2.250 55 residues pruned to eliminate duplicates Z: 11 18.496 2.441 1.079 0.373 0.800 0.400 CB 1.650 11 residues pruned to eliminate duplicates Z: 7 7.257 1.758 0.683 0.419 0.833 0.833 CB 1.307 7 residues pruned to eliminate duplicates Z: 7 9.253 2.425 0.476 0.358 0.833 0.167 CB 1.476 7 residues pruned to eliminate duplicates Z: 18 33.060 2.497 0.626 0.535 0.941 0.529 C 2.026 18 residues pruned to eliminate duplicates Z: 9 9.678 1.965 0.202 0.700 0.875 0.500 CB 1.380 9 residues pruned to eliminate duplicates Z: 47 73.669 2.564 0.694 0.763 0.935 0.783 CB 2.117 47 residues pruned to eliminate duplicates Z: 17 26.132 2.109 0.650 0.692 1.000 0.938 CB 1.575 14 residues pruned to eliminate duplicates Z: 8 11.409 2.151 0.341 0.500 1.000 0.714 CB 1.495 8 residues pruned to eliminate duplicates Z: 11 14.851 2.285 0.174 0.468 0.900 0.600 C 2.009 11 residues pruned to eliminate duplicates Z: 9 15.921 1.991 0.384 0.875 1.000 1.000 CA 1.485 9 residues pruned to eliminate duplicates Z: 31 61.622 2.391 0.708 0.882 0.967 0.767 CB 2.061 31 residues pruned to eliminate duplicates Z: 35 34.266 2.261 0.624 0.501 0.971 0.706 CB 1.648 35 residues pruned to eliminate duplicates Z: 6 9.437 2.073 0.093 0.690 1.000 1.000 CA 1.565 6 residues pruned to eliminate duplicates Z: 8 13.660 2.200 0.119 0.859 1.000 1.000 CA 1.543 8 residues pruned to eliminate duplicates Z: 9 14.820 2.098 0.862 0.439 1.000 0.500 CB 1.429 9 residues pruned to eliminate duplicates Z: 26 47.779 2.424 0.982 0.699 0.920 0.600 CB 1.804 26 residues pruned to eliminate duplicates Z: 21 19.107 1.957 0.853 0.372 0.900 0.700 CB 1.501 21 residues pruned to eliminate duplicates Z: 13 33.494 2.229 0.861 0.905 0.917 0.667 C 1.810 13 residues pruned to eliminate duplicates Z: 21 34.912 2.186 0.680 0.736 1.000 0.800 CB 1.720 21 residues pruned to eliminate duplicates Z: 74 105.555 2.545 0.890 0.764 0.973 0.740 CB 2.089 74 residues pruned to eliminate duplicates Z: 27 57.331 2.359 0.902 0.785 1.000 0.846 CB 1.950 27 residues pruned to eliminate duplicates Z: 44 57.592 2.421 0.715 0.672 0.953 0.651 CB 1.894 44 residues pruned to eliminate duplicates Z: 44 47.456 2.297 0.963 0.514 0.907 0.628 CB 1.744 44 residues pruned to eliminate duplicates Z: 63 96.347 2.538 0.857 0.765 0.935 0.677 C 2.194 68 residues pruned to eliminate duplicates Z: 22 26.280 2.017 0.831 0.589 0.905 0.714 CB 1.575 22 residues pruned to eliminate duplicates Z: 15 54.267 2.314 1.255 0.916 1.000 0.571 CB 1.963 15 residues pruned to eliminate duplicates Z: 18 49.552 2.537 0.872 0.774 0.941 0.824 CB 2.111 18 residues pruned to eliminate duplicates Z: 37 71.546 2.511 0.660 0.904 0.972 0.806 C 2.096 37 residues pruned to eliminate duplicates Z: 18 56.892 2.641 0.829 0.828 0.941 0.824 CA 2.284 18 residues pruned to eliminate duplicates Z: 52 77.295 2.464 1.011 0.621 0.961 0.588 C 2.028 52 residues pruned to eliminate duplicates Z: 16 11.953 1.838 0.565 0.434 0.933 0.533 CB 1.230 16 residues pruned to eliminate duplicates Z: 37 53.006 2.350 1.096 0.631 0.889 0.750 CB 1.784 37 residues pruned to eliminate duplicates Z: 9 8.612 1.971 0.293 0.500 0.750 0.625 CB 1.592 9 residues pruned to eliminate duplicates Z: 20 56.828 2.503 0.880 0.875 1.000 0.842 CB 2.016 20 residues pruned to eliminate duplicates Z: 22 50.641 2.600 0.860 0.665 0.952 0.714 CB 2.060 22 residues pruned to eliminate duplicates Z: 33 83.445 2.690 1.023 0.732 0.969 0.688 C 2.272 33 residues pruned to eliminate duplicates Z: 7 17.730 2.184 0.972 0.638 0.833 0.667 C 1.772 7 residues pruned to eliminate duplicates Z: 7 2.785 1.396 -0.191 0.447 1.000 0.667 C 1.063 Z: 13 28.339 2.457 0.722 0.654 0.833 0.750 CA 2.010 13 residues pruned to eliminate duplicates Z: 13 12.737 1.805 0.742 0.448 0.917 0.583 CB 1.346 13 residues pruned to eliminate duplicates Z: 37 77.515 2.528 0.755 0.904 1.000 0.833 C 2.074 37 residues pruned to eliminate duplicates Z: 35 74.729 2.628 0.662 0.877 0.971 0.765 C 2.195 35 residues pruned to eliminate duplicates Z: 19 18.249 2.201 0.377 0.363 1.000 0.611 CB 1.646 19 residues pruned to eliminate duplicates Z: 10 21.310 2.030 0.888 0.615 1.000 0.556 C 1.662 10 residues pruned to eliminate duplicates Z: 8 5.917 1.627 0.854 0.347 0.714 0.429 CB 1.226 6 residues pruned to eliminate duplicates Z: 17 35.072 2.228 0.564 0.894 0.938 0.812 C 1.925 17 residues pruned to eliminate duplicates Z: 53 50.688 2.246 0.911 0.494 0.923 0.654 CB 1.785 53 residues pruned to eliminate duplicates Z: 19 39.092 2.389 0.817 0.698 0.889 0.778 CB 1.993 19 residues pruned to eliminate duplicates Z: 13 38.683 2.275 0.966 0.882 1.000 1.000 C 1.807 13 residues pruned to eliminate duplicates Z: 21 32.981 2.334 0.481 0.751 0.900 0.650 CB 1.895 21 residues pruned to eliminate duplicates Z: 16 54.879 2.589 0.727 0.945 1.000 0.933 C 2.193 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 33 57.632 2.467 0.490 0.845 0.969 0.906 CB 2.128 34 residues pruned to eliminate duplicates Z: 33 68.169 2.413 0.739 0.873 1.000 0.906 C 2.092 33 residues pruned to eliminate duplicates Z: 31 62.554 2.473 0.625 0.894 0.967 0.900 CB 2.109 31 residues pruned to eliminate duplicates Z: 33 63.244 2.526 0.664 0.838 0.969 0.781 CB 2.052 33 residues pruned to eliminate duplicates Z: 33 58.615 2.496 0.576 0.858 0.969 0.875 CB 2.001 33 residues pruned to eliminate duplicates Z: 34 58.980 2.474 0.600 0.832 0.970 0.879 CB 2.009 34 residues pruned to eliminate duplicates Z: 33 72.922 2.533 0.788 0.852 1.000 0.844 CB 2.106 33 residues pruned to eliminate duplicates Z: 34 64.476 2.491 0.736 0.820 0.970 0.818 CB 2.027 34 residues pruned to eliminate duplicates Z: 34 67.899 2.481 0.832 0.823 0.970 0.879 CB 2.027 34 residues pruned to eliminate duplicates Z: 33 68.189 2.482 0.794 0.836 0.969 0.875 CB 2.092 33 residues pruned to eliminate duplicates Z: 34 71.880 2.496 0.914 0.829 0.970 0.909 CB 2.033 34 residues pruned to eliminate duplicates Z: 32 71.099 2.523 0.802 0.880 0.968 0.839 CB 2.103 32 residues pruned to eliminate duplicates Z: 34 69.282 2.471 0.858 0.813 0.970 0.788 CB 2.062 34 residues pruned to eliminate duplicates Z: 33 70.301 2.509 0.779 0.855 1.000 0.938 CB 2.056 33 residues pruned to eliminate duplicates Z: 34 63.671 2.496 0.691 0.826 0.970 0.848 CB 2.042 34 residues pruned to eliminate duplicates Z: 33 75.970 2.498 0.918 0.850 1.000 0.844 CB 2.077 33 residues pruned to eliminate duplicates Z: 34 68.183 2.494 0.814 0.824 0.970 0.879 CB 2.044 34 residues pruned to eliminate duplicates Z: 33 71.779 2.506 0.798 0.854 1.000 0.906 CB 2.080 33 residues pruned to eliminate duplicates Z: 34 70.823 2.470 0.904 0.826 0.970 0.879 CB 2.040 34 residues pruned to eliminate duplicates Z: 34 75.024 2.495 1.020 0.825 0.970 0.848 CB 2.016 34 residues pruned to eliminate duplicates Z: 34 70.294 2.469 0.908 0.832 0.970 0.758 CB 2.011 34 residues pruned to eliminate duplicates Z: 34 72.616 2.468 0.961 0.829 0.970 0.879 CB 2.027 34 residues pruned to eliminate duplicates Z: 33 79.766 2.500 0.982 0.853 1.000 0.812 C 2.102 33 residues pruned to eliminate duplicates Z: 33 72.330 2.528 0.951 0.848 0.938 0.875 CB 2.052 33 residues pruned to eliminate duplicates Z: 32 74.212 2.548 0.867 0.885 0.968 0.935 CB 2.092 32 residues pruned to eliminate duplicates Z: 34 70.810 2.485 0.917 0.828 0.970 0.818 CB 2.010 34 residues pruned to eliminate duplicates Z: 58 79.576 2.468 0.820 0.730 0.947 0.772 CB 2.014 58 residues pruned to eliminate duplicates Z: 49 53.485 2.283 0.895 0.607 0.917 0.646 CB 1.758 49 residues pruned to eliminate duplicates Z: 60 73.390 2.430 0.810 0.697 0.949 0.712 CB 1.912 60 residues pruned to eliminate duplicates Z: 39 66.328 2.377 1.072 0.715 0.921 0.684 CB 1.952 39 residues pruned to eliminate duplicates Z: 39 68.159 2.366 1.127 0.706 0.947 0.658 CB 1.923 39 residues pruned to eliminate duplicates Z: 10 18.598 1.967 1.067 0.535 0.889 0.444 C 1.658 10 residues pruned to eliminate duplicates Z: 58 76.889 2.448 0.887 0.745 0.912 0.737 CB 1.942 58 residues pruned to eliminate duplicates Z: 10 16.177 1.911 0.913 0.550 1.000 0.556 C 1.405 10 residues pruned to eliminate duplicates Z: 8 15.706 2.116 0.667 0.441 1.000 0.429 C 1.788 8 residues pruned to eliminate duplicates Z: 29 32.199 2.291 0.557 0.605 0.857 0.643 CB 1.801 29 residues pruned to eliminate duplicates Z: 10 13.256 2.173 0.950 0.469 0.778 0.556 CB 1.383 10 residues pruned to eliminate duplicates Z: 31 31.624 2.264 0.462 0.648 0.900 0.600 CB 1.689 31 residues pruned to eliminate duplicates Z: 25 36.886 2.433 0.487 0.707 0.958 0.792 CB 1.799 25 residues pruned to eliminate duplicates Z: 26 42.559 2.468 0.702 0.735 0.880 0.640 CB 1.864 26 residues pruned to eliminate duplicates Z: 25 32.849 2.309 0.477 0.656 0.875 0.583 CB 1.945 25 residues pruned to eliminate duplicates Z: 25 37.097 2.393 0.561 0.752 0.875 0.750 CB 1.850 25 residues pruned to eliminate duplicates Z: 24 51.887 2.564 0.712 0.771 0.957 0.739 CB 2.027 24 residues pruned to eliminate duplicates Z: 30 46.446 2.365 0.721 0.673 0.966 0.655 CB 1.871 30 residues pruned to eliminate duplicates Z: 19 33.542 2.442 0.616 0.753 0.889 0.611 CB 1.799 19 residues pruned to eliminate duplicates Z: 24 36.629 2.388 0.622 0.707 0.870 0.652 CB 1.880 24 residues pruned to eliminate duplicates Z: 24 34.136 2.344 0.650 0.665 0.870 0.696 CB 1.817 24 residues pruned to eliminate duplicates Z: 28 39.564 2.325 0.802 0.675 0.889 0.593 CB 1.741 28 residues pruned to eliminate duplicates Z: 24 48.047 2.516 0.663 0.717 0.957 0.609 CB 2.057 24 residues pruned to eliminate duplicates Z: 30 44.417 2.395 0.735 0.637 0.897 0.586 CB 1.947 30 residues pruned to eliminate duplicates Z: 28 51.433 2.377 0.926 0.685 0.963 0.556 CB 1.895 28 residues pruned to eliminate duplicates Z: 24 39.166 2.472 0.558 0.704 0.957 0.696 CB 1.841 24 residues pruned to eliminate duplicates Z: 36 50.076 2.422 0.856 0.601 0.943 0.657 CB 1.814 36 residues pruned to eliminate duplicates Z: 34 39.979 2.387 0.663 0.567 0.879 0.606 CB 1.870 34 residues pruned to eliminate duplicates Z: 28 42.348 2.395 0.641 0.633 0.963 0.556 CB 1.900 28 residues pruned to eliminate duplicates Z: 32 48.909 2.463 0.743 0.635 0.968 0.710 CB 1.864 32 residues pruned to eliminate duplicates Z: 31 44.998 2.419 0.763 0.615 0.967 0.633 CB 1.787 31 residues pruned to eliminate duplicates Z: 61 48.292 2.239 0.882 0.497 0.883 0.550 CB 1.680 61 residues pruned to eliminate duplicates Z: 10 9.948 2.023 0.657 0.339 0.889 0.667 CB 1.326 10 residues pruned to eliminate duplicates Z: 35 33.147 2.290 0.752 0.511 0.882 0.529 CB 1.589 35 residues pruned to eliminate duplicates Z: 40 42.046 2.352 0.743 0.586 0.872 0.513 CB 1.734 40 residues pruned to eliminate duplicates Z: 13 21.927 2.480 0.626 0.533 0.917 0.750 CB 1.658 13 residues pruned to eliminate duplicates Z: 74 77.408 2.435 0.898 0.684 0.890 0.712 CB 1.860 74 residues pruned to eliminate duplicates Z: 13 24.838 2.394 0.737 0.591 0.917 0.750 CB 1.724 13 residues pruned to eliminate duplicates Z: 19 29.003 2.356 0.945 0.551 0.889 0.778 CB 1.597 19 residues pruned to eliminate duplicates Z: 18 22.921 2.334 0.668 0.541 0.882 0.765 CB 1.556 18 residues pruned to eliminate duplicates Z: 16 20.004 2.255 0.334 0.466 1.000 0.400 CB 1.777 16 residues pruned to eliminate duplicates Z: 41 52.570 2.475 0.739 0.625 0.925 0.650 CB 1.855 41 residues pruned to eliminate duplicates Z: 18 32.651 2.449 0.707 0.553 1.000 0.824 CB 1.799 18 residues pruned to eliminate duplicates Z: 19 27.632 2.379 0.673 0.580 0.944 0.778 CB 1.605 19 residues pruned to eliminate duplicates Z: 53 54.473 2.386 0.801 0.570 0.904 0.673 CB 1.817 53 residues pruned to eliminate duplicates Z: 12 5.474 1.919 0.052 0.230 0.818 0.182 CB 1.370 12 residues pruned to eliminate duplicates Z: 17 18.529 2.363 0.385 0.486 0.938 0.562 CB 1.530 17 residues pruned to eliminate duplicates Z: 70 61.444 2.370 0.817 0.536 0.928 0.652 CB 1.788 70 residues pruned to eliminate duplicates Z: 29 39.273 2.349 0.850 0.501 0.964 0.714 CB 1.769 29 residues pruned to eliminate duplicates Z: 44 50.627 2.382 0.951 0.528 0.907 0.628 CB 1.781 44 residues pruned to eliminate duplicates Z: 45 44.985 2.326 0.803 0.515 0.932 0.727 CB 1.709 45 residues pruned to eliminate duplicates Z: 63 53.330 2.329 0.849 0.523 0.903 0.710 CB 1.702 63 residues pruned to eliminate duplicates Z: 61 58.072 2.333 0.908 0.492 0.967 0.600 CB 1.756 61 residues pruned to eliminate duplicates Z: 61 63.256 2.363 0.941 0.518 0.950 0.683 CB 1.841 61 residues pruned to eliminate duplicates Z: 128 97.969 2.432 0.839 0.612 0.937 0.701 CB 1.865 128 residues pruned to eliminate duplicates Z: 46 52.530 2.283 0.925 0.524 0.978 0.667 CB 1.779 46 residues pruned to eliminate duplicates Z: 61 53.702 2.293 0.878 0.511 0.933 0.667 CB 1.706 61 residues pruned to eliminate duplicates Z: 60 59.899 2.355 0.916 0.512 0.966 0.644 CB 1.768 60 residues pruned to eliminate duplicates Z: 45 53.298 2.324 0.931 0.569 0.909 0.682 CB 1.842 45 residues pruned to eliminate duplicates Z: 63 52.724 2.306 0.881 0.486 0.919 0.629 CB 1.704 63 residues pruned to eliminate duplicates Z: 61 55.027 2.301 0.836 0.526 0.950 0.633 CB 1.726 61 residues pruned to eliminate duplicates Z: 23 23.464 2.193 1.042 0.414 0.773 0.545 CB 1.581 23 residues pruned to eliminate duplicates Z: 61 63.339 2.364 0.918 0.523 0.983 0.633 CB 1.793 61 residues pruned to eliminate duplicates Z: 26 41.380 2.415 0.727 0.651 0.920 0.760 CB 1.874 26 residues pruned to eliminate duplicates Z: 61 53.524 2.340 0.815 0.498 0.933 0.633 CB 1.746 61 residues pruned to eliminate duplicates Z: 47 53.128 2.265 0.963 0.559 0.957 0.652 CB 1.738 47 residues pruned to eliminate duplicates Z: 69 56.838 2.366 0.782 0.536 0.912 0.721 CB 1.730 69 residues pruned to eliminate duplicates Z: 62 54.907 2.323 0.830 0.514 0.951 0.705 CB 1.715 62 residues pruned to eliminate duplicates Z: 69 63.658 2.395 0.869 0.515 0.971 0.691 CB 1.751 69 residues pruned to eliminate duplicates Z: 45 49.526 2.270 0.990 0.529 0.932 0.659 CB 1.724 45 residues pruned to eliminate duplicates Z: 60 54.330 2.345 0.825 0.508 0.932 0.712 CB 1.759 60 residues pruned to eliminate duplicates Z: 62 58.146 2.310 0.912 0.518 0.967 0.721 CB 1.711 62 residues pruned to eliminate duplicates Z: 43 54.397 2.380 1.041 0.554 0.929 0.643 CB 1.765 43 residues pruned to eliminate duplicates Z: 42 53.110 2.391 0.866 0.541 0.976 0.683 CB 1.831 42 residues pruned to eliminate duplicates Z: 54 41.874 2.188 0.912 0.464 0.887 0.604 CB 1.608 54 residues pruned to eliminate duplicates Z: 40 47.900 2.338 0.983 0.588 0.846 0.744 CB 1.797 40 residues pruned to eliminate duplicates Z: 28 42.449 2.300 0.927 0.587 0.926 0.704 CB 1.831 28 residues pruned to eliminate duplicates Z: 45 48.376 2.254 1.031 0.532 0.909 0.682 CB 1.699 45 residues pruned to eliminate duplicates Z: 85 73.352 2.337 0.922 0.515 0.952 0.583 CB 1.843 85 residues pruned to eliminate duplicates Z: 46 54.868 2.271 1.089 0.540 0.933 0.600 CB 1.775 46 residues pruned to eliminate duplicates Z: 29 37.655 2.238 1.014 0.574 0.857 0.643 CB 1.714 29 residues pruned to eliminate duplicates Z: 43 45.869 2.369 0.814 0.522 0.857 0.595 CB 1.880 43 residues pruned to eliminate duplicates Z: 63 53.412 2.285 0.916 0.486 0.919 0.645 CB 1.710 63 residues pruned to eliminate duplicates Z: 76 63.577 2.299 1.012 0.500 0.907 0.640 CB 1.752 76 residues pruned to eliminate duplicates Z: 41 43.977 2.315 0.864 0.507 0.925 0.675 CB 1.729 41 residues pruned to eliminate duplicates Z: 63 54.489 2.313 0.958 0.481 0.935 0.629 CB 1.665 63 residues pruned to eliminate duplicates Z: 62 55.441 2.352 0.904 0.489 0.934 0.656 CB 1.714 62 residues pruned to eliminate duplicates Z: 84 83.975 2.475 0.666 0.641 0.952 0.675 CB 2.057 84 residues pruned to eliminate duplicates Z: 29 31.095 2.255 0.733 0.430 0.964 0.679 CB 1.677 29 residues pruned to eliminate duplicates Z: 61 61.606 2.332 0.996 0.509 0.983 0.683 CB 1.722 61 residues pruned to eliminate duplicates Z: 72 57.172 2.360 0.777 0.497 0.944 0.606 CB 1.720 72 residues pruned to eliminate duplicates Z: 62 55.669 2.306 0.892 0.513 0.918 0.656 CB 1.756 62 residues pruned to eliminate duplicates Z: 44 45.834 2.312 0.854 0.533 0.953 0.674 CB 1.655 44 residues pruned to eliminate duplicates Z: 57 60.980 2.340 0.984 0.520 0.946 0.661 CB 1.818 57 residues pruned to eliminate duplicates Z: 61 53.015 2.355 0.854 0.480 0.917 0.700 CB 1.745 61 residues pruned to eliminate duplicates Z: 61 61.571 2.363 0.962 0.494 0.950 0.667 CB 1.815 61 residues pruned to eliminate duplicates Z: 23 30.514 2.341 0.687 0.409 1.000 0.636 CB 1.813 23 residues pruned to eliminate duplicates Z: 61 55.168 2.315 0.820 0.501 0.933 0.583 CB 1.809 61 residues pruned to eliminate duplicates Z: 71 65.493 2.409 0.887 0.522 0.957 0.671 CB 1.761 71 residues pruned to eliminate duplicates Z: 22 26.016 2.262 0.571 0.382 1.000 0.667 CB 1.810 22 residues pruned to eliminate duplicates Z: 64 61.384 2.294 0.907 0.502 1.000 0.698 CB 1.765 64 residues pruned to eliminate duplicates Z: 28 32.150 2.326 0.583 0.372 0.963 0.667 C 2.001 28 residues pruned to eliminate duplicates Z: 10 9.171 1.911 0.724 0.287 0.778 0.667 CB 1.516 10 residues pruned to eliminate duplicates Z: 7 4.485 1.914 0.689 0.083 0.833 0.333 CA 1.165 Z: 23 60.500 2.717 0.627 0.851 0.955 0.818 CB 2.261 23 residues pruned to eliminate duplicates Z: 10 4.554 2.043 0.258 0.139 0.778 0.333 CA 1.188 8 residues pruned to eliminate duplicates Z: 22 76.663 2.650 0.949 0.922 1.000 0.762 CB 2.278 22 residues pruned to eliminate duplicates Z: 59 111.246 2.674 0.892 0.831 0.948 0.724 C 2.287 59 residues pruned to eliminate duplicates Z: 83 124.372 2.680 0.905 0.762 0.963 0.780 C 2.213 83 residues pruned to eliminate duplicates Z: 82 131.546 2.722 0.913 0.801 0.951 0.741 C 2.269 82 residues pruned to eliminate duplicates Z: 71 108.030 2.640 0.805 0.752 0.971 0.700 C 2.227 71 residues pruned to eliminate duplicates Z: 71 105.533 2.672 0.770 0.761 0.943 0.729 C 2.244 71 residues pruned to eliminate duplicates Z: 65 96.599 2.665 0.729 0.758 0.922 0.750 C 2.260 65 residues pruned to eliminate duplicates Z: 60 109.041 2.713 0.758 0.845 0.966 0.763 C 2.290 60 residues pruned to eliminate duplicates Z: 70 109.066 2.674 0.829 0.766 0.942 0.754 C 2.249 70 residues pruned to eliminate duplicates Z: 83 120.890 2.649 0.959 0.770 0.915 0.671 CB 2.214 83 residues pruned to eliminate duplicates Z: 69 124.438 2.735 0.835 0.810 1.000 0.706 C 2.296 69 residues pruned to eliminate duplicates Z: 70 118.803 2.706 0.925 0.774 0.942 0.739 CB 2.288 70 residues pruned to eliminate duplicates Z: 69 111.977 2.701 0.831 0.777 0.956 0.735 C 2.250 69 residues pruned to eliminate duplicates Z: 76 108.763 2.632 0.868 0.738 0.947 0.720 CB 2.180 76 residues pruned to eliminate duplicates Z: 63 104.072 2.582 0.886 0.796 0.968 0.677 C 2.165 63 residues pruned to eliminate duplicates Z: 27 70.318 2.640 0.985 0.705 1.000 0.731 C 2.183 27 residues pruned to eliminate duplicates Z: 68 122.498 2.694 0.978 0.790 0.970 0.701 C 2.244 68 residues pruned to eliminate duplicates Z: 61 113.361 2.643 0.977 0.811 0.967 0.700 C 2.209 61 residues pruned to eliminate duplicates Z: 84 127.363 2.660 1.046 0.740 0.940 0.675 C 2.204 84 residues pruned to eliminate duplicates Z: 71 118.956 2.676 0.976 0.757 0.957 0.714 C 2.234 71 residues pruned to eliminate duplicates Z: 127 128.403 2.579 0.833 0.682 0.960 0.683 CB 2.132 127 residues pruned to eliminate duplicates Z: 68 129.394 2.745 0.968 0.798 0.985 0.746 C 2.288 68 residues pruned to eliminate duplicates Z: 72 117.061 2.651 0.904 0.773 0.972 0.718 C 2.224 72 residues pruned to eliminate duplicates Z: 72 124.968 2.671 0.983 0.763 1.000 0.676 C 2.217 72 residues pruned to eliminate duplicates Z: 38 68.578 2.572 0.719 0.813 0.919 0.730 C 2.113 38 residues pruned to eliminate duplicates Z: 69 113.373 2.674 0.940 0.768 0.941 0.647 C 2.221 69 residues pruned to eliminate duplicates Z: 60 107.024 2.662 0.841 0.807 0.983 0.729 C 2.212 60 residues pruned to eliminate duplicates Z: 85 128.112 2.672 0.967 0.767 0.952 0.679 C 2.204 85 residues pruned to eliminate duplicates Z: 52 82.108 2.577 0.785 0.721 0.961 0.725 C 2.131 52 residues pruned to eliminate duplicates Z: 71 122.413 2.688 0.930 0.767 0.986 0.771 C 2.258 71 residues pruned to eliminate duplicates Z: 38 71.404 2.542 0.776 0.839 0.946 0.757 C 2.052 38 residues pruned to eliminate duplicates Z: 69 123.445 2.683 1.044 0.768 0.956 0.676 C 2.253 69 residues pruned to eliminate duplicates Z: 86 130.284 2.662 1.030 0.753 0.941 0.718 C 2.217 86 residues pruned to eliminate duplicates Z: 64 110.242 2.644 0.986 0.757 0.952 0.698 C 2.209 64 residues pruned to eliminate duplicates Z: 71 112.836 2.662 0.958 0.766 0.929 0.729 C 2.202 71 residues pruned to eliminate duplicates Z: 60 92.785 2.609 0.772 0.793 0.898 0.729 CB 2.248 60 residues pruned to eliminate duplicates Z: 71 115.954 2.655 1.003 0.742 0.957 0.771 C 2.191 71 residues pruned to eliminate duplicates Z: 58 110.846 2.714 0.899 0.850 0.930 0.719 C 2.268 58 residues pruned to eliminate duplicates Z: 49 83.607 2.588 0.862 0.740 0.938 0.771 C 2.154 49 residues pruned to eliminate duplicates Z: 71 118.429 2.666 0.944 0.747 0.986 0.743 C 2.222 71 residues pruned to eliminate duplicates Z: 70 121.187 2.705 0.962 0.774 0.957 0.725 C 2.255 70 residues pruned to eliminate duplicates Z: 38 76.979 2.540 0.843 0.824 0.973 0.784 C 2.098 38 residues pruned to eliminate duplicates Z: 70 122.421 2.719 0.882 0.784 0.986 0.797 C 2.277 70 residues pruned to eliminate duplicates Z: 88 129.043 2.649 1.049 0.747 0.931 0.713 CB 2.195 88 residues pruned to eliminate duplicates Z: 50 80.319 2.546 0.875 0.704 0.939 0.776 CB 2.126 50 residues pruned to eliminate duplicates Z: 61 111.801 2.641 0.986 0.794 0.950 0.700 C 2.238 61 residues pruned to eliminate duplicates Z: 89 127.059 2.640 0.992 0.731 0.966 0.693 CB 2.166 89 residues pruned to eliminate duplicates Z: 60 117.390 2.654 1.002 0.807 0.983 0.712 C 2.239 60 residues pruned to eliminate duplicates Z: 38 72.066 2.563 0.716 0.808 0.946 0.730 C 2.177 38 residues pruned to eliminate duplicates Z: 59 115.698 2.727 0.844 0.819 1.000 0.759 C 2.291 59 residues pruned to eliminate duplicates Z: 60 116.840 2.644 1.017 0.812 0.983 0.763 C 2.211 60 residues pruned to eliminate duplicates Z: 84 131.813 2.660 1.017 0.764 0.976 0.614 CB 2.187 84 residues pruned to eliminate duplicates Z: 71 111.618 2.663 0.923 0.750 0.943 0.743 C 2.211 71 residues pruned to eliminate duplicates Z: 65 93.173 2.563 0.899 0.730 0.922 0.719 C 2.110 65 residues pruned to eliminate duplicates Z: 71 114.857 2.661 0.955 0.758 0.943 0.629 CB 2.224 71 residues pruned to eliminate duplicates Z: 71 121.220 2.647 0.989 0.762 0.986 0.671 C 2.212 71 residues pruned to eliminate duplicates Z: 78 102.790 2.593 0.860 0.687 0.948 0.688 CB 2.157 78 residues pruned to eliminate duplicates Z: 47 83.127 2.618 0.850 0.729 0.957 0.739 C 2.154 47 residues pruned to eliminate duplicates Z: 15 25.366 2.176 1.004 0.457 1.000 0.571 CB 1.624 15 residues pruned to eliminate duplicates Z: 192 164.406 2.602 0.947 0.682 0.937 0.675 CB 2.120 194 residues pruned to eliminate duplicates Z: 7 13.432 2.061 0.628 0.525 1.000 0.667 C 1.595 7 residues pruned to eliminate duplicates Z: 98 138.610 2.697 0.926 0.744 0.979 0.701 CB 2.224 98 residues pruned to eliminate duplicates Z: 70 124.232 2.692 1.031 0.783 0.957 0.768 C 2.229 70 residues pruned to eliminate duplicates Z: 73 112.486 2.607 0.925 0.743 0.972 0.750 C 2.186 73 residues pruned to eliminate duplicates Z: 71 114.221 2.666 0.962 0.754 0.943 0.729 C 2.207 71 residues pruned to eliminate duplicates Z: 91 118.166 2.604 0.961 0.720 0.944 0.678 CB 2.117 91 residues pruned to eliminate duplicates Z: 13 45.994 2.671 1.056 0.829 0.917 0.833 CB 1.985 13 residues pruned to eliminate duplicates Z: 89 119.081 2.648 0.915 0.739 0.943 0.727 CB 2.143 89 residues pruned to eliminate duplicates Z: 34 46.741 2.503 0.906 0.518 0.848 0.545 CB 1.976 34 residues pruned to eliminate duplicates Z: 15 38.853 2.457 1.256 0.675 0.929 0.571 CB 1.717 15 residues pruned to eliminate duplicates Z: 62 107.461 2.633 0.903 0.782 0.984 0.754 CB 2.178 62 residues pruned to eliminate duplicates Z: 18 37.936 2.382 1.113 0.640 0.882 0.471 CB 1.818 18 residues pruned to eliminate duplicates Z: 98 136.715 2.699 0.934 0.733 0.948 0.732 CB 2.274 98 residues pruned to eliminate duplicates Z: 21 39.083 2.322 0.931 0.689 0.950 0.550 CB 1.725 21 residues pruned to eliminate duplicates Z: 19 32.067 2.311 0.994 0.644 0.833 0.444 CB 1.721 19 residues pruned to eliminate duplicates Z: 28 54.473 2.514 1.123 0.579 0.926 0.630 CB 1.966 28 residues pruned to eliminate duplicates Z: 21 38.325 2.404 1.048 0.711 0.800 0.600 CB 1.797 21 residues pruned to eliminate duplicates Z: 33 66.252 2.709 1.008 0.615 0.875 0.688 CB 2.208 33 residues pruned to eliminate duplicates Z: 24 37.772 2.339 0.806 0.659 0.826 0.565 CB 1.948 24 residues pruned to eliminate duplicates Z: 104 131.163 2.635 0.897 0.739 0.951 0.718 CB 2.193 104 residues pruned to eliminate duplicates Z: 21 45.340 2.512 0.987 0.747 0.900 0.650 CB 1.809 21 residues pruned to eliminate duplicates Z: 80 84.593 2.523 0.711 0.632 0.924 0.671 CB 2.109 80 residues pruned to eliminate duplicates Z: 37 61.395 2.569 1.000 0.593 0.889 0.583 CB 2.050 37 residues pruned to eliminate duplicates Z: 36 61.751 2.522 0.831 0.614 0.971 0.571 C 2.089 36 residues pruned to eliminate duplicates Z: 22 37.866 2.502 0.613 0.514 0.952 0.476 C 2.120 22 residues pruned to eliminate duplicates Z: 20 40.649 2.567 0.538 0.567 1.000 0.579 CA 2.215 20 residues pruned to eliminate duplicates Z: 35 62.765 2.625 0.907 0.611 0.941 0.588 CB 2.057 35 residues pruned to eliminate duplicates Z: 20 40.018 2.536 0.887 0.525 0.895 0.579 C 2.091 20 residues pruned to eliminate duplicates Z: 20 50.593 2.690 0.748 0.607 1.000 0.579 C 2.229 20 residues pruned to eliminate duplicates Z: 35 66.422 2.600 0.953 0.642 0.971 0.559 CB 2.024 35 residues pruned to eliminate duplicates Z: 33 65.351 2.636 0.888 0.660 0.969 0.656 CB 2.065 33 residues pruned to eliminate duplicates Z: 18 30.382 2.505 0.602 0.446 0.941 0.529 C 2.063 18 residues pruned to eliminate duplicates Z: 36 58.003 2.535 0.916 0.630 0.914 0.600 CB 1.953 36 residues pruned to eliminate duplicates Z: 36 63.966 2.596 0.993 0.652 0.943 0.571 CB 1.923 36 residues pruned to eliminate duplicates Z: 20 40.929 2.467 0.892 0.551 0.947 0.632 C 2.021 20 residues pruned to eliminate duplicates Z: 18 35.071 2.564 0.648 0.478 0.941 0.706 CB 2.187 18 residues pruned to eliminate duplicates Z: 102 140.395 2.687 0.943 0.747 0.970 0.703 CB 2.211 102 residues pruned to eliminate duplicates Z: 35 58.723 2.540 0.921 0.648 0.941 0.647 CB 1.911 35 residues pruned to eliminate duplicates Z: 127 107.010 2.499 0.918 0.602 0.929 0.556 CB 1.945 127 residues pruned to eliminate duplicates Z: 120 141.268 2.670 0.932 0.683 0.975 0.681 CB 2.177 120 residues pruned to eliminate duplicates Z: 17 42.980 2.539 0.896 0.555 1.000 0.812 CB 2.115 17 residues pruned to eliminate duplicates Z: 14 18.714 2.258 0.528 0.448 0.923 0.462 C 1.720 14 residues pruned to eliminate duplicates Z: 92 103.066 2.517 0.958 0.645 0.945 0.670 CB 2.027 92 residues pruned to eliminate duplicates Z: 6 12.214 2.227 0.456 0.455 1.000 0.400 CA 1.764 6 residues pruned to eliminate duplicates Z: 18 40.845 2.428 0.894 0.580 1.000 0.706 CB 1.994 18 residues pruned to eliminate duplicates Z: 19 37.724 2.437 0.901 0.572 0.889 0.611 CB 2.014 19 residues pruned to eliminate duplicates Z: 18 43.673 2.475 0.781 0.611 1.000 0.706 CA 2.163 18 residues pruned to eliminate duplicates Z: 95 94.750 2.445 0.900 0.634 0.936 0.660 CB 1.982 95 residues pruned to eliminate duplicates Z: 19 39.529 2.506 0.797 0.547 1.000 0.778 CB 1.976 19 residues pruned to eliminate duplicates Z: 92 84.666 2.431 0.913 0.586 0.912 0.604 CB 1.926 92 residues pruned to eliminate duplicates Z: 92 99.517 2.543 0.916 0.627 0.934 0.615 CB 2.035 92 residues pruned to eliminate duplicates Z: 37 63.977 2.618 0.853 0.639 0.972 0.694 CB 1.985 37 residues pruned to eliminate duplicates Z: 137 144.865 2.609 0.933 0.700 0.963 0.699 CB 2.129 137 residues pruned to eliminate duplicates Z: 28 47.742 2.417 0.840 0.631 0.963 0.667 CB 1.896 28 residues pruned to eliminate duplicates Z: 43 55.889 2.435 0.820 0.565 0.952 0.619 CB 1.918 43 residues pruned to eliminate duplicates Z: 38 60.599 2.559 0.710 0.667 0.973 0.703 CB 2.006 38 residues pruned to eliminate duplicates Z: 89 88.684 2.484 0.868 0.584 0.955 0.682 CB 1.969 89 residues pruned to eliminate duplicates Z: 38 65.178 2.471 0.886 0.677 1.000 0.649 CB 1.954 38 residues pruned to eliminate duplicates Z: 123 113.767 2.522 0.955 0.618 0.918 0.664 CB 2.035 123 residues pruned to eliminate duplicates Z: 29 52.522 2.534 1.019 0.625 0.893 0.679 CB 1.932 29 residues pruned to eliminate duplicates Z: 81 93.649 2.500 0.988 0.625 0.938 0.613 CB 1.997 81 residues pruned to eliminate duplicates Z: 73 91.768 2.539 0.975 0.651 0.917 0.639 CB 2.044 73 residues pruned to eliminate duplicates Z: 73 97.700 2.560 0.919 0.653 0.986 0.597 CB 2.062 73 residues pruned to eliminate duplicates Z: 92 101.301 2.502 0.991 0.619 0.956 0.626 CB 1.993 92 residues pruned to eliminate duplicates Z: 50 51.200 2.316 0.694 0.577 0.980 0.592 CB 1.768 50 residues pruned to eliminate duplicates Z: 92 104.802 2.498 0.981 0.633 0.956 0.582 CB 2.048 92 residues pruned to eliminate duplicates Z: 36 61.674 2.556 0.866 0.603 0.971 0.657 CB 2.039 36 residues pruned to eliminate duplicates Z: 92 108.275 2.537 1.039 0.656 0.934 0.604 CB 2.031 92 residues pruned to eliminate duplicates Z: 18 52.604 2.489 0.779 0.875 1.000 0.588 CB 2.096 18 residues pruned to eliminate duplicates Z: 93 92.653 2.477 0.891 0.615 0.935 0.587 CB 1.978 93 residues pruned to eliminate duplicates Z: 50 72.497 2.484 0.999 0.606 0.980 0.531 CB 1.925 50 residues pruned to eliminate duplicates Z: 92 100.717 2.509 1.025 0.651 0.901 0.637 CB 2.003 92 residues pruned to eliminate duplicates Z: 92 101.177 2.520 0.954 0.630 0.934 0.670 CB 2.040 92 residues pruned to eliminate duplicates Z: 76 90.129 2.526 0.948 0.598 0.947 0.600 CB 2.034 76 residues pruned to eliminate duplicates Z: 91 100.785 2.517 0.913 0.614 0.956 0.656 CB 2.072 91 residues pruned to eliminate duplicates Z: 71 81.163 2.455 0.923 0.609 0.929 0.629 CB 1.996 71 residues pruned to eliminate duplicates Z: 85 93.518 2.557 0.920 0.622 0.917 0.690 CB 2.021 85 residues pruned to eliminate duplicates Z: 80 87.246 2.462 1.037 0.637 0.899 0.595 CB 1.916 80 residues pruned to eliminate duplicates Z: 37 65.792 2.518 0.985 0.622 0.972 0.639 C 2.011 37 residues pruned to eliminate duplicates Z: 13 25.252 2.469 0.703 0.453 0.917 0.500 CB 1.985 13 residues pruned to eliminate duplicates Z: 71 91.818 2.579 0.923 0.616 0.971 0.643 CB 2.041 71 residues pruned to eliminate duplicates Z: 95 100.639 2.488 0.939 0.633 0.947 0.670 CB 2.007 94 residues pruned to eliminate duplicates Z: 6 14.488 2.225 0.261 0.839 1.000 0.400 C 1.725 6 residues pruned to eliminate duplicates Z: 59 74.421 2.428 1.038 0.602 0.914 0.534 C 1.962 59 residues pruned to eliminate duplicates Z: 9 11.834 1.903 0.466 0.584 0.875 0.750 CB 1.580 9 residues pruned to eliminate duplicates Z: 91 99.879 2.532 0.951 0.626 0.944 0.600 CB 2.004 91 residues pruned to eliminate duplicates Z: 72 87.329 2.547 0.873 0.628 0.930 0.634 CB 2.071 72 residues pruned to eliminate duplicates Z: 53 73.625 2.501 0.999 0.641 0.885 0.519 C 2.024 53 residues pruned to eliminate duplicates Z: 92 96.043 2.510 0.943 0.612 0.912 0.593 CB 2.034 92 residues pruned to eliminate duplicates Z: 25 49.030 2.506 0.838 0.668 0.917 0.667 CB 2.029 25 residues pruned to eliminate duplicates Z: 53 65.285 2.424 0.867 0.626 0.904 0.596 CB 1.965 55 residues pruned to eliminate duplicates Z: 11 19.945 2.099 0.758 0.652 0.900 0.800 CB 1.650 11 residues pruned to eliminate duplicates Z: 26 53.103 2.463 0.876 0.708 0.960 0.480 C 1.982 26 residues pruned to eliminate duplicates Z: 71 94.810 2.515 1.060 0.660 0.943 0.614 CB 2.000 71 residues pruned to eliminate duplicates Z: 40 77.768 2.532 1.084 0.698 0.949 0.667 C 2.076 40 residues pruned to eliminate duplicates Z: 89 99.393 2.540 0.912 0.622 0.955 0.636 CB 2.038 89 residues pruned to eliminate duplicates Z: 42 54.940 2.387 0.876 0.565 0.927 0.683 CB 1.941 42 residues pruned to eliminate duplicates Z: 45 64.189 2.467 0.979 0.654 0.864 0.614 C 1.988 45 residues pruned to eliminate duplicates Z: 54 68.999 2.489 0.907 0.603 0.887 0.623 C 2.041 54 residues pruned to eliminate duplicates Z: 54 66.279 2.453 0.817 0.608 0.906 0.660 CB 2.035 54 residues pruned to eliminate duplicates Z: 92 92.238 2.465 0.900 0.632 0.923 0.604 CB 1.975 92 residues pruned to eliminate duplicates Z: 42 46.042 2.383 0.675 0.563 0.902 0.707 CB 1.878 42 residues pruned to eliminate duplicates Z: 23 44.736 2.433 0.767 0.654 0.955 0.545 CB 2.014 23 residues pruned to eliminate duplicates Z: 93 76.951 2.397 0.762 0.584 0.935 0.630 CB 1.875 93 residues pruned to eliminate duplicates Z: 25 44.742 2.486 0.645 0.688 0.958 0.667 CB 1.962 25 residues pruned to eliminate duplicates Z: 52 54.367 2.391 0.664 0.576 0.922 0.608 CB 1.930 50 residues pruned to eliminate duplicates Z: 20 54.934 2.563 0.780 0.830 1.000 0.632 CB 2.077 20 residues pruned to eliminate duplicates Z: 65 86.421 2.517 0.987 0.646 0.938 0.672 CB 2.011 65 residues pruned to eliminate duplicates Z: 45 58.488 2.401 0.775 0.655 0.909 0.568 C 1.970 45 residues pruned to eliminate duplicates Z: 54 69.300 2.454 0.943 0.619 0.906 0.623 CB 1.970 55 residues pruned to eliminate duplicates Z: 13 37.885 2.317 1.090 0.897 0.833 0.250 C 1.939 13 residues pruned to eliminate duplicates Z: 80 92.911 2.480 0.931 0.627 0.962 0.544 CB 2.013 80 residues pruned to eliminate duplicates Z: 44 63.113 2.460 0.908 0.614 0.930 0.581 C 1.977 44 residues pruned to eliminate duplicates Z: 21 43.569 2.341 1.005 0.581 1.000 0.700 C 1.921 21 residues pruned to eliminate duplicates Z: 53 69.381 2.482 0.822 0.617 0.962 0.673 CB 1.980 53 residues pruned to eliminate duplicates Z: 30 74.003 2.435 1.151 0.914 0.966 0.759 C 1.922 30 residues pruned to eliminate duplicates Z: 95 104.675 2.500 0.896 0.631 0.989 0.670 CB 2.036 95 residues pruned to eliminate duplicates Z: 94 93.259 2.511 0.838 0.617 0.935 0.645 CB 2.006 94 residues pruned to eliminate duplicates Z: 29 68.198 2.499 0.823 0.896 0.964 0.786 CB 2.103 29 residues pruned to eliminate duplicates Z: 91 95.654 2.487 0.927 0.633 0.933 0.722 CB 1.990 91 residues pruned to eliminate duplicates Z: 20 44.325 2.460 1.016 0.579 0.947 0.789 C 2.006 20 residues pruned to eliminate duplicates Z: 21 38.011 2.371 0.737 0.618 0.950 0.700 CB 1.943 21 residues pruned to eliminate duplicates Z: 21 38.136 2.325 0.847 0.561 1.000 0.650 C 1.872 21 residues pruned to eliminate duplicates Z: 21 37.213 2.347 0.823 0.581 0.950 0.750 CB 1.894 21 residues pruned to eliminate duplicates Z: 22 36.668 2.295 0.875 0.571 0.952 0.619 C 1.822 22 residues pruned to eliminate duplicates Z: 22 41.253 2.307 0.846 0.607 1.000 0.714 CB 1.909 22 residues pruned to eliminate duplicates Z: 23 30.469 2.135 0.792 0.534 1.000 0.773 CB 1.642 23 residues pruned to eliminate duplicates Z: 22 33.964 2.295 0.834 0.540 0.905 0.714 C 1.872 22 residues pruned to eliminate duplicates 325 residues left after pruning, divided into chains as follows: A: 4 B: 321 CC for partial structure against native data = 36.94 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.421, Connect. = 0.770 for dens.mod. cycle 1 = 0.300, Contrast = 0.484, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.577, Connect. = 0.825 for dens.mod. cycle 3 = 0.300, Contrast = 0.593, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 0.608, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.619, Connect. = 0.836 for dens.mod. cycle 6 = 0.300, Contrast = 0.630, Connect. = 0.838 for dens.mod. cycle 7 = 0.300, Contrast = 0.638, Connect. = 0.839 for dens.mod. cycle 8 = 0.300, Contrast = 0.644, Connect. = 0.840 for dens.mod. cycle 9 = 0.300, Contrast = 0.650, Connect. = 0.841 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2423 peaks > 0.5 sigma used to seed fragment search Space for about 377 unique residues taking solvent into account 449 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 75.924 2.755 0.823 0.926 1.000 0.900 C 2.370 B: 22 74.381 2.643 0.941 0.906 1.000 0.762 C 2.251 21 residues pruned to eliminate duplicates C: 31 78.349 2.462 0.968 0.925 1.000 0.833 C 2.073 D: 20 76.138 2.862 0.876 0.919 0.947 0.842 C 2.419 20 residues pruned to eliminate duplicates E: 10 23.478 2.228 0.441 0.882 1.000 0.889 C 1.764 F: 30 77.272 2.517 0.858 0.928 1.000 0.931 C 2.149 30 residues pruned to eliminate duplicates G: 30 72.963 2.596 0.881 0.880 0.966 0.655 CB 2.082 H: 10 27.483 2.317 0.410 0.895 1.000 1.000 C 2.010 10 residues pruned to eliminate duplicates I: 20 86.767 2.902 0.950 0.943 1.000 0.842 C 2.437 22 residues pruned to eliminate duplicates J: 20 85.261 2.880 0.950 0.935 1.000 0.842 C 2.427 20 residues pruned to eliminate duplicates K: 10 23.669 2.264 0.467 0.893 0.889 0.889 C 1.918 10 residues pruned to eliminate duplicates L: 18 49.323 2.532 0.635 0.887 1.000 0.765 CB 2.083 M: 31 75.533 2.436 0.889 0.935 1.000 0.900 C 2.089 31 residues pruned to eliminate duplicates N: 21 77.324 2.770 0.924 0.893 1.000 0.900 CB 2.328 21 residues pruned to eliminate duplicates O: 18 49.935 2.540 0.616 0.892 1.000 0.706 CB 2.120 18 residues pruned to eliminate duplicates P: 30 75.649 2.499 0.903 0.942 1.000 0.897 C 2.049 30 residues pruned to eliminate duplicates Q: 17 55.392 2.602 0.751 0.900 1.000 0.812 CB 2.172 18 residues pruned to eliminate duplicates R: 20 88.285 2.920 0.969 0.924 1.000 0.789 C 2.474 20 residues pruned to eliminate duplicates S: 19 51.121 2.628 0.668 0.873 1.000 0.889 CB 2.001 19 residues pruned to eliminate duplicates T: 21 84.196 2.771 1.023 0.942 1.000 0.900 CB 2.329 21 residues pruned to eliminate duplicates U: 22 87.976 2.697 1.167 0.930 1.000 0.905 C 2.297 21 residues pruned to eliminate duplicates V: 30 77.625 2.500 0.924 0.934 1.000 0.897 C 2.089 30 residues pruned to eliminate duplicates W: 22 74.479 2.662 0.892 0.930 1.000 0.905 C 2.257 22 residues pruned to eliminate duplicates X: 10 17.782 2.322 0.186 0.876 0.889 0.667 CB 1.760 10 residues pruned to eliminate duplicates Y: 22 85.032 2.635 1.161 0.928 1.000 0.857 C 2.282 22 residues pruned to eliminate duplicates Z: 17 51.091 2.606 0.595 0.892 1.000 0.812 CB 2.208 17 residues pruned to eliminate duplicates Z: 19 40.291 2.336 0.502 0.891 1.000 0.667 C 1.945 Z: 21 81.148 2.736 1.025 0.936 1.000 0.850 CB 2.280 21 residues pruned to eliminate duplicates Z: 22 76.270 2.640 0.945 0.925 1.000 0.714 C 2.275 22 residues pruned to eliminate duplicates Z: 22 64.240 2.636 0.808 0.882 0.952 0.857 C 2.235 22 residues pruned to eliminate duplicates Z: 31 73.861 2.416 0.937 0.916 1.000 0.800 C 2.036 31 residues pruned to eliminate duplicates Z: 31 72.502 2.415 0.898 0.929 1.000 0.867 C 2.021 31 residues pruned to eliminate duplicates Z: 18 42.313 2.437 0.560 0.849 0.941 0.647 C 2.127 18 residues pruned to eliminate duplicates Z: 7 14.088 2.286 0.434 0.697 0.833 0.833 C 1.760 7 residues pruned to eliminate duplicates Z: 17 35.092 2.339 0.795 0.823 0.875 0.500 CB 1.805 17 residues pruned to eliminate duplicates Z: 38 73.226 2.593 0.676 0.859 0.946 0.730 C 2.154 Z: 20 87.588 2.812 1.093 0.919 1.000 0.789 C 2.406 20 residues pruned to eliminate duplicates Z: 36 74.871 2.494 0.791 0.890 0.971 0.800 C 2.098 36 residues pruned to eliminate duplicates Z: 12 39.186 2.477 0.681 0.895 1.000 0.818 CB 2.034 12 residues pruned to eliminate duplicates Z: 18 51.721 2.457 0.910 0.862 0.941 0.647 C 2.085 18 residues pruned to eliminate duplicates Z: 29 88.909 2.551 1.072 0.948 1.000 0.679 C 2.194 31 residues pruned to eliminate duplicates Z: 36 80.237 2.651 0.757 0.879 0.971 0.857 C 2.175 38 residues pruned to eliminate duplicates Z: 14 47.748 2.512 0.869 0.888 1.000 0.846 CB 2.032 Z: 10 29.303 2.371 0.522 0.895 1.000 0.889 CB 1.939 10 residues pruned to eliminate duplicates Z: 17 48.829 2.572 0.776 0.842 0.938 0.688 CB 2.123 17 residues pruned to eliminate duplicates Z: 38 84.000 2.636 0.724 0.879 1.000 0.784 C 2.204 36 residues pruned to eliminate duplicates Z: 37 88.898 2.612 0.846 0.892 1.000 0.778 C 2.207 37 residues pruned to eliminate duplicates Z: 17 41.343 2.448 0.483 0.915 1.000 0.812 CB 2.011 17 residues pruned to eliminate duplicates Z: 30 53.248 2.443 0.525 0.893 0.966 0.862 CB 1.974 30 residues pruned to eliminate duplicates Z: 20 79.813 2.767 0.942 0.939 1.000 0.842 C 2.367 20 residues pruned to eliminate duplicates Z: 18 45.962 2.479 0.578 0.906 1.000 0.765 CB 2.027 18 residues pruned to eliminate duplicates Z: 10 16.676 2.082 0.359 0.735 1.000 0.667 CB 1.591 Z: 36 70.817 2.554 0.741 0.885 0.886 0.800 C 2.193 36 residues pruned to eliminate duplicates Z: 16 53.330 2.686 0.758 0.910 0.933 0.933 CB 2.215 16 residues pruned to eliminate duplicates Z: 17 58.825 2.583 0.938 0.863 1.000 0.688 CB 2.155 17 residues pruned to eliminate duplicates Z: 15 41.367 2.315 0.709 0.892 1.000 0.857 C 2.008 Z: 17 42.350 2.484 0.529 0.913 1.000 0.812 CB 1.973 17 residues pruned to eliminate duplicates Z: 21 72.611 2.748 0.930 0.915 0.950 0.850 C 2.277 21 residues pruned to eliminate duplicates Z: 31 78.216 2.430 1.022 0.930 1.000 0.833 C 2.032 31 residues pruned to eliminate duplicates Z: 31 67.936 2.436 0.740 0.920 1.000 0.800 C 2.061 30 residues pruned to eliminate duplicates Z: 30 72.517 2.523 0.742 0.931 1.000 0.931 C 2.141 30 residues pruned to eliminate duplicates Z: 9 16.268 2.151 0.130 0.831 1.000 0.625 CA 1.778 10 residues pruned to eliminate duplicates Z: 17 43.592 2.513 0.456 0.914 1.000 0.875 CB 2.107 17 residues pruned to eliminate duplicates Z: 30 85.163 2.497 1.128 0.932 1.000 0.828 C 2.078 30 residues pruned to eliminate duplicates Z: 19 47.918 2.487 0.730 0.846 0.944 0.778 CB 2.064 18 residues pruned to eliminate duplicates Z: 15 43.361 2.355 0.768 0.919 1.000 1.000 CB 1.962 15 residues pruned to eliminate duplicates Z: 29 71.816 2.523 0.798 0.911 1.000 0.786 CB 2.121 29 residues pruned to eliminate duplicates Z: 18 52.658 2.597 0.876 0.836 0.941 0.706 CB 2.084 19 residues pruned to eliminate duplicates Z: 21 40.317 2.312 0.733 0.817 0.900 0.650 CB 1.898 21 residues pruned to eliminate duplicates Z: 36 86.537 2.620 0.840 0.884 1.000 0.829 C 2.192 36 residues pruned to eliminate duplicates Z: 9 12.815 1.966 0.407 0.716 0.875 0.375 CB 1.539 9 residues pruned to eliminate duplicates Z: 14 43.049 2.487 1.007 0.849 1.000 0.769 CB 1.773 15 residues pruned to eliminate duplicates Z: 30 72.591 2.488 0.753 0.945 1.000 0.897 C 2.139 30 residues pruned to eliminate duplicates Z: 30 60.709 2.583 0.640 0.887 0.931 0.724 CB 2.060 30 residues pruned to eliminate duplicates Z: 13 35.792 2.312 0.834 0.924 0.917 0.750 C 1.867 13 residues pruned to eliminate duplicates Z: 16 36.058 2.462 0.379 0.900 1.000 0.733 CB 1.958 16 residues pruned to eliminate duplicates Z: 9 30.972 2.481 0.764 0.869 0.875 0.875 C 2.089 10 residues pruned to eliminate duplicates Z: 14 42.962 2.430 1.118 0.838 1.000 0.923 CB 1.730 14 residues pruned to eliminate duplicates Z: 13 24.672 2.253 0.238 0.921 1.000 0.750 CB 1.797 13 residues pruned to eliminate duplicates Z: 16 36.873 2.571 0.254 0.896 1.000 0.867 CB 2.114 16 residues pruned to eliminate duplicates Z: 29 59.895 2.489 0.830 0.881 0.893 0.643 CB 2.015 29 residues pruned to eliminate duplicates Z: 10 20.977 2.210 0.571 0.826 0.889 0.778 CB 1.710 10 residues pruned to eliminate duplicates Z: 70 113.560 2.645 0.892 0.786 0.971 0.754 C 2.189 61 residues pruned to eliminate duplicates Z: 20 75.184 2.849 0.765 0.925 1.000 0.789 C 2.408 20 residues pruned to eliminate duplicates Z: 30 79.093 2.510 0.920 0.938 1.000 0.931 C 2.119 30 residues pruned to eliminate duplicates Z: 22 77.047 2.634 0.956 0.928 1.000 0.810 C 2.284 22 residues pruned to eliminate duplicates Z: 22 79.401 2.668 1.059 0.908 1.000 0.810 C 2.240 22 residues pruned to eliminate duplicates Z: 19 43.849 2.348 0.630 0.897 1.000 0.667 CB 1.934 19 residues pruned to eliminate duplicates Z: 27 60.954 2.524 0.770 0.874 0.962 0.731 C 2.026 27 residues pruned to eliminate duplicates Z: 8 17.062 2.205 0.380 0.810 1.000 0.857 CB 1.618 Z: 18 42.622 2.396 0.520 0.904 1.000 0.765 C 2.023 18 residues pruned to eliminate duplicates Z: 31 76.632 2.423 0.984 0.931 1.000 0.900 C 2.035 31 residues pruned to eliminate duplicates Z: 25 57.940 2.456 0.624 0.914 1.000 0.875 C 2.096 25 residues pruned to eliminate duplicates Z: 15 39.296 2.365 0.511 0.919 1.000 0.929 CB 2.070 15 residues pruned to eliminate duplicates Z: 16 40.896 2.457 0.579 0.911 1.000 0.800 CB 1.928 18 residues pruned to eliminate duplicates Z: 70 120.191 2.691 0.913 0.776 0.986 0.725 C 2.235 69 residues pruned to eliminate duplicates Z: 13 46.329 2.499 0.930 0.881 1.000 0.917 C 2.009 13 residues pruned to eliminate duplicates Z: 73 85.700 2.517 0.843 0.636 0.931 0.653 CB 2.059 36 residues pruned to eliminate duplicates Z: 18 46.623 2.618 0.500 0.870 1.000 0.765 CB 2.100 18 residues pruned to eliminate duplicates Z: 28 69.892 2.581 0.712 0.900 1.000 0.852 C 2.175 28 residues pruned to eliminate duplicates Z: 34 77.091 2.598 0.647 0.925 1.000 0.818 C 2.200 34 residues pruned to eliminate duplicates Z: 33 64.994 2.494 0.621 0.873 0.969 0.656 CB 2.137 33 residues pruned to eliminate duplicates Z: 18 65.353 2.505 1.088 0.914 1.000 0.882 C 2.142 18 residues pruned to eliminate duplicates Z: 26 54.485 2.419 0.621 0.926 1.000 0.880 C 1.948 26 residues pruned to eliminate duplicates Z: 21 82.922 2.740 1.046 0.926 1.000 0.850 C 2.319 21 residues pruned to eliminate duplicates Z: 21 44.859 2.464 0.619 0.774 0.950 0.700 CB 2.078 21 residues pruned to eliminate duplicates Z: 29 67.422 2.476 0.939 0.897 0.964 0.643 CB 1.971 29 residues pruned to eliminate duplicates Z: 30 64.538 2.581 0.729 0.879 0.931 0.793 CB 2.092 30 residues pruned to eliminate duplicates Z: 18 34.568 2.316 0.561 0.898 1.000 0.824 CB 1.660 18 residues pruned to eliminate duplicates Z: 36 82.423 2.641 0.745 0.916 0.971 0.771 C 2.197 36 residues pruned to eliminate duplicates Z: 38 70.987 2.541 0.593 0.879 0.973 0.757 C 2.149 38 residues pruned to eliminate duplicates Z: 19 48.710 2.500 0.768 0.893 0.944 0.722 CB 1.975 19 residues pruned to eliminate duplicates Z: 37 78.040 2.569 0.785 0.878 0.944 0.778 C 2.178 37 residues pruned to eliminate duplicates Z: 22 72.559 2.617 0.891 0.923 1.000 0.905 C 2.248 22 residues pruned to eliminate duplicates Z: 29 64.605 2.543 0.857 0.907 0.929 0.821 CB 1.979 29 residues pruned to eliminate duplicates Z: 13 31.926 2.318 0.637 0.910 0.917 0.833 C 1.879 13 residues pruned to eliminate duplicates Z: 83 134.339 2.692 0.999 0.782 0.976 0.707 CB 2.205 83 residues pruned to eliminate duplicates Z: 31 65.848 2.438 0.787 0.920 0.933 0.800 C 2.082 31 residues pruned to eliminate duplicates Z: 10 26.918 2.380 0.675 0.856 0.889 0.778 CB 1.869 10 residues pruned to eliminate duplicates Z: 8 14.626 2.047 0.251 0.878 1.000 0.857 CA 1.566 8 residues pruned to eliminate duplicates Z: 29 58.130 2.517 0.583 0.917 1.000 0.857 CB 1.946 29 residues pruned to eliminate duplicates Z: 34 84.049 2.622 0.858 0.922 0.970 0.818 C 2.179 34 residues pruned to eliminate duplicates Z: 18 53.275 2.494 0.821 0.888 1.000 0.765 C 2.050 18 residues pruned to eliminate duplicates Z: 31 67.897 2.445 0.699 0.943 1.000 0.967 C 2.068 30 residues pruned to eliminate duplicates Z: 36 67.780 2.549 0.566 0.897 0.943 0.829 C 2.180 36 residues pruned to eliminate duplicates Z: 35 77.274 2.551 0.656 0.931 1.000 0.912 C 2.192 35 residues pruned to eliminate duplicates Z: 37 82.909 2.665 0.684 0.890 1.000 0.889 C 2.215 37 residues pruned to eliminate duplicates Z: 28 77.084 2.562 0.996 0.899 1.000 0.778 C 2.074 28 residues pruned to eliminate duplicates Z: 38 88.261 2.602 0.911 0.878 0.973 0.757 C 2.177 38 residues pruned to eliminate duplicates Z: 15 38.862 2.342 0.637 0.906 1.000 0.857 CB 1.926 15 residues pruned to eliminate duplicates Z: 14 41.967 2.394 1.003 0.885 1.000 0.846 CB 1.753 14 residues pruned to eliminate duplicates Z: 39 66.503 2.512 0.644 0.852 0.921 0.711 C 2.098 39 residues pruned to eliminate duplicates Z: 30 84.821 2.507 1.069 0.946 1.000 0.897 C 2.101 30 residues pruned to eliminate duplicates Z: 18 54.187 2.577 0.720 0.887 1.000 0.824 C 2.139 18 residues pruned to eliminate duplicates Z: 18 47.018 2.451 0.686 0.894 1.000 0.824 C 1.981 18 residues pruned to eliminate duplicates Z: 7 14.464 2.353 0.058 0.861 1.000 1.000 CB 1.744 7 residues pruned to eliminate duplicates Z: 8 15.011 2.232 0.188 0.833 1.000 0.857 CA 1.604 8 residues pruned to eliminate duplicates Z: 15 27.066 2.218 0.434 0.900 1.000 0.929 CB 1.625 15 residues pruned to eliminate duplicates Z: 22 75.228 2.677 0.985 0.918 0.952 0.810 C 2.287 22 residues pruned to eliminate duplicates Z: 62 59.023 2.306 0.965 0.509 0.967 0.689 CB 1.709 23 residues pruned to eliminate duplicates Z: 37 87.688 2.649 0.804 0.885 1.000 0.861 C 2.208 37 residues pruned to eliminate duplicates Z: 21 44.591 2.467 0.532 0.881 1.000 0.800 CB 1.911 21 residues pruned to eliminate duplicates Z: 12 40.313 2.635 0.692 0.912 0.909 0.818 C 2.124 12 residues pruned to eliminate duplicates Z: 37 49.642 2.558 0.752 0.476 0.944 0.639 CB 2.002 29 residues pruned to eliminate duplicates Z: 21 93.076 2.713 1.278 0.945 1.000 0.750 CB 2.330 21 residues pruned to eliminate duplicates Z: 18 48.809 2.662 0.710 0.844 0.882 0.706 C 2.193 18 residues pruned to eliminate duplicates Z: 39 82.938 2.547 0.924 0.855 0.947 0.763 C 2.138 39 residues pruned to eliminate duplicates Z: 20 90.421 2.797 1.184 0.928 1.000 0.789 C 2.379 20 residues pruned to eliminate duplicates Z: 25 44.835 2.397 1.077 0.675 0.833 0.542 CB 1.878 25 residues pruned to eliminate duplicates Z: 30 44.675 2.457 0.752 0.633 0.897 0.690 CB 1.898 30 residues pruned to eliminate duplicates Z: 8 16.177 2.276 0.266 0.789 0.857 0.714 CA 1.920 8 residues pruned to eliminate duplicates Z: 44 43.459 2.319 0.864 0.541 0.860 0.605 CB 1.712 44 residues pruned to eliminate duplicates Z: 15 41.799 2.361 0.647 0.910 1.000 0.929 CB 2.038 15 residues pruned to eliminate duplicates Z: 31 65.620 2.399 0.776 0.932 0.967 0.833 C 2.032 31 residues pruned to eliminate duplicates Z: 31 67.803 2.428 0.727 0.934 1.000 0.800 CB 2.059 31 residues pruned to eliminate duplicates Z: 6 11.952 2.218 -0.032 0.860 1.000 0.400 C 1.830 6 residues pruned to eliminate duplicates Z: 9 18.032 2.126 0.475 0.819 1.000 0.875 CA 1.542 9 residues pruned to eliminate duplicates Z: 29 76.972 2.571 0.767 0.947 1.000 0.893 C 2.214 29 residues pruned to eliminate duplicates Z: 18 38.374 2.379 0.582 0.901 1.000 0.765 CB 1.764 18 residues pruned to eliminate duplicates Z: 28 49.685 2.424 0.625 0.832 0.926 0.852 C 1.969 28 residues pruned to eliminate duplicates Z: 30 70.060 2.502 0.728 0.928 1.000 0.897 C 2.108 30 residues pruned to eliminate duplicates Z: 30 82.736 2.501 1.018 0.935 1.000 0.828 C 2.121 30 residues pruned to eliminate duplicates Z: 30 69.932 2.465 0.694 0.945 1.000 0.862 C 2.152 30 residues pruned to eliminate duplicates Z: 36 67.785 2.540 0.584 0.892 0.971 0.914 C 2.105 36 residues pruned to eliminate duplicates Z: 30 64.304 2.439 0.629 0.938 1.000 0.966 C 2.089 30 residues pruned to eliminate duplicates Z: 30 90.651 2.516 1.183 0.942 1.000 0.862 C 2.125 31 residues pruned to eliminate duplicates Z: 76 61.822 2.331 0.900 0.504 0.933 0.693 CB 1.720 70 residues pruned to eliminate duplicates Z: 30 59.772 2.499 0.460 0.931 1.000 0.897 C 2.126 30 residues pruned to eliminate duplicates Z: 29 64.024 2.513 0.623 0.883 1.000 0.857 C 2.145 29 residues pruned to eliminate duplicates Z: 13 37.559 2.352 0.821 0.896 0.917 0.750 C 1.977 13 residues pruned to eliminate duplicates Z: 15 54.202 2.395 1.112 0.911 1.000 0.929 C 2.030 15 residues pruned to eliminate duplicates Z: 7 21.264 2.303 0.397 0.893 1.000 0.833 CB 1.937 7 residues pruned to eliminate duplicates Z: 10 13.057 1.798 0.261 0.831 1.000 0.889 CA 1.442 10 residues pruned to eliminate duplicates Z: 14 37.267 2.345 0.990 0.800 0.923 0.769 CB 1.845 14 residues pruned to eliminate duplicates Z: 29 45.689 2.418 0.651 0.662 0.964 0.679 CB 1.931 18 residues pruned to eliminate duplicates Z: 15 40.991 2.371 0.622 0.900 1.000 0.857 C 2.035 15 residues pruned to eliminate duplicates Z: 46 50.799 2.292 0.957 0.584 0.911 0.711 CB 1.710 46 residues pruned to eliminate duplicates Z: 31 66.522 2.428 0.743 0.923 1.000 0.833 C 2.016 31 residues pruned to eliminate duplicates Z: 18 27.598 2.171 1.052 0.446 0.941 0.588 CB 1.688 18 residues pruned to eliminate duplicates Z: 46 47.190 2.206 0.947 0.548 0.933 0.622 CB 1.675 46 residues pruned to eliminate duplicates Z: 58 81.507 2.485 1.094 0.628 0.930 0.579 C 1.978 50 residues pruned to eliminate duplicates Z: 18 42.970 2.385 0.612 0.917 1.000 0.824 CB 1.913 18 residues pruned to eliminate duplicates Z: 10 28.126 2.310 0.610 0.802 1.000 0.667 CB 1.937 10 residues pruned to eliminate duplicates Z: 51 68.809 2.490 0.734 0.645 0.960 0.680 CB 2.050 51 residues pruned to eliminate duplicates Z: 39 71.649 2.523 0.626 0.874 0.974 0.789 C 2.118 39 residues pruned to eliminate duplicates Z: 18 39.913 2.348 0.912 0.845 0.824 0.588 CB 1.947 18 residues pruned to eliminate duplicates Z: 31 73.800 2.424 0.865 0.939 1.000 0.900 C 2.071 31 residues pruned to eliminate duplicates Z: 7 14.285 2.246 0.083 0.828 1.000 0.667 CB 1.805 7 residues pruned to eliminate duplicates Z: 17 44.644 2.456 0.758 0.857 0.875 0.812 C 2.176 17 residues pruned to eliminate duplicates Z: 8 14.828 2.031 0.364 0.868 1.000 0.857 C 1.479 8 residues pruned to eliminate duplicates Z: 19 55.318 2.590 0.722 0.872 1.000 0.667 CB 2.131 19 residues pruned to eliminate duplicates Z: 45 52.164 2.253 0.981 0.551 0.955 0.636 CB 1.756 45 residues pruned to eliminate duplicates Z: 39 65.635 2.507 0.559 0.863 0.947 0.763 C 2.109 39 residues pruned to eliminate duplicates Z: 17 55.923 2.598 0.886 0.928 0.938 0.938 C 2.131 17 residues pruned to eliminate duplicates Z: 36 71.711 2.488 0.751 0.893 0.971 0.829 C 2.056 36 residues pruned to eliminate duplicates Z: 36 80.663 2.573 0.722 0.904 1.000 0.886 C 2.192 36 residues pruned to eliminate duplicates Z: 52 71.864 2.478 0.709 0.706 0.961 0.784 CB 2.051 52 residues pruned to eliminate duplicates Z: 20 22.202 2.231 0.609 0.411 0.789 0.474 C 1.973 20 residues pruned to eliminate duplicates Z: 12 32.671 2.222 0.726 0.901 1.000 0.818 CA 1.833 12 residues pruned to eliminate duplicates Z: 30 65.440 2.475 0.643 0.931 1.000 0.966 C 2.090 30 residues pruned to eliminate duplicates Z: 54 69.287 2.465 0.937 0.607 0.906 0.585 C 1.989 54 residues pruned to eliminate duplicates Z: 31 68.519 2.390 0.842 0.932 1.000 0.833 C 1.985 31 residues pruned to eliminate duplicates Z: 15 26.570 2.265 0.164 0.923 1.000 0.929 CB 1.894 15 residues pruned to eliminate duplicates Z: 7 23.151 2.298 0.585 0.885 1.000 0.833 CA 1.873 7 residues pruned to eliminate duplicates Z: 85 79.357 2.435 0.912 0.605 0.940 0.702 CB 1.791 86 residues pruned to eliminate duplicates Z: 16 39.748 2.469 0.939 0.570 1.000 0.867 CA 2.004 16 residues pruned to eliminate duplicates Z: 13 33.926 2.371 0.975 0.748 0.917 0.500 CB 1.828 13 residues pruned to eliminate duplicates Z: 30 67.559 2.566 0.883 0.866 0.897 0.655 CB 2.120 30 residues pruned to eliminate duplicates Z: 13 12.975 2.074 0.922 0.375 0.750 0.500 CB 1.431 13 residues pruned to eliminate duplicates Z: 36 34.824 2.265 0.651 0.557 0.886 0.514 CB 1.682 36 residues pruned to eliminate duplicates Z: 9 6.297 1.704 0.370 0.382 0.750 0.500 CA 1.441 9 residues pruned to eliminate duplicates Z: 10 11.018 2.032 0.365 0.285 1.000 0.556 C 1.686 10 residues pruned to eliminate duplicates Z: 78 56.526 2.328 0.773 0.493 0.961 0.701 CB 1.635 78 residues pruned to eliminate duplicates Z: 35 81.350 2.620 0.703 0.910 1.000 0.882 C 2.217 35 residues pruned to eliminate duplicates Z: 28 59.612 2.426 0.824 0.875 1.000 0.852 CB 1.886 28 residues pruned to eliminate duplicates Z: 31 62.260 2.432 0.554 0.946 1.000 1.000 CB 2.079 31 residues pruned to eliminate duplicates Z: 15 51.361 2.394 0.953 0.918 1.000 0.857 C 2.070 15 residues pruned to eliminate duplicates Z: 14 49.460 2.412 0.943 0.910 1.000 0.692 C 2.076 14 residues pruned to eliminate duplicates Z: 30 62.947 2.505 0.506 0.935 1.000 0.966 C 2.160 30 residues pruned to eliminate duplicates Z: 40 50.448 2.369 0.777 0.605 0.923 0.538 CB 1.881 40 residues pruned to eliminate duplicates Z: 6 14.379 1.720 1.294 0.873 1.000 1.000 CB 1.187 Z: 15 46.718 2.311 0.942 0.921 1.000 0.857 C 1.957 15 residues pruned to eliminate duplicates Z: 9 25.866 2.444 0.679 0.802 0.875 0.750 CB 1.957 9 residues pruned to eliminate duplicates Z: 59 49.034 2.275 0.763 0.504 0.914 0.638 CB 1.750 59 residues pruned to eliminate duplicates Z: 17 46.356 2.539 0.652 0.897 1.000 0.812 CB 1.978 17 residues pruned to eliminate duplicates Z: 80 89.017 2.467 0.959 0.656 0.911 0.595 CB 1.967 80 residues pruned to eliminate duplicates Z: 8 8.390 1.789 0.035 0.803 0.857 0.857 C 1.534 8 residues pruned to eliminate duplicates Z: 12 17.697 1.845 1.209 0.521 1.000 0.545 CB 1.282 12 residues pruned to eliminate duplicates Z: 31 83.788 2.431 1.128 0.929 1.000 0.833 C 2.069 31 residues pruned to eliminate duplicates Z: 31 55.736 2.372 0.640 0.902 0.933 0.800 C 1.999 31 residues pruned to eliminate duplicates Z: 33 90.631 2.631 1.007 0.925 0.969 0.750 C 2.198 33 residues pruned to eliminate duplicates Z: 7 15.385 2.247 0.213 0.837 1.000 0.833 CB 1.723 7 residues pruned to eliminate duplicates Z: 16 46.292 2.355 1.275 0.894 0.933 0.800 CB 1.714 22 residues pruned to eliminate duplicates Z: 30 73.868 2.470 0.888 0.949 0.966 0.931 C 2.103 30 residues pruned to eliminate duplicates Z: 36 71.820 2.624 0.610 0.891 0.943 0.771 C 2.192 36 residues pruned to eliminate duplicates Z: 15 42.323 2.365 0.694 0.916 1.000 0.857 CB 1.995 15 residues pruned to eliminate duplicates Z: 20 50.602 2.525 0.882 0.857 0.842 0.632 CB 2.137 20 residues pruned to eliminate duplicates Z: 41 71.163 2.323 1.220 0.733 0.925 0.625 CB 1.913 38 residues pruned to eliminate duplicates Z: 29 62.102 2.522 0.494 0.934 1.000 0.964 CB 2.173 29 residues pruned to eliminate duplicates Z: 14 34.070 2.343 0.499 0.927 1.000 0.923 CB 1.885 14 residues pruned to eliminate duplicates Z: 14 38.036 2.407 1.058 0.853 0.846 0.615 C 1.860 14 residues pruned to eliminate duplicates Z: 17 31.968 2.411 0.199 0.930 1.000 0.875 CB 1.933 17 residues pruned to eliminate duplicates Z: 7 14.538 1.819 1.510 0.792 0.833 0.667 CB 1.207 Z: 18 34.968 2.380 0.308 0.905 1.000 0.824 CB 1.938 18 residues pruned to eliminate duplicates Z: 30 63.182 2.523 0.480 0.947 1.000 0.931 C 2.171 30 residues pruned to eliminate duplicates Z: 45 49.463 2.270 0.995 0.551 0.909 0.591 CB 1.724 45 residues pruned to eliminate duplicates Z: 69 123.071 2.683 0.928 0.783 1.000 0.735 CB 2.249 69 residues pruned to eliminate duplicates Z: 62 52.615 2.273 0.855 0.498 0.934 0.721 CB 1.713 62 residues pruned to eliminate duplicates Z: 38 68.954 2.543 0.632 0.878 0.919 0.811 C 2.158 38 residues pruned to eliminate duplicates Z: 31 63.693 2.512 0.816 0.894 0.900 0.667 CB 2.032 31 residues pruned to eliminate duplicates Z: 14 38.123 2.300 1.131 0.796 0.923 0.692 CB 1.803 14 residues pruned to eliminate duplicates Z: 8 14.855 2.165 0.125 0.786 1.000 0.571 CA 1.792 8 residues pruned to eliminate duplicates Z: 13 14.486 2.022 0.889 0.390 0.833 0.333 C 1.477 13 residues pruned to eliminate duplicates Z: 30 65.185 2.484 0.626 0.920 1.000 0.897 C 2.110 30 residues pruned to eliminate duplicates Z: 15 36.139 2.329 0.522 0.880 1.000 0.571 C 1.973 15 residues pruned to eliminate duplicates Z: 10 10.711 2.012 0.998 0.350 0.778 0.444 CB 1.344 10 residues pruned to eliminate duplicates Z: 36 72.537 2.491 0.662 0.916 0.971 0.886 CB 2.154 36 residues pruned to eliminate duplicates Z: 93 90.034 2.456 0.852 0.640 0.924 0.587 CB 1.960 93 residues pruned to eliminate duplicates Z: 7 17.888 2.336 0.365 0.832 1.000 0.667 CB 1.720 7 residues pruned to eliminate duplicates Z: 16 57.786 2.461 1.076 0.881 1.000 0.867 CB 2.114 23 residues pruned to eliminate duplicates Z: 19 43.791 2.385 0.732 0.860 1.000 0.667 CB 1.837 19 residues pruned to eliminate duplicates Z: 15 39.922 2.419 0.954 0.822 0.929 0.643 CB 1.838 15 residues pruned to eliminate duplicates Z: 46 43.448 2.237 0.784 0.519 0.933 0.600 CB 1.707 46 residues pruned to eliminate duplicates Z: 8 5.958 1.830 0.283 0.452 0.714 0.571 CA 1.411 8 residues pruned to eliminate duplicates Z: 15 47.777 2.311 1.093 0.884 1.000 0.786 C 1.907 15 residues pruned to eliminate duplicates Z: 15 39.966 2.269 0.787 0.885 1.000 0.929 C 1.902 15 residues pruned to eliminate duplicates Z: 60 80.663 2.461 1.044 0.667 0.932 0.576 CB 1.919 60 residues pruned to eliminate duplicates Z: 29 59.378 2.519 0.795 0.891 0.893 0.786 CB 1.997 29 residues pruned to eliminate duplicates Z: 72 114.162 2.619 0.902 0.758 0.986 0.718 CB 2.193 72 residues pruned to eliminate duplicates Z: 27 54.830 2.579 0.926 0.680 0.962 0.577 CB 1.908 27 residues pruned to eliminate duplicates Z: 8 13.621 2.139 0.336 0.875 0.857 0.714 CA 1.529 8 residues pruned to eliminate duplicates Z: 10 32.491 2.364 0.735 0.908 1.000 0.667 CB 1.875 10 residues pruned to eliminate duplicates Z: 14 21.673 2.005 0.505 0.767 0.923 0.692 C 1.703 14 residues pruned to eliminate duplicates Z: 6 15.795 2.434 0.218 0.783 1.000 0.400 CA 1.857 6 residues pruned to eliminate duplicates Z: 31 43.276 2.369 0.874 0.612 0.833 0.600 CB 1.920 31 residues pruned to eliminate duplicates Z: 31 63.297 2.427 0.600 0.923 1.000 0.867 C 2.090 31 residues pruned to eliminate duplicates Z: 21 86.585 2.751 1.103 0.915 1.000 0.900 C 2.365 21 residues pruned to eliminate duplicates Z: 17 31.499 2.292 0.800 0.690 0.875 0.688 C 1.834 17 residues pruned to eliminate duplicates Z: 21 50.346 2.409 0.581 0.875 1.000 0.900 CB 2.149 21 residues pruned to eliminate duplicates Z: 6 12.581 2.122 0.344 0.693 1.000 1.000 CA 1.654 6 residues pruned to eliminate duplicates Z: 36 72.086 2.512 0.605 0.906 1.000 0.743 C 2.149 36 residues pruned to eliminate duplicates Z: 18 43.756 2.456 0.577 0.872 1.000 0.588 CB 1.997 18 residues pruned to eliminate duplicates Z: 25 45.338 2.473 0.634 0.753 0.917 0.583 CB 1.994 25 residues pruned to eliminate duplicates Z: 36 81.064 2.527 0.843 0.910 0.971 0.629 C 2.148 36 residues pruned to eliminate duplicates Z: 6 6.681 2.048 -0.043 0.786 0.800 0.600 CB 1.482 6 residues pruned to eliminate duplicates Z: 18 56.650 2.483 1.196 0.873 0.941 0.824 CB 1.950 18 residues pruned to eliminate duplicates Z: 48 42.442 2.165 0.926 0.536 0.915 0.702 CB 1.566 48 residues pruned to eliminate duplicates Z: 17 61.222 2.468 0.979 0.937 1.000 0.875 CA 2.181 17 residues pruned to eliminate duplicates Z: 14 37.898 2.529 0.887 0.829 0.923 0.846 CB 1.796 14 residues pruned to eliminate duplicates Z: 70 114.755 2.669 0.845 0.783 0.986 0.710 CB 2.219 70 residues pruned to eliminate duplicates Z: 7 14.105 2.325 0.022 0.844 1.000 0.833 CB 1.804 7 residues pruned to eliminate duplicates Z: 44 77.146 2.574 0.716 0.786 0.977 0.698 C 2.121 44 residues pruned to eliminate duplicates Z: 30 65.505 2.491 0.601 0.924 1.000 0.931 C 2.142 30 residues pruned to eliminate duplicates Z: 28 66.268 2.558 0.907 0.894 0.889 0.667 CB 2.109 28 residues pruned to eliminate duplicates Z: 9 11.050 2.210 0.486 0.811 0.625 0.375 CB 1.452 9 residues pruned to eliminate duplicates Z: 22 78.850 2.670 0.936 0.934 1.000 0.905 CB 2.321 22 residues pruned to eliminate duplicates Z: 25 75.660 2.517 1.045 0.918 1.000 0.792 C 2.116 25 residues pruned to eliminate duplicates Z: 26 46.939 2.416 0.952 0.716 0.880 0.640 CB 1.859 26 residues pruned to eliminate duplicates Z: 19 58.005 2.610 0.764 0.883 1.000 0.833 CB 2.147 19 residues pruned to eliminate duplicates Z: 30 43.534 2.306 0.948 0.558 0.966 0.655 CB 1.761 30 residues pruned to eliminate duplicates Z: 7 9.405 1.992 0.092 0.833 0.833 0.833 C 1.589 7 residues pruned to eliminate duplicates Z: 8 17.109 2.134 0.348 0.905 1.000 1.000 CB 1.600 8 residues pruned to eliminate duplicates Z: 9 12.341 2.168 0.119 0.820 0.750 0.500 CA 1.816 9 residues pruned to eliminate duplicates Z: 24 46.590 2.388 1.012 0.661 0.957 0.652 CB 1.820 24 residues pruned to eliminate duplicates Z: 19 40.052 2.235 0.838 0.834 0.889 0.667 CB 1.938 19 residues pruned to eliminate duplicates Z: 10 6.514 1.736 0.201 0.657 0.667 0.556 C 1.350 10 residues pruned to eliminate duplicates Z: 52 71.063 2.544 0.827 0.584 0.961 0.725 CB 2.055 52 residues pruned to eliminate duplicates Z: 18 48.966 2.499 0.648 0.883 1.000 0.706 CB 2.085 18 residues pruned to eliminate duplicates Z: 29 67.778 2.518 0.713 0.924 1.000 0.857 CB 2.086 29 residues pruned to eliminate duplicates Z: 35 80.010 2.518 0.895 0.918 0.971 0.853 C 2.090 35 residues pruned to eliminate duplicates Z: 9 10.046 1.910 0.436 0.636 0.750 0.625 CB 1.521 9 residues pruned to eliminate duplicates Z: 6 5.437 1.984 -0.049 0.809 1.000 0.800 CB 0.984 6 residues pruned to eliminate duplicates Z: 69 118.592 2.682 0.939 0.779 0.956 0.735 C 2.262 68 residues pruned to eliminate duplicates Z: 90 95.524 2.523 0.758 0.727 0.910 0.719 CB 2.044 194 residues pruned to eliminate duplicates Z: 75 70.650 2.429 0.797 0.606 0.878 0.541 CB 1.937 75 residues pruned to eliminate duplicates Z: 19 32.313 2.292 0.293 0.904 1.000 0.833 CB 1.831 Z: 51 96.979 2.591 0.883 0.780 1.000 0.720 C 2.197 51 residues pruned to eliminate duplicates Z: 8 20.182 2.052 0.741 0.844 1.000 0.714 CB 1.589 8 residues pruned to eliminate duplicates Z: 15 18.454 2.097 0.617 0.463 0.929 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 37 52.108 2.345 0.968 0.625 0.944 0.750 CB 1.772 Z: 6 9.660 1.706 0.733 0.845 1.000 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 16 22.708 1.903 1.033 0.502 0.933 0.733 CB 1.620 8 residues pruned to eliminate duplicates Z: 12 18.311 2.046 1.109 0.453 0.909 0.636 CB 1.477 Z: 20 38.174 2.324 0.787 0.844 1.000 0.684 CB 1.569 20 residues pruned to eliminate duplicates Z: 26 41.997 2.420 0.640 0.729 0.920 0.720 CB 1.871 19 residues pruned to eliminate duplicates Z: 90 87.810 2.483 0.855 0.610 0.933 0.674 CB 1.953 90 residues pruned to eliminate duplicates Z: 18 76.226 2.773 1.125 0.828 1.000 0.882 C 2.363 18 residues pruned to eliminate duplicates Z: 8 15.962 2.205 0.164 0.885 1.000 1.000 CA 1.697 Z: 17 40.127 2.385 0.505 0.903 1.000 0.875 C 1.992 17 residues pruned to eliminate duplicates Z: 46 59.094 2.433 0.851 0.591 0.911 0.622 C 1.968 46 residues pruned to eliminate duplicates Z: 15 33.688 2.199 0.567 0.872 1.000 0.929 CB 1.905 15 residues pruned to eliminate duplicates Z: 46 45.411 2.205 0.904 0.521 0.933 0.622 CB 1.692 45 residues pruned to eliminate duplicates Z: 21 28.532 2.231 0.769 0.510 0.950 0.700 CB 1.686 21 residues pruned to eliminate duplicates Z: 23 29.521 2.338 0.683 0.437 1.000 0.773 CB 1.707 16 residues pruned to eliminate duplicates Z: 10 7.515 2.003 -0.054 0.333 1.000 0.778 CB 1.587 7 residues pruned to eliminate duplicates Z: 20 20.887 2.137 0.514 0.392 0.947 0.684 CB 1.752 20 residues pruned to eliminate duplicates Z: 15 44.050 2.649 0.517 0.890 1.000 0.857 CB 2.108 15 residues pruned to eliminate duplicates Z: 33 62.156 2.535 0.971 0.622 0.969 0.594 CB 2.024 33 residues pruned to eliminate duplicates Z: 7 9.608 1.820 0.145 0.847 1.000 0.667 CB 1.396 7 residues pruned to eliminate duplicates Z: 26 62.711 2.557 0.933 0.877 0.880 0.560 CB 2.095 26 residues pruned to eliminate duplicates Z: 13 22.535 2.220 0.459 0.845 0.833 0.750 CB 1.792 13 residues pruned to eliminate duplicates Z: 7 12.076 1.908 0.461 0.818 1.000 0.667 CA 1.342 7 residues pruned to eliminate duplicates Z: 7 14.828 2.355 0.421 0.573 1.000 0.667 CA 1.685 7 residues pruned to eliminate duplicates Z: 30 84.322 2.418 1.174 0.947 1.000 0.931 C 2.059 33 residues pruned to eliminate duplicates Z: 52 63.195 2.396 0.914 0.581 0.961 0.686 CB 1.858 51 residues pruned to eliminate duplicates Z: 15 55.449 2.362 1.210 0.923 1.000 0.857 C 1.996 15 residues pruned to eliminate duplicates Z: 10 22.381 2.218 0.440 0.828 1.000 0.778 CB 1.759 10 residues pruned to eliminate duplicates Z: 70 111.653 2.628 0.887 0.773 0.971 0.681 CB 2.193 71 residues pruned to eliminate duplicates Z: 32 61.091 2.511 0.596 0.868 0.968 0.839 CB 2.069 32 residues pruned to eliminate duplicates Z: 18 23.321 2.203 0.377 0.527 0.941 0.647 C 1.928 18 residues pruned to eliminate duplicates Z: 10 14.799 1.941 0.401 0.594 1.000 0.667 C 1.658 10 residues pruned to eliminate duplicates Z: 27 44.234 2.336 1.014 0.648 0.885 0.500 CB 1.815 27 residues pruned to eliminate duplicates Z: 35 66.255 2.517 1.053 0.649 0.971 0.588 CB 1.972 35 residues pruned to eliminate duplicates Z: 32 50.352 2.425 0.821 0.551 0.968 0.613 CB 2.014 32 residues pruned to eliminate duplicates Z: 8 27.888 2.620 0.299 0.910 1.000 1.000 CA 2.195 8 residues pruned to eliminate duplicates Z: 40 57.882 2.449 0.930 0.608 0.923 0.564 CB 1.917 40 residues pruned to eliminate duplicates Z: 16 16.899 2.072 0.232 0.546 0.933 0.800 CB 1.751 16 residues pruned to eliminate duplicates Z: 10 15.250 2.122 0.586 0.457 0.889 0.444 C 1.777 6 residues pruned to eliminate duplicates Z: 13 20.676 2.201 0.586 0.425 1.000 0.583 CB 1.848 13 residues pruned to eliminate duplicates Z: 11 11.352 1.955 0.080 0.878 1.000 0.800 CB 1.234 11 residues pruned to eliminate duplicates Z: 33 62.681 2.596 0.834 0.632 1.000 0.719 CB 2.057 33 residues pruned to eliminate duplicates Z: 64 78.743 2.488 0.877 0.624 0.952 0.667 CB 1.986 64 residues pruned to eliminate duplicates Z: 15 41.651 2.343 0.692 0.900 1.000 0.929 CB 2.007 15 residues pruned to eliminate duplicates Z: 73 123.798 2.722 0.923 0.763 0.972 0.722 C 2.270 73 residues pruned to eliminate duplicates Z: 13 39.598 2.268 0.976 0.893 1.000 0.833 C 1.832 13 residues pruned to eliminate duplicates Z: 17 53.114 2.570 0.991 0.880 0.875 0.625 CB 2.149 17 residues pruned to eliminate duplicates Z: 12 16.249 2.117 0.661 0.497 1.000 0.636 CB 1.397 12 residues pruned to eliminate duplicates Z: 12 26.366 2.386 0.601 0.554 1.000 0.727 CA 1.975 12 residues pruned to eliminate duplicates Z: 10 22.941 2.410 1.016 0.446 0.889 0.667 CB 1.871 10 residues pruned to eliminate duplicates Z: 35 77.828 2.565 0.783 0.919 0.941 0.824 C 2.185 35 residues pruned to eliminate duplicates Z: 15 37.563 2.314 0.678 0.904 1.000 0.929 CB 1.842 15 residues pruned to eliminate duplicates Z: 88 75.507 2.369 0.872 0.551 0.943 0.609 CB 1.843 89 residues pruned to eliminate duplicates Z: 8 9.198 1.743 -0.059 0.858 1.000 0.857 CB 1.562 8 residues pruned to eliminate duplicates Z: 8 8.767 1.928 0.711 0.494 0.714 0.714 CA 1.415 Z: 25 44.930 2.339 0.352 0.941 1.000 0.958 CB 2.013 25 residues pruned to eliminate duplicates Z: 35 75.626 2.565 0.662 0.905 1.000 0.882 CB 2.166 35 residues pruned to eliminate duplicates Z: 45 70.202 2.452 1.079 0.653 0.886 0.591 CB 2.031 45 residues pruned to eliminate duplicates Z: 33 90.604 2.719 1.099 0.763 0.969 0.594 C 2.295 33 residues pruned to eliminate duplicates Z: 8 16.845 2.402 0.710 0.531 0.857 0.714 CB 1.754 8 residues pruned to eliminate duplicates Z: 20 34.089 2.251 0.739 0.635 0.947 0.684 C 1.858 20 residues pruned to eliminate duplicates Z: 12 20.982 2.300 0.532 0.518 0.909 0.727 CA 1.940 12 residues pruned to eliminate duplicates Z: 10 11.529 2.058 0.465 0.462 1.000 0.778 CB 1.325 7 residues pruned to eliminate duplicates Z: 56 112.690 2.730 0.898 0.825 0.964 0.800 C 2.296 56 residues pruned to eliminate duplicates Z: 14 14.245 2.069 0.521 0.547 0.846 0.538 CB 1.417 22 residues pruned to eliminate duplicates Z: 47 44.575 2.325 0.712 0.506 0.957 0.652 CB 1.717 47 residues pruned to eliminate duplicates Z: 21 55.439 2.422 0.838 0.918 1.000 0.850 C 1.963 21 residues pruned to eliminate duplicates Z: 16 63.043 2.714 0.993 0.906 0.933 0.733 C 2.292 16 residues pruned to eliminate duplicates Z: 33 82.069 2.641 1.052 0.729 0.969 0.688 C 2.248 33 residues pruned to eliminate duplicates Z: 30 64.447 2.497 0.540 0.944 1.000 1.000 CB 2.156 30 residues pruned to eliminate duplicates Z: 8 7.335 1.950 0.268 0.500 1.000 0.714 CB 1.120 8 residues pruned to eliminate duplicates Z: 17 51.670 2.600 0.718 0.879 1.000 0.875 C 2.096 17 residues pruned to eliminate duplicates Z: 20 53.674 2.472 0.712 0.856 1.000 0.684 C 2.146 20 residues pruned to eliminate duplicates Z: 14 16.895 2.107 0.981 0.453 0.769 0.538 CB 1.531 14 residues pruned to eliminate duplicates Z: 15 50.669 2.511 1.169 0.799 0.929 0.857 CB 2.061 15 residues pruned to eliminate duplicates Z: 41 61.161 2.437 0.788 0.695 0.925 0.675 C 2.007 41 residues pruned to eliminate duplicates Z: 38 70.265 2.504 0.623 0.903 0.973 0.811 C 2.082 38 residues pruned to eliminate duplicates Z: 55 87.013 2.562 0.889 0.740 0.944 0.648 CB 2.090 55 residues pruned to eliminate duplicates Z: 33 56.615 2.424 0.882 0.689 0.938 0.688 CB 1.968 36 residues pruned to eliminate duplicates Z: 31 56.397 2.566 0.870 0.610 0.967 0.733 CB 2.000 31 residues pruned to eliminate duplicates Z: 28 56.581 2.350 0.854 0.857 0.963 0.815 C 1.913 28 residues pruned to eliminate duplicates Z: 7 5.268 1.677 0.317 0.341 0.833 0.500 C 1.390 Z: 16 30.426 2.177 0.547 0.796 1.000 0.867 CA 1.801 16 residues pruned to eliminate duplicates Z: 20 23.297 2.183 0.454 0.483 0.947 0.632 CB 1.808 20 residues pruned to eliminate duplicates Z: 21 64.093 2.646 0.857 0.901 1.000 0.800 CB 2.081 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 111 115.591 2.535 0.862 0.692 0.936 0.764 CB 2.092 111 residues pruned to eliminate duplicates Z: 145 108.351 2.439 0.778 0.656 0.924 0.694 CB 1.950 145 residues pruned to eliminate duplicates Z: 33 60.082 2.458 0.582 0.845 0.969 0.938 CB 2.096 33 residues pruned to eliminate duplicates Z: 33 58.815 2.494 0.594 0.849 0.969 0.906 CB 2.002 33 residues pruned to eliminate duplicates Z: 33 61.999 2.465 0.633 0.833 1.000 0.875 CB 2.042 33 residues pruned to eliminate duplicates Z: 33 62.207 2.485 0.634 0.841 1.000 0.844 CB 2.019 33 residues pruned to eliminate duplicates Z: 33 62.754 2.474 0.691 0.839 0.969 0.875 CB 2.044 33 residues pruned to eliminate duplicates Z: 34 66.682 2.487 0.803 0.824 0.970 0.909 CB 2.017 34 residues pruned to eliminate duplicates Z: 34 60.234 2.449 0.682 0.827 0.970 0.879 CB 1.978 34 residues pruned to eliminate duplicates Z: 33 66.475 2.492 0.691 0.848 1.000 0.844 CB 2.069 33 residues pruned to eliminate duplicates Z: 33 73.489 2.506 0.845 0.851 1.000 0.906 CB 2.080 33 residues pruned to eliminate duplicates Z: 60 77.555 2.496 0.724 0.742 0.949 0.797 CB 1.991 62 residues pruned to eliminate duplicates Z: 31 80.381 2.444 1.026 0.946 1.000 0.867 C 2.049 34 residues pruned to eliminate duplicates Z: 30 74.934 2.492 0.850 0.937 1.000 0.931 C 2.100 30 residues pruned to eliminate duplicates Z: 33 76.297 2.514 0.925 0.846 1.000 0.938 CB 2.071 33 residues pruned to eliminate duplicates Z: 34 69.318 2.467 0.929 0.825 0.970 0.788 CB 1.973 34 residues pruned to eliminate duplicates Z: 34 64.586 2.485 0.786 0.830 0.970 0.848 CB 1.964 34 residues pruned to eliminate duplicates Z: 32 73.048 2.511 0.822 0.878 1.000 0.871 CB 2.081 32 residues pruned to eliminate duplicates Z: 32 74.298 2.516 0.913 0.870 0.968 0.935 CB 2.091 32 residues pruned to eliminate duplicates Z: 34 66.920 2.462 0.796 0.828 0.970 0.939 CB 2.046 34 residues pruned to eliminate duplicates Z: 34 71.480 2.479 0.922 0.825 0.970 0.848 CB 2.032 34 residues pruned to eliminate duplicates Z: 33 70.586 2.494 0.957 0.841 0.938 0.812 CB 2.033 33 residues pruned to eliminate duplicates Z: 33 72.795 2.499 0.914 0.853 0.969 0.812 CB 2.053 31 residues pruned to eliminate duplicates Z: 31 73.945 2.421 1.010 0.928 0.967 0.767 C 2.010 31 residues pruned to eliminate duplicates Z: 33 76.642 2.506 1.058 0.858 0.938 0.906 CB 2.063 33 residues pruned to eliminate duplicates Z: 34 70.288 2.467 0.985 0.828 0.939 0.818 CB 2.002 34 residues pruned to eliminate duplicates Z: 34 74.309 2.465 1.055 0.826 0.970 0.788 CB 1.985 34 residues pruned to eliminate duplicates Z: 34 73.762 2.452 1.038 0.829 0.970 0.818 CB 1.994 34 residues pruned to eliminate duplicates Z: 39 65.526 2.375 1.092 0.704 0.921 0.763 CB 1.930 39 residues pruned to eliminate duplicates Z: 59 81.738 2.441 0.958 0.722 0.931 0.724 CB 1.974 59 residues pruned to eliminate duplicates Z: 40 62.077 2.339 1.053 0.700 0.923 0.641 CB 1.869 40 residues pruned to eliminate duplicates Z: 57 80.076 2.460 0.867 0.759 0.946 0.607 CB 1.955 57 residues pruned to eliminate duplicates Z: 41 63.467 2.304 0.992 0.716 0.950 0.750 CB 1.893 41 residues pruned to eliminate duplicates Z: 59 77.597 2.418 0.914 0.722 0.931 0.741 CB 1.935 59 residues pruned to eliminate duplicates Z: 57 79.428 2.486 0.840 0.743 0.946 0.768 CB 1.973 57 residues pruned to eliminate duplicates Z: 29 45.850 2.416 0.741 0.659 0.893 0.643 CB 1.990 29 residues pruned to eliminate duplicates Z: 26 44.119 2.486 0.591 0.714 0.920 0.600 CB 1.998 26 residues pruned to eliminate duplicates Z: 26 46.154 2.460 0.613 0.730 0.960 0.680 CB 1.970 26 residues pruned to eliminate duplicates Z: 28 43.553 2.375 0.697 0.642 0.926 0.704 C 1.968 28 residues pruned to eliminate duplicates Z: 28 37.381 2.359 0.591 0.667 0.889 0.593 CB 1.847 28 residues pruned to eliminate duplicates Z: 28 44.191 2.436 0.617 0.671 0.963 0.593 CB 1.914 28 residues pruned to eliminate duplicates Z: 57 85.024 2.477 0.949 0.732 0.946 0.714 CB 2.018 57 residues pruned to eliminate duplicates Z: 17 39.261 2.454 0.357 0.905 1.000 0.812 CB 2.097 17 residues pruned to eliminate duplicates Z: 23 36.332 2.424 0.529 0.668 0.909 0.636 CB 1.968 23 residues pruned to eliminate duplicates Z: 23 39.001 2.432 0.566 0.713 0.909 0.636 C 1.980 23 residues pruned to eliminate duplicates Z: 23 41.316 2.462 0.572 0.693 0.955 0.727 CB 2.000 23 residues pruned to eliminate duplicates Z: 28 33.891 2.290 0.534 0.681 0.926 0.667 CB 1.697 28 residues pruned to eliminate duplicates Z: 27 40.684 2.420 0.642 0.687 0.846 0.577 CB 1.999 27 residues pruned to eliminate duplicates Z: 22 43.901 2.534 0.621 0.736 0.905 0.571 CB 2.086 22 residues pruned to eliminate duplicates Z: 60 85.725 2.492 0.881 0.750 0.949 0.780 CB 2.007 60 residues pruned to eliminate duplicates Z: 27 44.045 2.394 0.811 0.689 0.885 0.654 C 1.895 27 residues pruned to eliminate duplicates Z: 27 47.155 2.439 0.842 0.729 0.846 0.731 CB 1.980 27 residues pruned to eliminate duplicates Z: 24 43.057 2.408 0.690 0.736 0.957 0.696 CB 1.866 24 residues pruned to eliminate duplicates Z: 26 39.617 2.465 0.615 0.699 0.880 0.600 CB 1.885 26 residues pruned to eliminate duplicates Z: 31 42.765 2.287 0.791 0.582 0.967 0.600 CB 1.822 31 residues pruned to eliminate duplicates Z: 27 45.211 2.502 0.836 0.660 0.885 0.615 CB 1.880 27 residues pruned to eliminate duplicates Z: 37 51.125 2.414 0.774 0.624 0.944 0.722 CB 1.875 37 residues pruned to eliminate duplicates Z: 30 36.765 2.355 0.695 0.576 0.931 0.655 CB 1.708 30 residues pruned to eliminate duplicates Z: 29 27.563 2.178 0.785 0.512 0.857 0.500 CB 1.545 29 residues pruned to eliminate duplicates Z: 22 31.788 2.279 0.894 0.517 0.905 0.667 CB 1.747 22 residues pruned to eliminate duplicates Z: 19 33.014 2.378 0.996 0.555 0.889 0.778 CB 1.748 19 residues pruned to eliminate duplicates Z: 34 35.384 2.258 0.623 0.539 0.909 0.576 CB 1.780 34 residues pruned to eliminate duplicates Z: 41 59.469 2.476 0.956 0.658 0.900 0.625 CB 1.863 41 residues pruned to eliminate duplicates Z: 39 41.559 2.335 0.709 0.564 0.921 0.632 CB 1.723 39 residues pruned to eliminate duplicates Z: 62 61.710 2.331 0.921 0.540 0.934 0.656 CB 1.816 62 residues pruned to eliminate duplicates Z: 23 32.494 2.325 0.652 0.521 0.955 0.682 CB 1.850 23 residues pruned to eliminate duplicates Z: 48 67.818 2.419 0.966 0.702 0.894 0.830 CB 1.937 48 residues pruned to eliminate duplicates Z: 35 43.742 2.532 0.531 0.666 0.912 0.676 CB 1.820 35 residues pruned to eliminate duplicates Z: 10 24.509 2.579 0.529 0.694 0.889 0.778 CB 1.951 10 residues pruned to eliminate duplicates Z: 56 58.021 2.378 0.844 0.556 0.927 0.673 CB 1.823 56 residues pruned to eliminate duplicates Z: 10 25.331 2.498 0.663 0.811 0.889 0.778 CB 1.745 10 residues pruned to eliminate duplicates Z: 26 19.086 2.164 0.412 0.398 0.920 0.520 CB 1.512 26 residues pruned to eliminate duplicates Z: 38 36.286 2.382 0.632 0.558 0.865 0.568 CB 1.677 38 residues pruned to eliminate duplicates Z: 26 18.333 2.091 0.476 0.485 0.840 0.680 CB 1.436 26 residues pruned to eliminate duplicates Z: 47 45.459 2.316 0.867 0.523 0.891 0.630 CB 1.700 47 residues pruned to eliminate duplicates Z: 61 50.304 2.281 0.835 0.502 0.933 0.633 CB 1.660 61 residues pruned to eliminate duplicates Z: 45 46.145 2.235 0.829 0.524 0.932 0.682 CB 1.783 45 residues pruned to eliminate duplicates Z: 61 52.921 2.328 0.854 0.491 0.917 0.650 CB 1.742 61 residues pruned to eliminate duplicates Z: 63 53.819 2.290 0.845 0.512 0.935 0.645 CB 1.709 63 residues pruned to eliminate duplicates Z: 44 45.172 2.324 0.849 0.540 0.884 0.651 CB 1.745 44 residues pruned to eliminate duplicates Z: 61 54.575 2.309 0.834 0.501 0.950 0.667 CB 1.749 61 residues pruned to eliminate duplicates Z: 61 53.572 2.348 0.750 0.537 0.950 0.717 CB 1.710 61 residues pruned to eliminate duplicates Z: 62 60.108 2.327 0.905 0.525 0.951 0.689 CB 1.781 62 residues pruned to eliminate duplicates Z: 62 54.114 2.318 0.776 0.502 0.951 0.639 CB 1.767 62 residues pruned to eliminate duplicates Z: 60 56.363 2.324 0.901 0.523 0.932 0.661 CB 1.742 60 residues pruned to eliminate duplicates Z: 18 25.771 2.166 0.984 0.492 0.824 0.588 C 1.780 18 residues pruned to eliminate duplicates Z: 49 52.716 2.406 0.767 0.570 0.917 0.688 CB 1.824 49 residues pruned to eliminate duplicates Z: 60 55.715 2.335 0.866 0.505 0.932 0.678 CB 1.777 60 residues pruned to eliminate duplicates Z: 62 56.523 2.311 0.836 0.523 0.967 0.721 CB 1.723 62 residues pruned to eliminate duplicates Z: 21 29.035 2.136 1.095 0.475 1.000 0.600 CB 1.489 21 residues pruned to eliminate duplicates Z: 44 58.491 2.332 1.063 0.581 0.953 0.744 CB 1.799 44 residues pruned to eliminate duplicates Z: 61 55.659 2.364 0.846 0.526 0.917 0.633 CB 1.751 61 residues pruned to eliminate duplicates Z: 62 58.494 2.358 0.855 0.526 0.951 0.705 CB 1.756 62 residues pruned to eliminate duplicates Z: 69 58.459 2.352 0.761 0.533 0.912 0.647 CB 1.818 69 residues pruned to eliminate duplicates Z: 81 66.081 2.402 0.823 0.566 0.900 0.700 CB 1.758 81 residues pruned to eliminate duplicates Z: 61 60.890 2.341 0.987 0.518 0.933 0.733 CB 1.779 61 residues pruned to eliminate duplicates Z: 44 58.486 2.335 1.113 0.576 0.953 0.744 CB 1.762 44 residues pruned to eliminate duplicates Z: 35 52.215 2.295 1.057 0.618 0.971 0.765 CB 1.748 35 residues pruned to eliminate duplicates Z: 62 54.501 2.280 0.908 0.489 0.951 0.672 CB 1.706 62 residues pruned to eliminate duplicates Z: 60 50.319 2.296 0.827 0.490 0.932 0.508 CB 1.692 60 residues pruned to eliminate duplicates Z: 59 59.635 2.341 0.955 0.523 0.966 0.724 CB 1.731 59 residues pruned to eliminate duplicates Z: 46 51.365 2.335 0.989 0.544 0.956 0.778 CB 1.653 46 residues pruned to eliminate duplicates Z: 54 55.488 2.361 0.999 0.544 0.887 0.642 CB 1.744 54 residues pruned to eliminate duplicates Z: 81 78.621 2.450 0.958 0.603 0.913 0.625 CB 1.821 81 residues pruned to eliminate duplicates Z: 45 49.899 2.266 1.044 0.555 0.909 0.705 CB 1.694 45 residues pruned to eliminate duplicates Z: 117 95.529 2.422 0.905 0.627 0.922 0.698 CB 1.850 117 residues pruned to eliminate duplicates Z: 61 62.537 2.380 0.976 0.551 0.933 0.683 CB 1.749 61 residues pruned to eliminate duplicates Z: 45 57.451 2.308 1.131 0.568 0.932 0.636 CB 1.769 45 residues pruned to eliminate duplicates Z: 44 50.786 2.288 0.992 0.549 0.953 0.605 CB 1.699 44 residues pruned to eliminate duplicates Z: 42 49.104 2.283 1.040 0.559 0.927 0.707 CB 1.678 42 residues pruned to eliminate duplicates Z: 81 58.885 2.314 0.842 0.506 0.925 0.625 CB 1.659 81 residues pruned to eliminate duplicates Z: 61 54.870 2.308 0.917 0.496 0.917 0.617 CB 1.753 61 residues pruned to eliminate duplicates Z: 48 49.239 2.281 0.895 0.533 0.936 0.702 CB 1.719 48 residues pruned to eliminate duplicates Z: 78 65.760 2.361 0.942 0.507 0.922 0.675 CB 1.761 78 residues pruned to eliminate duplicates Z: 45 44.623 2.275 0.921 0.524 0.864 0.705 CB 1.741 45 residues pruned to eliminate duplicates Z: 118 105.753 2.457 0.885 0.650 0.915 0.675 CB 2.007 118 residues pruned to eliminate duplicates Z: 43 50.243 2.358 0.943 0.534 0.929 0.690 CB 1.762 43 residues pruned to eliminate duplicates Z: 71 62.805 2.376 0.941 0.515 0.943 0.700 CB 1.701 71 residues pruned to eliminate duplicates Z: 25 27.494 2.290 0.581 0.406 1.000 0.750 CB 1.711 25 residues pruned to eliminate duplicates Z: 62 52.027 2.292 0.919 0.481 0.902 0.590 CB 1.713 62 residues pruned to eliminate duplicates Z: 69 57.583 2.366 0.768 0.528 0.926 0.691 CB 1.753 69 residues pruned to eliminate duplicates Z: 63 58.562 2.286 0.933 0.493 0.968 0.710 CB 1.751 63 residues pruned to eliminate duplicates Z: 21 23.485 2.238 0.571 0.390 1.000 0.650 CB 1.679 21 residues pruned to eliminate duplicates Z: 61 59.494 2.312 1.044 0.487 0.950 0.650 CB 1.735 61 residues pruned to eliminate duplicates Z: 62 54.634 2.302 0.891 0.483 0.951 0.721 CB 1.719 62 residues pruned to eliminate duplicates Z: 28 30.835 2.304 0.725 0.407 0.963 0.667 CB 1.710 28 residues pruned to eliminate duplicates Z: 65 53.746 2.225 0.939 0.492 0.953 0.703 CB 1.646 65 residues pruned to eliminate duplicates Z: 62 52.579 2.289 0.974 0.489 0.885 0.607 CB 1.701 62 residues pruned to eliminate duplicates Z: 60 59.453 2.345 0.959 0.501 0.949 0.661 CB 1.773 60 residues pruned to eliminate duplicates Z: 62 57.295 2.290 0.981 0.525 0.918 0.738 CB 1.719 62 residues pruned to eliminate duplicates Z: 31 25.492 2.119 0.699 0.316 0.933 0.667 CB 1.699 31 residues pruned to eliminate duplicates Z: 21 19.485 2.239 0.496 0.344 0.950 0.850 CB 1.623 21 residues pruned to eliminate duplicates Z: 46 49.261 2.415 0.619 0.501 0.956 0.578 CB 1.964 46 residues pruned to eliminate duplicates Z: 13 11.958 2.015 0.536 0.303 1.000 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 76 80.957 2.453 0.838 0.605 0.960 0.573 CB 1.954 76 residues pruned to eliminate duplicates Z: 27 55.317 2.428 0.863 0.641 1.000 0.462 CA 2.103 27 residues pruned to eliminate duplicates Z: 118 109.412 2.462 0.892 0.661 0.949 0.650 CB 1.971 118 residues pruned to eliminate duplicates Z: 70 122.617 2.668 0.989 0.760 0.986 0.696 C 2.240 70 residues pruned to eliminate duplicates Z: 72 106.312 2.627 0.925 0.746 0.915 0.690 C 2.188 72 residues pruned to eliminate duplicates Z: 70 118.628 2.669 0.974 0.776 0.971 0.667 C 2.188 70 residues pruned to eliminate duplicates Z: 70 115.517 2.675 0.928 0.763 0.957 0.710 C 2.233 70 residues pruned to eliminate duplicates Z: 60 114.414 2.696 0.914 0.845 0.949 0.814 C 2.261 60 residues pruned to eliminate duplicates Z: 71 111.851 2.675 0.838 0.755 0.971 0.700 C 2.230 71 residues pruned to eliminate duplicates Z: 68 120.775 2.724 0.901 0.802 0.970 0.716 C 2.256 68 residues pruned to eliminate duplicates Z: 68 116.384 2.718 0.853 0.781 0.970 0.761 C 2.272 68 residues pruned to eliminate duplicates Z: 59 110.540 2.697 0.891 0.822 0.948 0.690 C 2.270 59 residues pruned to eliminate duplicates Z: 58 118.298 2.714 0.997 0.838 0.947 0.702 C 2.281 58 residues pruned to eliminate duplicates Z: 82 120.206 2.702 0.864 0.771 0.926 0.704 C 2.253 82 residues pruned to eliminate duplicates Z: 33 88.303 2.778 1.056 0.804 0.906 0.719 C 2.313 33 residues pruned to eliminate duplicates Z: 70 116.591 2.673 0.940 0.761 0.986 0.739 C 2.178 70 residues pruned to eliminate duplicates Z: 69 114.501 2.692 0.893 0.775 0.956 0.676 C 2.236 69 residues pruned to eliminate duplicates Z: 82 132.576 2.692 1.035 0.775 0.951 0.728 C 2.219 82 residues pruned to eliminate duplicates Z: 83 123.797 2.684 0.940 0.763 0.939 0.695 C 2.213 83 residues pruned to eliminate duplicates Z: 70 123.248 2.686 1.074 0.767 0.942 0.667 C 2.233 70 residues pruned to eliminate duplicates Z: 59 107.017 2.668 0.872 0.829 0.948 0.741 C 2.232 59 residues pruned to eliminate duplicates Z: 46 103.046 2.726 0.928 0.833 0.978 0.733 C 2.241 46 residues pruned to eliminate duplicates Z: 39 66.006 2.547 0.675 0.804 0.921 0.789 C 2.088 39 residues pruned to eliminate duplicates Z: 59 115.995 2.684 0.953 0.838 0.966 0.793 C 2.250 59 residues pruned to eliminate duplicates Z: 82 124.438 2.673 0.932 0.763 0.951 0.642 C 2.229 82 residues pruned to eliminate duplicates Z: 70 116.484 2.687 0.862 0.775 0.986 0.783 C 2.231 70 residues pruned to eliminate duplicates Z: 68 115.167 2.682 0.950 0.755 0.970 0.731 C 2.211 68 residues pruned to eliminate duplicates Z: 71 112.511 2.634 0.931 0.754 0.957 0.714 C 2.203 71 residues pruned to eliminate duplicates Z: 70 118.062 2.671 0.963 0.755 0.971 0.681 C 2.225 70 residues pruned to eliminate duplicates Z: 71 125.667 2.681 0.985 0.768 0.986 0.714 C 2.259 71 residues pruned to eliminate duplicates Z: 59 113.884 2.690 0.928 0.834 0.966 0.707 C 2.238 59 residues pruned to eliminate duplicates Z: 38 78.250 2.566 0.804 0.822 0.973 0.838 C 2.162 38 residues pruned to eliminate duplicates Z: 69 113.772 2.663 0.897 0.769 0.971 0.721 C 2.218 69 residues pruned to eliminate duplicates Z: 40 75.771 2.541 0.807 0.803 0.949 0.718 C 2.137 40 residues pruned to eliminate duplicates Z: 41 75.101 2.504 0.735 0.833 0.975 0.750 C 2.103 41 residues pruned to eliminate duplicates Z: 60 108.838 2.651 0.876 0.818 0.983 0.797 C 2.200 60 residues pruned to eliminate duplicates Z: 71 117.747 2.644 0.999 0.742 0.957 0.671 C 2.240 71 residues pruned to eliminate duplicates Z: 40 70.222 2.487 0.811 0.785 0.923 0.744 C 2.105 40 residues pruned to eliminate duplicates Z: 60 104.491 2.642 0.899 0.812 0.932 0.746 C 2.216 60 residues pruned to eliminate duplicates Z: 60 113.067 2.705 0.896 0.825 0.949 0.780 C 2.282 60 residues pruned to eliminate duplicates Z: 48 89.348 2.605 0.916 0.755 0.979 0.766 C 2.125 48 residues pruned to eliminate duplicates Z: 71 114.143 2.645 0.977 0.756 0.943 0.757 C 2.204 71 residues pruned to eliminate duplicates Z: 58 111.099 2.684 1.005 0.839 0.912 0.754 C 2.237 58 residues pruned to eliminate duplicates Z: 39 82.833 2.587 0.924 0.831 0.947 0.763 C 2.142 39 residues pruned to eliminate duplicates Z: 38 72.022 2.566 0.767 0.839 0.919 0.865 C 2.122 38 residues pruned to eliminate duplicates Z: 57 114.706 2.727 0.962 0.835 0.946 0.679 C 2.269 57 residues pruned to eliminate duplicates Z: 69 121.117 2.681 1.002 0.783 0.956 0.750 C 2.231 69 residues pruned to eliminate duplicates Z: 71 116.134 2.643 0.990 0.737 0.957 0.729 CB 2.230 71 residues pruned to eliminate duplicates Z: 70 114.636 2.682 0.894 0.766 0.957 0.768 C 2.244 70 residues pruned to eliminate duplicates Z: 68 98.642 2.560 0.948 0.719 0.925 0.701 C 2.142 68 residues pruned to eliminate duplicates Z: 61 113.514 2.636 0.935 0.803 1.000 0.733 CB 2.206 61 residues pruned to eliminate duplicates Z: 58 127.614 2.725 1.086 0.857 0.965 0.825 C 2.271 58 residues pruned to eliminate duplicates Z: 72 102.918 2.586 0.947 0.743 0.915 0.704 C 2.131 72 residues pruned to eliminate duplicates Z: 70 116.851 2.662 0.978 0.740 0.971 0.696 C 2.219 70 residues pruned to eliminate duplicates Z: 77 119.769 2.619 0.926 0.758 0.987 0.711 C 2.194 77 residues pruned to eliminate duplicates Z: 69 111.075 2.683 0.844 0.766 0.956 0.735 C 2.250 69 residues pruned to eliminate duplicates Z: 14 24.187 2.300 0.803 0.516 0.923 0.846 C 1.726 14 residues pruned to eliminate duplicates Z: 69 129.680 2.726 0.948 0.796 1.000 0.750 C 2.285 69 residues pruned to eliminate duplicates Z: 78 95.249 2.599 0.810 0.680 0.896 0.688 CB 2.181 78 residues pruned to eliminate duplicates Z: 48 82.840 2.612 0.764 0.754 0.979 0.787 C 2.138 48 residues pruned to eliminate duplicates Z: 88 116.004 2.623 0.893 0.736 0.931 0.736 CB 2.177 88 residues pruned to eliminate duplicates Z: 13 26.878 2.486 0.591 0.470 1.000 0.833 C 2.022 13 residues pruned to eliminate duplicates Z: 70 114.449 2.663 0.880 0.761 0.971 0.754 C 2.247 70 residues pruned to eliminate duplicates Z: 69 130.960 2.721 0.979 0.796 1.000 0.765 C 2.275 69 residues pruned to eliminate duplicates Z: 102 124.192 2.619 0.877 0.695 0.960 0.683 C 2.191 102 residues pruned to eliminate duplicates Z: 83 131.959 2.679 0.981 0.776 0.976 0.744 C 2.205 83 residues pruned to eliminate duplicates Z: 82 134.791 2.701 0.951 0.786 0.975 0.753 C 2.265 82 residues pruned to eliminate duplicates Z: 102 126.221 2.639 0.892 0.727 0.950 0.693 CB 2.156 102 residues pruned to eliminate duplicates Z: 20 45.247 2.468 1.276 0.673 0.842 0.526 CB 1.870 20 residues pruned to eliminate duplicates Z: 15 45.945 2.642 1.213 0.684 0.857 0.643 CB 2.070 15 residues pruned to eliminate duplicates Z: 18 33.931 2.283 1.334 0.608 0.824 0.529 CB 1.693 18 residues pruned to eliminate duplicates Z: 18 40.731 2.336 1.349 0.663 0.882 0.765 CB 1.755 18 residues pruned to eliminate duplicates Z: 17 33.061 2.365 1.251 0.665 0.750 0.562 CB 1.777 17 residues pruned to eliminate duplicates Z: 25 40.430 2.335 0.890 0.661 0.917 0.542 C 1.757 25 residues pruned to eliminate duplicates Z: 18 39.424 2.365 1.242 0.637 0.941 0.647 CB 1.685 18 residues pruned to eliminate duplicates Z: 83 133.009 2.689 1.001 0.769 0.951 0.768 C 2.261 83 residues pruned to eliminate duplicates Z: 16 36.537 2.552 1.118 0.744 0.800 0.600 CB 1.753 16 residues pruned to eliminate duplicates Z: 89 125.290 2.654 0.921 0.773 0.966 0.682 CB 2.129 89 residues pruned to eliminate duplicates Z: 32 53.897 2.498 0.949 0.660 0.935 0.742 CB 1.831 32 residues pruned to eliminate duplicates Z: 72 82.215 2.563 0.882 0.624 0.901 0.592 CB 1.997 72 residues pruned to eliminate duplicates Z: 11 17.703 2.089 0.581 0.564 1.000 0.800 CB 1.592 11 residues pruned to eliminate duplicates Z: 23 39.023 2.327 0.987 0.663 0.864 0.500 CB 1.792 23 residues pruned to eliminate duplicates Z: 23 34.942 2.415 0.882 0.431 0.864 0.500 C 2.039 23 residues pruned to eliminate duplicates Z: 20 45.221 2.660 0.856 0.514 0.947 0.684 C 2.187 20 residues pruned to eliminate duplicates Z: 19 33.514 2.548 0.787 0.420 0.889 0.500 C 2.121 19 residues pruned to eliminate duplicates Z: 83 96.913 2.555 0.841 0.676 0.915 0.659 C 2.115 83 residues pruned to eliminate duplicates Z: 33 39.492 2.448 0.758 0.536 0.844 0.469 CB 1.855 33 residues pruned to eliminate duplicates Z: 36 68.283 2.556 1.011 0.662 0.914 0.657 C 2.114 36 residues pruned to eliminate duplicates Z: 21 37.833 2.574 0.764 0.480 0.900 0.650 C 2.113 21 residues pruned to eliminate duplicates Z: 22 38.033 2.489 0.776 0.531 0.905 0.667 C 2.013 22 residues pruned to eliminate duplicates Z: 21 41.588 2.535 0.788 0.523 0.950 0.650 C 2.111 21 residues pruned to eliminate duplicates Z: 20 31.636 2.419 0.631 0.418 1.000 0.579 CB 2.004 20 residues pruned to eliminate duplicates Z: 118 129.016 2.622 0.846 0.702 0.940 0.658 CB 2.180 118 residues pruned to eliminate duplicates Z: 33 54.743 2.441 0.988 0.590 0.906 0.562 CB 2.019 33 residues pruned to eliminate duplicates Z: 33 60.048 2.509 1.108 0.622 0.906 0.594 CB 1.975 33 residues pruned to eliminate duplicates Z: 39 50.063 2.310 0.802 0.484 0.974 0.605 CB 2.036 39 residues pruned to eliminate duplicates Z: 120 136.406 2.610 0.911 0.704 0.975 0.647 CB 2.135 120 residues pruned to eliminate duplicates Z: 20 34.673 2.333 0.770 0.550 0.947 0.632 CA 1.936 20 residues pruned to eliminate duplicates Z: 39 59.447 2.502 0.565 0.684 1.000 0.684 CB 2.080 39 residues pruned to eliminate duplicates Z: 38 59.774 2.491 0.810 0.633 0.946 0.676 CB 2.033 38 residues pruned to eliminate duplicates Z: 67 75.081 2.524 0.816 0.588 0.955 0.682 CB 1.942 67 residues pruned to eliminate duplicates Z: 93 98.763 2.474 0.902 0.636 0.946 0.652 CB 2.037 93 residues pruned to eliminate duplicates Z: 16 44.827 2.519 0.937 0.634 1.000 0.867 C 2.092 16 residues pruned to eliminate duplicates Z: 39 65.053 2.503 0.840 0.660 1.000 0.711 CB 1.975 39 residues pruned to eliminate duplicates Z: 55 73.846 2.484 0.858 0.617 0.963 0.648 CB 2.025 55 residues pruned to eliminate duplicates Z: 36 61.672 2.480 0.791 0.671 0.971 0.714 C 2.065 36 residues pruned to eliminate duplicates Z: 36 60.487 2.606 0.747 0.641 0.943 0.686 CB 2.088 36 residues pruned to eliminate duplicates Z: 90 85.096 2.466 0.918 0.589 0.910 0.697 CB 1.925 90 residues pruned to eliminate duplicates Z: 18 44.872 2.553 1.018 0.546 1.000 0.647 CB 2.021 18 residues pruned to eliminate duplicates Z: 37 67.566 2.579 0.927 0.647 0.944 0.667 CB 2.093 37 residues pruned to eliminate duplicates Z: 36 59.117 2.486 0.809 0.652 0.943 0.657 CB 2.045 36 residues pruned to eliminate duplicates Z: 51 64.696 2.483 0.888 0.583 0.900 0.580 CB 2.003 51 residues pruned to eliminate duplicates Z: 38 57.968 2.463 0.690 0.672 1.000 0.703 CB 1.954 38 residues pruned to eliminate duplicates Z: 29 47.102 2.488 0.606 0.692 0.929 0.714 CB 2.012 29 residues pruned to eliminate duplicates Z: 31 42.683 2.343 0.602 0.651 0.967 0.700 CB 1.865 31 residues pruned to eliminate duplicates Z: 73 91.442 2.545 0.910 0.641 0.958 0.583 CB 2.026 73 residues pruned to eliminate duplicates Z: 77 88.989 2.516 0.973 0.639 0.895 0.605 CB 2.017 77 residues pruned to eliminate duplicates Z: 64 78.112 2.451 0.934 0.640 0.921 0.635 CB 1.979 64 residues pruned to eliminate duplicates Z: 24 46.265 2.540 0.780 0.680 0.913 0.696 CB 1.980 24 residues pruned to eliminate duplicates Z: 90 85.790 2.489 0.847 0.591 0.921 0.607 CB 1.967 89 residues pruned to eliminate duplicates Z: 19 53.176 2.500 0.741 0.884 1.000 0.833 CB 2.080 19 residues pruned to eliminate duplicates Z: 37 71.730 2.567 0.866 0.690 1.000 0.778 CB 2.097 37 residues pruned to eliminate duplicates Z: 75 87.341 2.501 0.960 0.645 0.905 0.595 C 1.997 75 residues pruned to eliminate duplicates Z: 92 107.026 2.529 0.981 0.653 0.945 0.659 CB 2.056 93 residues pruned to eliminate duplicates Z: 18 48.727 2.460 0.806 0.857 0.941 0.588 C 2.083 18 residues pruned to eliminate duplicates Z: 37 63.965 2.561 0.877 0.630 0.972 0.611 CB 2.019 37 residues pruned to eliminate duplicates Z: 37 61.735 2.486 0.931 0.665 0.944 0.667 CB 1.949 37 residues pruned to eliminate duplicates Z: 93 81.760 2.417 0.855 0.570 0.913 0.620 CB 1.946 93 residues pruned to eliminate duplicates Z: 40 48.738 2.442 0.728 0.590 0.897 0.667 CB 1.890 40 residues pruned to eliminate duplicates Z: 63 76.035 2.483 0.844 0.617 0.952 0.661 CB 1.985 63 residues pruned to eliminate duplicates Z: 91 102.285 2.538 0.994 0.629 0.922 0.656 CB 2.046 91 residues pruned to eliminate duplicates Z: 89 92.041 2.545 0.938 0.568 0.920 0.625 CB 2.024 89 residues pruned to eliminate duplicates Z: 79 93.609 2.509 0.975 0.639 0.949 0.679 CB 1.980 79 residues pruned to eliminate duplicates Z: 94 92.501 2.436 0.978 0.571 0.946 0.602 CB 1.965 94 residues pruned to eliminate duplicates Z: 61 63.520 2.428 0.912 0.548 0.883 0.617 CB 1.908 61 residues pruned to eliminate duplicates Z: 60 85.295 2.544 0.990 0.644 0.966 0.644 CB 1.985 60 residues pruned to eliminate duplicates Z: 60 71.903 2.417 1.057 0.600 0.898 0.525 C 1.905 60 residues pruned to eliminate duplicates Z: 93 103.609 2.499 0.991 0.620 0.946 0.576 CB 2.049 93 residues pruned to eliminate duplicates Z: 93 96.569 2.510 0.927 0.626 0.913 0.609 CB 2.026 93 residues pruned to eliminate duplicates Z: 39 55.179 2.434 0.881 0.627 0.895 0.605 CB 1.939 39 residues pruned to eliminate duplicates Z: 58 84.010 2.504 1.108 0.641 0.930 0.649 CB 1.987 58 residues pruned to eliminate duplicates Z: 90 86.111 2.449 0.924 0.583 0.921 0.629 CB 1.942 90 residues pruned to eliminate duplicates Z: 57 74.213 2.424 1.042 0.629 0.911 0.518 CB 1.950 57 residues pruned to eliminate duplicates Z: 94 102.955 2.511 0.997 0.638 0.925 0.645 CB 2.023 94 residues pruned to eliminate duplicates Z: 79 92.695 2.551 0.944 0.647 0.885 0.641 CB 2.086 79 residues pruned to eliminate duplicates Z: 56 58.119 2.401 0.863 0.546 0.891 0.673 CB 1.881 56 residues pruned to eliminate duplicates Z: 34 54.311 2.508 0.818 0.645 0.909 0.576 CB 1.992 34 residues pruned to eliminate duplicates Z: 53 56.514 2.316 0.884 0.595 0.865 0.500 CB 1.896 53 residues pruned to eliminate duplicates Z: 43 55.031 2.363 0.926 0.583 0.929 0.667 CB 1.855 43 residues pruned to eliminate duplicates Z: 93 102.290 2.501 1.004 0.611 0.957 0.620 CB 2.002 93 residues pruned to eliminate duplicates Z: 70 84.696 2.496 1.022 0.584 0.928 0.594 CB 2.010 70 residues pruned to eliminate duplicates Z: 49 57.502 2.315 0.945 0.577 0.917 0.479 C 1.867 49 residues pruned to eliminate duplicates Z: 16 20.698 2.260 0.528 0.554 0.800 0.533 CB 1.835 16 residues pruned to eliminate duplicates Z: 25 47.751 2.526 0.969 0.692 0.833 0.583 CB 1.973 25 residues pruned to eliminate duplicates Z: 62 67.418 2.466 0.801 0.596 0.918 0.689 CB 1.931 62 residues pruned to eliminate duplicates Z: 40 61.730 2.473 0.999 0.601 0.923 0.564 C 1.968 40 residues pruned to eliminate duplicates Z: 27 51.936 2.463 0.877 0.710 0.923 0.577 CB 1.973 27 residues pruned to eliminate duplicates Z: 75 80.809 2.528 0.864 0.610 0.905 0.635 CB 1.984 75 residues pruned to eliminate duplicates Z: 40 45.066 2.360 0.816 0.572 0.821 0.538 CB 1.914 40 residues pruned to eliminate duplicates Z: 43 54.994 2.394 0.805 0.574 0.976 0.643 CB 1.874 41 residues pruned to eliminate duplicates Z: 19 57.357 2.659 0.718 0.850 1.000 0.722 CB 2.192 19 residues pruned to eliminate duplicates Z: 130 106.784 2.502 0.900 0.599 0.907 0.566 CB 1.984 130 residues pruned to eliminate duplicates Z: 44 58.417 2.466 0.858 0.625 0.860 0.581 CB 2.009 44 residues pruned to eliminate duplicates Z: 90 106.566 2.566 0.986 0.649 0.944 0.685 CB 2.044 90 residues pruned to eliminate duplicates Z: 91 81.454 2.397 0.896 0.566 0.944 0.678 CB 1.876 91 residues pruned to eliminate duplicates Z: 77 84.003 2.490 0.819 0.646 0.934 0.658 CB 1.988 77 residues pruned to eliminate duplicates Z: 78 94.740 2.554 0.883 0.658 0.961 0.636 CB 2.018 78 residues pruned to eliminate duplicates Z: 45 66.719 2.477 0.827 0.664 0.955 0.545 C 1.999 45 residues pruned to eliminate duplicates Z: 92 100.900 2.535 0.863 0.659 0.956 0.670 CB 2.022 92 residues pruned to eliminate duplicates Z: 58 70.883 2.445 0.936 0.574 0.930 0.614 C 1.987 58 residues pruned to eliminate duplicates Z: 40 68.661 2.437 1.003 0.692 0.949 0.590 C 1.992 40 residues pruned to eliminate duplicates Z: 22 34.204 2.284 1.042 0.556 0.857 0.667 C 1.768 22 residues pruned to eliminate duplicates Z: 45 57.035 2.459 0.696 0.628 0.909 0.614 C 2.010 45 residues pruned to eliminate duplicates Z: 56 69.841 2.405 0.861 0.628 0.945 0.655 C 1.972 56 residues pruned to eliminate duplicates Z: 58 68.667 2.419 0.883 0.606 0.930 0.684 C 1.942 58 residues pruned to eliminate duplicates Z: 91 86.552 2.434 0.865 0.597 0.956 0.633 CB 1.918 91 residues pruned to eliminate duplicates Z: 43 62.614 2.518 0.719 0.672 0.952 0.714 CB 2.000 43 residues pruned to eliminate duplicates Z: 91 94.644 2.517 0.823 0.634 0.978 0.678 CB 1.961 91 residues pruned to eliminate duplicates Z: 22 35.942 2.324 0.887 0.563 0.905 0.667 C 1.859 22 residues pruned to eliminate duplicates Z: 25 32.087 2.108 0.816 0.533 1.000 0.750 CB 1.656 25 residues pruned to eliminate duplicates Z: 46 40.508 2.203 0.557 0.547 0.956 0.622 CB 1.759 46 residues pruned to eliminate duplicates Z: 89 80.630 2.464 0.786 0.571 0.932 0.670 CB 1.957 89 residues pruned to eliminate duplicates Z: 24 37.555 2.295 0.812 0.562 0.957 0.783 C 1.853 24 residues pruned to eliminate duplicates Z: 52 67.205 2.454 0.831 0.653 0.922 0.647 CB 1.972 52 residues pruned to eliminate duplicates Z: 59 67.093 2.382 0.884 0.601 0.948 0.690 CB 1.881 59 residues pruned to eliminate duplicates Z: 45 57.478 2.373 0.787 0.657 0.909 0.659 CB 1.943 45 residues pruned to eliminate duplicates 326 residues left after pruning, divided into chains as follows: A: 326 CC for partial structure against native data = 36.86 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.415, Connect. = 0.770 for dens.mod. cycle 1 = 0.300, Contrast = 0.478, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.572, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 0.589, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 0.606, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 0.618, Connect. = 0.835 for dens.mod. cycle 6 = 0.300, Contrast = 0.629, Connect. = 0.837 for dens.mod. cycle 7 = 0.300, Contrast = 0.637, Connect. = 0.839 for dens.mod. cycle 8 = 0.300, Contrast = 0.645, Connect. = 0.840 for dens.mod. cycle 9 = 0.300, Contrast = 0.651, Connect. = 0.840 for dens.mod. cycle 10 TimeTaking 183.17