++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:39:37 on 15 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: ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.ins Phases from ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phi Native data from ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.hkl Listing output to ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.lst Phases output to ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phs Poly-Ala trace output to ./2a2m-1.9-parrot-noncs/2a2m-1.9-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: F 4 3 2 Allowed origin shift code: 14 74704 Reflections read from file ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phi 74704 Reflections read from file ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.hkl 74704 Unique data, highest resolution = 1.880 Angstroms Anisotropic scaling: intensities multiplied by 0.000000h^2 +0.000000k^2 +0.000000l^2 +0.000000kl +0.000000hl +0.000000hk 74 Reflections with d > 2.080 and 0 in range 2.080 > d > 1.880 added Density sharpening factor set to 0.93 Fourier grid = 512 x 512 x 129 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.721 = 0.300, Contrast = 0.554, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.740, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 1.087, Connect. = 0.797 for dens.mod. cycle 3 = 0.300, Contrast = 1.228, Connect. = 0.814 for dens.mod. cycle 4 = 0.300, Contrast = 1.292, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 1.322, Connect. = 0.829 for dens.mod. cycle 6 = 0.300, Contrast = 1.336, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.341, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.342, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 1.340, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2840 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 619 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 64.990 2.480 1.368 0.882 1.000 0.810 CA 1.747 B: 12 32.239 2.373 0.910 0.825 1.000 0.818 CA 1.618 C: 11 21.206 2.254 0.689 0.804 0.900 0.900 CB 1.502 D: 22 56.180 2.453 1.148 0.872 1.000 0.667 CA 1.696 E: 10 30.916 2.479 1.187 0.851 0.889 0.556 CB 1.583 F: 25 75.589 2.533 1.261 0.936 0.958 0.875 CA 1.957 G: 25 78.880 2.533 1.378 0.941 0.958 0.958 CB 1.936 25 residues pruned to eliminate duplicates H: 21 60.914 2.517 1.298 0.872 1.000 0.650 CA 1.716 21 residues pruned to eliminate duplicates I: 26 67.553 2.440 1.229 0.940 0.960 0.800 CB 1.796 J: 18 56.244 2.370 1.428 0.900 1.000 0.882 CB 1.693 K: 20 62.577 2.567 1.309 0.878 1.000 0.684 CB 1.758 20 residues pruned to eliminate duplicates L: 26 82.568 2.450 1.561 0.940 1.000 0.680 CA 1.827 26 residues pruned to eliminate duplicates M: 11 28.555 2.472 0.842 0.790 1.000 0.800 CB 1.537 11 residues pruned to eliminate duplicates N: 25 88.171 2.543 1.732 0.923 0.958 0.583 CB 1.900 25 residues pruned to eliminate duplicates O: 25 81.904 2.567 1.542 0.920 0.958 0.708 CB 1.883 26 residues pruned to eliminate duplicates P: 25 65.767 2.537 1.369 0.948 0.958 0.625 CB 1.609 Q: 24 56.770 2.440 1.483 0.922 0.957 0.739 CB 1.437 R: 25 82.008 2.561 1.386 0.949 0.958 0.667 CB 1.973 25 residues pruned to eliminate duplicates S: 28 54.428 2.430 1.011 0.831 0.889 0.778 CA 1.812 T: 12 25.404 2.262 0.791 0.865 0.909 0.818 CB 1.523 11 residues pruned to eliminate duplicates U: 28 57.557 2.385 1.236 0.789 0.926 0.667 CA 1.741 V: 22 55.274 2.429 1.085 0.874 1.000 0.762 CA 1.733 22 residues pruned to eliminate duplicates W: 26 74.123 2.448 1.344 0.919 1.000 0.560 CB 1.820 26 residues pruned to eliminate duplicates X: 26 64.104 2.476 1.047 0.946 0.960 0.880 CA 1.821 26 residues pruned to eliminate duplicates Y: 18 56.617 2.432 1.228 0.917 1.000 0.882 CB 1.789 18 residues pruned to eliminate duplicates Z: 26 71.885 2.459 1.448 0.904 0.920 0.680 CB 1.850 26 residues pruned to eliminate duplicates Z: 17 58.905 2.578 1.378 0.912 1.000 0.875 CB 1.701 Z: 12 24.039 2.206 0.892 0.837 0.909 0.818 CB 1.429 12 residues pruned to eliminate duplicates Z: 24 79.617 2.557 1.471 0.942 0.957 0.696 CB 1.905 24 residues pruned to eliminate duplicates Z: 26 60.479 2.408 1.083 0.897 0.960 0.840 CB 1.798 26 residues pruned to eliminate duplicates Z: 31 49.339 2.435 0.591 0.917 0.967 0.900 CB 1.698 25 residues pruned to eliminate duplicates Z: 10 41.862 2.540 1.417 0.898 1.000 0.889 CB 1.626 11 residues pruned to eliminate duplicates Z: 23 49.579 2.354 1.116 0.847 0.955 0.818 CA 1.651 23 residues pruned to eliminate duplicates Z: 23 60.868 2.344 1.364 0.848 1.000 0.591 CB 1.737 22 residues pruned to eliminate duplicates Z: 22 42.764 2.396 1.119 0.798 0.905 0.619 CB 1.565 23 residues pruned to eliminate duplicates Z: 31 57.340 2.416 0.932 0.944 0.967 0.900 CB 1.606 23 residues pruned to eliminate duplicates Z: 27 72.519 2.418 1.460 0.920 0.923 0.538 CA 1.825 27 residues pruned to eliminate duplicates Z: 22 55.152 2.423 1.145 0.879 1.000 0.810 CA 1.679 21 residues pruned to eliminate duplicates Z: 11 38.430 2.320 1.151 0.878 1.000 1.000 CB 1.768 11 residues pruned to eliminate duplicates Z: 18 46.714 2.350 1.116 0.900 0.941 0.824 CB 1.729 18 residues pruned to eliminate duplicates Z: 26 75.734 2.447 1.383 0.914 1.000 0.680 CA 1.838 26 residues pruned to eliminate duplicates Z: 32 51.665 2.369 0.813 0.951 0.968 0.935 CB 1.539 31 residues pruned to eliminate duplicates Z: 18 39.572 2.283 1.080 0.897 1.000 0.941 CB 1.447 Z: 28 73.951 2.332 1.456 0.936 0.963 0.852 CB 1.797 28 residues pruned to eliminate duplicates Z: 19 55.194 2.404 1.315 0.936 1.000 0.889 CB 1.628 18 residues pruned to eliminate duplicates Z: 22 51.558 2.423 1.067 0.873 1.000 0.857 CA 1.636 22 residues pruned to eliminate duplicates Z: 18 47.074 2.299 1.101 0.907 1.000 0.882 CB 1.679 18 residues pruned to eliminate duplicates Z: 32 54.765 2.357 0.976 0.938 0.968 0.839 CB 1.518 32 residues pruned to eliminate duplicates Z: 24 75.056 2.501 1.421 0.946 1.000 0.609 CB 1.788 24 residues pruned to eliminate duplicates Z: 29 53.113 2.468 0.804 0.932 1.000 0.786 CB 1.574 29 residues pruned to eliminate duplicates Z: 26 62.655 2.484 1.080 0.896 0.920 0.880 CA 1.888 26 residues pruned to eliminate duplicates Z: 26 54.389 2.411 0.831 0.930 0.960 0.880 CB 1.795 26 residues pruned to eliminate duplicates Z: 118 114.437 2.467 1.179 0.705 0.966 0.752 CB 1.691 65 residues pruned to eliminate duplicates Z: 31 45.695 2.387 0.588 0.929 0.967 0.933 CB 1.594 31 residues pruned to eliminate duplicates Z: 22 57.854 2.447 1.161 0.903 1.000 0.857 CA 1.701 22 residues pruned to eliminate duplicates Z: 23 56.173 2.352 1.229 0.875 0.955 0.591 CB 1.740 22 residues pruned to eliminate duplicates Z: 19 67.008 2.373 1.664 0.892 1.000 0.444 CB 1.794 18 residues pruned to eliminate duplicates Z: 10 36.353 2.506 0.939 0.822 1.000 0.778 CB 1.885 Z: 31 68.352 2.453 1.247 0.952 1.000 0.733 CB 1.559 33 residues pruned to eliminate duplicates Z: 29 60.072 2.344 1.208 0.924 0.964 0.821 CB 1.597 29 residues pruned to eliminate duplicates Z: 18 49.494 2.356 1.140 0.948 1.000 0.765 CB 1.643 18 residues pruned to eliminate duplicates Z: 22 57.347 2.469 1.106 0.871 1.000 0.762 CA 1.755 22 residues pruned to eliminate duplicates Z: 16 37.915 2.383 0.806 0.852 0.933 0.800 CB 1.803 16 residues pruned to eliminate duplicates Z: 27 54.148 2.439 0.875 0.869 0.962 0.769 CA 1.764 28 residues pruned to eliminate duplicates Z: 27 60.849 2.484 0.913 0.861 1.000 0.846 CB 1.845 28 residues pruned to eliminate duplicates Z: 29 65.995 2.286 1.404 0.927 0.929 0.607 CB 1.713 Z: 11 26.839 2.440 0.805 0.731 0.900 0.700 CA 1.740 11 residues pruned to eliminate duplicates Z: 12 32.105 2.261 1.151 0.830 0.909 0.636 CB 1.645 10 residues pruned to eliminate duplicates Z: 25 84.102 2.562 1.478 0.943 0.958 0.625 CB 1.955 25 residues pruned to eliminate duplicates Z: 19 68.564 2.427 1.647 0.925 1.000 0.611 CB 1.765 19 residues pruned to eliminate duplicates Z: 19 46.689 2.293 1.224 0.855 1.000 0.778 CA 1.593 19 residues pruned to eliminate duplicates Z: 22 54.505 2.455 1.121 0.852 1.000 0.714 CA 1.690 22 residues pruned to eliminate duplicates Z: 18 60.026 2.509 1.250 0.939 1.000 1.000 CB 1.791 18 residues pruned to eliminate duplicates Z: 22 52.073 2.536 1.231 0.950 0.905 0.857 CB 1.530 22 residues pruned to eliminate duplicates Z: 18 54.465 2.421 1.423 0.897 0.941 0.706 CB 1.713 19 residues pruned to eliminate duplicates Z: 18 47.848 2.367 1.003 0.904 1.000 0.765 CB 1.743 18 residues pruned to eliminate duplicates Z: 14 43.215 2.496 1.184 0.929 0.923 0.923 CB 1.666 14 residues pruned to eliminate duplicates Z: 26 72.373 2.433 1.412 0.907 0.960 0.600 CB 1.827 26 residues pruned to eliminate duplicates Z: 27 72.251 2.420 1.459 0.888 0.923 0.500 CB 1.859 27 residues pruned to eliminate duplicates Z: 32 54.212 2.410 0.919 0.880 0.968 0.871 CB 1.576 32 residues pruned to eliminate duplicates Z: 27 57.504 2.478 1.116 0.849 0.962 0.577 CB 1.658 27 residues pruned to eliminate duplicates Z: 28 52.136 2.432 1.134 0.918 0.889 0.778 CB 1.535 28 residues pruned to eliminate duplicates Z: 18 53.737 2.480 1.099 0.926 1.000 0.882 CB 1.756 18 residues pruned to eliminate duplicates Z: 61 87.304 2.511 1.189 0.746 0.950 0.717 CB 1.732 60 residues pruned to eliminate duplicates Z: 29 51.807 2.452 0.896 0.926 0.964 0.929 CB 1.532 29 residues pruned to eliminate duplicates Z: 22 50.943 2.445 1.004 0.861 1.000 0.714 CA 1.667 22 residues pruned to eliminate duplicates Z: 30 79.485 2.534 1.634 0.929 1.000 0.690 CB 1.548 30 residues pruned to eliminate duplicates Z: 30 72.788 2.484 1.649 0.928 0.931 0.379 CB 1.545 30 residues pruned to eliminate duplicates Z: 11 30.104 2.456 0.790 0.830 1.000 0.900 CB 1.628 11 residues pruned to eliminate duplicates Z: 31 75.096 2.512 1.431 0.930 0.967 0.500 CB 1.624 31 residues pruned to eliminate duplicates Z: 31 79.080 2.449 1.723 0.919 1.000 0.567 CB 1.526 31 residues pruned to eliminate duplicates Z: 20 45.841 2.284 1.060 0.912 1.000 0.895 CB 1.583 20 residues pruned to eliminate duplicates Z: 25 86.488 2.538 1.698 0.901 1.000 0.667 CB 1.840 25 residues pruned to eliminate duplicates Z: 25 70.034 2.472 1.258 0.933 1.000 1.000 CA 1.787 25 residues pruned to eliminate duplicates Z: 17 43.027 2.482 0.867 0.925 1.000 1.000 CB 1.628 17 residues pruned to eliminate duplicates Z: 25 72.621 2.487 1.319 0.913 0.958 0.833 CA 1.898 25 residues pruned to eliminate duplicates Z: 18 31.171 2.254 0.740 0.852 1.000 0.706 CB 1.426 18 residues pruned to eliminate duplicates Z: 25 78.245 2.496 1.325 0.944 1.000 0.708 CB 1.907 25 residues pruned to eliminate duplicates Z: 29 62.341 2.300 1.143 0.925 1.000 0.714 CB 1.677 29 residues pruned to eliminate duplicates Z: 26 70.234 2.478 1.301 0.909 0.920 0.840 CA 1.900 26 residues pruned to eliminate duplicates Z: 25 82.183 2.478 1.570 0.926 1.000 0.708 CB 1.848 25 residues pruned to eliminate duplicates Z: 12 27.530 2.319 0.771 0.724 1.000 0.455 CB 1.651 12 residues pruned to eliminate duplicates Z: 21 61.325 2.528 1.252 0.875 0.950 0.700 CB 1.844 21 residues pruned to eliminate duplicates Z: 22 57.594 2.439 1.201 0.891 1.000 0.762 CB 1.683 22 residues pruned to eliminate duplicates Z: 32 70.715 2.390 1.513 0.909 0.935 0.516 CB 1.604 32 residues pruned to eliminate duplicates Z: 28 56.033 2.433 1.066 0.810 0.889 0.556 CB 1.842 28 residues pruned to eliminate duplicates Z: 25 58.908 2.455 1.088 0.947 0.958 0.833 CB 1.692 25 residues pruned to eliminate duplicates Z: 26 52.767 2.454 0.989 0.817 0.960 0.680 CB 1.711 26 residues pruned to eliminate duplicates Z: 32 58.110 2.405 1.077 0.888 0.935 0.839 CB 1.610 32 residues pruned to eliminate duplicates Z: 32 70.250 2.424 1.444 0.907 0.935 0.581 CB 1.619 32 residues pruned to eliminate duplicates Z: 21 57.314 2.510 1.237 0.866 1.000 0.750 CA 1.672 21 residues pruned to eliminate duplicates Z: 12 35.765 2.368 1.095 0.837 1.000 0.818 CA 1.625 11 residues pruned to eliminate duplicates Z: 26 66.277 2.435 1.162 0.924 0.960 0.920 CA 1.842 26 residues pruned to eliminate duplicates Z: 28 47.269 2.376 0.925 0.763 0.889 0.630 CB 1.772 28 residues pruned to eliminate duplicates Z: 10 36.492 2.540 0.892 0.815 1.000 0.889 CB 1.925 11 residues pruned to eliminate duplicates Z: 19 68.093 2.413 1.682 0.888 1.000 0.611 CB 1.787 19 residues pruned to eliminate duplicates Z: 28 65.024 2.423 1.443 0.934 0.963 0.815 CB 1.530 28 residues pruned to eliminate duplicates Z: 32 68.736 2.439 1.425 0.949 0.935 0.806 CB 1.540 32 residues pruned to eliminate duplicates Z: 28 60.150 2.441 1.186 0.929 0.926 0.778 CB 1.639 28 residues pruned to eliminate duplicates Z: 28 58.185 2.344 1.009 0.914 0.963 0.889 CB 1.747 28 residues pruned to eliminate duplicates Z: 26 71.246 2.473 1.283 0.920 0.960 0.880 CA 1.851 26 residues pruned to eliminate duplicates Z: 26 50.997 2.339 1.023 0.850 0.920 0.680 CB 1.736 26 residues pruned to eliminate duplicates Z: 26 52.865 2.393 1.022 0.940 0.960 0.840 CB 1.581 26 residues pruned to eliminate duplicates Z: 12 28.432 2.296 0.799 0.881 1.000 0.909 CB 1.503 12 residues pruned to eliminate duplicates Z: 32 64.935 2.359 1.327 0.928 0.968 0.742 CB 1.537 32 residues pruned to eliminate duplicates Z: 29 52.306 2.302 1.126 0.881 0.893 0.643 CB 1.638 29 residues pruned to eliminate duplicates Z: 28 51.779 2.418 1.086 0.790 0.889 0.519 CB 1.723 28 residues pruned to eliminate duplicates Z: 11 36.554 2.348 1.442 0.905 0.900 0.800 CB 1.594 11 residues pruned to eliminate duplicates Z: 27 66.858 2.483 1.554 0.924 0.885 0.654 CB 1.641 30 residues pruned to eliminate duplicates Z: 27 75.043 2.493 1.541 0.933 1.000 0.462 CB 1.621 26 residues pruned to eliminate duplicates Z: 31 68.743 2.465 1.325 0.951 0.967 0.800 CB 1.562 31 residues pruned to eliminate duplicates Z: 100 96.265 2.478 1.034 0.684 0.960 0.737 CB 1.689 100 residues pruned to eliminate duplicates Z: 11 43.318 2.349 1.542 0.880 1.000 0.800 CB 1.662 11 residues pruned to eliminate duplicates Z: 28 67.485 2.447 1.389 0.926 0.963 0.630 CB 1.618 28 residues pruned to eliminate duplicates Z: 26 67.854 2.474 1.306 0.928 0.920 0.880 CA 1.811 26 residues pruned to eliminate duplicates Z: 33 49.051 2.362 0.762 0.883 0.969 0.938 CB 1.556 33 residues pruned to eliminate duplicates Z: 27 70.840 2.432 1.351 0.869 1.000 0.885 CA 1.776 27 residues pruned to eliminate duplicates Z: 118 110.792 2.429 1.152 0.710 0.957 0.701 CB 1.692 93 residues pruned to eliminate duplicates Z: 27 81.498 2.536 1.556 0.953 1.000 0.731 CB 1.697 28 residues pruned to eliminate duplicates Z: 26 63.600 2.545 1.060 0.868 0.960 0.640 CB 1.847 26 residues pruned to eliminate duplicates Z: 22 54.069 2.374 1.156 0.872 1.000 0.667 CB 1.679 22 residues pruned to eliminate duplicates Z: 20 55.715 2.232 1.608 0.862 0.947 0.737 CB 1.702 19 residues pruned to eliminate duplicates Z: 22 56.510 2.472 1.238 0.862 1.000 0.810 CA 1.636 22 residues pruned to eliminate duplicates Z: 29 47.259 2.298 0.929 0.802 0.929 0.679 CA 1.667 29 residues pruned to eliminate duplicates Z: 27 66.913 2.471 1.331 0.921 0.962 0.808 CB 1.667 27 residues pruned to eliminate duplicates Z: 25 79.085 2.516 1.564 0.935 0.917 0.750 CB 1.903 25 residues pruned to eliminate duplicates Z: 28 46.283 2.366 1.152 0.818 0.778 0.519 CB 1.707 28 residues pruned to eliminate duplicates Z: 18 56.651 2.370 1.279 0.913 1.000 0.824 CB 1.800 18 residues pruned to eliminate duplicates Z: 30 56.173 2.220 1.199 0.901 0.966 0.690 CB 1.579 30 residues pruned to eliminate duplicates Z: 26 61.009 2.414 1.091 0.944 0.920 0.800 CB 1.819 26 residues pruned to eliminate duplicates Z: 22 62.151 2.455 1.212 0.879 1.000 0.762 CB 1.811 22 residues pruned to eliminate duplicates Z: 21 62.424 2.498 1.296 0.902 1.000 0.550 CA 1.736 21 residues pruned to eliminate duplicates Z: 28 59.093 2.469 1.262 0.917 0.963 0.815 CB 1.493 28 residues pruned to eliminate duplicates Z: 19 33.336 2.272 1.084 0.822 0.889 0.556 CB 1.412 Z: 29 60.069 2.268 1.186 0.923 0.964 0.571 CB 1.669 29 residues pruned to eliminate duplicates Z: 31 70.941 2.464 1.475 0.952 0.967 0.533 CB 1.513 31 residues pruned to eliminate duplicates Z: 21 44.580 2.463 1.204 0.788 0.800 0.600 CB 1.782 21 residues pruned to eliminate duplicates Z: 10 23.579 2.148 0.713 0.852 1.000 0.889 CA 1.580 10 residues pruned to eliminate duplicates Z: 18 61.261 2.443 1.487 0.874 1.000 0.765 CB 1.780 18 residues pruned to eliminate duplicates Z: 22 57.712 2.390 1.122 0.868 1.000 0.810 CB 1.816 22 residues pruned to eliminate duplicates Z: 18 32.213 2.286 0.739 0.860 1.000 0.824 CB 1.445 18 residues pruned to eliminate duplicates Z: 25 67.435 2.509 1.086 0.919 0.958 0.917 CA 1.933 25 residues pruned to eliminate duplicates Z: 15 33.297 2.354 1.240 0.720 0.857 0.571 CB 1.614 15 residues pruned to eliminate duplicates Z: 22 55.316 2.379 1.345 0.882 0.952 0.762 CA 1.643 22 residues pruned to eliminate duplicates Z: 31 71.135 2.438 1.534 0.943 0.967 0.467 CB 1.507 31 residues pruned to eliminate duplicates Z: 17 50.272 2.423 1.129 0.945 1.000 0.938 CA 1.686 17 residues pruned to eliminate duplicates Z: 29 61.409 2.377 1.457 0.900 0.929 0.536 CB 1.529 29 residues pruned to eliminate duplicates Z: 19 54.651 2.334 1.271 0.907 1.000 0.722 CB 1.727 19 residues pruned to eliminate duplicates Z: 22 55.549 2.445 1.116 0.902 1.000 0.810 CA 1.672 22 residues pruned to eliminate duplicates Z: 28 54.856 2.424 1.120 0.762 0.889 0.519 CB 1.831 28 residues pruned to eliminate duplicates Z: 28 55.093 2.421 0.996 0.821 0.926 0.593 CA 1.795 27 residues pruned to eliminate duplicates Z: 27 55.924 2.441 1.053 0.841 0.923 0.731 CB 1.767 27 residues pruned to eliminate duplicates Z: 11 17.078 2.126 0.589 0.889 0.900 0.700 CB 1.279 11 residues pruned to eliminate duplicates Z: 17 64.219 2.553 1.468 0.926 0.938 0.500 CB 1.906 17 residues pruned to eliminate duplicates Z: 31 50.257 2.405 0.720 0.941 0.967 0.933 CB 1.593 31 residues pruned to eliminate duplicates Z: 27 62.944 2.478 1.152 0.935 0.962 0.692 CB 1.678 27 residues pruned to eliminate duplicates Z: 11 38.496 2.577 1.098 0.923 1.000 0.700 CB 1.582 11 residues pruned to eliminate duplicates Z: 28 63.349 2.454 1.591 0.925 0.889 0.481 CB 1.514 28 residues pruned to eliminate duplicates Z: 19 63.080 2.377 1.632 0.905 1.000 0.778 CB 1.691 19 residues pruned to eliminate duplicates Z: 30 65.422 2.473 1.591 0.937 0.862 0.586 CB 1.531 30 residues pruned to eliminate duplicates Z: 27 61.268 2.426 1.082 0.883 0.962 0.615 CB 1.789 27 residues pruned to eliminate duplicates Z: 29 55.177 2.354 1.089 0.803 0.929 0.679 CA 1.752 29 residues pruned to eliminate duplicates Z: 21 59.192 2.492 1.215 0.870 1.000 0.800 CB 1.750 21 residues pruned to eliminate duplicates Z: 32 74.159 2.398 1.683 0.945 0.968 0.387 CB 1.480 32 residues pruned to eliminate duplicates Z: 10 36.481 2.582 0.925 0.905 1.000 0.778 CB 1.741 10 residues pruned to eliminate duplicates Z: 28 55.885 2.377 1.009 0.866 0.963 0.741 CA 1.712 28 residues pruned to eliminate duplicates Z: 6 6.365 1.963 0.185 0.836 1.000 0.800 CB 0.916 Z: 22 59.281 2.404 1.249 0.850 1.000 0.762 CA 1.773 22 residues pruned to eliminate duplicates Z: 26 75.424 2.427 1.652 0.932 0.960 0.760 CB 1.705 26 residues pruned to eliminate duplicates Z: 31 65.590 2.450 1.253 0.943 0.967 0.567 CB 1.556 31 residues pruned to eliminate duplicates Z: 31 70.684 2.476 1.384 0.943 0.967 0.600 CB 1.567 31 residues pruned to eliminate duplicates Z: 26 65.601 2.498 1.384 0.917 0.920 0.720 CB 1.691 26 residues pruned to eliminate duplicates Z: 24 52.849 2.330 1.120 0.888 0.913 0.522 CB 1.760 27 residues pruned to eliminate duplicates Z: 10 26.889 2.474 0.685 0.893 0.889 0.889 CB 1.737 10 residues pruned to eliminate duplicates Z: 27 73.578 2.500 1.464 0.932 1.000 0.692 CB 1.636 27 residues pruned to eliminate duplicates Z: 18 51.654 2.400 1.102 0.917 1.000 0.882 CB 1.752 18 residues pruned to eliminate duplicates Z: 115 127.035 2.471 1.402 0.724 0.974 0.649 CB 1.683 112 residues pruned to eliminate duplicates Z: 22 50.672 2.413 1.076 0.859 0.952 0.762 CA 1.706 22 residues pruned to eliminate duplicates Z: 30 71.671 2.451 1.588 0.950 1.000 0.310 CB 1.447 30 residues pruned to eliminate duplicates Z: 28 58.791 2.372 1.121 0.922 0.926 0.704 CB 1.708 28 residues pruned to eliminate duplicates Z: 28 65.280 2.416 1.138 0.853 1.000 0.704 CB 1.798 27 residues pruned to eliminate duplicates Z: 26 59.781 2.420 1.022 0.937 0.960 0.880 CA 1.771 26 residues pruned to eliminate duplicates Z: 7 7.804 1.977 0.344 0.878 1.000 1.000 CB 0.870 Z: 18 30.547 2.233 0.767 0.818 1.000 0.765 CB 1.424 18 residues pruned to eliminate duplicates Z: 28 66.102 2.369 1.360 0.910 0.963 0.481 CB 1.675 28 residues pruned to eliminate duplicates Z: 18 40.893 2.301 1.200 0.873 1.000 0.824 CB 1.427 19 residues pruned to eliminate duplicates Z: 29 42.147 2.265 0.845 0.784 0.929 0.571 CA 1.598 29 residues pruned to eliminate duplicates Z: 38 53.053 2.378 1.232 0.640 0.892 0.676 CB 1.615 38 residues pruned to eliminate duplicates Z: 7 10.560 1.991 0.625 0.678 0.833 0.833 CB 1.357 7 residues pruned to eliminate duplicates Z: 25 85.704 2.496 1.580 0.936 1.000 0.500 CB 1.892 25 residues pruned to eliminate duplicates Z: 24 86.946 2.544 1.653 0.940 1.000 0.783 CB 1.865 24 residues pruned to eliminate duplicates Z: 28 55.221 2.342 0.863 0.923 0.963 0.815 CB 1.778 28 residues pruned to eliminate duplicates Z: 18 52.720 2.429 1.185 0.904 1.000 0.765 CB 1.716 18 residues pruned to eliminate duplicates Z: 27 63.545 2.500 1.316 0.941 0.923 0.577 CB 1.618 27 residues pruned to eliminate duplicates Z: 8 5.504 1.770 0.424 0.875 1.000 0.857 CB 0.601 8 residues pruned to eliminate duplicates Z: 18 29.040 2.247 0.700 0.848 0.941 0.765 CB 1.453 18 residues pruned to eliminate duplicates Z: 185 144.315 2.447 1.282 0.704 0.957 0.625 CB 1.655 185 residues pruned to eliminate duplicates Z: 27 59.100 2.479 1.546 0.931 0.846 0.385 CB 1.517 27 residues pruned to eliminate duplicates Z: 18 42.449 2.297 1.216 0.889 1.000 0.824 CB 1.456 18 residues pruned to eliminate duplicates Z: 25 82.033 2.522 1.552 0.955 0.958 0.792 CB 1.865 25 residues pruned to eliminate duplicates Z: 31 58.243 2.396 1.363 0.935 0.900 0.633 CB 1.454 31 residues pruned to eliminate duplicates Z: 22 61.393 2.509 1.460 0.934 1.000 0.667 CB 1.514 22 residues pruned to eliminate duplicates Z: 21 50.373 2.519 0.993 0.879 0.950 0.900 CA 1.713 21 residues pruned to eliminate duplicates Z: 22 60.948 2.452 1.224 0.897 1.000 0.714 CB 1.746 22 residues pruned to eliminate duplicates Z: 18 32.649 2.216 1.327 0.814 0.941 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 26 58.287 2.343 1.233 0.945 0.920 0.560 CB 1.676 26 residues pruned to eliminate duplicates Z: 19 37.402 2.241 0.888 0.874 1.000 0.722 CB 1.516 18 residues pruned to eliminate duplicates Z: 18 39.083 2.283 1.302 0.845 0.941 0.824 CB 1.424 18 residues pruned to eliminate duplicates Z: 31 60.057 2.475 1.100 0.889 0.933 0.800 CB 1.628 31 residues pruned to eliminate duplicates Z: 28 49.105 2.383 1.029 0.831 0.815 0.630 CA 1.802 28 residues pruned to eliminate duplicates Z: 28 53.333 2.402 1.132 0.806 0.889 0.593 CB 1.726 28 residues pruned to eliminate duplicates Z: 27 51.190 2.350 0.854 0.902 0.962 0.692 CB 1.709 27 residues pruned to eliminate duplicates Z: 28 49.661 2.397 0.943 0.823 0.889 0.667 CB 1.745 28 residues pruned to eliminate duplicates Z: 27 57.820 2.364 0.956 0.917 0.962 0.923 CA 1.799 27 residues pruned to eliminate duplicates Z: 20 31.158 2.166 1.005 0.807 0.947 0.526 CB 1.329 20 residues pruned to eliminate duplicates Z: 28 59.198 2.377 1.066 0.843 0.963 0.778 CA 1.794 28 residues pruned to eliminate duplicates Z: 6 12.238 2.157 0.668 0.641 0.800 0.800 CA 1.666 6 residues pruned to eliminate duplicates Z: 14 30.055 2.234 1.370 0.930 0.846 0.538 CB 1.301 14 residues pruned to eliminate duplicates Z: 26 80.124 2.491 1.446 0.935 0.960 0.760 CB 1.909 26 residues pruned to eliminate duplicates Z: 12 22.292 2.187 0.769 0.849 0.909 0.909 CB 1.417 12 residues pruned to eliminate duplicates Z: 11 34.102 2.328 1.056 0.836 1.000 0.700 CA 1.687 11 residues pruned to eliminate duplicates Z: 22 48.209 2.561 0.929 0.858 0.905 0.619 CB 1.733 22 residues pruned to eliminate duplicates Z: 28 51.570 2.426 0.968 0.827 0.926 0.519 CB 1.692 28 residues pruned to eliminate duplicates Z: 24 59.257 2.516 0.890 0.949 1.000 0.913 CA 1.794 24 residues pruned to eliminate duplicates Z: 10 29.169 2.388 0.781 0.912 0.889 0.778 CB 1.820 10 residues pruned to eliminate duplicates Z: 27 66.949 2.404 1.366 0.930 0.923 0.385 CB 1.750 27 residues pruned to eliminate duplicates Z: 28 62.302 2.439 1.377 0.917 0.926 0.630 CB 1.577 27 residues pruned to eliminate duplicates Z: 172 132.371 2.471 1.064 0.740 0.942 0.696 CB 1.700 172 residues pruned to eliminate duplicates Z: 28 56.137 2.426 1.097 0.867 0.889 0.667 CA 1.748 28 residues pruned to eliminate duplicates Z: 18 37.485 2.247 1.170 0.868 1.000 0.647 CB 1.363 18 residues pruned to eliminate duplicates Z: 25 60.133 2.440 1.130 0.841 0.958 0.542 CA 1.838 25 residues pruned to eliminate duplicates Z: 26 56.200 2.319 0.939 0.936 1.000 0.880 CA 1.741 26 residues pruned to eliminate duplicates Z: 26 61.246 2.430 0.980 0.925 1.000 0.920 CA 1.787 26 residues pruned to eliminate duplicates Z: 19 30.966 2.256 0.836 0.843 0.944 0.778 CB 1.390 19 residues pruned to eliminate duplicates Z: 100 123.712 2.451 1.399 0.775 0.980 0.697 CB 1.692 100 residues pruned to eliminate duplicates Z: 28 57.111 2.344 1.046 0.882 0.963 0.741 CB 1.723 28 residues pruned to eliminate duplicates Z: 21 43.156 2.359 0.864 0.895 0.900 0.650 CB 1.748 21 residues pruned to eliminate duplicates Z: 17 24.095 2.314 0.599 0.592 0.875 0.625 CB 1.704 17 residues pruned to eliminate duplicates Z: 24 73.146 2.545 1.424 0.950 0.913 0.565 CB 1.868 24 residues pruned to eliminate duplicates Z: 11 27.806 2.246 0.983 0.859 1.000 0.800 CB 1.453 11 residues pruned to eliminate duplicates Z: 27 57.298 2.376 1.009 0.908 0.923 0.846 CA 1.812 27 residues pruned to eliminate duplicates Z: 28 65.756 2.421 1.225 0.829 1.000 0.630 CA 1.767 28 residues pruned to eliminate duplicates Z: 183 151.524 2.499 1.259 0.709 0.962 0.632 CB 1.712 180 residues pruned to eliminate duplicates Z: 31 48.478 2.376 0.734 0.920 0.967 0.900 CB 1.565 31 residues pruned to eliminate duplicates Z: 112 102.651 2.446 1.155 0.668 0.964 0.748 CB 1.642 112 residues pruned to eliminate duplicates Z: 22 51.244 2.416 1.137 0.846 0.952 0.810 CA 1.689 22 residues pruned to eliminate duplicates Z: 31 60.072 2.399 1.450 0.896 0.933 0.467 CB 1.433 31 residues pruned to eliminate duplicates Z: 14 32.191 2.443 0.499 0.934 1.000 1.000 CB 1.700 14 residues pruned to eliminate duplicates Z: 21 58.851 2.464 1.182 0.872 1.000 0.850 CA 1.784 21 residues pruned to eliminate duplicates Z: 17 32.790 2.305 0.708 0.836 0.938 0.625 CB 1.662 17 residues pruned to eliminate duplicates Z: 26 60.040 2.380 1.069 0.899 0.960 0.720 CA 1.815 26 residues pruned to eliminate duplicates Z: 27 45.847 2.390 1.086 0.805 0.808 0.462 CB 1.710 27 residues pruned to eliminate duplicates Z: 26 61.309 2.445 1.201 0.905 0.920 0.880 CA 1.763 26 residues pruned to eliminate duplicates Z: 24 62.391 2.489 1.061 0.903 0.957 0.870 CB 1.889 24 residues pruned to eliminate duplicates Z: 127 117.400 2.400 1.339 0.689 0.968 0.563 CB 1.619 127 residues pruned to eliminate duplicates Z: 28 50.181 2.431 0.895 0.803 0.889 0.593 CA 1.811 28 residues pruned to eliminate duplicates Z: 28 53.609 2.432 1.004 0.823 0.889 0.630 CA 1.800 28 residues pruned to eliminate duplicates Z: 11 20.646 2.307 0.576 0.828 0.800 0.500 CB 1.690 11 residues pruned to eliminate duplicates Z: 23 61.950 2.502 1.469 0.923 0.955 0.318 CB 1.575 23 residues pruned to eliminate duplicates Z: 16 54.395 2.513 1.268 0.905 0.933 0.667 CB 1.879 16 residues pruned to eliminate duplicates Z: 134 134.432 2.478 1.362 0.742 0.977 0.609 CB 1.641 145 residues pruned to eliminate duplicates Z: 26 59.383 2.396 1.013 0.944 1.000 1.000 CA 1.705 26 residues pruned to eliminate duplicates Z: 26 65.407 2.459 1.507 0.914 0.920 0.320 CB 1.632 26 residues pruned to eliminate duplicates Z: 9 18.279 2.161 0.828 0.916 1.000 1.000 CB 1.155 9 residues pruned to eliminate duplicates Z: 9 9.577 1.736 0.897 0.858 1.000 0.875 CB 0.757 9 residues pruned to eliminate duplicates Z: 28 63.757 2.424 1.387 0.935 0.963 0.407 CB 1.535 28 residues pruned to eliminate duplicates Z: 144 119.161 2.452 1.121 0.703 0.951 0.685 CB 1.674 144 residues pruned to eliminate duplicates Z: 25 52.477 2.411 0.753 0.897 1.000 0.958 CB 1.815 25 residues pruned to eliminate duplicates Z: 75 85.861 2.444 1.156 0.650 0.946 0.514 CB 1.740 75 residues pruned to eliminate duplicates Z: 18 34.543 2.270 1.095 0.834 0.941 0.412 CB 1.403 18 residues pruned to eliminate duplicates Z: 17 36.448 2.347 1.050 0.880 0.938 0.688 CB 1.464 17 residues pruned to eliminate duplicates Z: 18 39.811 2.293 1.131 0.881 1.000 0.882 CB 1.431 18 residues pruned to eliminate duplicates Z: 29 53.823 2.315 1.035 0.882 0.929 0.679 CB 1.683 29 residues pruned to eliminate duplicates Z: 28 56.675 2.423 0.961 0.833 0.963 0.667 CB 1.788 28 residues pruned to eliminate duplicates Z: 120 111.674 2.449 1.118 0.705 0.966 0.714 CB 1.694 120 residues pruned to eliminate duplicates Z: 183 145.138 2.476 1.289 0.684 0.962 0.538 CB 1.667 149 residues pruned to eliminate duplicates Z: 52 64.352 2.286 0.820 0.904 0.961 0.824 CB 1.605 52 residues pruned to eliminate duplicates Z: 169 129.416 2.490 1.113 0.685 0.952 0.726 CB 1.682 169 residues pruned to eliminate duplicates Z: 33 60.917 2.324 1.349 0.878 0.938 0.688 CB 1.527 33 residues pruned to eliminate duplicates Z: 25 81.092 2.465 1.638 0.945 0.958 0.792 CB 1.838 25 residues pruned to eliminate duplicates Z: 144 119.475 2.442 1.088 0.698 0.979 0.741 CB 1.670 134 residues pruned to eliminate duplicates Z: 25 54.159 2.448 0.788 0.930 0.958 0.708 CB 1.842 25 residues pruned to eliminate duplicates Z: 49 74.637 2.385 1.411 0.714 0.938 0.688 CB 1.647 49 residues pruned to eliminate duplicates Z: 7 5.311 1.842 0.285 0.614 0.667 0.500 CB 1.232 7 residues pruned to eliminate duplicates Z: 9 4.351 1.726 0.288 0.395 0.625 0.500 CA 1.237 9 residues pruned to eliminate duplicates Z: 18 52.673 2.385 1.696 0.924 0.941 0.471 CB 1.482 18 residues pruned to eliminate duplicates Z: 12 26.333 2.251 0.908 0.799 0.909 0.727 CA 1.565 12 residues pruned to eliminate duplicates Z: 12 31.448 2.261 0.864 0.784 1.000 0.545 CB 1.753 12 residues pruned to eliminate duplicates Z: 22 38.576 2.392 0.873 0.898 0.952 0.952 CB 1.411 22 residues pruned to eliminate duplicates Z: 78 98.672 2.474 1.421 0.740 0.961 0.610 CB 1.576 78 residues pruned to eliminate duplicates Z: 27 60.530 2.415 1.018 0.877 1.000 0.885 CB 1.769 27 residues pruned to eliminate duplicates Z: 183 137.318 2.467 1.261 0.682 0.929 0.577 CB 1.662 183 residues pruned to eliminate duplicates Z: 20 25.797 2.190 0.835 0.500 0.895 0.526 CB 1.645 20 residues pruned to eliminate duplicates Z: 27 67.217 2.410 1.498 0.934 0.923 0.769 CB 1.654 27 residues pruned to eliminate duplicates Z: 19 36.540 2.296 1.015 0.816 1.000 0.722 CB 1.415 19 residues pruned to eliminate duplicates Z: 51 77.870 2.293 1.284 0.914 0.940 0.680 CB 1.583 51 residues pruned to eliminate duplicates Z: 18 38.317 2.384 0.872 0.917 0.941 0.882 CB 1.562 18 residues pruned to eliminate duplicates Z: 79 95.558 2.446 1.385 0.722 0.974 0.615 CB 1.558 79 residues pruned to eliminate duplicates Z: 24 50.319 2.270 1.310 0.805 0.913 0.652 CB 1.680 24 residues pruned to eliminate duplicates Z: 32 60.812 2.426 1.029 0.929 0.968 0.871 CB 1.605 32 residues pruned to eliminate duplicates Z: 24 58.161 2.478 0.869 0.933 1.000 0.957 CA 1.827 24 residues pruned to eliminate duplicates Z: 18 29.797 2.224 1.227 0.856 0.824 0.529 CB 1.306 18 residues pruned to eliminate duplicates Z: 144 123.154 2.413 1.177 0.698 0.979 0.706 CB 1.671 144 residues pruned to eliminate duplicates Z: 18 31.313 2.225 1.025 0.880 0.882 0.588 CB 1.385 18 residues pruned to eliminate duplicates Z: 22 63.964 2.467 1.486 0.934 0.952 0.571 CB 1.666 22 residues pruned to eliminate duplicates Z: 29 53.460 2.259 1.224 0.901 0.929 0.500 CB 1.546 29 residues pruned to eliminate duplicates Z: 32 54.323 2.371 1.169 0.854 0.903 0.710 CB 1.551 32 residues pruned to eliminate duplicates Z: 26 56.026 2.298 1.289 0.947 0.840 0.560 CB 1.753 26 residues pruned to eliminate duplicates Z: 13 41.192 2.531 0.919 0.925 1.000 0.833 CB 1.719 13 residues pruned to eliminate duplicates Z: 47 82.861 2.420 1.412 0.794 0.957 0.674 CB 1.690 48 residues pruned to eliminate duplicates Z: 159 137.159 2.448 1.295 0.721 0.962 0.551 CB 1.654 159 residues pruned to eliminate duplicates Z: 106 125.594 2.474 1.482 0.755 0.962 0.638 CB 1.654 106 residues pruned to eliminate duplicates Z: 56 70.133 2.384 1.054 0.706 0.945 0.655 CB 1.693 56 residues pruned to eliminate duplicates Z: 28 57.407 2.299 1.227 0.937 0.926 0.593 CB 1.622 28 residues pruned to eliminate duplicates Z: 58 78.234 2.353 1.187 0.757 0.930 0.737 CB 1.723 58 residues pruned to eliminate duplicates Z: 7 8.591 1.948 0.174 0.727 1.000 0.667 CB 1.250 7 residues pruned to eliminate duplicates Z: 121 102.435 2.420 1.026 0.693 0.950 0.692 CB 1.683 121 residues pruned to eliminate duplicates Z: 18 26.736 2.258 0.990 0.805 0.824 0.353 CB 1.343 18 residues pruned to eliminate duplicates Z: 20 32.407 2.199 0.975 0.779 0.947 0.737 CB 1.413 20 residues pruned to eliminate duplicates Z: 146 134.244 2.478 1.353 0.698 0.972 0.559 CB 1.641 146 residues pruned to eliminate duplicates Z: 25 65.008 2.523 0.952 0.932 0.958 0.875 CA 1.964 25 residues pruned to eliminate duplicates Z: 25 42.252 2.289 0.945 0.882 0.875 0.708 CB 1.602 25 residues pruned to eliminate duplicates Z: 23 61.507 2.456 1.408 0.949 1.000 0.682 CB 1.530 23 residues pruned to eliminate duplicates Z: 30 33.569 2.368 0.847 0.510 0.897 0.552 CB 1.574 30 residues pruned to eliminate duplicates Z: 144 132.993 2.467 1.387 0.698 0.958 0.531 CB 1.646 144 residues pruned to eliminate duplicates Z: 26 30.828 2.315 0.685 0.522 0.920 0.560 CB 1.681 26 residues pruned to eliminate duplicates Z: 19 28.523 2.212 0.916 0.780 0.889 0.500 CB 1.394 19 residues pruned to eliminate duplicates Z: 6 10.723 2.027 0.752 0.780 0.800 0.800 CA 1.319 6 residues pruned to eliminate duplicates Z: 18 24.447 2.279 0.968 0.547 0.824 0.588 CB 1.533 18 residues pruned to eliminate duplicates Z: 28 30.820 2.207 0.887 0.457 0.926 0.407 CB 1.607 28 residues pruned to eliminate duplicates Z: 117 112.894 2.434 1.141 0.715 0.974 0.759 CB 1.700 117 residues pruned to eliminate duplicates Z: 22 54.739 2.432 1.232 0.883 0.905 0.714 CB 1.758 22 residues pruned to eliminate duplicates Z: 65 79.288 2.396 0.918 0.814 0.969 0.781 CB 1.694 65 residues pruned to eliminate duplicates Z: 13 38.078 2.370 1.066 0.792 1.000 0.750 CA 1.737 13 residues pruned to eliminate duplicates Z: 11 31.707 2.310 1.241 0.835 1.000 0.800 CB 1.451 11 residues pruned to eliminate duplicates Z: 7 12.790 1.795 1.101 0.843 0.833 0.667 CB 1.237 7 residues pruned to eliminate duplicates Z: 18 44.032 2.377 1.263 0.878 0.941 0.824 CB 1.531 18 residues pruned to eliminate duplicates Z: 11 31.226 2.384 1.022 0.888 1.000 0.900 CB 1.476 11 residues pruned to eliminate duplicates Z: 91 101.008 2.489 1.141 0.753 0.956 0.789 CB 1.669 91 residues pruned to eliminate duplicates Z: 28 49.770 2.360 1.147 0.888 0.852 0.667 CB 1.599 28 residues pruned to eliminate duplicates Z: 22 41.870 2.255 1.099 0.810 0.952 0.667 CB 1.547 22 residues pruned to eliminate duplicates Z: 17 24.368 2.291 0.918 0.850 0.812 0.500 CB 1.264 17 residues pruned to eliminate duplicates Z: 65 61.633 2.312 1.139 0.544 0.938 0.641 CB 1.591 65 residues pruned to eliminate duplicates Z: 14 25.385 2.379 0.915 0.758 0.769 0.615 CB 1.597 14 residues pruned to eliminate duplicates Z: 6 12.652 2.031 0.600 0.666 1.000 0.400 CA 1.494 Z: 52 59.849 2.405 1.047 0.625 0.922 0.608 CB 1.642 52 residues pruned to eliminate duplicates Z: 12 19.534 1.926 0.792 0.880 0.909 0.636 CB 1.360 12 residues pruned to eliminate duplicates Z: 145 123.090 2.409 1.284 0.697 0.951 0.569 CB 1.637 145 residues pruned to eliminate duplicates Z: 12 12.308 1.804 0.801 0.369 0.909 0.455 CA 1.446 12 residues pruned to eliminate duplicates Z: 10 20.324 2.440 0.687 0.862 0.778 0.556 CB 1.554 10 residues pruned to eliminate duplicates Z: 20 28.304 2.174 0.977 0.803 0.895 0.474 CB 1.296 20 residues pruned to eliminate duplicates Z: 6 6.107 1.839 0.617 0.618 0.600 0.400 CB 1.369 6 residues pruned to eliminate duplicates Z: 103 97.891 2.423 1.100 0.687 0.951 0.725 CB 1.687 109 residues pruned to eliminate duplicates Z: 7 6.519 1.608 0.482 0.765 1.000 0.833 CB 0.883 6 residues pruned to eliminate duplicates Z: 14 25.921 2.314 1.005 0.608 0.923 0.538 CB 1.516 14 residues pruned to eliminate duplicates Z: 31 62.322 2.364 1.150 0.920 0.967 0.867 CB 1.631 31 residues pruned to eliminate duplicates Z: 18 46.776 2.307 1.317 0.920 0.941 0.353 CB 1.588 18 residues pruned to eliminate duplicates Z: 26 55.518 2.473 1.147 0.862 0.960 0.720 CB 1.599 26 residues pruned to eliminate duplicates Z: 13 21.430 2.134 0.829 0.827 0.917 0.750 CB 1.303 13 residues pruned to eliminate duplicates Z: 14 48.386 2.625 1.004 0.847 1.000 0.769 CB 1.894 14 residues pruned to eliminate duplicates Z: 31 57.659 2.408 0.947 0.956 0.967 0.867 CB 1.595 31 residues pruned to eliminate duplicates Z: 11 17.763 2.132 0.353 0.925 1.000 1.000 CB 1.367 11 residues pruned to eliminate duplicates Z: 6 10.807 1.905 0.753 0.815 1.000 0.800 CA 1.101 6 residues pruned to eliminate duplicates Z: 18 62.368 2.412 1.626 0.904 1.000 0.412 CB 1.701 18 residues pruned to eliminate duplicates Z: 22 59.730 2.417 1.440 0.859 0.952 0.762 CB 1.707 22 residues pruned to eliminate duplicates Z: 39 59.090 2.314 1.232 0.700 0.947 0.737 CB 1.632 39 residues pruned to eliminate duplicates Z: 36 42.341 2.322 0.965 0.549 0.857 0.571 CB 1.743 36 residues pruned to eliminate duplicates Z: 11 31.252 2.240 1.095 0.887 1.000 1.000 CB 1.518 11 residues pruned to eliminate duplicates Z: 25 23.107 2.039 0.798 0.392 0.875 0.500 CB 1.649 25 residues pruned to eliminate duplicates Z: 210 148.414 2.417 1.266 0.687 0.971 0.632 CB 1.626 208 residues pruned to eliminate duplicates Z: 10 28.234 2.186 1.022 0.896 1.000 0.778 CA 1.526 10 residues pruned to eliminate duplicates Z: 92 95.408 2.437 1.111 0.707 0.945 0.670 CB 1.705 92 residues pruned to eliminate duplicates Z: 37 37.789 2.198 1.017 0.462 0.917 0.556 CB 1.611 37 residues pruned to eliminate duplicates Z: 18 31.374 2.226 0.839 0.848 0.941 0.824 CB 1.465 18 residues pruned to eliminate duplicates Z: 25 54.960 2.350 1.530 0.918 0.958 0.375 CB 1.389 25 residues pruned to eliminate duplicates Z: 7 14.729 1.989 0.702 0.747 1.000 0.667 CB 1.425 7 residues pruned to eliminate duplicates Z: 146 124.601 2.438 1.233 0.720 0.938 0.648 CB 1.661 146 residues pruned to eliminate duplicates Z: 27 60.957 2.468 1.175 0.847 0.962 0.692 CB 1.720 27 residues pruned to eliminate duplicates 6 1.864 1.588 0.482 0.299 0.400 0.400 C 1.108 ? Z: 7 7.878 1.721 0.538 0.546 1.000 0.500 CA 1.161 7 residues pruned to eliminate duplicates Z: 26 46.992 2.335 0.733 0.934 1.000 0.920 CA 1.619 25 residues pruned to eliminate duplicates Z: 8 6.600 1.433 0.361 0.771 0.857 0.429 O 1.174 8 residues pruned to eliminate duplicates Z: 50 56.414 2.281 1.155 0.545 0.959 0.571 CB 1.636 49 residues pruned to eliminate duplicates Z: 23 56.898 2.360 1.207 0.876 1.000 0.909 CB 1.693 23 residues pruned to eliminate duplicates Z: 197 151.993 2.459 1.273 0.718 0.969 0.750 CB 1.645 339 residues pruned to eliminate duplicates Z: 14 26.594 2.088 0.753 0.896 1.000 0.923 CA 1.444 6 0.906 1.625 0.358 0.338 0.800 0.400 CB 0.274 ? Z: 32 26.433 2.162 0.757 0.373 0.935 0.452 CB 1.531 Z: 18 40.555 2.309 1.000 0.869 1.000 0.824 CB 1.556 Z: 37 50.746 2.386 1.006 0.652 0.889 0.694 CB 1.726 37 residues pruned to eliminate duplicates Z: 8 6.145 1.781 0.347 0.391 0.857 0.429 CB 1.268 Z: 32 62.747 2.441 1.094 0.897 0.968 0.806 CB 1.631 32 residues pruned to eliminate duplicates Z: 185 146.060 2.481 1.254 0.711 0.946 0.571 CB 1.682 231 residues pruned to eliminate duplicates Z: 10 38.818 2.396 1.387 0.764 1.000 0.778 CA 1.789 Z: 24 30.526 2.266 1.130 0.666 0.913 0.522 CB 1.239 23 residues pruned to eliminate duplicates Z: 80 94.985 2.478 1.287 0.702 0.975 0.646 CB 1.609 80 residues pruned to eliminate duplicates Z: 22 52.024 2.406 1.186 0.866 0.905 0.667 CA 1.746 22 residues pruned to eliminate duplicates Z: 39 83.754 2.560 1.524 0.776 1.000 0.658 CB 1.649 39 residues pruned to eliminate duplicates Z: 41 34.539 2.209 0.952 0.480 0.850 0.525 CB 1.520 Z: 7 4.779 1.747 0.553 0.592 0.667 0.667 CB 0.988 Z: 54 83.281 2.584 1.131 0.810 0.962 0.868 CB 1.648 54 residues pruned to eliminate duplicates Z: 6 13.879 2.307 0.621 0.755 0.800 0.600 CA 1.654 6 residues pruned to eliminate duplicates Z: 16 7.540 1.765 0.360 0.343 1.000 0.533 CB 0.962 Z: 71 80.031 2.456 1.012 0.761 0.943 0.800 CB 1.627 71 residues pruned to eliminate duplicates Z: 178 126.966 2.425 1.181 0.645 0.938 0.576 CB 1.680 178 residues pruned to eliminate duplicates Z: 182 144.150 2.442 1.319 0.693 0.956 0.619 CB 1.660 182 residues pruned to eliminate duplicates Z: 7 3.081 1.629 0.043 0.359 0.667 0.333 O 1.293 Z: 18 35.750 2.235 1.006 0.833 1.000 0.647 CB 1.451 18 residues pruned to eliminate duplicates Z: 18 43.460 2.357 1.391 0.892 0.941 0.647 CB 1.428 34 residues pruned to eliminate duplicates Z: 95 102.791 2.432 1.156 0.763 0.968 0.755 CB 1.654 95 residues pruned to eliminate duplicates Z: 43 45.518 2.246 1.102 0.624 0.857 0.667 CB 1.545 43 residues pruned to eliminate duplicates Z: 117 105.739 2.410 1.150 0.714 0.940 0.698 CB 1.661 117 residues pruned to eliminate duplicates Z: 7 3.114 1.300 0.926 0.485 0.833 0.500 CB 0.618 Z: 130 117.150 2.459 1.338 0.670 0.946 0.643 CB 1.622 171 residues pruned to eliminate duplicates 8 1.952 1.273 0.228 0.320 0.714 0.286 CB 0.805 ? Z: 173 140.742 2.443 1.318 0.708 0.942 0.622 CB 1.665 175 residues pruned to eliminate duplicates Z: 22 19.917 1.982 0.815 0.394 0.905 0.381 CA 1.494 20 residues pruned to eliminate duplicates Z: 7 25.095 2.491 0.680 0.856 1.000 0.833 CB 1.806 Z: 29 49.425 2.332 1.526 0.674 0.893 0.714 CB 1.513 29 residues pruned to eliminate duplicates Z: 18 28.456 2.225 0.502 0.866 1.000 0.706 CB 1.512 18 residues pruned to eliminate duplicates Z: 19 33.238 2.144 0.876 0.846 1.000 0.667 CA 1.447 19 residues pruned to eliminate duplicates Z: 7 9.831 1.617 0.710 0.818 1.000 0.667 CA 1.102 7 residues pruned to eliminate duplicates Z: 46 81.939 2.435 1.222 0.786 1.000 0.689 CB 1.754 33 residues pruned to eliminate duplicates Z: 18 32.462 2.295 0.761 0.909 1.000 0.824 CB 1.382 18 residues pruned to eliminate duplicates Z: 49 72.382 2.433 1.208 0.713 0.938 0.729 CB 1.710 49 residues pruned to eliminate duplicates Z: 6 5.470 1.586 0.060 0.671 1.000 0.800 CB 1.243 Z: 7 12.348 1.937 0.715 0.856 0.833 0.500 CB 1.343 7 residues pruned to eliminate duplicates 7 1.278 1.623 0.319 0.262 0.667 0.500 CB 0.480 ? Z: 39 71.665 2.493 1.395 0.630 0.974 0.658 CB 1.770 39 residues pruned to eliminate duplicates Z: 15 18.666 2.110 0.783 0.460 0.929 0.500 CB 1.488 15 residues pruned to eliminate duplicates Z: 9 5.620 1.747 0.377 0.282 0.875 0.375 CB 1.207 9 residues pruned to eliminate duplicates 6 1.908 1.087 0.680 0.533 0.600 0.400 O 0.754 ? Z: 20 30.311 2.170 0.864 0.780 0.895 0.474 CB 1.501 20 residues pruned to eliminate duplicates Z: 21 54.866 2.523 1.365 0.869 0.850 0.500 CA 1.767 21 residues pruned to eliminate duplicates Z: 25 49.738 2.392 1.123 0.884 0.875 0.542 CB 1.651 25 residues pruned to eliminate duplicates Z: 19 57.208 2.536 1.356 0.902 1.000 0.722 CB 1.610 19 residues pruned to eliminate duplicates Z: 94 102.613 2.476 1.107 0.754 0.968 0.774 CB 1.681 94 residues pruned to eliminate duplicates Z: 17 68.504 2.469 1.672 0.911 1.000 0.750 CB 1.840 17 residues pruned to eliminate duplicates Z: 86 107.240 2.487 1.408 0.764 0.965 0.518 CB 1.593 86 residues pruned to eliminate duplicates Z: 151 119.790 2.413 1.292 0.679 0.940 0.520 CB 1.596 151 residues pruned to eliminate duplicates Z: 91 96.627 2.441 1.135 0.711 0.944 0.789 CB 1.709 91 residues pruned to eliminate duplicates Z: 28 57.309 2.393 1.166 0.806 0.926 0.593 CB 1.760 28 residues pruned to eliminate duplicates Z: 89 87.504 2.407 1.044 0.692 0.966 0.648 CB 1.646 93 residues pruned to eliminate duplicates Z: 8 18.149 2.210 0.548 0.780 1.000 0.571 CA 1.567 8 residues pruned to eliminate duplicates Z: 105 96.496 2.416 1.130 0.686 0.933 0.538 CB 1.662 105 residues pruned to eliminate duplicates Z: 159 125.299 2.475 1.213 0.662 0.924 0.544 CB 1.696 95 residues pruned to eliminate duplicates Z: 26 44.108 2.375 1.105 0.607 0.960 0.680 CB 1.661 33 residues pruned to eliminate duplicates Z: 15 34.562 2.406 0.693 0.923 1.000 0.786 CB 1.594 15 residues pruned to eliminate duplicates Z: 7 2.917 1.292 0.498 0.294 0.833 0.333 CA 0.930 Z: 129 114.933 2.446 1.258 0.662 0.945 0.594 CB 1.674 89 residues pruned to eliminate duplicates Z: 7 12.054 1.942 0.560 0.795 0.833 0.500 CB 1.505 7 residues pruned to eliminate duplicates Z: 6 2.470 1.416 -0.134 0.481 0.800 0.600 CB 1.148 6 1.613 1.285 0.556 0.384 0.800 0.400 CB 0.510 ? Z: 20 45.842 2.366 1.054 0.895 0.947 0.684 CB 1.637 20 residues pruned to eliminate duplicates Z: 70 75.037 2.454 1.046 0.701 0.913 0.536 CB 1.641 45 residues pruned to eliminate duplicates Z: 58 80.608 2.504 1.032 0.794 0.982 0.860 CB 1.650 58 residues pruned to eliminate duplicates Z: 9 6.039 1.878 0.741 0.272 0.750 0.250 CB 1.128 9 residues pruned to eliminate duplicates Z: 8 6.541 1.505 0.653 0.451 0.857 0.143 O 1.219 Z: 186 161.137 2.506 1.321 0.752 0.962 0.627 CB 1.691 212 residues pruned to eliminate duplicates Z: 10 37.327 2.543 1.026 0.900 1.000 0.778 CB 1.726 10 residues pruned to eliminate duplicates Z: 17 13.566 1.979 0.768 0.359 0.812 0.562 CB 1.388 17 residues pruned to eliminate duplicates Z: 28 51.225 2.354 1.108 0.799 0.889 0.481 CA 1.720 28 residues pruned to eliminate duplicates Z: 19 62.217 2.339 1.862 0.853 1.000 0.667 CA 1.619 19 residues pruned to eliminate duplicates Z: 131 119.100 2.454 1.158 0.740 0.962 0.723 CB 1.654 131 residues pruned to eliminate duplicates Z: 182 146.226 2.485 1.284 0.687 0.961 0.575 CB 1.678 182 residues pruned to eliminate duplicates Z: 115 112.875 2.439 1.195 0.746 0.956 0.614 CB 1.659 156 residues pruned to eliminate duplicates Z: 42 71.444 2.381 1.257 0.791 0.976 0.659 CB 1.649 Z: 10 14.246 2.255 0.841 0.521 0.889 0.667 CB 1.261 10 residues pruned to eliminate duplicates Z: 51 77.987 2.512 1.152 0.732 0.980 0.700 CB 1.689 51 residues pruned to eliminate duplicates Z: 27 37.386 2.256 0.797 0.624 0.923 0.462 CA 1.743 27 residues pruned to eliminate duplicates Z: 20 40.937 2.231 1.191 0.827 0.947 0.579 CB 1.528 20 residues pruned to eliminate duplicates Z: 7 6.435 1.961 0.440 0.825 0.833 0.833 CB 0.842 7 residues pruned to eliminate duplicates 410 residues left after pruning, divided into chains as follows: A: 7 B: 362 C: 41 CC for partial structure against native data = 40.47 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.791, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.930, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 1.139, Connect. = 0.820 for dens.mod. cycle 3 = 0.300, Contrast = 1.192, Connect. = 0.824 for dens.mod. cycle 4 = 0.300, Contrast = 1.235, Connect. = 0.827 for dens.mod. cycle 5 = 0.300, Contrast = 1.258, Connect. = 0.829 for dens.mod. cycle 6 = 0.300, Contrast = 1.276, Connect. = 0.831 for dens.mod. cycle 7 = 0.300, Contrast = 1.285, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.292, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.295, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3043 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 607 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 42.681 2.508 1.381 0.876 1.000 0.600 CB 1.643 B: 25 85.607 2.588 1.433 0.939 0.958 0.750 CB 2.013 C: 24 71.184 2.621 1.174 0.942 0.913 0.739 CB 1.979 24 residues pruned to eliminate duplicates D: 10 32.371 2.604 0.575 0.917 1.000 1.000 CB 1.856 E: 25 67.979 2.551 1.119 0.911 0.917 0.792 CB 1.986 25 residues pruned to eliminate duplicates F: 22 59.133 2.498 1.121 0.872 1.000 0.571 CA 1.776 G: 26 71.507 2.482 1.333 0.911 0.920 0.640 CB 1.903 26 residues pruned to eliminate duplicates H: 22 59.631 2.580 1.117 0.836 0.952 0.714 CB 1.872 22 residues pruned to eliminate duplicates I: 18 52.061 2.452 1.011 0.921 1.000 0.941 CB 1.803 J: 11 32.946 2.465 0.885 0.823 1.000 0.900 CB 1.695 K: 25 72.752 2.625 1.413 0.963 0.958 0.708 CB 1.671 L: 32 69.789 2.466 1.264 0.908 0.968 0.806 CB 1.647 M: 12 32.649 2.339 1.240 0.904 1.000 0.636 CB 1.338 12 residues pruned to eliminate duplicates N: 22 56.037 2.527 1.083 0.880 0.952 0.714 CA 1.768 22 residues pruned to eliminate duplicates O: 22 59.493 2.512 1.097 0.863 1.000 0.762 CB 1.808 P: 28 63.740 2.565 1.041 0.927 1.000 0.741 CB 1.642 22 residues pruned to eliminate duplicates Q: 29 57.492 2.358 1.103 0.798 0.964 0.607 CA 1.750 R: 10 43.629 2.591 1.117 0.871 1.000 1.000 CB 1.935 10 residues pruned to eliminate duplicates S: 19 55.977 2.463 1.089 0.913 1.000 0.889 CB 1.815 18 residues pruned to eliminate duplicates T: 10 22.707 2.481 0.374 0.874 0.889 0.778 CB 1.818 10 residues pruned to eliminate duplicates U: 17 31.142 2.414 0.587 0.890 1.000 0.875 CB 1.462 19 residues pruned to eliminate duplicates V: 25 75.805 2.553 1.351 0.919 0.958 0.500 CB 1.895 25 residues pruned to eliminate duplicates W: 18 67.639 2.471 1.646 0.950 1.000 0.471 CB 1.730 X: 15 46.012 2.565 1.211 0.806 1.000 0.571 CB 1.660 17 residues pruned to eliminate duplicates Y: 18 48.185 2.496 0.852 0.929 1.000 1.000 CB 1.770 18 residues pruned to eliminate duplicates Z: 18 51.885 2.480 1.243 0.905 0.941 0.824 CB 1.711 18 residues pruned to eliminate duplicates Z: 25 75.566 2.585 1.167 0.935 0.958 0.875 CA 2.002 25 residues pruned to eliminate duplicates Z: 22 65.922 2.539 1.216 0.885 1.000 0.952 CA 1.846 22 residues pruned to eliminate duplicates Z: 11 28.999 2.520 0.533 0.927 1.000 0.900 CB 1.663 10 residues pruned to eliminate duplicates Z: 22 60.523 2.504 1.288 0.858 0.952 0.619 CB 1.782 22 residues pruned to eliminate duplicates Z: 11 18.268 2.278 0.327 0.898 1.000 1.000 CB 1.366 11 residues pruned to eliminate duplicates Z: 27 75.415 2.465 1.349 0.916 0.962 0.654 CA 1.875 27 residues pruned to eliminate duplicates Z: 19 61.327 2.465 1.295 0.901 1.000 0.722 CA 1.824 18 residues pruned to eliminate duplicates Z: 22 48.766 2.490 1.077 0.810 0.905 0.762 CB 1.736 22 residues pruned to eliminate duplicates Z: 18 56.490 2.507 1.160 0.914 1.000 0.824 CB 1.789 18 residues pruned to eliminate duplicates Z: 31 58.977 2.466 0.770 0.950 1.000 0.933 CB 1.701 30 residues pruned to eliminate duplicates Z: 19 58.841 2.472 1.296 0.934 1.000 0.667 CB 1.704 19 residues pruned to eliminate duplicates Z: 22 58.349 2.555 1.019 0.872 1.000 0.667 CA 1.799 22 residues pruned to eliminate duplicates Z: 17 53.936 2.586 1.250 0.935 1.000 1.000 CB 1.615 17 residues pruned to eliminate duplicates Z: 31 65.600 2.488 0.902 0.943 1.000 0.900 CB 1.754 31 residues pruned to eliminate duplicates Z: 22 60.217 2.505 1.166 0.888 1.000 0.810 CB 1.745 22 residues pruned to eliminate duplicates Z: 16 72.706 2.596 1.641 0.913 1.000 0.800 CB 1.939 16 residues pruned to eliminate duplicates Z: 22 67.049 2.551 1.275 0.870 1.000 0.714 CA 1.840 22 residues pruned to eliminate duplicates Z: 17 58.911 2.604 1.224 0.906 0.938 0.875 CB 1.929 18 residues pruned to eliminate duplicates Z: 28 69.824 2.534 1.316 0.918 0.963 0.593 CB 1.678 Z: 22 60.928 2.524 1.140 0.872 1.000 0.667 CB 1.795 22 residues pruned to eliminate duplicates Z: 22 61.288 2.495 1.174 0.872 1.000 0.762 CA 1.797 22 residues pruned to eliminate duplicates Z: 28 59.103 2.458 1.059 0.888 0.963 0.704 CB 1.681 28 residues pruned to eliminate duplicates Z: 22 57.405 2.495 1.116 0.869 0.952 0.571 CA 1.821 22 residues pruned to eliminate duplicates Z: 29 53.225 2.388 0.858 0.848 0.964 0.643 CB 1.745 Z: 115 105.463 2.558 0.925 0.641 0.974 0.658 CB 1.806 89 residues pruned to eliminate duplicates Z: 28 55.879 2.443 1.010 0.782 0.926 0.630 CA 1.845 28 residues pruned to eliminate duplicates Z: 19 50.228 2.442 0.984 0.914 1.000 0.889 CB 1.729 18 residues pruned to eliminate duplicates Z: 22 63.482 2.515 1.262 0.891 0.952 0.810 CB 1.839 22 residues pruned to eliminate duplicates Z: 32 59.841 2.485 0.925 0.881 0.968 0.806 CB 1.681 32 residues pruned to eliminate duplicates Z: 14 41.376 2.488 0.944 0.844 1.000 0.923 CA 1.765 14 residues pruned to eliminate duplicates Z: 18 35.449 2.372 0.857 0.850 0.941 0.588 CB 1.536 Z: 24 85.585 2.619 1.550 0.932 0.957 0.609 CB 1.951 24 residues pruned to eliminate duplicates Z: 12 22.937 2.173 0.751 0.875 1.000 0.818 CB 1.322 12 residues pruned to eliminate duplicates Z: 31 82.280 2.528 1.561 0.929 0.967 0.300 CB 1.680 31 residues pruned to eliminate duplicates Z: 18 49.504 2.456 1.125 0.850 0.941 0.824 CB 1.810 18 residues pruned to eliminate duplicates Z: 26 56.331 2.552 0.806 0.945 1.000 0.920 CB 1.693 26 residues pruned to eliminate duplicates Z: 32 70.845 2.475 1.213 0.930 1.000 0.645 CB 1.625 32 residues pruned to eliminate duplicates Z: 18 55.678 2.412 1.160 0.917 1.000 0.941 CB 1.829 18 residues pruned to eliminate duplicates Z: 30 90.476 2.579 1.628 0.956 1.000 0.552 CB 1.703 30 residues pruned to eliminate duplicates Z: 27 67.153 2.441 1.199 0.909 0.962 0.538 CB 1.812 Z: 18 35.809 2.442 0.616 0.900 0.941 0.941 CB 1.671 18 residues pruned to eliminate duplicates Z: 24 53.597 2.602 0.783 0.951 1.000 0.913 CB 1.661 24 residues pruned to eliminate duplicates Z: 18 38.921 2.263 0.990 0.845 1.000 0.765 CB 1.558 18 residues pruned to eliminate duplicates Z: 19 42.172 2.463 0.754 0.921 0.944 0.833 CB 1.714 19 residues pruned to eliminate duplicates Z: 28 56.379 2.468 0.799 0.856 0.963 0.741 CA 1.871 28 residues pruned to eliminate duplicates Z: 28 63.044 2.494 1.063 0.855 0.926 0.778 CA 1.880 28 residues pruned to eliminate duplicates Z: 27 66.470 2.524 1.185 0.931 0.962 0.769 CB 1.718 27 residues pruned to eliminate duplicates Z: 24 66.971 2.593 0.838 0.942 1.000 0.870 CA 2.032 24 residues pruned to eliminate duplicates Z: 11 32.715 2.535 0.786 0.770 1.000 0.700 CA 1.799 11 residues pruned to eliminate duplicates Z: 33 58.410 2.392 0.850 0.934 1.000 0.875 CB 1.627 33 residues pruned to eliminate duplicates Z: 25 41.182 2.443 0.504 0.939 0.958 0.875 CB 1.659 25 residues pruned to eliminate duplicates Z: 26 55.693 2.453 0.996 0.860 1.000 0.640 CB 1.673 26 residues pruned to eliminate duplicates Z: 30 81.530 2.512 1.689 0.920 0.966 0.310 CB 1.635 30 residues pruned to eliminate duplicates Z: 18 60.252 2.454 1.571 0.940 1.000 0.706 CB 1.608 18 residues pruned to eliminate duplicates Z: 26 60.215 2.497 1.041 0.931 0.960 0.800 CB 1.721 26 residues pruned to eliminate duplicates Z: 27 71.896 2.564 1.215 0.931 0.962 0.769 CB 1.804 28 residues pruned to eliminate duplicates Z: 33 58.530 2.407 1.081 0.896 0.938 0.719 CB 1.578 33 residues pruned to eliminate duplicates Z: 21 30.805 2.510 0.903 0.524 0.800 0.450 CB 1.761 21 residues pruned to eliminate duplicates Z: 29 62.232 2.348 1.091 0.915 1.000 0.500 CB 1.693 29 residues pruned to eliminate duplicates Z: 27 75.759 2.572 1.210 0.945 1.000 0.846 CB 1.809 27 residues pruned to eliminate duplicates Z: 26 58.149 2.502 0.864 0.927 0.920 0.840 CA 1.899 26 residues pruned to eliminate duplicates Z: 31 51.694 2.476 0.762 0.915 0.967 0.867 CB 1.583 31 residues pruned to eliminate duplicates Z: 20 47.955 2.436 0.974 0.812 0.947 0.737 CB 1.841 20 residues pruned to eliminate duplicates Z: 17 61.748 2.663 1.239 0.924 1.000 0.938 CB 1.818 17 residues pruned to eliminate duplicates Z: 31 71.464 2.538 1.210 0.954 0.967 0.800 CB 1.655 31 residues pruned to eliminate duplicates Z: 25 57.531 2.490 0.750 0.929 1.000 0.792 CA 1.886 25 residues pruned to eliminate duplicates Z: 27 79.002 2.559 1.314 0.945 1.000 0.731 CB 1.811 27 residues pruned to eliminate duplicates Z: 22 52.128 2.498 1.044 0.859 0.952 0.714 CB 1.720 22 residues pruned to eliminate duplicates Z: 17 59.442 2.532 1.168 0.928 1.000 0.938 CB 1.896 17 residues pruned to eliminate duplicates Z: 27 69.550 2.534 1.076 0.934 1.000 0.731 CB 1.808 27 residues pruned to eliminate duplicates Z: 31 61.058 2.497 1.009 0.926 0.933 0.600 CB 1.669 31 residues pruned to eliminate duplicates Z: 29 81.426 2.615 1.581 0.956 0.964 0.500 CB 1.624 30 residues pruned to eliminate duplicates Z: 11 36.538 2.567 0.958 0.920 0.900 0.800 CB 1.799 11 residues pruned to eliminate duplicates Z: 24 70.233 2.443 1.388 0.940 1.000 0.739 CB 1.743 Z: 20 36.030 2.168 1.029 0.822 1.000 0.474 CB 1.421 19 residues pruned to eliminate duplicates Z: 22 54.429 2.507 0.970 0.877 1.000 0.905 CB 1.747 22 residues pruned to eliminate duplicates Z: 17 60.488 2.672 1.096 0.947 0.938 0.812 CB 1.991 17 residues pruned to eliminate duplicates Z: 27 69.511 2.559 1.118 0.937 0.962 0.846 CB 1.820 27 residues pruned to eliminate duplicates Z: 21 55.212 2.569 1.015 0.885 1.000 0.750 CA 1.722 21 residues pruned to eliminate duplicates Z: 20 52.780 2.500 1.256 0.886 0.842 0.579 CB 1.839 20 residues pruned to eliminate duplicates Z: 21 43.454 2.472 1.008 0.790 0.850 0.450 CB 1.785 21 residues pruned to eliminate duplicates Z: 22 52.410 2.478 1.093 0.844 0.905 0.667 CB 1.813 22 residues pruned to eliminate duplicates Z: 32 73.331 2.479 1.344 0.955 0.968 0.452 CB 1.610 32 residues pruned to eliminate duplicates Z: 29 54.185 2.540 0.694 0.943 1.000 0.786 CB 1.649 29 residues pruned to eliminate duplicates Z: 28 47.235 2.432 0.940 0.791 0.852 0.704 CA 1.751 28 residues pruned to eliminate duplicates Z: 17 61.680 2.535 1.327 0.901 1.000 0.688 CB 1.866 19 residues pruned to eliminate duplicates Z: 19 30.208 2.231 0.556 0.883 0.944 0.889 CB 1.571 19 residues pruned to eliminate duplicates Z: 17 66.087 2.509 1.602 0.907 1.000 0.688 CB 1.799 17 residues pruned to eliminate duplicates Z: 26 62.388 2.513 0.901 0.936 0.960 0.840 CA 1.895 26 residues pruned to eliminate duplicates Z: 26 59.321 2.336 1.221 0.911 0.960 0.840 CA 1.688 26 residues pruned to eliminate duplicates Z: 26 54.090 2.510 0.654 0.940 0.960 0.880 CA 1.885 26 residues pruned to eliminate duplicates Z: 23 50.938 2.342 1.146 0.858 0.909 0.682 CB 1.750 22 residues pruned to eliminate duplicates Z: 25 66.543 2.415 1.349 0.926 0.958 0.500 CB 1.752 24 residues pruned to eliminate duplicates Z: 24 68.538 2.458 1.357 0.913 1.000 0.739 CB 1.746 24 residues pruned to eliminate duplicates Z: 17 56.476 2.638 1.095 0.930 1.000 0.938 CB 1.787 17 residues pruned to eliminate duplicates Z: 22 56.116 2.508 0.986 0.858 1.000 0.810 CB 1.810 22 residues pruned to eliminate duplicates Z: 24 45.260 2.484 0.665 0.942 0.957 0.870 CB 1.654 24 residues pruned to eliminate duplicates Z: 35 61.489 2.542 1.074 0.649 0.971 0.706 CB 1.793 35 residues pruned to eliminate duplicates Z: 31 74.976 2.553 1.243 0.963 0.967 0.667 CB 1.690 31 residues pruned to eliminate duplicates Z: 27 84.539 2.595 1.475 0.951 1.000 0.769 CB 1.779 27 residues pruned to eliminate duplicates Z: 26 53.428 2.344 1.184 0.916 0.880 0.480 CB 1.675 26 residues pruned to eliminate duplicates Z: 32 50.589 2.383 0.764 0.900 0.968 0.806 CB 1.595 32 residues pruned to eliminate duplicates Z: 28 54.772 2.446 0.953 0.831 0.926 0.444 CB 1.790 28 residues pruned to eliminate duplicates Z: 32 78.476 2.491 1.494 0.924 0.968 0.516 CB 1.647 32 residues pruned to eliminate duplicates Z: 17 62.158 2.650 1.303 0.931 1.000 0.750 CB 1.779 17 residues pruned to eliminate duplicates Z: 31 66.494 2.528 1.099 0.934 0.967 0.767 CB 1.651 31 residues pruned to eliminate duplicates Z: 30 58.148 2.529 0.958 0.922 0.931 0.862 CB 1.647 30 residues pruned to eliminate duplicates Z: 22 64.758 2.519 1.206 0.876 1.000 0.714 CA 1.849 22 residues pruned to eliminate duplicates Z: 28 53.122 2.440 0.796 0.918 1.000 0.852 CB 1.646 27 residues pruned to eliminate duplicates Z: 13 19.040 2.233 0.575 0.735 0.917 0.667 CB 1.381 Z: 28 43.376 2.378 0.833 0.753 0.889 0.704 CA 1.720 28 residues pruned to eliminate duplicates Z: 28 55.275 2.468 0.993 0.834 0.852 0.593 CA 1.904 28 residues pruned to eliminate duplicates Z: 27 54.218 2.429 0.712 0.910 0.962 0.846 CB 1.887 27 residues pruned to eliminate duplicates Z: 13 43.401 2.477 1.091 0.899 1.000 1.000 CA 1.729 13 residues pruned to eliminate duplicates Z: 185 138.092 2.519 1.074 0.693 0.946 0.647 CB 1.727 152 residues pruned to eliminate duplicates Z: 27 53.062 2.514 1.002 0.845 0.846 0.615 CB 1.817 27 residues pruned to eliminate duplicates Z: 28 56.321 2.477 0.918 0.834 0.963 0.741 CB 1.776 28 residues pruned to eliminate duplicates Z: 79 81.841 2.537 0.968 0.639 0.936 0.615 CB 1.741 79 residues pruned to eliminate duplicates Z: 17 70.750 2.516 1.728 0.901 1.000 0.750 CB 1.840 17 residues pruned to eliminate duplicates Z: 13 42.302 2.619 0.904 0.909 0.917 0.833 CB 1.895 13 residues pruned to eliminate duplicates Z: 31 69.091 2.513 1.379 0.939 0.933 0.333 CB 1.571 31 residues pruned to eliminate duplicates Z: 28 64.003 2.487 1.053 0.880 0.963 0.741 CB 1.815 28 residues pruned to eliminate duplicates Z: 29 54.010 2.312 1.100 0.915 0.893 0.714 CB 1.663 29 residues pruned to eliminate duplicates Z: 27 77.770 2.458 1.416 0.918 0.962 0.538 CB 1.884 27 residues pruned to eliminate duplicates Z: 32 51.508 2.409 0.752 0.915 0.968 0.806 CB 1.601 32 residues pruned to eliminate duplicates Z: 22 58.160 2.525 1.043 0.863 1.000 0.810 CB 1.805 22 residues pruned to eliminate duplicates Z: 27 58.924 2.539 1.020 0.865 0.923 0.654 CB 1.788 27 residues pruned to eliminate duplicates Z: 35 62.088 2.525 1.113 0.637 0.971 0.559 CB 1.808 35 residues pruned to eliminate duplicates Z: 15 54.784 2.538 1.286 0.915 1.000 0.714 CB 1.783 15 residues pruned to eliminate duplicates Z: 19 62.197 2.419 1.352 0.932 1.000 0.833 CB 1.799 19 residues pruned to eliminate duplicates Z: 22 60.997 2.537 1.122 0.877 1.000 0.857 CA 1.796 22 residues pruned to eliminate duplicates Z: 28 52.374 2.436 0.893 0.833 0.926 0.519 CB 1.771 28 residues pruned to eliminate duplicates Z: 12 21.515 2.290 0.715 0.716 0.909 0.727 CA 1.495 12 residues pruned to eliminate duplicates Z: 32 63.819 2.457 1.369 0.902 0.839 0.516 CB 1.675 32 residues pruned to eliminate duplicates Z: 30 73.467 2.528 1.400 0.939 0.966 0.552 CB 1.619 30 residues pruned to eliminate duplicates Z: 30 76.449 2.566 1.390 0.954 0.966 0.621 CB 1.649 30 residues pruned to eliminate duplicates Z: 32 78.672 2.495 1.414 0.950 0.968 0.387 CB 1.672 32 residues pruned to eliminate duplicates Z: 27 49.943 2.370 1.104 0.926 0.808 0.346 CB 1.707 27 residues pruned to eliminate duplicates Z: 28 57.852 2.405 1.012 0.878 0.926 0.667 CB 1.804 28 residues pruned to eliminate duplicates Z: 23 72.928 2.636 1.514 0.951 0.955 0.909 CB 1.694 23 residues pruned to eliminate duplicates Z: 30 66.783 2.360 1.307 0.923 0.966 0.552 CB 1.658 30 residues pruned to eliminate duplicates Z: 28 70.502 2.412 1.307 0.923 0.963 0.481 CB 1.778 28 residues pruned to eliminate duplicates Z: 28 60.049 2.409 0.911 0.927 0.963 0.778 CB 1.827 28 residues pruned to eliminate duplicates Z: 29 63.446 2.346 1.084 0.922 1.000 0.714 CB 1.725 29 residues pruned to eliminate duplicates Z: 31 74.973 2.528 1.427 0.934 0.933 0.667 CB 1.667 31 residues pruned to eliminate duplicates Z: 23 52.447 2.446 0.918 0.884 1.000 0.864 CB 1.722 23 residues pruned to eliminate duplicates Z: 182 141.818 2.496 1.134 0.698 0.950 0.586 CB 1.739 145 residues pruned to eliminate duplicates Z: 31 65.120 2.550 0.949 0.950 0.967 0.833 CB 1.706 31 residues pruned to eliminate duplicates Z: 25 87.452 2.559 1.592 0.935 0.958 0.708 CB 1.957 25 residues pruned to eliminate duplicates Z: 18 42.814 2.383 1.094 0.856 0.941 0.882 CB 1.630 18 residues pruned to eliminate duplicates Z: 19 62.535 2.415 1.349 0.898 1.000 0.611 CB 1.859 19 residues pruned to eliminate duplicates Z: 25 70.728 2.411 1.336 0.943 1.000 0.750 CB 1.776 25 residues pruned to eliminate duplicates Z: 27 63.914 2.472 1.218 0.864 0.962 0.654 CB 1.743 27 residues pruned to eliminate duplicates Z: 28 65.226 2.457 1.179 0.817 0.963 0.741 CA 1.849 28 residues pruned to eliminate duplicates Z: 28 59.402 2.458 0.994 0.828 0.963 0.778 CB 1.823 28 residues pruned to eliminate duplicates Z: 22 62.704 2.477 1.260 0.861 1.000 0.762 CA 1.796 22 residues pruned to eliminate duplicates Z: 24 62.488 2.456 1.243 0.937 0.957 0.565 CB 1.721 24 residues pruned to eliminate duplicates Z: 27 60.577 2.504 1.022 0.853 0.962 0.808 CB 1.804 27 residues pruned to eliminate duplicates Z: 7 7.400 2.029 0.222 0.729 0.833 0.500 CA 1.190 7 residues pruned to eliminate duplicates Z: 27 81.082 2.585 1.366 0.952 1.000 0.577 CB 1.791 28 residues pruned to eliminate duplicates Z: 22 59.562 2.488 1.143 0.861 1.000 0.667 CB 1.792 22 residues pruned to eliminate duplicates Z: 22 56.864 2.412 1.251 0.873 0.952 0.524 CB 1.747 22 residues pruned to eliminate duplicates Z: 27 55.701 2.311 1.042 0.871 1.000 0.808 CB 1.688 27 residues pruned to eliminate duplicates Z: 24 91.568 2.625 1.671 0.938 0.957 0.696 CB 1.980 24 residues pruned to eliminate duplicates Z: 30 81.397 2.588 1.523 0.929 0.966 0.586 CB 1.678 30 residues pruned to eliminate duplicates Z: 28 61.512 2.473 0.927 0.859 0.963 0.704 CA 1.898 28 residues pruned to eliminate duplicates Z: 26 55.172 2.489 0.699 0.929 1.000 0.880 CA 1.827 26 residues pruned to eliminate duplicates Z: 7 7.869 1.927 0.323 0.864 1.000 0.667 CB 0.924 7 residues pruned to eliminate duplicates Z: 22 62.957 2.490 1.331 0.864 1.000 0.762 CB 1.735 22 residues pruned to eliminate duplicates Z: 10 31.538 2.653 0.878 0.873 1.000 1.000 CB 1.537 10 residues pruned to eliminate duplicates Z: 15 30.996 2.318 0.840 0.847 1.000 0.786 CB 1.443 15 residues pruned to eliminate duplicates Z: 7 13.909 1.942 0.728 0.770 1.000 0.667 CA 1.332 7 residues pruned to eliminate duplicates Z: 28 56.209 2.338 0.969 0.929 0.963 0.741 CB 1.708 28 residues pruned to eliminate duplicates Z: 31 61.743 2.505 0.886 0.942 1.000 0.800 CB 1.655 31 residues pruned to eliminate duplicates Z: 25 77.690 2.401 1.691 0.936 0.958 0.625 CB 1.783 25 residues pruned to eliminate duplicates Z: 22 60.175 2.476 1.172 0.915 0.952 0.667 CB 1.812 22 residues pruned to eliminate duplicates Z: 28 71.874 2.523 1.300 0.919 1.000 0.593 CB 1.680 28 residues pruned to eliminate duplicates Z: 10 41.909 2.650 1.067 0.894 1.000 0.889 CB 1.830 10 residues pruned to eliminate duplicates Z: 11 39.402 2.532 1.159 0.764 1.000 0.700 CA 1.803 11 residues pruned to eliminate duplicates Z: 26 73.628 2.379 1.506 0.923 1.000 0.440 CB 1.735 26 residues pruned to eliminate duplicates Z: 22 62.022 2.525 1.226 0.892 1.000 0.810 CB 1.729 22 residues pruned to eliminate duplicates Z: 11 45.333 2.433 1.398 0.831 1.000 0.500 CB 1.846 11 residues pruned to eliminate duplicates Z: 11 31.244 2.453 0.806 0.796 1.000 0.800 CA 1.721 12 residues pruned to eliminate duplicates Z: 25 72.527 2.368 1.586 0.919 1.000 0.417 CB 1.704 25 residues pruned to eliminate duplicates Z: 26 67.238 2.377 1.303 0.937 0.960 0.840 CB 1.780 26 residues pruned to eliminate duplicates Z: 33 59.857 2.389 1.147 0.874 0.969 0.719 CB 1.549 33 residues pruned to eliminate duplicates Z: 22 60.354 2.476 1.384 0.830 0.952 0.476 CB 1.761 22 residues pruned to eliminate duplicates Z: 32 68.972 2.479 1.255 0.915 0.968 0.484 CB 1.618 32 residues pruned to eliminate duplicates Z: 27 73.119 2.470 1.370 0.923 0.923 0.615 CB 1.865 27 residues pruned to eliminate duplicates Z: 22 58.997 2.521 1.081 0.869 1.000 0.762 CA 1.792 22 residues pruned to eliminate duplicates Z: 6 8.856 2.048 0.411 0.689 0.800 0.600 CA 1.440 6 residues pruned to eliminate duplicates Z: 28 55.552 2.473 0.982 0.801 0.963 0.704 CB 1.741 28 residues pruned to eliminate duplicates Z: 11 29.197 2.425 0.789 0.844 0.900 0.800 CA 1.759 11 residues pruned to eliminate duplicates Z: 32 69.741 2.493 1.367 0.941 0.935 0.548 CB 1.574 32 residues pruned to eliminate duplicates Z: 6 9.689 1.996 0.425 0.888 0.800 0.800 CA 1.372 6 residues pruned to eliminate duplicates Z: 25 77.690 2.545 1.447 0.957 1.000 0.708 CB 1.747 25 residues pruned to eliminate duplicates Z: 185 154.106 2.517 1.246 0.720 0.951 0.571 CB 1.732 184 residues pruned to eliminate duplicates Z: 11 37.716 2.448 1.235 0.856 1.000 0.600 CB 1.607 11 residues pruned to eliminate duplicates Z: 32 71.767 2.491 1.324 0.914 0.968 0.710 CB 1.627 32 residues pruned to eliminate duplicates Z: 18 64.227 2.538 1.419 0.907 1.000 0.824 CB 1.804 18 residues pruned to eliminate duplicates Z: 182 130.576 2.545 0.927 0.680 0.945 0.713 CB 1.775 154 residues pruned to eliminate duplicates Z: 15 46.617 2.516 1.038 0.835 1.000 0.571 CB 1.819 15 residues pruned to eliminate duplicates Z: 27 73.330 2.528 1.204 0.946 1.000 0.692 CB 1.784 27 residues pruned to eliminate duplicates Z: 28 58.055 2.439 1.061 0.819 0.963 0.593 CB 1.750 28 residues pruned to eliminate duplicates Z: 19 64.788 2.476 1.355 0.917 1.000 0.722 CB 1.848 19 residues pruned to eliminate duplicates Z: 181 141.032 2.523 1.061 0.695 0.961 0.650 CB 1.761 111 residues pruned to eliminate duplicates Z: 14 35.791 2.327 0.851 0.845 1.000 0.462 CB 1.714 14 residues pruned to eliminate duplicates Z: 11 29.186 2.391 0.859 0.854 1.000 0.800 CB 1.534 11 residues pruned to eliminate duplicates Z: 11 27.578 2.327 1.006 0.808 0.900 0.700 CA 1.588 12 residues pruned to eliminate duplicates Z: 22 29.937 2.351 0.968 0.524 0.810 0.524 CB 1.704 16 residues pruned to eliminate duplicates Z: 18 30.664 2.166 1.097 0.843 0.941 0.471 CB 1.296 Z: 29 54.094 2.359 0.947 0.822 0.929 0.607 CA 1.812 29 residues pruned to eliminate duplicates Z: 27 58.344 2.450 0.989 0.917 0.923 0.808 CB 1.795 27 residues pruned to eliminate duplicates Z: 16 50.066 2.559 1.014 0.939 1.000 0.733 CB 1.743 16 residues pruned to eliminate duplicates Z: 15 37.116 2.465 0.787 0.776 1.000 0.857 CB 1.764 15 residues pruned to eliminate duplicates Z: 26 62.957 2.387 1.236 0.907 0.960 0.800 CA 1.746 26 residues pruned to eliminate duplicates Z: 180 154.174 2.524 1.223 0.704 0.972 0.575 CB 1.754 180 residues pruned to eliminate duplicates Z: 27 60.114 2.431 1.147 0.881 0.923 0.808 CB 1.772 27 residues pruned to eliminate duplicates Z: 18 31.529 2.239 0.833 0.877 1.000 0.588 CB 1.354 18 residues pruned to eliminate duplicates Z: 28 54.570 2.487 0.907 0.925 0.963 0.815 CB 1.614 28 residues pruned to eliminate duplicates Z: 26 67.179 2.556 1.030 0.892 1.000 0.880 CB 1.860 26 residues pruned to eliminate duplicates Z: 182 134.419 2.521 0.970 0.693 0.945 0.713 CB 1.784 182 residues pruned to eliminate duplicates Z: 19 28.757 2.099 0.985 0.847 0.944 0.500 CB 1.278 18 residues pruned to eliminate duplicates Z: 28 58.392 2.495 1.003 0.818 0.926 0.667 CA 1.844 28 residues pruned to eliminate duplicates Z: 11 30.530 2.398 0.935 0.836 0.900 0.900 CA 1.731 11 residues pruned to eliminate duplicates Z: 24 57.999 2.572 0.895 0.931 0.913 0.913 CA 1.899 24 residues pruned to eliminate duplicates Z: 21 64.752 2.497 1.331 0.922 0.950 0.800 CB 1.842 21 residues pruned to eliminate duplicates Z: 26 61.683 2.373 1.191 0.901 0.960 0.720 CB 1.763 26 residues pruned to eliminate duplicates Z: 18 32.767 2.306 0.962 0.852 0.941 0.588 CB 1.381 18 residues pruned to eliminate duplicates Z: 26 67.118 2.349 1.399 0.929 0.960 0.680 CB 1.737 26 residues pruned to eliminate duplicates Z: 71 77.219 2.529 0.940 0.620 0.957 0.700 CB 1.756 71 residues pruned to eliminate duplicates Z: 24 71.834 2.449 1.477 0.949 1.000 0.565 CB 1.703 24 residues pruned to eliminate duplicates Z: 32 60.027 2.464 0.858 0.917 1.000 0.935 CB 1.663 32 residues pruned to eliminate duplicates Z: 28 55.675 2.363 0.812 0.924 1.000 0.852 CB 1.757 28 residues pruned to eliminate duplicates Z: 184 153.749 2.570 1.197 0.708 0.962 0.546 CB 1.733 143 residues pruned to eliminate duplicates Z: 31 58.474 2.478 0.809 0.939 1.000 0.633 CB 1.655 31 residues pruned to eliminate duplicates Z: 27 66.380 2.293 1.511 0.944 0.923 0.615 CB 1.696 27 residues pruned to eliminate duplicates Z: 28 47.315 2.449 0.852 0.867 0.852 0.481 CB 1.724 28 residues pruned to eliminate duplicates Z: 27 62.524 2.455 0.827 0.942 1.000 0.846 CB 1.896 27 residues pruned to eliminate duplicates Z: 7 6.244 1.978 0.365 0.703 0.667 0.667 CA 1.177 7 residues pruned to eliminate duplicates Z: 17 42.232 2.427 0.712 0.869 1.000 0.688 CB 1.856 17 residues pruned to eliminate duplicates Z: 181 151.960 2.552 1.170 0.703 0.961 0.589 CB 1.769 181 residues pruned to eliminate duplicates Z: 21 40.735 2.482 0.787 0.910 0.950 0.950 CB 1.533 21 residues pruned to eliminate duplicates Z: 18 37.614 2.347 1.066 0.846 0.941 0.706 CB 1.486 18 residues pruned to eliminate duplicates Z: 28 65.438 2.408 1.040 0.947 1.000 0.815 CB 1.772 28 residues pruned to eliminate duplicates Z: 26 51.140 2.291 0.875 0.922 1.000 0.920 CA 1.675 26 residues pruned to eliminate duplicates Z: 22 46.273 2.422 0.995 0.793 0.905 0.571 CB 1.786 22 residues pruned to eliminate duplicates Z: 17 27.830 2.129 0.722 0.866 0.875 0.625 CA 1.587 17 residues pruned to eliminate duplicates Z: 98 84.655 2.430 0.968 0.586 0.948 0.619 CB 1.745 98 residues pruned to eliminate duplicates Z: 18 42.718 2.358 1.138 0.877 1.000 0.588 CB 1.493 18 residues pruned to eliminate duplicates Z: 58 85.189 2.498 1.095 0.774 0.965 0.649 CB 1.754 58 residues pruned to eliminate duplicates Z: 24 51.432 2.316 1.013 0.937 0.957 0.652 CB 1.674 24 residues pruned to eliminate duplicates Z: 25 56.541 2.378 1.196 0.907 0.875 0.750 CA 1.795 25 residues pruned to eliminate duplicates Z: 18 53.818 2.489 1.303 0.885 1.000 0.765 CB 1.645 18 residues pruned to eliminate duplicates Z: 31 80.475 2.515 1.443 0.942 1.000 0.733 CB 1.659 31 residues pruned to eliminate duplicates Z: 29 61.394 2.418 1.046 0.848 0.964 0.607 CB 1.804 29 residues pruned to eliminate duplicates Z: 22 66.631 2.509 1.312 0.877 1.000 0.667 CA 1.822 22 residues pruned to eliminate duplicates Z: 29 62.729 2.339 1.053 0.943 1.000 0.786 CB 1.711 29 residues pruned to eliminate duplicates Z: 22 63.887 2.574 1.222 0.944 1.000 0.857 CB 1.688 22 residues pruned to eliminate duplicates Z: 20 30.241 2.040 0.853 0.887 1.000 0.842 CB 1.323 21 residues pruned to eliminate duplicates Z: 31 64.669 2.470 1.516 0.948 0.867 0.333 CB 1.514 14 residues pruned to eliminate duplicates Z: 118 111.691 2.503 0.975 0.711 0.974 0.752 CB 1.770 61 residues pruned to eliminate duplicates Z: 28 60.047 2.428 1.061 0.920 0.926 0.815 CB 1.756 28 residues pruned to eliminate duplicates Z: 25 70.791 2.364 1.568 0.936 0.958 0.458 CB 1.730 25 residues pruned to eliminate duplicates Z: 22 56.174 2.489 1.122 0.852 1.000 0.714 CB 1.717 22 residues pruned to eliminate duplicates Z: 22 58.556 2.463 1.449 0.929 0.952 0.476 CB 1.556 22 residues pruned to eliminate duplicates Z: 11 27.742 2.386 0.716 0.907 1.000 0.600 CB 1.523 11 residues pruned to eliminate duplicates Z: 31 79.853 2.554 1.448 0.931 0.967 0.633 CB 1.685 31 residues pruned to eliminate duplicates Z: 88 77.926 2.432 0.949 0.585 0.920 0.506 CB 1.766 88 residues pruned to eliminate duplicates Z: 28 69.916 2.443 1.198 0.937 1.000 0.593 CB 1.744 28 residues pruned to eliminate duplicates Z: 21 52.437 2.473 1.039 0.862 0.950 0.600 CB 1.796 21 residues pruned to eliminate duplicates Z: 25 52.468 2.349 0.884 0.941 1.000 0.958 CA 1.679 25 residues pruned to eliminate duplicates Z: 25 52.732 2.334 0.826 0.959 1.000 0.917 CB 1.730 25 residues pruned to eliminate duplicates Z: 17 22.520 2.316 0.559 0.532 0.875 0.625 CB 1.727 17 residues pruned to eliminate duplicates Z: 24 56.977 2.568 0.876 0.924 0.913 0.826 CB 1.897 24 residues pruned to eliminate duplicates Z: 24 92.355 2.636 1.547 0.944 1.000 0.609 CB 1.987 24 residues pruned to eliminate duplicates Z: 92 104.101 2.472 1.039 0.729 0.967 0.703 CB 1.822 92 residues pruned to eliminate duplicates Z: 11 24.841 2.244 0.701 0.857 0.900 0.900 CA 1.685 11 residues pruned to eliminate duplicates Z: 230 169.194 2.552 1.122 0.710 0.969 0.611 CB 1.760 230 residues pruned to eliminate duplicates Z: 6 5.357 2.076 0.227 0.578 0.600 0.600 CA 1.454 Z: 9 6.804 1.642 0.195 0.725 0.875 0.500 CB 1.144 9 residues pruned to eliminate duplicates Z: 28 63.281 2.316 1.532 0.890 0.926 0.481 CB 1.613 28 residues pruned to eliminate duplicates Z: 18 32.839 2.258 0.952 0.868 0.941 0.765 CB 1.403 18 residues pruned to eliminate duplicates Z: 28 63.493 2.496 1.147 0.826 0.963 0.778 CB 1.786 28 residues pruned to eliminate duplicates Z: 28 62.062 2.430 0.860 0.932 1.000 0.778 CB 1.844 28 residues pruned to eliminate duplicates Z: 14 39.657 2.560 0.766 0.860 1.000 1.000 CB 1.788 14 residues pruned to eliminate duplicates Z: 26 73.634 2.476 1.229 0.942 1.000 0.720 CB 1.851 26 residues pruned to eliminate duplicates Z: 18 35.548 2.213 1.163 0.888 1.000 0.588 CB 1.298 18 residues pruned to eliminate duplicates Z: 20 30.930 2.051 0.952 0.885 1.000 0.737 CB 1.279 20 residues pruned to eliminate duplicates Z: 183 133.776 2.511 1.053 0.671 0.940 0.621 CB 1.749 183 residues pruned to eliminate duplicates Z: 28 55.248 2.403 0.964 0.914 0.963 0.519 CB 1.655 28 residues pruned to eliminate duplicates Z: 19 33.015 2.157 0.813 0.881 1.000 0.944 CB 1.441 18 residues pruned to eliminate duplicates Z: 27 58.236 2.447 0.834 0.932 1.000 0.846 CB 1.778 27 residues pruned to eliminate duplicates Z: 27 67.826 2.539 1.034 0.877 1.000 0.769 CA 1.871 27 residues pruned to eliminate duplicates Z: 24 70.313 2.442 1.523 0.943 0.957 0.304 CB 1.724 24 residues pruned to eliminate duplicates Z: 11 25.561 2.352 0.736 0.895 0.900 0.800 CB 1.577 11 residues pruned to eliminate duplicates Z: 17 31.181 2.232 0.946 0.860 1.000 0.500 CB 1.320 17 residues pruned to eliminate duplicates Z: 147 122.483 2.478 1.073 0.696 0.966 0.671 CB 1.708 147 residues pruned to eliminate duplicates Z: 125 105.457 2.514 0.965 0.682 0.927 0.718 CB 1.748 125 residues pruned to eliminate duplicates Z: 28 65.951 2.511 1.343 0.940 0.926 0.519 CB 1.617 28 residues pruned to eliminate duplicates Z: 8 8.176 1.834 0.990 0.798 1.000 0.714 CB 0.652 8 residues pruned to eliminate duplicates Z: 28 61.577 2.423 1.053 0.893 0.963 0.630 CB 1.775 28 residues pruned to eliminate duplicates Z: 27 73.392 2.293 1.566 0.939 1.000 0.808 CB 1.700 27 residues pruned to eliminate duplicates Z: 18 26.339 2.212 0.552 0.850 1.000 0.765 CB 1.378 18 residues pruned to eliminate duplicates Z: 18 34.492 2.328 0.987 0.849 0.941 0.353 CB 1.424 18 residues pruned to eliminate duplicates Z: 25 52.641 2.390 0.772 0.945 1.000 1.000 CA 1.756 25 residues pruned to eliminate duplicates Z: 7 8.908 1.687 0.949 0.809 0.833 0.667 CA 1.014 7 residues pruned to eliminate duplicates Z: 28 68.764 2.459 1.409 0.928 0.963 0.704 CB 1.625 28 residues pruned to eliminate duplicates Z: 26 58.820 2.467 0.994 0.921 0.920 0.680 CB 1.829 26 residues pruned to eliminate duplicates Z: 19 49.435 2.398 1.237 0.907 0.944 0.667 CB 1.635 19 residues pruned to eliminate duplicates Z: 29 49.918 2.362 0.853 0.813 0.964 0.607 CB 1.702 29 residues pruned to eliminate duplicates Z: 181 133.031 2.489 1.090 0.673 0.950 0.589 CB 1.709 181 residues pruned to eliminate duplicates Z: 28 63.024 2.472 1.227 0.804 0.926 0.704 CB 1.825 28 residues pruned to eliminate duplicates Z: 18 29.261 2.231 0.951 0.854 0.941 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 181 146.625 2.555 1.155 0.676 0.956 0.561 CB 1.766 181 residues pruned to eliminate duplicates Z: 6 12.630 2.335 0.407 0.614 1.000 0.600 CB 1.543 6 residues pruned to eliminate duplicates Z: 31 61.087 2.480 1.020 0.927 0.967 0.900 CB 1.613 31 residues pruned to eliminate duplicates Z: 182 145.744 2.507 1.192 0.700 0.961 0.591 CB 1.709 182 residues pruned to eliminate duplicates Z: 32 78.326 2.468 1.496 0.942 0.968 0.548 CB 1.636 32 residues pruned to eliminate duplicates Z: 31 80.521 2.541 1.277 0.949 1.000 0.800 CB 1.754 31 residues pruned to eliminate duplicates Z: 21 38.995 2.286 1.167 0.856 0.800 0.300 CB 1.622 21 residues pruned to eliminate duplicates Z: 143 124.512 2.520 1.071 0.690 0.951 0.697 CB 1.771 143 residues pruned to eliminate duplicates Z: 26 60.875 2.338 1.328 0.895 0.960 0.480 CB 1.670 26 residues pruned to eliminate duplicates Z: 13 24.525 2.140 1.147 0.755 0.917 0.667 CA 1.340 13 residues pruned to eliminate duplicates Z: 184 151.224 2.555 1.169 0.692 0.956 0.612 CB 1.770 63 residues pruned to eliminate duplicates Z: 18 59.481 2.336 1.473 0.938 1.000 0.647 CB 1.736 18 residues pruned to eliminate duplicates Z: 45 53.855 2.498 0.904 0.711 0.864 0.568 CB 1.632 45 residues pruned to eliminate duplicates Z: 182 155.557 2.566 1.192 0.691 0.967 0.586 CB 1.786 182 residues pruned to eliminate duplicates Z: 20 57.904 2.580 1.290 0.868 0.947 0.684 CB 1.735 20 residues pruned to eliminate duplicates Z: 18 29.571 2.273 0.823 0.828 0.941 0.647 CB 1.384 18 residues pruned to eliminate duplicates Z: 6 3.861 1.457 0.762 0.295 0.800 0.600 N 1.058 Z: 95 82.738 2.396 1.012 0.671 0.904 0.511 CB 1.671 95 residues pruned to eliminate duplicates Z: 66 58.568 2.413 0.892 0.587 0.908 0.723 CB 1.613 66 residues pruned to eliminate duplicates Z: 18 47.939 2.433 0.998 0.918 1.000 0.882 CB 1.687 18 residues pruned to eliminate duplicates Z: 11 18.687 2.007 0.728 0.889 0.900 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 17 28.224 2.319 0.790 0.588 1.000 0.562 CB 1.563 17 residues pruned to eliminate duplicates Z: 31 59.368 2.510 0.786 0.937 0.967 0.900 CB 1.741 31 residues pruned to eliminate duplicates Z: 6 8.682 1.626 0.615 0.717 1.000 0.600 CB 1.215 Z: 119 110.187 2.471 1.041 0.705 0.941 0.703 CB 1.773 126 residues pruned to eliminate duplicates Z: 18 62.206 2.430 1.629 0.866 0.941 0.647 CB 1.837 18 residues pruned to eliminate duplicates Z: 180 150.902 2.564 1.162 0.689 0.950 0.620 CB 1.801 186 residues pruned to eliminate duplicates Z: 22 59.107 2.493 1.074 0.862 1.000 0.810 CB 1.831 22 residues pruned to eliminate duplicates Z: 50 44.586 2.371 0.705 0.496 0.918 0.510 CB 1.723 50 residues pruned to eliminate duplicates Z: 28 64.375 2.515 1.048 0.821 0.963 0.778 CA 1.891 28 residues pruned to eliminate duplicates Z: 23 65.298 2.436 1.373 0.862 1.000 0.818 CB 1.769 23 residues pruned to eliminate duplicates Z: 9 7.798 1.599 0.729 0.730 1.000 0.625 CB 0.811 9 residues pruned to eliminate duplicates Z: 28 55.118 2.444 1.071 0.841 0.926 0.519 CB 1.687 28 residues pruned to eliminate duplicates Z: 145 114.255 2.424 1.028 0.744 0.931 0.653 CB 1.672 150 residues pruned to eliminate duplicates Z: 20 28.467 2.021 0.950 0.868 1.000 0.474 CB 1.211 20 residues pruned to eliminate duplicates Z: 47 65.478 2.343 1.182 0.797 0.957 0.739 CB 1.522 47 residues pruned to eliminate duplicates Z: 181 154.729 2.529 1.202 0.705 0.978 0.644 CB 1.757 181 residues pruned to eliminate duplicates Z: 42 71.327 2.449 1.092 0.803 0.927 0.805 CB 1.800 42 residues pruned to eliminate duplicates Z: 81 97.153 2.503 1.063 0.726 0.975 0.538 CB 1.760 81 residues pruned to eliminate duplicates Z: 80 80.903 2.503 0.984 0.649 0.949 0.658 CB 1.681 80 residues pruned to eliminate duplicates Z: 44 52.009 2.397 0.783 0.657 0.907 0.558 CB 1.769 44 residues pruned to eliminate duplicates Z: 30 67.177 2.542 1.420 0.940 0.931 0.552 CB 1.513 30 residues pruned to eliminate duplicates Z: 9 20.240 2.207 0.479 0.877 1.000 0.625 CB 1.592 9 residues pruned to eliminate duplicates Z: 103 100.875 2.512 1.001 0.694 0.971 0.686 CB 1.714 102 residues pruned to eliminate duplicates Z: 22 54.013 2.511 1.057 0.892 0.952 0.762 CB 1.722 22 residues pruned to eliminate duplicates Z: 6 2.544 1.275 0.686 0.285 1.000 0.800 N 0.674 Z: 144 135.347 2.552 1.187 0.700 0.979 0.622 CB 1.726 139 residues pruned to eliminate duplicates Z: 53 93.240 2.639 1.129 0.801 1.000 0.808 CB 1.769 53 residues pruned to eliminate duplicates Z: 7 11.795 1.895 0.473 0.837 1.000 0.667 CB 1.291 Z: 11 13.039 1.927 0.255 0.875 0.900 0.700 CA 1.378 11 residues pruned to eliminate duplicates Z: 8 10.368 1.833 0.696 0.779 0.857 0.714 CB 1.150 8 residues pruned to eliminate duplicates Z: 12 17.111 2.000 1.164 0.458 0.818 0.636 CB 1.521 12 residues pruned to eliminate duplicates Z: 176 138.815 2.478 1.176 0.737 0.937 0.474 CB 1.679 176 residues pruned to eliminate duplicates Z: 29 61.189 2.425 1.022 0.846 1.000 0.679 CA 1.752 29 residues pruned to eliminate duplicates Z: 30 78.845 2.592 1.290 0.932 1.000 0.793 CB 1.722 30 residues pruned to eliminate duplicates Z: 32 55.371 2.462 0.691 0.933 0.968 0.871 CB 1.722 32 residues pruned to eliminate duplicates Z: 180 131.557 2.560 0.926 0.690 0.944 0.665 CB 1.775 180 residues pruned to eliminate duplicates Z: 19 53.968 2.397 1.116 0.868 1.000 0.889 CB 1.833 19 residues pruned to eliminate duplicates Z: 6 7.785 2.247 0.498 0.705 0.600 0.600 CB 1.431 Z: 19 34.962 2.325 1.009 0.831 0.944 0.556 CB 1.403 19 residues pruned to eliminate duplicates Z: 21 49.987 2.486 0.964 0.828 0.950 0.900 CB 1.816 21 residues pruned to eliminate duplicates Z: 110 85.470 2.330 1.040 0.658 0.927 0.587 CB 1.605 110 residues pruned to eliminate duplicates Z: 185 142.883 2.511 1.164 0.712 0.929 0.538 CB 1.721 185 residues pruned to eliminate duplicates Z: 6 5.951 2.197 -0.115 0.548 1.000 0.400 CB 1.306 6 residues pruned to eliminate duplicates Z: 12 25.623 2.219 0.745 0.859 1.000 0.636 CB 1.469 12 residues pruned to eliminate duplicates Z: 141 125.355 2.546 1.001 0.734 0.964 0.743 CB 1.747 141 residues pruned to eliminate duplicates Z: 19 36.309 2.265 0.822 0.857 1.000 0.778 CB 1.529 19 residues pruned to eliminate duplicates Z: 181 148.659 2.560 1.123 0.674 0.978 0.572 CB 1.776 181 residues pruned to eliminate duplicates Z: 29 40.358 2.240 0.901 0.618 0.929 0.571 CB 1.726 29 residues pruned to eliminate duplicates Z: 23 25.774 2.167 0.824 0.434 0.909 0.500 CB 1.636 23 residues pruned to eliminate duplicates Z: 127 123.598 2.541 1.241 0.682 0.944 0.603 CB 1.731 136 residues pruned to eliminate duplicates Z: 7 14.051 1.819 0.967 0.838 1.000 1.000 CA 1.198 7 residues pruned to eliminate duplicates Z: 91 98.160 2.511 1.230 0.667 0.933 0.556 CB 1.696 91 residues pruned to eliminate duplicates Z: 182 146.959 2.513 1.160 0.698 0.967 0.608 CB 1.738 189 residues pruned to eliminate duplicates Z: 57 76.649 2.568 0.949 0.671 0.982 0.714 CB 1.779 57 residues pruned to eliminate duplicates Z: 6 6.631 1.627 0.381 0.743 1.000 1.000 CA 1.062 6 residues pruned to eliminate duplicates Z: 32 69.369 2.398 1.429 0.900 0.968 0.387 CB 1.579 32 residues pruned to eliminate duplicates Z: 23 60.370 2.468 1.330 0.933 0.955 0.545 CB 1.637 23 residues pruned to eliminate duplicates Z: 141 127.415 2.559 1.059 0.709 0.950 0.671 CB 1.779 141 residues pruned to eliminate duplicates Z: 6 9.512 1.944 0.682 0.653 1.000 0.600 CB 1.128 6 residues pruned to eliminate duplicates Z: 26 39.678 2.393 0.968 0.836 0.840 0.360 CB 1.502 26 residues pruned to eliminate duplicates Z: 180 139.550 2.520 1.155 0.658 0.944 0.570 CB 1.757 80 residues pruned to eliminate duplicates Z: 6 4.128 2.033 0.241 0.299 0.600 0.600 CB 1.527 Z: 18 35.509 2.355 0.919 0.869 0.941 0.706 CB 1.479 18 residues pruned to eliminate duplicates Z: 19 56.383 2.399 1.564 0.820 0.944 0.222 CB 1.734 19 residues pruned to eliminate duplicates Z: 18 42.590 2.323 1.059 0.873 1.000 0.824 CB 1.573 18 residues pruned to eliminate duplicates Z: 184 124.554 2.475 0.948 0.707 0.923 0.699 CB 1.713 184 residues pruned to eliminate duplicates Z: 25 65.311 2.326 1.406 0.917 1.000 0.583 CB 1.682 25 residues pruned to eliminate duplicates Z: 59 74.042 2.482 1.192 0.560 0.966 0.569 CB 1.747 59 residues pruned to eliminate duplicates Z: 181 137.654 2.523 1.055 0.693 0.933 0.683 CB 1.777 158 residues pruned to eliminate duplicates Z: 25 36.157 2.219 1.030 0.724 0.958 0.750 CB 1.397 25 residues pruned to eliminate duplicates Z: 21 42.481 2.300 1.074 0.850 0.950 0.750 CB 1.552 21 residues pruned to eliminate duplicates Z: 39 70.025 2.555 1.257 0.629 0.974 0.579 CB 1.792 39 residues pruned to eliminate duplicates Z: 7 7.063 1.618 0.285 0.858 1.000 1.000 CA 1.021 7 residues pruned to eliminate duplicates Z: 25 28.221 2.207 0.484 0.796 0.958 0.875 CB 1.415 25 residues pruned to eliminate duplicates Z: 6 7.340 1.670 0.653 0.768 0.800 0.800 CB 1.172 6 residues pruned to eliminate duplicates Z: 14 39.456 2.480 0.754 0.914 1.000 0.923 CB 1.779 14 residues pruned to eliminate duplicates Z: 19 39.316 2.257 1.037 0.855 0.944 0.722 CB 1.575 19 residues pruned to eliminate duplicates Z: 49 73.384 2.369 1.076 0.786 0.958 0.833 CB 1.747 49 residues pruned to eliminate duplicates Z: 171 139.110 2.568 1.067 0.709 0.941 0.706 CB 1.766 171 residues pruned to eliminate duplicates Z: 7 4.634 1.452 0.087 0.612 1.000 0.500 N 1.078 Z: 28 57.521 2.361 1.088 0.915 0.926 0.481 CB 1.714 28 residues pruned to eliminate duplicates Z: 7 9.419 1.828 0.905 0.699 0.833 0.667 CA 1.105 7 residues pruned to eliminate duplicates Z: 31 67.871 2.483 1.157 0.920 1.000 0.800 CB 1.630 31 residues pruned to eliminate duplicates Z: 177 144.485 2.541 1.166 0.740 0.932 0.636 CB 1.713 177 residues pruned to eliminate duplicates Z: 22 55.905 2.447 1.326 0.952 0.905 0.238 CB 1.631 22 residues pruned to eliminate duplicates Z: 29 52.570 2.433 1.163 0.653 1.000 0.607 CB 1.638 29 residues pruned to eliminate duplicates Z: 18 31.586 2.257 1.047 0.850 0.941 0.647 CB 1.305 18 residues pruned to eliminate duplicates Z: 19 29.190 2.074 0.963 0.869 1.000 0.611 CB 1.235 19 residues pruned to eliminate duplicates Z: 184 148.053 2.532 1.169 0.691 0.967 0.503 CB 1.730 184 residues pruned to eliminate duplicates Z: 28 52.033 2.422 0.782 0.838 0.963 0.778 CA 1.801 28 residues pruned to eliminate duplicates Z: 184 128.634 2.488 0.986 0.683 0.951 0.628 CB 1.711 184 residues pruned to eliminate duplicates Z: 6 6.166 2.016 0.344 0.666 0.800 0.600 CB 1.091 Z: 21 48.515 2.503 0.954 0.876 1.000 0.850 CA 1.612 21 residues pruned to eliminate duplicates Z: 16 29.498 2.325 1.030 0.632 0.867 0.733 CB 1.644 16 residues pruned to eliminate duplicates Z: 10 35.741 2.371 0.946 0.911 1.000 0.889 CA 1.830 10 residues pruned to eliminate duplicates Z: 181 124.689 2.440 0.988 0.693 0.939 0.667 CB 1.710 187 residues pruned to eliminate duplicates Z: 181 150.676 2.545 1.171 0.679 0.961 0.583 CB 1.794 113 residues pruned to eliminate duplicates Z: 140 125.233 2.557 1.082 0.696 0.950 0.676 CB 1.756 140 residues pruned to eliminate duplicates Z: 184 135.473 2.534 0.965 0.685 0.962 0.694 CB 1.764 184 residues pruned to eliminate duplicates Z: 8 5.916 1.691 0.672 0.361 0.857 0.429 CA 1.071 Z: 161 139.553 2.514 1.162 0.692 0.963 0.500 CB 1.769 161 residues pruned to eliminate duplicates Z: 21 45.198 2.359 1.151 0.799 0.850 0.750 CB 1.804 21 residues pruned to eliminate duplicates Z: 23 85.214 2.603 1.585 0.958 0.955 0.727 CB 1.939 23 residues pruned to eliminate duplicates Z: 29 56.089 2.408 0.845 0.853 0.964 0.714 CA 1.829 29 residues pruned to eliminate duplicates Z: 11 30.409 2.368 1.040 0.694 0.900 0.800 CA 1.852 11 residues pruned to eliminate duplicates Z: 115 123.568 2.526 1.217 0.726 0.965 0.614 CB 1.747 115 residues pruned to eliminate duplicates Z: 31 41.161 2.409 0.891 0.559 0.933 0.633 CB 1.668 31 residues pruned to eliminate duplicates Z: 15 16.661 2.150 0.775 0.647 0.786 0.643 CB 1.295 15 residues pruned to eliminate duplicates Z: 11 27.980 2.325 0.893 0.770 1.000 0.500 CA 1.582 Z: 8 4.868 1.690 0.305 0.302 0.714 0.429 N 1.457 8 residues pruned to eliminate duplicates Z: 18 31.109 2.271 0.978 0.890 0.882 0.529 CB 1.370 18 residues pruned to eliminate duplicates Z: 19 27.316 2.068 0.867 0.894 0.944 0.944 CB 1.267 19 residues pruned to eliminate duplicates Z: 26 55.004 2.555 0.781 0.947 0.960 0.880 CB 1.741 26 residues pruned to eliminate duplicates Z: 72 94.343 2.517 1.073 0.749 0.944 0.746 CB 1.821 72 residues pruned to eliminate duplicates Z: 19 27.692 2.209 0.982 0.818 0.889 0.500 CB 1.272 19 residues pruned to eliminate duplicates Z: 203 152.698 2.504 1.167 0.682 0.950 0.604 CB 1.762 203 residues pruned to eliminate duplicates Z: 47 75.519 2.579 1.225 0.720 0.913 0.652 CB 1.742 47 residues pruned to eliminate duplicates Z: 48 74.784 2.390 1.118 0.791 0.979 0.723 CB 1.706 48 residues pruned to eliminate duplicates Z: 43 45.405 2.443 0.739 0.661 0.833 0.595 CB 1.704 54 residues pruned to eliminate duplicates Z: 20 30.746 2.126 1.063 0.810 0.895 0.632 CB 1.372 20 residues pruned to eliminate duplicates Z: 7 8.103 2.008 0.427 0.818 0.833 0.667 CB 1.051 7 residues pruned to eliminate duplicates Z: 29 61.645 2.428 1.317 0.732 0.964 0.536 CB 1.742 29 residues pruned to eliminate duplicates Z: 33 59.081 2.395 1.097 0.771 0.938 0.625 CB 1.746 33 residues pruned to eliminate duplicates Z: 6 13.133 1.723 0.916 0.743 1.000 0.400 CA 1.432 6 residues pruned to eliminate duplicates Z: 214 169.291 2.540 1.179 0.711 0.972 0.653 CB 1.781 214 residues pruned to eliminate duplicates Z: 8 15.161 2.380 0.403 0.817 0.857 0.571 CB 1.520 8 residues pruned to eliminate duplicates Z: 26 47.247 2.523 0.963 0.574 0.960 0.560 CB 1.850 26 residues pruned to eliminate duplicates Z: 17 69.283 2.540 1.671 0.942 1.000 0.438 CB 1.770 17 residues pruned to eliminate duplicates Z: 182 144.679 2.556 1.145 0.682 0.956 0.564 CB 1.735 182 residues pruned to eliminate duplicates Z: 104 117.516 2.558 1.054 0.753 0.981 0.786 CB 1.794 104 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 27 56.821 2.510 1.096 0.837 0.885 0.654 CB 1.791 27 residues pruned to eliminate duplicates Z: 186 146.628 2.512 1.151 0.693 0.957 0.627 CB 1.748 186 residues pruned to eliminate duplicates Z: 29 52.565 2.581 1.053 0.648 0.929 0.714 CB 1.760 26 residues pruned to eliminate duplicates Z: 33 65.615 2.470 1.040 0.767 1.000 0.812 CA 1.818 33 residues pruned to eliminate duplicates Z: 71 72.090 2.476 0.985 0.633 0.914 0.600 CB 1.693 71 residues pruned to eliminate duplicates Z: 52 50.126 2.398 0.908 0.612 0.902 0.627 CB 1.529 35 residues pruned to eliminate duplicates Z: 15 30.392 2.304 0.909 0.621 1.000 0.643 CA 1.647 15 residues pruned to eliminate duplicates Z: 105 101.544 2.487 1.073 0.692 0.962 0.683 CB 1.685 79 residues pruned to eliminate duplicates Z: 11 28.808 2.364 0.732 0.757 1.000 0.500 CA 1.770 11 residues pruned to eliminate duplicates Z: 229 157.794 2.468 1.170 0.702 0.956 0.614 CB 1.698 229 residues pruned to eliminate duplicates Z: 45 60.512 2.497 0.974 0.641 0.932 0.682 CB 1.741 45 residues pruned to eliminate duplicates Z: 181 137.891 2.512 1.026 0.699 0.967 0.678 CB 1.742 181 residues pruned to eliminate duplicates Z: 182 151.727 2.519 1.177 0.690 0.978 0.580 CB 1.767 81 residues pruned to eliminate duplicates Z: 8 5.983 1.673 0.265 0.553 0.857 0.286 N 1.184 Z: 6 4.314 1.809 0.508 0.273 0.800 0.600 CA 1.143 6 residues pruned to eliminate duplicates Z: 181 153.619 2.544 1.141 0.709 0.972 0.639 CB 1.788 181 residues pruned to eliminate duplicates Z: 184 138.619 2.523 1.060 0.697 0.940 0.661 CB 1.751 184 residues pruned to eliminate duplicates Z: 182 156.225 2.528 1.244 0.704 0.972 0.602 CB 1.747 182 residues pruned to eliminate duplicates Z: 185 137.094 2.511 1.012 0.710 0.957 0.690 CB 1.729 193 residues pruned to eliminate duplicates Z: 182 139.304 2.506 1.019 0.701 0.961 0.713 CB 1.772 182 residues pruned to eliminate duplicates Z: 182 154.340 2.526 1.207 0.701 0.978 0.575 CB 1.753 182 residues pruned to eliminate duplicates Z: 180 138.196 2.516 1.002 0.696 0.961 0.704 CB 1.784 180 residues pruned to eliminate duplicates Z: 182 134.752 2.510 1.038 0.688 0.934 0.680 CB 1.765 182 residues pruned to eliminate duplicates Z: 148 122.216 2.505 1.064 0.697 0.932 0.714 CB 1.748 148 residues pruned to eliminate duplicates Z: 185 133.829 2.504 1.045 0.685 0.940 0.679 CB 1.729 185 residues pruned to eliminate duplicates Z: 230 147.274 2.469 1.031 0.707 0.934 0.659 CB 1.721 230 residues pruned to eliminate duplicates Z: 180 139.375 2.529 1.060 0.679 0.950 0.642 CB 1.787 180 residues pruned to eliminate duplicates Z: 121 107.195 2.520 0.963 0.663 0.975 0.667 CB 1.744 121 residues pruned to eliminate duplicates Z: 67 92.142 2.608 1.087 0.733 0.970 0.803 CB 1.743 67 residues pruned to eliminate duplicates Z: 67 90.250 2.595 1.060 0.732 0.970 0.727 CB 1.741 67 residues pruned to eliminate duplicates Z: 181 138.371 2.530 0.982 0.683 0.972 0.700 CB 1.788 181 residues pruned to eliminate duplicates Z: 181 134.197 2.502 1.014 0.677 0.956 0.711 CB 1.765 147 residues pruned to eliminate duplicates Z: 6 11.001 2.026 0.868 0.442 1.000 0.600 CA 1.380 Z: 6 12.403 2.075 0.868 0.451 1.000 0.600 CA 1.504 Z: 6 6.638 1.973 0.835 0.253 0.800 0.600 CB 1.361 6 residues pruned to eliminate duplicates Z: 230 156.383 2.483 1.088 0.709 0.956 0.664 CB 1.724 242 residues pruned to eliminate duplicates Z: 146 130.696 2.545 1.007 0.736 0.972 0.662 CB 1.768 146 residues pruned to eliminate duplicates Z: 172 144.585 2.532 1.136 0.717 0.953 0.655 CB 1.762 172 residues pruned to eliminate duplicates Z: 180 142.411 2.528 1.028 0.702 0.972 0.715 CB 1.776 180 residues pruned to eliminate duplicates Z: 183 144.168 2.535 1.052 0.703 0.962 0.742 CB 1.775 183 residues pruned to eliminate duplicates Z: 181 145.244 2.533 1.062 0.690 0.978 0.700 CB 1.781 181 residues pruned to eliminate duplicates Z: 180 144.987 2.526 1.061 0.707 0.966 0.704 CB 1.785 180 residues pruned to eliminate duplicates Z: 182 142.843 2.527 1.026 0.695 0.961 0.718 CB 1.804 182 residues pruned to eliminate duplicates Z: 184 137.637 2.518 1.040 0.713 0.951 0.661 CB 1.717 184 residues pruned to eliminate duplicates Z: 180 143.114 2.540 1.080 0.696 0.955 0.693 CB 1.773 180 residues pruned to eliminate duplicates Z: 64 92.266 2.626 1.094 0.721 0.968 0.714 CB 1.788 64 residues pruned to eliminate duplicates Z: 185 143.062 2.522 1.026 0.707 0.973 0.707 CB 1.758 185 residues pruned to eliminate duplicates Z: 83 92.772 2.531 0.983 0.683 0.988 0.793 CB 1.747 83 residues pruned to eliminate duplicates Z: 173 141.886 2.550 1.063 0.731 0.948 0.698 CB 1.762 173 residues pruned to eliminate duplicates Z: 130 128.396 2.547 1.040 0.750 0.977 0.752 CB 1.782 130 residues pruned to eliminate duplicates Z: 172 143.319 2.552 1.069 0.727 0.953 0.626 CB 1.774 172 residues pruned to eliminate duplicates Z: 142 130.621 2.524 1.095 0.700 0.972 0.674 CB 1.784 142 residues pruned to eliminate duplicates Z: 182 138.161 2.512 1.047 0.692 0.939 0.652 CB 1.783 182 residues pruned to eliminate duplicates Z: 181 135.799 2.501 1.044 0.690 0.967 0.650 CB 1.720 181 residues pruned to eliminate duplicates Z: 146 125.951 2.520 1.049 0.704 0.966 0.697 CB 1.743 146 residues pruned to eliminate duplicates Z: 181 141.103 2.529 1.116 0.683 0.956 0.617 CB 1.739 157 residues pruned to eliminate duplicates Z: 29 79.350 2.686 1.181 0.831 1.000 0.821 CB 1.923 29 residues pruned to eliminate duplicates Z: 184 142.155 2.525 1.086 0.705 0.940 0.656 CB 1.761 71 residues pruned to eliminate duplicates Z: 10 39.170 2.648 1.021 0.871 1.000 0.667 CB 1.780 10 residues pruned to eliminate duplicates Z: 184 139.333 2.522 1.026 0.708 0.951 0.683 CB 1.755 184 residues pruned to eliminate duplicates Z: 107 119.424 2.528 1.097 0.745 0.981 0.698 CB 1.791 107 residues pruned to eliminate duplicates Z: 177 126.437 2.467 1.041 0.671 0.955 0.665 CB 1.694 177 residues pruned to eliminate duplicates Z: 64 93.148 2.613 1.142 0.716 0.968 0.794 CB 1.780 64 residues pruned to eliminate duplicates Z: 179 141.474 2.523 1.131 0.661 0.966 0.607 CB 1.758 179 residues pruned to eliminate duplicates Z: 184 133.028 2.504 1.040 0.692 0.940 0.634 CB 1.718 184 residues pruned to eliminate duplicates Z: 182 144.210 2.518 1.107 0.698 0.956 0.674 CB 1.764 182 residues pruned to eliminate duplicates Z: 218 165.704 2.519 1.153 0.738 0.963 0.664 CB 1.738 172 residues pruned to eliminate duplicates Z: 33 56.296 2.520 0.788 0.865 0.938 0.875 CB 1.726 33 residues pruned to eliminate duplicates Z: 151 127.741 2.547 1.109 0.669 0.947 0.673 CB 1.755 106 residues pruned to eliminate duplicates Z: 31 53.786 2.442 0.832 0.939 0.967 0.833 CB 1.578 31 residues pruned to eliminate duplicates Z: 107 121.674 2.538 1.154 0.754 0.972 0.717 CB 1.774 107 residues pruned to eliminate duplicates Z: 146 126.012 2.504 1.190 0.679 0.931 0.717 CB 1.738 146 residues pruned to eliminate duplicates Z: 172 139.423 2.541 1.103 0.721 0.959 0.649 CB 1.703 172 residues pruned to eliminate duplicates Z: 106 121.859 2.551 1.159 0.746 0.971 0.686 CB 1.783 106 residues pruned to eliminate duplicates Z: 183 131.746 2.482 1.017 0.671 0.951 0.626 CB 1.753 183 residues pruned to eliminate duplicates Z: 145 128.376 2.520 1.162 0.684 0.951 0.646 CB 1.743 145 residues pruned to eliminate duplicates Z: 181 142.334 2.514 1.137 0.703 0.956 0.672 CB 1.718 181 residues pruned to eliminate duplicates Z: 173 148.223 2.555 1.129 0.726 0.965 0.686 CB 1.756 173 residues pruned to eliminate duplicates Z: 179 146.354 2.526 1.120 0.697 0.966 0.674 CB 1.771 179 residues pruned to eliminate duplicates Z: 160 134.057 2.504 1.107 0.695 0.969 0.642 CB 1.741 160 residues pruned to eliminate duplicates Z: 184 147.531 2.517 1.185 0.713 0.945 0.601 CB 1.730 184 residues pruned to eliminate duplicates Z: 181 146.984 2.537 1.148 0.699 0.961 0.661 CB 1.745 181 residues pruned to eliminate duplicates Z: 181 149.616 2.522 1.177 0.703 0.967 0.583 CB 1.747 181 residues pruned to eliminate duplicates Z: 160 129.440 2.496 1.161 0.664 0.943 0.579 CB 1.733 160 residues pruned to eliminate duplicates Z: 133 138.675 2.553 1.218 0.755 0.970 0.606 CB 1.751 133 residues pruned to eliminate duplicates Z: 217 160.422 2.489 1.177 0.732 0.958 0.653 CB 1.706 217 residues pruned to eliminate duplicates Z: 184 147.334 2.531 1.158 0.714 0.951 0.617 CB 1.728 184 residues pruned to eliminate duplicates Z: 142 132.718 2.523 1.203 0.698 0.957 0.631 CB 1.753 142 residues pruned to eliminate duplicates Z: 181 148.025 2.531 1.124 0.691 0.972 0.600 CB 1.772 181 residues pruned to eliminate duplicates Z: 121 118.588 2.528 1.078 0.778 0.933 0.633 CB 1.727 121 residues pruned to eliminate duplicates Z: 102 115.580 2.531 1.289 0.687 0.970 0.604 CB 1.724 102 residues pruned to eliminate duplicates Z: 184 137.823 2.520 1.099 0.691 0.940 0.617 CB 1.721 184 residues pruned to eliminate duplicates Z: 185 151.958 2.514 1.185 0.707 0.973 0.668 CB 1.737 185 residues pruned to eliminate duplicates Z: 185 138.343 2.500 1.096 0.696 0.951 0.549 CB 1.711 185 residues pruned to eliminate duplicates Z: 142 133.451 2.496 1.246 0.715 0.965 0.617 CB 1.710 142 residues pruned to eliminate duplicates Z: 180 155.405 2.536 1.173 0.716 0.978 0.648 CB 1.772 180 residues pruned to eliminate duplicates Z: 146 132.800 2.510 1.171 0.690 0.979 0.607 CB 1.736 146 residues pruned to eliminate duplicates Z: 45 62.606 2.339 0.990 0.670 0.932 0.750 CB 1.859 45 residues pruned to eliminate duplicates Z: 48 77.982 2.393 1.121 0.729 0.979 0.681 CB 1.863 48 residues pruned to eliminate duplicates Z: 181 147.174 2.543 1.143 0.690 0.961 0.644 CB 1.760 181 residues pruned to eliminate duplicates Z: 122 115.388 2.473 1.163 0.691 0.975 0.595 CB 1.688 122 residues pruned to eliminate duplicates Z: 160 133.815 2.508 1.179 0.713 0.931 0.566 CB 1.720 160 residues pruned to eliminate duplicates Z: 184 144.170 2.524 1.155 0.705 0.945 0.536 CB 1.720 184 residues pruned to eliminate duplicates Z: 141 133.729 2.509 1.262 0.707 0.950 0.579 CB 1.736 141 residues pruned to eliminate duplicates Z: 172 158.229 2.555 1.247 0.739 0.977 0.567 CB 1.742 172 residues pruned to eliminate duplicates Z: 181 152.157 2.539 1.229 0.693 0.956 0.594 CB 1.759 181 residues pruned to eliminate duplicates Z: 131 134.162 2.559 1.280 0.739 0.938 0.669 CB 1.735 131 residues pruned to eliminate duplicates Z: 183 142.616 2.514 1.167 0.683 0.945 0.571 CB 1.736 183 residues pruned to eliminate duplicates Z: 118 117.936 2.494 1.185 0.710 0.966 0.624 CB 1.711 118 residues pruned to eliminate duplicates Z: 182 151.241 2.531 1.193 0.708 0.967 0.630 CB 1.734 182 residues pruned to eliminate duplicates Z: 184 145.464 2.520 1.169 0.709 0.956 0.563 CB 1.701 184 residues pruned to eliminate duplicates Z: 131 122.877 2.489 1.244 0.668 0.962 0.554 CB 1.718 131 residues pruned to eliminate duplicates Z: 164 148.771 2.563 1.253 0.723 0.939 0.607 CB 1.758 164 residues pruned to eliminate duplicates Z: 184 147.617 2.530 1.159 0.711 0.951 0.574 CB 1.734 184 residues pruned to eliminate duplicates Z: 172 155.637 2.557 1.256 0.732 0.959 0.561 CB 1.746 172 residues pruned to eliminate duplicates Z: 160 136.316 2.505 1.184 0.714 0.962 0.635 CB 1.691 160 residues pruned to eliminate duplicates Z: 146 134.858 2.524 1.301 0.691 0.945 0.593 CB 1.715 146 residues pruned to eliminate duplicates Z: 182 140.380 2.521 1.199 0.675 0.917 0.586 CB 1.746 182 residues pruned to eliminate duplicates Z: 181 147.625 2.523 1.183 0.701 0.950 0.561 CB 1.750 181 residues pruned to eliminate duplicates Z: 172 156.352 2.550 1.275 0.722 0.971 0.567 CB 1.737 172 residues pruned to eliminate duplicates Z: 119 123.064 2.493 1.272 0.698 0.958 0.551 CB 1.743 119 residues pruned to eliminate duplicates Z: 119 125.195 2.514 1.289 0.707 0.949 0.568 CB 1.748 119 residues pruned to eliminate duplicates Z: 49 57.480 2.290 1.120 0.651 0.875 0.667 CB 1.697 49 residues pruned to eliminate duplicates Z: 181 143.970 2.501 1.160 0.692 0.950 0.594 CB 1.753 181 residues pruned to eliminate duplicates Z: 184 146.010 2.521 1.178 0.710 0.945 0.497 CB 1.719 184 residues pruned to eliminate duplicates Z: 146 133.479 2.524 1.208 0.704 0.952 0.628 CB 1.737 146 residues pruned to eliminate duplicates Z: 34 46.577 2.360 1.125 0.593 0.879 0.545 CB 1.683 34 residues pruned to eliminate duplicates Z: 158 138.235 2.518 1.178 0.717 0.955 0.599 CB 1.731 158 residues pruned to eliminate duplicates Z: 185 147.749 2.512 1.159 0.715 0.957 0.630 CB 1.728 185 residues pruned to eliminate duplicates Z: 186 144.351 2.512 1.177 0.697 0.935 0.605 CB 1.734 186 residues pruned to eliminate duplicates Z: 182 151.706 2.525 1.183 0.694 0.961 0.641 CB 1.782 182 residues pruned to eliminate duplicates Z: 131 140.713 2.553 1.297 0.748 0.977 0.654 CB 1.727 131 residues pruned to eliminate duplicates Z: 171 156.818 2.566 1.238 0.724 0.971 0.624 CB 1.762 171 residues pruned to eliminate duplicates Z: 181 154.017 2.527 1.207 0.703 0.967 0.617 CB 1.770 181 residues pruned to eliminate duplicates Z: 180 150.195 2.530 1.171 0.704 0.966 0.659 CB 1.756 180 residues pruned to eliminate duplicates Z: 134 138.589 2.549 1.253 0.733 0.970 0.707 CB 1.750 134 residues pruned to eliminate duplicates Z: 184 150.920 2.524 1.212 0.718 0.951 0.601 CB 1.726 184 residues pruned to eliminate duplicates Z: 181 153.345 2.534 1.214 0.702 0.956 0.622 CB 1.773 181 residues pruned to eliminate duplicates Z: 172 146.688 2.556 1.167 0.734 0.947 0.567 CB 1.732 172 residues pruned to eliminate duplicates Z: 173 148.996 2.555 1.153 0.739 0.965 0.663 CB 1.728 173 residues pruned to eliminate duplicates Z: 188 150.511 2.519 1.185 0.704 0.968 0.594 CB 1.716 74 residues pruned to eliminate duplicates Z: 19 55.766 2.407 1.209 0.900 1.000 0.722 CB 1.765 Z: 17 54.583 2.488 1.059 0.928 1.000 0.938 CB 1.865 17 residues pruned to eliminate duplicates Z: 173 152.333 2.555 1.189 0.741 0.971 0.587 CB 1.723 192 residues pruned to eliminate duplicates Z: 31 49.394 2.457 1.010 0.631 0.933 0.700 CB 1.729 31 residues pruned to eliminate duplicates Z: 183 142.050 2.513 1.167 0.700 0.940 0.659 CB 1.715 183 residues pruned to eliminate duplicates Z: 185 153.072 2.531 1.166 0.707 0.973 0.636 CB 1.752 185 residues pruned to eliminate duplicates Z: 184 148.674 2.541 1.165 0.707 0.962 0.612 CB 1.721 184 residues pruned to eliminate duplicates Z: 141 138.025 2.558 1.220 0.730 0.971 0.571 CB 1.719 141 residues pruned to eliminate duplicates Z: 75 75.130 2.498 1.006 0.685 0.878 0.554 CB 1.674 75 residues pruned to eliminate duplicates Z: 232 159.435 2.470 1.148 0.711 0.961 0.580 CB 1.698 232 residues pruned to eliminate duplicates Z: 21 44.267 2.408 1.149 0.751 0.950 0.750 CB 1.610 21 residues pruned to eliminate duplicates Z: 92 88.093 2.424 1.066 0.737 0.923 0.604 CB 1.615 92 residues pruned to eliminate duplicates Z: 29 47.214 2.464 0.999 0.795 0.857 0.500 CB 1.631 29 residues pruned to eliminate duplicates Z: 172 155.126 2.559 1.213 0.735 0.965 0.643 CB 1.757 172 residues pruned to eliminate duplicates Z: 184 150.065 2.530 1.163 0.708 0.973 0.590 CB 1.726 184 residues pruned to eliminate duplicates Z: 92 89.151 2.419 1.056 0.730 0.945 0.703 CB 1.617 92 residues pruned to eliminate duplicates Z: 70 73.965 2.510 1.072 0.663 0.884 0.493 CB 1.664 70 residues pruned to eliminate duplicates Z: 118 109.387 2.461 1.114 0.707 0.966 0.573 CB 1.668 118 residues pruned to eliminate duplicates Z: 228 166.233 2.497 1.232 0.714 0.952 0.551 CB 1.713 228 residues pruned to eliminate duplicates Z: 27 62.168 2.517 1.039 0.874 0.962 0.731 CB 1.798 27 residues pruned to eliminate duplicates Z: 185 141.064 2.512 1.151 0.689 0.940 0.609 CB 1.721 185 residues pruned to eliminate duplicates Z: 46 61.869 2.483 1.084 0.659 0.911 0.578 CB 1.688 46 residues pruned to eliminate duplicates Z: 181 146.414 2.508 1.180 0.688 0.972 0.600 CB 1.728 181 residues pruned to eliminate duplicates Z: 184 144.915 2.510 1.157 0.701 0.956 0.574 CB 1.723 184 residues pruned to eliminate duplicates Z: 44 62.841 2.517 0.936 0.663 0.953 0.744 CB 1.773 44 residues pruned to eliminate duplicates Z: 73 84.206 2.530 1.042 0.652 0.944 0.750 CB 1.765 73 residues pruned to eliminate duplicates Z: 184 158.631 2.548 1.226 0.706 0.973 0.645 CB 1.762 184 residues pruned to eliminate duplicates Z: 45 60.124 2.482 1.022 0.671 0.909 0.636 CB 1.696 45 residues pruned to eliminate duplicates Z: 38 60.362 2.535 0.913 0.651 0.973 0.703 CB 1.826 38 residues pruned to eliminate duplicates Z: 229 159.643 2.482 1.151 0.710 0.961 0.596 CB 1.704 229 residues pruned to eliminate duplicates Z: 171 155.007 2.564 1.173 0.736 0.976 0.694 CB 1.767 171 residues pruned to eliminate duplicates Z: 29 39.863 2.336 0.804 0.660 0.929 0.714 CA 1.660 29 residues pruned to eliminate duplicates Z: 251 185.727 2.562 1.235 0.730 0.944 0.664 CB 1.766 251 residues pruned to eliminate duplicates Z: 261 176.852 2.533 1.140 0.720 0.954 0.631 CB 1.739 539 residues pruned to eliminate duplicates Z: 12 31.629 2.377 1.146 0.680 1.000 0.636 CB 1.585 12 residues pruned to eliminate duplicates Z: 181 132.762 2.540 0.987 0.693 0.917 0.667 CB 1.792 181 residues pruned to eliminate duplicates Z: 182 143.097 2.564 0.992 0.688 0.972 0.652 CB 1.804 182 residues pruned to eliminate duplicates Z: 70 79.075 2.543 0.987 0.608 0.971 0.609 CB 1.751 70 residues pruned to eliminate duplicates Z: 77 84.298 2.557 0.914 0.653 0.987 0.697 CB 1.736 77 residues pruned to eliminate duplicates Z: 103 97.468 2.558 0.918 0.626 0.961 0.676 CB 1.818 103 residues pruned to eliminate duplicates Z: 183 139.301 2.533 0.973 0.686 0.978 0.681 CB 1.781 183 residues pruned to eliminate duplicates Z: 143 125.837 2.547 1.026 0.704 0.965 0.754 CB 1.762 143 residues pruned to eliminate duplicates Z: 182 146.085 2.572 1.088 0.676 0.961 0.608 CB 1.789 151 residues pruned to eliminate duplicates Z: 14 40.268 2.383 1.197 0.682 1.000 0.692 CB 1.805 Z: 13 40.596 2.589 1.134 0.653 1.000 0.500 CA 1.839 13 residues pruned to eliminate duplicates Z: 164 138.014 2.535 1.104 0.679 0.963 0.613 CB 1.785 178 residues pruned to eliminate duplicates Z: 185 142.773 2.559 1.043 0.694 0.957 0.652 CB 1.762 185 residues pruned to eliminate duplicates Z: 228 148.569 2.523 0.999 0.683 0.952 0.665 CB 1.737 228 residues pruned to eliminate duplicates Z: 122 113.818 2.564 1.035 0.656 0.959 0.645 CB 1.790 122 residues pruned to eliminate duplicates Z: 144 129.826 2.557 1.100 0.700 0.958 0.713 CB 1.758 78 residues pruned to eliminate duplicates Z: 33 56.420 2.359 1.030 0.895 0.969 0.812 CB 1.542 33 residues pruned to eliminate duplicates Z: 184 141.398 2.549 1.064 0.683 0.945 0.634 CB 1.776 184 residues pruned to eliminate duplicates Z: 182 135.081 2.546 1.027 0.680 0.939 0.602 CB 1.755 182 residues pruned to eliminate duplicates Z: 182 151.646 2.572 1.125 0.689 0.972 0.657 CB 1.784 183 residues pruned to eliminate duplicates Z: 31 56.161 2.443 0.956 0.886 0.967 0.633 CB 1.602 31 residues pruned to eliminate duplicates Z: 183 135.510 2.541 1.019 0.681 0.951 0.659 CB 1.744 183 residues pruned to eliminate duplicates Z: 182 137.435 2.555 1.044 0.686 0.939 0.619 CB 1.756 166 residues pruned to eliminate duplicates Z: 32 63.297 2.475 1.028 0.914 0.968 0.774 CB 1.655 32 residues pruned to eliminate duplicates Z: 182 147.130 2.567 1.071 0.693 0.967 0.691 CB 1.784 182 residues pruned to eliminate duplicates Z: 118 117.528 2.552 1.115 0.708 0.949 0.650 CB 1.756 118 residues pruned to eliminate duplicates Z: 184 144.816 2.544 1.073 0.686 0.962 0.623 CB 1.780 184 residues pruned to eliminate duplicates Z: 134 131.581 2.552 1.211 0.714 0.955 0.564 CB 1.745 134 residues pruned to eliminate duplicates Z: 155 121.068 2.515 1.048 0.686 0.935 0.630 CB 1.708 155 residues pruned to eliminate duplicates Z: 145 128.138 2.533 1.113 0.700 0.965 0.618 CB 1.723 145 residues pruned to eliminate duplicates Z: 182 150.828 2.552 1.116 0.704 0.967 0.635 CB 1.783 182 residues pruned to eliminate duplicates Z: 143 141.554 2.562 1.267 0.698 0.972 0.613 CB 1.756 159 residues pruned to eliminate duplicates Z: 32 68.461 2.429 1.377 0.923 0.968 0.452 CB 1.547 32 residues pruned to eliminate duplicates Z: 182 152.047 2.562 1.172 0.694 0.956 0.613 CB 1.780 182 residues pruned to eliminate duplicates Z: 183 153.286 2.569 1.133 0.702 0.978 0.593 CB 1.764 142 residues pruned to eliminate duplicates Z: 32 83.468 2.497 1.620 0.917 1.000 0.452 CB 1.617 32 residues pruned to eliminate duplicates Z: 182 157.819 2.571 1.186 0.697 0.972 0.635 CB 1.793 182 residues pruned to eliminate duplicates Z: 144 132.967 2.552 1.199 0.691 0.972 0.629 CB 1.711 144 residues pruned to eliminate duplicates Z: 182 144.019 2.554 1.084 0.700 0.928 0.597 CB 1.806 182 residues pruned to eliminate duplicates Z: 181 153.983 2.562 1.185 0.705 0.950 0.628 CB 1.791 181 residues pruned to eliminate duplicates Z: 183 155.896 2.567 1.176 0.692 0.967 0.632 CB 1.795 183 residues pruned to eliminate duplicates Z: 47 78.289 2.495 1.182 0.739 0.957 0.696 CB 1.789 47 residues pruned to eliminate duplicates Z: 184 147.929 2.556 1.101 0.703 0.962 0.590 CB 1.761 184 residues pruned to eliminate duplicates Z: 177 153.641 2.565 1.201 0.692 0.977 0.619 CB 1.761 177 residues pruned to eliminate duplicates Z: 129 143.306 2.595 1.324 0.747 0.961 0.641 CB 1.753 129 residues pruned to eliminate duplicates Z: 182 154.408 2.551 1.190 0.694 0.978 0.591 CB 1.760 182 residues pruned to eliminate duplicates Z: 144 137.838 2.569 1.242 0.704 0.958 0.580 CB 1.735 144 residues pruned to eliminate duplicates Z: 187 142.710 2.531 1.114 0.695 0.941 0.543 CB 1.739 187 residues pruned to eliminate duplicates Z: 183 153.205 2.568 1.151 0.692 0.967 0.610 CB 1.783 183 residues pruned to eliminate duplicates Z: 182 147.347 2.570 1.149 0.679 0.939 0.635 CB 1.791 182 residues pruned to eliminate duplicates Z: 181 152.163 2.565 1.173 0.706 0.956 0.611 CB 1.766 181 residues pruned to eliminate duplicates Z: 175 149.915 2.564 1.245 0.692 0.948 0.575 CB 1.748 175 residues pruned to eliminate duplicates Z: 183 146.479 2.551 1.142 0.688 0.945 0.577 CB 1.770 183 residues pruned to eliminate duplicates Z: 102 126.439 2.591 1.281 0.764 0.960 0.525 CB 1.753 102 residues pruned to eliminate duplicates Z: 185 153.964 2.558 1.232 0.683 0.957 0.598 CB 1.757 185 residues pruned to eliminate duplicates Z: 182 151.533 2.547 1.179 0.701 0.967 0.586 CB 1.749 182 residues pruned to eliminate duplicates Z: 153 148.006 2.565 1.252 0.703 0.987 0.579 CB 1.751 153 residues pruned to eliminate duplicates Z: 183 149.796 2.561 1.174 0.683 0.962 0.566 CB 1.753 183 residues pruned to eliminate duplicates Z: 176 156.056 2.566 1.217 0.697 0.977 0.549 CB 1.772 176 residues pruned to eliminate duplicates Z: 170 145.412 2.545 1.208 0.722 0.941 0.574 CB 1.731 170 residues pruned to eliminate duplicates Z: 182 152.968 2.552 1.149 0.697 0.972 0.619 CB 1.781 182 residues pruned to eliminate duplicates Z: 185 148.537 2.547 1.197 0.682 0.946 0.527 CB 1.751 184 residues pruned to eliminate duplicates Z: 28 66.923 2.528 1.238 0.948 0.963 0.778 CB 1.632 28 residues pruned to eliminate duplicates Z: 160 147.244 2.569 1.174 0.699 0.962 0.604 CB 1.813 160 residues pruned to eliminate duplicates Z: 208 159.362 2.528 1.179 0.684 0.976 0.609 CB 1.740 208 residues pruned to eliminate duplicates Z: 154 141.238 2.562 1.234 0.704 0.954 0.562 CB 1.736 154 residues pruned to eliminate duplicates Z: 143 133.512 2.568 1.244 0.682 0.937 0.549 CB 1.757 143 residues pruned to eliminate duplicates Z: 182 163.032 2.571 1.255 0.703 0.967 0.564 CB 1.797 182 residues pruned to eliminate duplicates Z: 183 149.118 2.541 1.159 0.699 0.956 0.571 CB 1.757 183 residues pruned to eliminate duplicates Z: 185 148.346 2.545 1.198 0.702 0.929 0.522 CB 1.750 185 residues pruned to eliminate duplicates Z: 169 137.827 2.562 1.166 0.684 0.929 0.565 CB 1.742 169 residues pruned to eliminate duplicates Z: 180 147.624 2.573 1.142 0.686 0.955 0.570 CB 1.767 180 residues pruned to eliminate duplicates Z: 172 144.295 2.552 1.188 0.670 0.971 0.556 CB 1.740 172 residues pruned to eliminate duplicates Z: 184 152.034 2.578 1.173 0.690 0.956 0.585 CB 1.762 184 residues pruned to eliminate duplicates Z: 126 124.873 2.562 1.222 0.685 0.960 0.600 CB 1.725 126 residues pruned to eliminate duplicates Z: 182 143.429 2.543 1.195 0.668 0.939 0.547 CB 1.740 182 residues pruned to eliminate duplicates Z: 182 159.703 2.564 1.194 0.698 0.978 0.613 CB 1.801 182 residues pruned to eliminate duplicates Z: 184 150.215 2.545 1.160 0.685 0.967 0.514 CB 1.762 184 residues pruned to eliminate duplicates Z: 54 91.535 2.547 1.227 0.786 0.981 0.660 CB 1.757 54 residues pruned to eliminate duplicates Z: 176 154.710 2.571 1.194 0.700 0.971 0.594 CB 1.779 176 residues pruned to eliminate duplicates Z: 179 149.131 2.567 1.202 0.691 0.927 0.573 CB 1.791 179 residues pruned to eliminate duplicates Z: 34 46.712 2.466 0.975 0.607 0.939 0.576 CB 1.606 34 residues pruned to eliminate duplicates Z: 186 150.707 2.567 1.192 0.701 0.941 0.595 CB 1.744 186 residues pruned to eliminate duplicates Z: 161 143.611 2.583 1.204 0.707 0.938 0.544 CB 1.762 161 residues pruned to eliminate duplicates Z: 129 149.049 2.601 1.328 0.741 0.984 0.594 CB 1.781 129 residues pruned to eliminate duplicates Z: 185 147.615 2.560 1.197 0.693 0.935 0.533 CB 1.736 185 residues pruned to eliminate duplicates Z: 231 175.996 2.544 1.190 0.725 0.965 0.626 CB 1.762 184 residues pruned to eliminate duplicates Z: 18 58.571 2.556 1.252 0.892 1.000 0.765 CB 1.772 18 residues pruned to eliminate duplicates Z: 34 59.427 2.428 1.126 0.720 0.909 0.515 CB 1.808 34 residues pruned to eliminate duplicates Z: 145 143.026 2.575 1.235 0.746 0.951 0.535 CB 1.747 145 residues pruned to eliminate duplicates Z: 183 142.106 2.545 1.121 0.672 0.956 0.538 CB 1.741 183 residues pruned to eliminate duplicates Z: 89 117.524 2.554 1.322 0.769 0.977 0.580 CB 1.703 89 residues pruned to eliminate duplicates Z: 179 152.536 2.573 1.158 0.683 0.978 0.629 CB 1.781 179 residues pruned to eliminate duplicates Z: 146 135.731 2.558 1.228 0.693 0.952 0.545 CB 1.742 146 residues pruned to eliminate duplicates Z: 179 141.720 2.541 1.097 0.671 0.966 0.579 CB 1.762 179 residues pruned to eliminate duplicates Z: 212 149.770 2.516 1.121 0.670 0.957 0.555 CB 1.724 212 residues pruned to eliminate duplicates Z: 177 149.533 2.576 1.153 0.702 0.955 0.585 CB 1.772 177 residues pruned to eliminate duplicates Z: 182 153.725 2.574 1.240 0.688 0.939 0.613 CB 1.777 182 residues pruned to eliminate duplicates Z: 184 150.351 2.568 1.201 0.694 0.940 0.541 CB 1.752 184 residues pruned to eliminate duplicates Z: 182 152.636 2.579 1.194 0.685 0.945 0.569 CB 1.791 182 residues pruned to eliminate duplicates Z: 184 156.421 2.573 1.237 0.691 0.967 0.563 CB 1.744 184 residues pruned to eliminate duplicates Z: 45 62.300 2.521 1.131 0.656 0.864 0.568 CB 1.750 45 residues pruned to eliminate duplicates Z: 20 36.506 2.371 0.951 0.590 0.895 0.421 CB 1.856 20 residues pruned to eliminate duplicates Z: 183 153.866 2.572 1.195 0.698 0.951 0.610 CB 1.773 183 residues pruned to eliminate duplicates Z: 183 157.785 2.581 1.205 0.704 0.956 0.549 CB 1.785 183 residues pruned to eliminate duplicates Z: 17 25.913 2.313 0.529 0.608 0.938 0.688 CB 1.763 17 residues pruned to eliminate duplicates Z: 185 150.531 2.561 1.148 0.699 0.957 0.565 CB 1.758 185 residues pruned to eliminate duplicates Z: 160 154.976 2.611 1.229 0.747 0.950 0.591 CB 1.783 160 residues pruned to eliminate duplicates Z: 18 32.267 2.394 0.848 0.582 0.941 0.471 CA 1.737 18 residues pruned to eliminate duplicates Z: 82 100.216 2.517 1.102 0.736 0.963 0.679 CB 1.768 82 residues pruned to eliminate duplicates Z: 44 70.651 2.580 0.942 0.673 0.953 0.581 CB 1.923 44 residues pruned to eliminate duplicates Z: 184 157.411 2.576 1.232 0.687 0.962 0.557 CB 1.773 184 residues pruned to eliminate duplicates Z: 39 56.376 2.501 0.977 0.607 0.947 0.526 CB 1.763 39 residues pruned to eliminate duplicates Z: 180 148.578 2.545 1.191 0.684 0.966 0.570 CB 1.741 180 residues pruned to eliminate duplicates Z: 185 157.709 2.561 1.224 0.693 0.967 0.543 CB 1.768 185 residues pruned to eliminate duplicates Z: 171 159.587 2.599 1.197 0.720 0.976 0.618 CB 1.800 171 residues pruned to eliminate duplicates Z: 46 71.682 2.561 0.954 0.666 0.978 0.578 CB 1.873 46 residues pruned to eliminate duplicates Z: 35 53.739 2.607 0.755 0.662 0.941 0.618 CB 1.842 35 residues pruned to eliminate duplicates Z: 48 57.297 2.457 0.890 0.622 0.915 0.617 CB 1.754 48 residues pruned to eliminate duplicates Z: 36 57.066 2.589 0.906 0.656 0.886 0.629 CB 1.909 36 residues pruned to eliminate duplicates Z: 91 98.782 2.507 0.937 0.710 0.967 0.689 CB 1.833 91 residues pruned to eliminate duplicates Z: 183 157.018 2.574 1.154 0.702 0.984 0.560 CB 1.775 183 residues pruned to eliminate duplicates Z: 183 165.154 2.579 1.219 0.709 0.984 0.648 CB 1.800 183 residues pruned to eliminate duplicates Z: 28 67.434 2.720 1.042 0.675 1.000 0.667 CB 1.989 28 residues pruned to eliminate duplicates Z: 19 30.008 2.586 0.860 0.499 0.889 0.500 CB 1.656 19 residues pruned to eliminate duplicates Z: 185 150.510 2.554 1.195 0.686 0.951 0.516 CB 1.754 185 residues pruned to eliminate duplicates Z: 24 31.783 2.382 0.757 0.491 0.870 0.565 CB 1.837 24 residues pruned to eliminate duplicates Z: 185 161.023 2.578 1.265 0.698 0.957 0.603 CB 1.774 185 residues pruned to eliminate duplicates Z: 184 152.256 2.567 1.165 0.692 0.962 0.563 CB 1.766 184 residues pruned to eliminate duplicates Z: 81 96.010 2.509 1.009 0.734 0.975 0.650 CB 1.771 81 residues pruned to eliminate duplicates Z: 184 157.037 2.576 1.163 0.698 0.973 0.568 CB 1.787 184 residues pruned to eliminate duplicates Z: 184 158.512 2.554 1.250 0.699 0.967 0.536 CB 1.758 184 residues pruned to eliminate duplicates Z: 185 156.741 2.558 1.163 0.702 0.978 0.625 CB 1.777 185 residues pruned to eliminate duplicates Z: 29 39.896 2.439 0.982 0.510 0.929 0.679 CB 1.663 29 residues pruned to eliminate duplicates Z: 35 57.143 2.530 0.879 0.654 0.941 0.647 CB 1.897 35 residues pruned to eliminate duplicates Z: 183 149.234 2.556 1.153 0.698 0.951 0.566 CB 1.765 183 residues pruned to eliminate duplicates Z: 112 103.283 2.562 0.956 0.630 0.946 0.559 CB 1.831 112 residues pruned to eliminate duplicates Z: 184 136.028 2.568 0.997 0.689 0.934 0.683 CB 1.765 184 residues pruned to eliminate duplicates Z: 122 109.430 2.553 0.990 0.651 0.942 0.570 CB 1.807 122 residues pruned to eliminate duplicates Z: 182 152.534 2.574 1.117 0.680 0.967 0.591 CB 1.824 182 residues pruned to eliminate duplicates Z: 72 81.088 2.555 0.959 0.622 0.972 0.662 CB 1.764 72 residues pruned to eliminate duplicates Z: 180 135.499 2.548 0.992 0.674 0.950 0.654 CB 1.790 180 residues pruned to eliminate duplicates Z: 182 151.761 2.562 1.097 0.697 0.972 0.707 CB 1.804 182 residues pruned to eliminate duplicates Z: 21 19.272 2.246 0.636 0.355 0.900 0.350 CB 1.523 21 residues pruned to eliminate duplicates Z: 185 136.500 2.558 0.988 0.696 0.940 0.647 CB 1.760 185 residues pruned to eliminate duplicates Z: 182 140.012 2.555 1.063 0.668 0.939 0.641 CB 1.800 182 residues pruned to eliminate duplicates Z: 72 82.982 2.528 1.000 0.625 0.986 0.634 CB 1.757 72 residues pruned to eliminate duplicates Z: 185 131.490 2.542 0.921 0.696 0.940 0.630 CB 1.765 185 residues pruned to eliminate duplicates Z: 77 75.368 2.511 0.860 0.625 0.947 0.605 CB 1.737 77 residues pruned to eliminate duplicates Z: 183 140.522 2.542 0.958 0.696 0.978 0.687 CB 1.788 183 residues pruned to eliminate duplicates Z: 182 147.092 2.553 1.095 0.694 0.961 0.674 CB 1.781 182 residues pruned to eliminate duplicates Z: 182 145.199 2.569 1.068 0.668 0.967 0.586 CB 1.800 182 residues pruned to eliminate duplicates Z: 181 143.412 2.578 1.038 0.673 0.967 0.656 CB 1.794 181 residues pruned to eliminate duplicates Z: 122 112.386 2.555 1.019 0.647 0.959 0.636 CB 1.801 122 residues pruned to eliminate duplicates Z: 69 76.313 2.518 1.020 0.600 0.941 0.618 CB 1.758 69 residues pruned to eliminate duplicates Z: 182 148.701 2.565 1.083 0.693 0.978 0.641 CB 1.772 182 residues pruned to eliminate duplicates Z: 105 108.876 2.550 1.019 0.698 0.971 0.750 CB 1.783 105 residues pruned to eliminate duplicates Z: 181 144.652 2.578 1.035 0.695 0.950 0.706 CB 1.810 181 residues pruned to eliminate duplicates Z: 180 142.271 2.551 1.095 0.661 0.955 0.620 CB 1.794 180 residues pruned to eliminate duplicates Z: 81 81.640 2.524 0.940 0.639 0.963 0.688 CB 1.701 81 residues pruned to eliminate duplicates Z: 184 144.425 2.557 1.023 0.686 0.967 0.699 CB 1.799 184 residues pruned to eliminate duplicates Z: 182 133.394 2.533 1.014 0.680 0.939 0.691 CB 1.753 182 residues pruned to eliminate duplicates Z: 185 141.394 2.563 1.005 0.705 0.957 0.685 CB 1.759 185 residues pruned to eliminate duplicates Z: 70 78.623 2.556 0.919 0.623 0.971 0.667 CB 1.771 70 residues pruned to eliminate duplicates Z: 151 130.970 2.569 0.989 0.696 0.967 0.700 CB 1.810 151 residues pruned to eliminate duplicates Z: 183 135.185 2.540 0.968 0.685 0.956 0.681 CB 1.770 183 residues pruned to eliminate duplicates Z: 64 89.252 2.616 1.063 0.712 0.984 0.698 CB 1.746 64 residues pruned to eliminate duplicates Z: 181 141.897 2.559 1.038 0.706 0.939 0.700 CB 1.791 112 residues pruned to eliminate duplicates Z: 20 38.185 2.278 1.302 0.786 0.789 0.632 CB 1.646 20 residues pruned to eliminate duplicates Z: 57 84.805 2.605 1.097 0.689 0.964 0.768 CB 1.808 57 residues pruned to eliminate duplicates Z: 58 77.171 2.586 0.998 0.670 0.965 0.702 CB 1.752 58 residues pruned to eliminate duplicates Z: 77 74.920 2.456 1.010 0.591 0.934 0.605 CB 1.708 77 residues pruned to eliminate duplicates Z: 184 137.330 2.533 0.972 0.684 0.962 0.667 CB 1.785 184 residues pruned to eliminate duplicates Z: 78 91.373 2.588 1.045 0.671 0.961 0.688 CB 1.748 78 residues pruned to eliminate duplicates Z: 142 128.965 2.553 1.073 0.720 0.950 0.695 CB 1.770 142 residues pruned to eliminate duplicates Z: 182 140.688 2.550 1.097 0.680 0.934 0.657 CB 1.775 182 residues pruned to eliminate duplicates Z: 57 83.155 2.599 1.084 0.678 0.964 0.625 CB 1.806 57 residues pruned to eliminate duplicates Z: 105 109.591 2.551 1.055 0.681 0.971 0.712 CB 1.787 105 residues pruned to eliminate duplicates Z: 182 139.351 2.553 0.987 0.697 0.956 0.669 CB 1.785 182 residues pruned to eliminate duplicates Z: 79 89.166 2.545 1.031 0.661 0.974 0.628 CB 1.726 79 residues pruned to eliminate duplicates Z: 48 70.221 2.394 0.954 0.782 0.979 0.809 CB 1.745 Z: 10 16.217 2.479 0.509 0.749 1.000 0.667 CB 1.156 10 residues pruned to eliminate duplicates Z: 47 76.341 2.449 1.120 0.794 0.957 0.739 CB 1.752 48 residues pruned to eliminate duplicates Z: 19 37.471 2.264 0.965 0.858 0.944 0.556 CB 1.547 21 residues pruned to eliminate duplicates Z: 18 36.776 2.347 1.047 0.857 0.941 0.588 CB 1.454 18 residues pruned to eliminate duplicates Z: 47 74.448 2.455 1.143 0.764 0.935 0.717 CB 1.766 47 residues pruned to eliminate duplicates Z: 18 38.119 2.323 1.075 0.860 1.000 0.706 CB 1.411 18 residues pruned to eliminate duplicates Z: 46 78.630 2.466 1.183 0.808 0.956 0.711 CB 1.743 46 residues pruned to eliminate duplicates Z: 18 39.721 2.363 1.001 0.860 1.000 0.588 CB 1.498 18 residues pruned to eliminate duplicates Z: 23 32.126 2.291 1.130 0.668 0.909 0.455 CB 1.322 23 residues pruned to eliminate duplicates Z: 218 175.742 2.561 1.175 0.732 0.982 0.613 CB 1.771 263 residues pruned to eliminate duplicates Z: 216 158.723 2.550 1.124 0.696 0.958 0.572 CB 1.744 216 residues pruned to eliminate duplicates Z: 48 75.840 2.425 1.083 0.803 0.979 0.766 CB 1.717 Z: 18 42.818 2.367 1.093 0.873 1.000 0.765 CB 1.527 21 residues pruned to eliminate duplicates Z: 18 43.624 2.345 1.164 0.866 1.000 0.588 CB 1.526 18 residues pruned to eliminate duplicates Z: 18 42.320 2.388 1.062 0.866 1.000 0.647 CB 1.525 18 residues pruned to eliminate duplicates Z: 18 44.073 2.364 1.195 0.867 1.000 0.412 CB 1.507 18 residues pruned to eliminate duplicates Z: 167 147.157 2.526 1.204 0.754 0.946 0.639 CB 1.730 212 residues pruned to eliminate duplicates Z: 46 85.492 2.477 1.169 0.818 1.000 0.867 CB 1.800 Z: 44 80.168 2.449 1.001 0.871 1.000 0.698 CB 1.820 45 residues pruned to eliminate duplicates Z: 18 52.241 2.546 0.926 0.833 1.000 0.882 CA 1.939 18 residues pruned to eliminate duplicates Z: 48 74.551 2.425 1.239 0.773 0.957 0.702 CB 1.643 48 residues pruned to eliminate duplicates Z: 91 103.683 2.499 1.079 0.725 0.967 0.667 CB 1.776 136 residues pruned to eliminate duplicates Z: 228 171.497 2.530 1.195 0.696 0.974 0.551 CB 1.760 228 residues pruned to eliminate duplicates Z: 94 108.074 2.499 1.112 0.711 0.968 0.624 CB 1.811 94 residues pruned to eliminate duplicates Z: 85 95.229 2.491 1.089 0.722 0.940 0.595 CB 1.737 85 residues pruned to eliminate duplicates Z: 229 174.604 2.531 1.224 0.716 0.974 0.596 CB 1.734 229 residues pruned to eliminate duplicates Z: 47 84.935 2.456 1.314 0.784 0.978 0.565 CB 1.755 Z: 25 72.167 2.567 1.102 0.950 0.958 0.667 CA 1.964 25 residues pruned to eliminate duplicates Z: 95 101.654 2.479 1.078 0.712 0.947 0.585 CB 1.774 142 residues pruned to eliminate duplicates Z: 108 125.140 2.548 1.216 0.743 0.963 0.645 CB 1.792 108 residues pruned to eliminate duplicates Z: 82 106.170 2.509 1.158 0.740 0.988 0.580 CB 1.779 82 residues pruned to eliminate duplicates Z: 81 105.155 2.513 1.185 0.736 0.988 0.650 CB 1.755 81 residues pruned to eliminate duplicates Z: 50 86.965 2.414 1.351 0.784 1.000 0.735 CB 1.704 Z: 25 82.695 2.594 1.363 0.919 0.958 0.667 CB 2.024 25 residues pruned to eliminate duplicates Z: 93 106.846 2.471 1.210 0.701 0.978 0.554 CB 1.736 143 residues pruned to eliminate duplicates Z: 91 100.491 2.488 1.072 0.702 0.956 0.567 CB 1.788 91 residues pruned to eliminate duplicates Z: 45 81.770 2.480 1.201 0.812 0.977 0.545 CB 1.761 Z: 22 62.868 2.494 1.127 0.859 0.952 0.524 CB 1.997 22 residues pruned to eliminate duplicates 407 residues left after pruning, divided into chains as follows: A: 180 B: 182 C: 45 CC for partial structure against native data = 41.05 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.796, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.924, Connect. = 0.791 for dens.mod. cycle 2 = 0.300, Contrast = 1.123, Connect. = 0.818 for dens.mod. cycle 3 = 0.300, Contrast = 1.170, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 1.210, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 1.231, Connect. = 0.827 for dens.mod. cycle 6 = 0.300, Contrast = 1.249, Connect. = 0.829 for dens.mod. cycle 7 = 0.300, Contrast = 1.259, Connect. = 0.830 for dens.mod. cycle 8 = 0.300, Contrast = 1.267, Connect. = 0.832 for dens.mod. cycle 9 = 0.300, Contrast = 1.271, Connect. = 0.832 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3103 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 609 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 26.001 2.237 0.667 0.877 1.000 0.909 CB 1.527 B: 11 45.283 2.472 1.256 0.871 1.000 0.600 CB 1.872 C: 11 33.807 2.356 1.203 0.850 1.000 0.700 CB 1.525 12 residues pruned to eliminate duplicates D: 16 53.109 2.575 1.036 0.951 0.933 0.533 CB 1.931 E: 18 70.773 2.543 1.484 0.911 1.000 0.706 CB 1.925 F: 23 59.646 2.475 1.112 0.877 1.000 0.864 CB 1.766 G: 31 70.125 2.577 1.127 0.929 0.967 0.733 CB 1.691 H: 25 77.084 2.571 1.377 0.899 0.958 0.708 CB 1.921 15 residues pruned to eliminate duplicates I: 11 26.858 2.480 0.739 0.757 0.900 0.800 CB 1.740 J: 22 55.447 2.501 1.085 0.873 0.952 0.810 CA 1.774 22 residues pruned to eliminate duplicates K: 11 35.918 2.520 0.953 0.746 1.000 0.800 CB 1.851 11 residues pruned to eliminate duplicates L: 22 68.057 2.564 1.262 0.874 1.000 0.714 CA 1.864 23 residues pruned to eliminate duplicates M: 22 60.629 2.541 1.213 0.847 0.952 0.667 CB 1.834 22 residues pruned to eliminate duplicates N: 26 83.066 2.551 1.357 0.943 1.000 0.680 CA 1.915 26 residues pruned to eliminate duplicates O: 25 62.210 2.524 0.927 0.930 0.958 0.625 CA 1.905 25 residues pruned to eliminate duplicates P: 12 28.027 2.228 1.030 0.825 0.909 0.727 CB 1.551 12 residues pruned to eliminate duplicates Q: 14 45.357 2.647 1.011 0.784 0.923 0.615 CB 1.994 R: 24 40.803 2.431 0.666 0.901 0.957 0.913 CB 1.567 24 residues pruned to eliminate duplicates S: 32 59.630 2.449 1.106 0.885 0.935 0.581 CB 1.603 32 residues pruned to eliminate duplicates T: 16 39.956 2.422 0.873 0.844 1.000 0.800 CB 1.692 15 residues pruned to eliminate duplicates U: 25 73.000 2.584 1.129 0.950 0.958 0.625 CA 1.949 25 residues pruned to eliminate duplicates V: 32 65.764 2.474 1.004 0.941 1.000 0.968 CB 1.653 W: 11 39.294 2.510 1.156 0.912 1.000 0.700 CB 1.627 11 residues pruned to eliminate duplicates X: 30 62.784 2.554 0.949 0.950 1.000 0.793 CB 1.615 31 residues pruned to eliminate duplicates Y: 19 59.178 2.425 1.394 0.922 1.000 0.722 CB 1.689 Z: 23 53.191 2.412 0.972 0.865 1.000 0.909 CA 1.747 Z: 11 47.324 2.547 1.208 0.922 1.000 1.000 CB 1.871 11 residues pruned to eliminate duplicates Z: 30 55.667 2.329 1.076 0.831 0.931 0.621 CB 1.725 14 residues pruned to eliminate duplicates Z: 26 86.081 2.535 1.519 0.942 0.960 0.600 CA 1.948 26 residues pruned to eliminate duplicates Z: 12 29.836 2.316 0.928 0.867 0.909 0.636 CB 1.621 12 residues pruned to eliminate duplicates Z: 11 31.453 2.331 0.764 0.874 1.000 0.700 CA 1.760 11 residues pruned to eliminate duplicates Z: 12 22.982 2.199 0.710 0.812 0.909 0.818 CB 1.546 12 residues pruned to eliminate duplicates Z: 28 63.782 2.454 1.052 0.870 0.926 0.704 CA 1.922 30 residues pruned to eliminate duplicates Z: 18 49.042 2.458 0.985 0.897 1.000 0.941 CB 1.744 18 residues pruned to eliminate duplicates Z: 30 55.304 2.507 0.729 0.954 0.966 0.931 CB 1.687 29 residues pruned to eliminate duplicates Z: 19 55.240 2.461 1.092 0.919 1.000 0.833 CB 1.783 19 residues pruned to eliminate duplicates Z: 22 64.534 2.538 1.167 0.867 1.000 0.952 CB 1.872 23 residues pruned to eliminate duplicates Z: 17 59.149 2.460 1.332 0.913 1.000 0.812 CB 1.824 17 residues pruned to eliminate duplicates Z: 22 57.590 2.513 1.140 0.882 1.000 0.905 CB 1.691 22 residues pruned to eliminate duplicates Z: 25 69.880 2.553 1.102 0.956 0.958 0.875 CA 1.905 26 residues pruned to eliminate duplicates Z: 22 51.968 2.475 0.960 0.868 0.952 0.667 CB 1.794 22 residues pruned to eliminate duplicates Z: 18 50.271 2.539 0.960 0.930 1.000 1.000 CB 1.714 18 residues pruned to eliminate duplicates Z: 27 74.153 2.456 1.346 0.906 0.962 0.577 CB 1.867 27 residues pruned to eliminate duplicates Z: 21 29.103 2.446 0.866 0.482 0.850 0.450 CB 1.709 34 residues pruned to eliminate duplicates Z: 17 63.252 2.494 1.492 0.897 1.000 0.438 CB 1.822 17 residues pruned to eliminate duplicates Z: 31 65.190 2.502 1.020 0.932 1.000 0.867 CB 1.644 31 residues pruned to eliminate duplicates Z: 29 71.489 2.440 1.479 0.946 0.929 0.786 CB 1.664 Z: 171 140.845 2.564 1.050 0.687 0.976 0.618 CB 1.773 127 residues pruned to eliminate duplicates Z: 19 60.179 2.495 1.171 0.907 1.000 0.889 CB 1.862 19 residues pruned to eliminate duplicates Z: 17 52.724 2.470 1.169 0.908 1.000 0.875 CA 1.747 17 residues pruned to eliminate duplicates Z: 18 33.772 2.355 0.790 0.837 1.000 0.647 CB 1.454 Z: 31 75.922 2.570 1.237 0.925 0.967 0.833 CB 1.751 31 residues pruned to eliminate duplicates Z: 31 52.378 2.498 0.621 0.914 0.967 0.933 CB 1.728 31 residues pruned to eliminate duplicates Z: 30 66.486 2.538 0.968 0.947 1.000 0.966 CB 1.708 31 residues pruned to eliminate duplicates Z: 16 66.225 2.677 1.457 0.940 1.000 0.800 CB 1.805 16 residues pruned to eliminate duplicates Z: 28 67.044 2.464 1.134 0.916 1.000 0.852 CB 1.732 28 residues pruned to eliminate duplicates Z: 27 58.981 2.566 0.828 0.826 0.962 0.615 CB 1.934 27 residues pruned to eliminate duplicates Z: 16 32.197 2.490 0.595 0.916 0.867 0.667 CB 1.705 16 residues pruned to eliminate duplicates Z: 22 59.414 2.512 1.223 0.842 1.000 0.524 CB 1.730 22 residues pruned to eliminate duplicates Z: 11 36.387 2.631 1.036 0.851 0.900 0.800 CA 1.767 11 residues pruned to eliminate duplicates Z: 31 57.587 2.502 0.710 0.941 0.967 0.933 CB 1.763 31 residues pruned to eliminate duplicates Z: 28 55.068 2.504 0.869 0.815 0.926 0.704 CA 1.861 Z: 32 68.870 2.477 1.461 0.910 0.935 0.419 CB 1.538 31 residues pruned to eliminate duplicates Z: 26 82.209 2.529 1.431 0.916 1.000 0.480 CB 1.889 26 residues pruned to eliminate duplicates Z: 21 52.179 2.433 1.075 0.915 0.950 0.650 CB 1.719 Z: 33 48.105 2.380 0.760 0.890 0.938 0.844 CB 1.557 33 residues pruned to eliminate duplicates Z: 21 60.032 2.615 1.150 0.878 0.950 0.700 CA 1.825 21 residues pruned to eliminate duplicates Z: 21 62.202 2.558 1.107 0.894 1.000 0.800 CB 1.851 21 residues pruned to eliminate duplicates Z: 22 53.854 2.520 1.049 0.864 0.952 0.762 CB 1.753 22 residues pruned to eliminate duplicates Z: 20 55.880 2.530 0.917 0.936 1.000 0.842 CB 1.841 20 residues pruned to eliminate duplicates Z: 22 61.618 2.522 1.194 0.880 0.952 0.762 CB 1.848 22 residues pruned to eliminate duplicates Z: 31 57.146 2.533 0.803 0.900 0.967 0.933 CB 1.689 31 residues pruned to eliminate duplicates Z: 21 67.301 2.660 1.454 0.951 1.000 0.600 CB 1.589 21 residues pruned to eliminate duplicates Z: 18 64.261 2.482 1.520 0.894 1.000 0.706 CB 1.787 18 residues pruned to eliminate duplicates Z: 18 46.951 2.514 0.751 0.936 1.000 0.882 CB 1.802 18 residues pruned to eliminate duplicates Z: 26 63.857 2.475 1.168 0.943 0.960 0.720 CB 1.718 26 residues pruned to eliminate duplicates Z: 31 70.559 2.550 1.245 0.941 0.933 0.633 CB 1.673 30 residues pruned to eliminate duplicates Z: 15 45.432 2.565 0.817 0.925 0.929 0.714 CA 1.969 15 residues pruned to eliminate duplicates Z: 17 51.772 2.480 0.961 0.910 1.000 0.938 CB 1.888 17 residues pruned to eliminate duplicates Z: 18 52.060 2.514 1.222 0.918 1.000 0.941 CB 1.594 18 residues pruned to eliminate duplicates Z: 31 56.524 2.534 0.748 0.928 0.933 0.867 CB 1.748 31 residues pruned to eliminate duplicates Z: 33 58.163 2.419 0.961 0.860 0.969 0.750 CB 1.645 33 residues pruned to eliminate duplicates Z: 31 80.393 2.586 1.430 0.934 0.967 0.633 CB 1.685 32 residues pruned to eliminate duplicates Z: 15 44.341 2.298 1.364 0.852 0.929 0.786 CB 1.738 15 residues pruned to eliminate duplicates Z: 19 51.903 2.408 1.226 0.914 1.000 0.667 CB 1.614 19 residues pruned to eliminate duplicates Z: 18 57.934 2.460 1.106 0.944 1.000 0.941 CB 1.878 18 residues pruned to eliminate duplicates Z: 31 69.342 2.513 1.333 0.910 0.967 0.600 CB 1.584 31 residues pruned to eliminate duplicates Z: 26 56.157 2.429 1.118 0.915 0.960 0.760 CB 1.607 26 residues pruned to eliminate duplicates Z: 25 73.674 2.456 1.297 0.946 1.000 0.542 CB 1.843 18 residues pruned to eliminate duplicates Z: 26 82.124 2.626 1.449 0.949 1.000 0.520 CB 1.763 27 residues pruned to eliminate duplicates Z: 10 33.490 2.472 1.246 0.854 0.889 0.556 CB 1.671 10 residues pruned to eliminate duplicates Z: 17 39.212 2.435 0.751 0.922 1.000 1.000 CB 1.617 17 residues pruned to eliminate duplicates Z: 18 46.920 2.495 0.973 0.944 1.000 1.000 CB 1.602 18 residues pruned to eliminate duplicates Z: 10 37.497 2.654 0.898 0.809 1.000 0.889 CB 1.897 10 residues pruned to eliminate duplicates Z: 19 61.271 2.480 1.218 0.917 1.000 0.889 CB 1.853 19 residues pruned to eliminate duplicates Z: 31 58.074 2.441 0.954 0.934 0.967 0.733 CB 1.603 31 residues pruned to eliminate duplicates Z: 26 65.266 2.537 1.343 0.930 0.960 0.680 CB 1.600 26 residues pruned to eliminate duplicates Z: 13 34.827 2.595 0.613 0.908 0.917 0.833 CB 1.861 13 residues pruned to eliminate duplicates Z: 27 71.540 2.539 1.139 0.931 1.000 0.654 CB 1.805 26 residues pruned to eliminate duplicates Z: 20 58.076 2.362 1.297 0.904 1.000 0.526 CB 1.749 20 residues pruned to eliminate duplicates Z: 32 54.317 2.431 0.626 0.932 1.000 0.903 CB 1.724 32 residues pruned to eliminate duplicates Z: 31 72.029 2.556 1.163 0.949 0.967 0.700 CB 1.698 32 residues pruned to eliminate duplicates Z: 27 54.962 2.540 0.760 0.913 1.000 0.692 CB 1.706 27 residues pruned to eliminate duplicates Z: 33 68.313 2.431 1.385 0.940 0.938 0.562 CB 1.543 32 residues pruned to eliminate duplicates Z: 28 56.851 2.460 1.090 0.830 0.889 0.519 CB 1.800 28 residues pruned to eliminate duplicates Z: 26 70.271 2.557 1.153 0.910 0.920 0.760 CB 1.968 26 residues pruned to eliminate duplicates Z: 26 67.945 2.541 0.986 0.946 1.000 0.840 CA 1.863 26 residues pruned to eliminate duplicates Z: 31 80.099 2.523 1.509 0.949 0.967 0.400 CB 1.649 32 residues pruned to eliminate duplicates Z: 28 46.590 2.435 0.893 0.849 0.815 0.519 CB 1.770 28 residues pruned to eliminate duplicates Z: 29 53.771 2.412 0.817 0.930 1.000 0.857 CB 1.622 29 residues pruned to eliminate duplicates Z: 28 64.076 2.373 1.246 0.943 0.963 0.407 CB 1.665 28 residues pruned to eliminate duplicates Z: 28 59.012 2.440 0.975 0.816 0.963 0.519 CA 1.860 28 residues pruned to eliminate duplicates Z: 27 63.849 2.523 1.072 0.930 0.962 0.885 CB 1.743 27 residues pruned to eliminate duplicates Z: 12 31.103 2.408 0.947 0.782 1.000 0.818 CA 1.561 Z: 28 67.902 2.531 1.257 0.943 0.963 0.704 CB 1.647 28 residues pruned to eliminate duplicates Z: 25 62.162 2.362 1.297 0.945 0.958 0.583 CB 1.689 Z: 28 60.156 2.468 1.041 0.825 0.963 0.704 CA 1.802 28 residues pruned to eliminate duplicates Z: 14 50.632 2.460 1.118 0.933 1.000 0.846 CB 1.881 14 residues pruned to eliminate duplicates Z: 18 65.603 2.521 1.514 0.889 1.000 0.647 CB 1.808 18 residues pruned to eliminate duplicates Z: 19 30.782 2.252 0.732 0.810 0.944 0.722 CB 1.503 19 residues pruned to eliminate duplicates Z: 31 74.046 2.572 1.275 0.912 0.967 0.733 CB 1.693 31 residues pruned to eliminate duplicates Z: 28 58.718 2.511 0.948 0.912 1.000 0.815 CB 1.636 28 residues pruned to eliminate duplicates Z: 29 52.846 2.516 0.647 0.930 0.964 0.893 CB 1.747 29 residues pruned to eliminate duplicates Z: 26 74.823 2.499 1.255 0.926 1.000 0.840 CA 1.862 25 residues pruned to eliminate duplicates Z: 22 55.132 2.503 0.942 0.881 1.000 0.762 CA 1.793 22 residues pruned to eliminate duplicates Z: 17 44.227 2.499 0.816 0.947 1.000 0.938 CB 1.684 17 residues pruned to eliminate duplicates Z: 18 44.672 2.342 1.258 0.869 1.000 0.471 CB 1.496 18 residues pruned to eliminate duplicates Z: 47 58.604 2.497 1.029 0.546 0.957 0.500 CB 1.705 47 residues pruned to eliminate duplicates Z: 28 57.161 2.475 0.764 0.845 1.000 0.667 CB 1.872 28 residues pruned to eliminate duplicates Z: 27 61.144 2.549 0.916 0.869 0.962 0.885 CB 1.866 27 residues pruned to eliminate duplicates Z: 19 69.580 2.511 1.460 0.924 1.000 0.778 CB 1.864 19 residues pruned to eliminate duplicates Z: 29 49.549 2.398 0.929 0.761 0.929 0.714 CA 1.730 29 residues pruned to eliminate duplicates Z: 25 53.756 2.356 1.066 0.893 0.958 0.792 CB 1.689 25 residues pruned to eliminate duplicates Z: 26 60.797 2.579 1.053 0.873 0.920 0.760 CB 1.819 28 residues pruned to eliminate duplicates Z: 29 50.276 2.420 0.818 0.735 0.929 0.607 CA 1.882 29 residues pruned to eliminate duplicates Z: 29 52.220 2.356 0.904 0.830 0.929 0.571 CB 1.781 29 residues pruned to eliminate duplicates Z: 21 52.751 2.581 0.959 0.871 0.950 0.800 CA 1.791 21 residues pruned to eliminate duplicates Z: 26 57.902 2.330 1.328 0.860 0.960 0.560 CB 1.635 24 residues pruned to eliminate duplicates Z: 21 58.830 2.505 1.344 0.840 0.950 0.600 CB 1.760 21 residues pruned to eliminate duplicates Z: 27 60.438 2.426 0.986 0.862 0.962 0.808 CB 1.879 27 residues pruned to eliminate duplicates Z: 32 76.095 2.506 1.315 0.947 0.968 0.774 CB 1.683 31 residues pruned to eliminate duplicates Z: 31 52.246 2.472 0.671 0.935 0.967 0.833 CB 1.664 31 residues pruned to eliminate duplicates Z: 27 47.977 2.237 0.950 0.889 0.962 0.731 CB 1.615 27 residues pruned to eliminate duplicates Z: 17 36.242 2.403 1.104 0.848 0.750 0.688 CB 1.773 17 residues pruned to eliminate duplicates Z: 31 76.345 2.524 1.470 0.932 0.967 0.433 CB 1.614 31 residues pruned to eliminate duplicates Z: 16 29.978 2.327 0.794 0.803 0.867 0.600 CB 1.642 14 residues pruned to eliminate duplicates Z: 28 61.103 2.452 1.167 0.841 0.926 0.852 CB 1.783 28 residues pruned to eliminate duplicates Z: 27 53.785 2.417 1.055 0.916 0.846 0.615 CB 1.772 27 residues pruned to eliminate duplicates Z: 12 31.876 2.344 0.793 0.828 1.000 0.727 CB 1.722 11 residues pruned to eliminate duplicates Z: 83 83.130 2.470 1.000 0.626 0.963 0.622 CB 1.714 56 residues pruned to eliminate duplicates Z: 47 52.201 2.428 0.905 0.554 0.913 0.457 CB 1.728 47 residues pruned to eliminate duplicates Z: 28 56.793 2.464 0.878 0.825 0.963 0.630 CA 1.852 28 residues pruned to eliminate duplicates Z: 18 47.743 2.442 1.223 0.900 0.941 0.353 CB 1.620 18 residues pruned to eliminate duplicates Z: 31 80.542 2.539 1.484 0.951 0.967 0.367 CB 1.662 31 residues pruned to eliminate duplicates Z: 27 48.058 2.452 1.007 0.824 0.885 0.462 CB 1.635 27 residues pruned to eliminate duplicates Z: 180 157.550 2.560 1.163 0.709 0.983 0.631 CB 1.789 179 residues pruned to eliminate duplicates Z: 26 46.328 2.336 0.990 0.896 0.840 0.560 CB 1.700 26 residues pruned to eliminate duplicates Z: 22 59.785 2.519 1.155 0.853 1.000 0.762 CB 1.776 22 residues pruned to eliminate duplicates Z: 15 40.360 2.397 0.915 0.912 0.929 0.643 CA 1.793 15 residues pruned to eliminate duplicates Z: 21 55.423 2.505 1.113 0.856 1.000 0.800 CA 1.726 21 residues pruned to eliminate duplicates Z: 23 41.295 2.341 0.868 0.874 0.864 0.727 CB 1.697 23 residues pruned to eliminate duplicates Z: 21 60.549 2.586 1.059 0.874 1.000 0.850 CA 1.850 21 residues pruned to eliminate duplicates Z: 21 53.472 2.532 0.957 0.896 0.950 0.650 CB 1.819 21 residues pruned to eliminate duplicates Z: 21 53.580 2.541 0.961 0.825 1.000 0.600 CB 1.815 21 residues pruned to eliminate duplicates Z: 25 82.149 2.510 1.540 0.922 0.958 0.458 CA 1.931 25 residues pruned to eliminate duplicates Z: 31 76.205 2.549 1.411 0.928 0.933 0.533 CB 1.699 31 residues pruned to eliminate duplicates Z: 22 57.292 2.487 1.206 0.849 1.000 0.667 CB 1.689 22 residues pruned to eliminate duplicates Z: 25 63.661 2.415 1.311 0.946 0.917 0.708 CB 1.756 25 residues pruned to eliminate duplicates Z: 22 58.995 2.528 1.150 0.871 1.000 0.810 CB 1.728 22 residues pruned to eliminate duplicates Z: 29 60.257 2.322 1.089 0.938 1.000 0.679 CB 1.633 29 residues pruned to eliminate duplicates Z: 31 77.196 2.527 1.450 0.922 1.000 0.533 CB 1.601 30 residues pruned to eliminate duplicates Z: 144 123.895 2.552 0.986 0.694 0.965 0.706 CB 1.774 90 residues pruned to eliminate duplicates Z: 22 59.159 2.538 1.067 0.890 1.000 0.762 CB 1.771 22 residues pruned to eliminate duplicates Z: 24 84.323 2.621 1.370 0.943 1.000 0.609 CB 1.962 24 residues pruned to eliminate duplicates Z: 31 72.192 2.497 1.369 0.926 1.000 0.433 CB 1.562 31 residues pruned to eliminate duplicates Z: 23 47.554 2.421 0.892 0.807 0.955 0.682 CB 1.774 23 residues pruned to eliminate duplicates Z: 11 26.236 2.464 0.690 0.806 0.900 0.600 CA 1.695 11 residues pruned to eliminate duplicates Z: 28 53.018 2.473 0.890 0.821 0.926 0.704 CB 1.784 28 residues pruned to eliminate duplicates Z: 29 55.229 2.417 1.167 0.898 0.964 0.750 CB 1.478 29 residues pruned to eliminate duplicates Z: 28 66.040 2.493 1.134 0.867 0.926 0.556 CB 1.887 28 residues pruned to eliminate duplicates Z: 14 36.716 2.304 0.831 0.851 1.000 0.769 CA 1.787 14 residues pruned to eliminate duplicates Z: 16 47.059 2.448 0.930 0.891 1.000 0.867 CA 1.848 16 residues pruned to eliminate duplicates Z: 11 35.298 2.474 0.932 0.842 1.000 0.800 CA 1.740 11 residues pruned to eliminate duplicates Z: 8 7.859 1.754 0.320 0.730 1.000 0.714 CB 1.043 8 residues pruned to eliminate duplicates Z: 27 68.402 2.451 1.056 0.914 1.000 0.577 CA 1.882 27 residues pruned to eliminate duplicates Z: 21 59.506 2.595 1.130 0.878 0.950 0.950 CB 1.839 21 residues pruned to eliminate duplicates Z: 28 57.878 2.431 0.986 0.848 0.926 0.667 CB 1.848 28 residues pruned to eliminate duplicates Z: 18 62.463 2.519 1.369 0.906 1.000 0.412 CB 1.805 18 residues pruned to eliminate duplicates Z: 21 52.702 2.520 1.156 0.860 0.900 0.650 CB 1.772 21 residues pruned to eliminate duplicates Z: 21 28.731 2.076 0.697 0.872 1.000 0.850 CB 1.329 20 residues pruned to eliminate duplicates Z: 26 56.646 2.546 0.876 0.952 0.960 0.720 CB 1.703 26 residues pruned to eliminate duplicates Z: 6 7.693 1.989 0.273 0.851 1.000 0.600 CB 1.005 6 residues pruned to eliminate duplicates Z: 10 16.878 2.086 0.428 0.834 0.889 0.556 CA 1.594 10 residues pruned to eliminate duplicates Z: 27 60.366 2.455 1.009 0.881 0.923 0.615 CB 1.884 27 residues pruned to eliminate duplicates Z: 29 52.676 2.322 0.961 0.898 0.929 0.679 CB 1.683 29 residues pruned to eliminate duplicates Z: 19 64.846 2.439 1.345 0.891 1.000 0.722 CB 1.921 19 residues pruned to eliminate duplicates Z: 11 36.426 2.459 1.043 0.884 1.000 0.700 CB 1.658 11 residues pruned to eliminate duplicates Z: 8 9.981 1.941 0.635 0.550 0.857 0.571 CA 1.320 8 residues pruned to eliminate duplicates Z: 29 49.361 2.370 0.920 0.831 0.857 0.571 CB 1.797 29 residues pruned to eliminate duplicates Z: 25 57.971 2.555 0.752 0.912 0.958 0.833 CA 1.953 25 residues pruned to eliminate duplicates Z: 25 62.093 2.560 0.845 0.948 0.958 0.833 CA 1.934 25 residues pruned to eliminate duplicates Z: 32 63.935 2.512 1.044 0.887 0.968 0.742 CB 1.666 32 residues pruned to eliminate duplicates Z: 25 58.758 2.372 1.371 0.908 0.917 0.625 CB 1.653 25 residues pruned to eliminate duplicates Z: 31 72.462 2.566 1.253 0.937 0.967 0.700 CB 1.648 31 residues pruned to eliminate duplicates Z: 32 70.527 2.492 1.375 0.920 0.935 0.548 CB 1.612 32 residues pruned to eliminate duplicates Z: 7 7.251 1.879 0.059 0.748 0.833 0.667 CA 1.430 7 residues pruned to eliminate duplicates Z: 6 8.831 2.210 0.262 0.586 0.800 0.800 CB 1.630 6 residues pruned to eliminate duplicates Z: 27 61.024 2.527 0.891 0.885 1.000 0.808 CB 1.809 27 residues pruned to eliminate duplicates Z: 26 58.963 2.297 1.260 0.907 0.960 0.480 CB 1.682 26 residues pruned to eliminate duplicates Z: 28 61.261 2.469 1.035 0.864 0.926 0.667 CB 1.858 28 residues pruned to eliminate duplicates Z: 16 46.422 2.561 0.874 0.931 0.933 0.733 CA 1.870 16 residues pruned to eliminate duplicates Z: 18 42.180 2.348 1.196 0.861 1.000 0.412 CB 1.458 18 residues pruned to eliminate duplicates Z: 28 60.910 2.447 1.021 0.877 0.963 0.778 CA 1.787 28 residues pruned to eliminate duplicates Z: 11 26.109 2.254 0.872 0.886 0.900 0.800 CA 1.568 11 residues pruned to eliminate duplicates Z: 25 86.393 2.573 1.566 0.935 0.958 0.583 CB 1.943 25 residues pruned to eliminate duplicates Z: 22 51.254 2.419 1.182 0.844 1.000 0.667 CB 1.576 22 residues pruned to eliminate duplicates Z: 25 84.974 2.544 1.518 0.946 0.958 0.542 CB 1.955 25 residues pruned to eliminate duplicates Z: 23 65.914 2.487 1.418 0.940 1.000 0.500 CB 1.623 23 residues pruned to eliminate duplicates Z: 28 73.013 2.512 1.244 0.933 1.000 0.593 CB 1.740 28 residues pruned to eliminate duplicates Z: 20 36.609 2.199 1.046 0.826 0.947 0.368 CB 1.487 19 residues pruned to eliminate duplicates Z: 18 55.996 2.400 1.391 0.949 0.941 0.706 CB 1.735 20 residues pruned to eliminate duplicates Z: 25 55.001 2.350 0.943 0.927 1.000 0.917 CA 1.723 25 residues pruned to eliminate duplicates Z: 26 62.605 2.529 1.065 0.882 0.920 0.880 CA 1.886 26 residues pruned to eliminate duplicates Z: 27 73.493 2.471 1.226 0.926 0.962 0.731 CB 1.911 27 residues pruned to eliminate duplicates Z: 22 62.403 2.548 1.110 0.878 1.000 0.810 CA 1.838 22 residues pruned to eliminate duplicates Z: 27 77.966 2.573 1.467 0.948 1.000 0.731 CB 1.664 27 residues pruned to eliminate duplicates Z: 181 139.954 2.512 1.069 0.680 0.961 0.678 CB 1.769 181 residues pruned to eliminate duplicates Z: 11 32.043 2.346 1.048 0.739 1.000 0.600 CA 1.703 11 residues pruned to eliminate duplicates Z: 28 50.682 2.396 0.697 0.909 0.963 0.741 CB 1.769 28 residues pruned to eliminate duplicates Z: 22 53.002 2.440 0.981 0.859 1.000 0.667 CB 1.760 22 residues pruned to eliminate duplicates Z: 88 87.167 2.445 0.985 0.722 0.943 0.690 CB 1.672 113 residues pruned to eliminate duplicates Z: 18 59.243 2.449 1.348 0.910 1.000 0.353 CB 1.772 18 residues pruned to eliminate duplicates Z: 77 83.724 2.574 0.917 0.655 0.974 0.671 CB 1.730 77 residues pruned to eliminate duplicates Z: 182 147.119 2.569 1.085 0.680 0.961 0.597 CB 1.801 164 residues pruned to eliminate duplicates Z: 28 51.578 2.424 0.875 0.880 0.926 0.667 CB 1.709 28 residues pruned to eliminate duplicates Z: 180 152.569 2.532 1.156 0.708 0.972 0.637 CB 1.780 181 residues pruned to eliminate duplicates Z: 25 72.420 2.573 1.114 0.928 0.958 0.625 CB 1.985 25 residues pruned to eliminate duplicates Z: 33 53.762 2.401 1.332 0.877 0.844 0.562 CB 1.461 19 residues pruned to eliminate duplicates Z: 22 54.332 2.624 1.064 0.933 0.952 0.762 CB 1.604 22 residues pruned to eliminate duplicates Z: 19 35.972 2.360 1.096 0.819 0.944 0.722 CB 1.376 19 residues pruned to eliminate duplicates Z: 25 60.103 2.377 1.063 0.928 1.000 0.833 CB 1.752 Z: 24 64.928 2.379 1.412 0.956 1.000 0.478 CB 1.620 25 residues pruned to eliminate duplicates Z: 27 77.753 2.563 1.358 0.930 1.000 0.577 CB 1.764 27 residues pruned to eliminate duplicates Z: 21 40.502 2.409 0.740 0.867 0.900 0.750 CA 1.757 21 residues pruned to eliminate duplicates Z: 24 65.361 2.433 1.444 0.928 0.957 0.478 CB 1.678 23 residues pruned to eliminate duplicates Z: 26 60.281 2.296 1.532 0.893 0.880 0.560 CB 1.692 26 residues pruned to eliminate duplicates Z: 27 63.770 2.554 1.114 0.866 0.923 0.692 CB 1.838 27 residues pruned to eliminate duplicates Z: 24 47.236 2.377 0.708 0.934 1.000 0.957 CA 1.691 24 residues pruned to eliminate duplicates Z: 17 46.053 2.425 1.076 0.922 0.938 0.688 CB 1.715 17 residues pruned to eliminate duplicates Z: 61 77.279 2.456 1.089 0.712 0.933 0.667 CB 1.719 61 residues pruned to eliminate duplicates Z: 8 9.069 1.883 0.423 0.589 0.857 0.714 CA 1.370 8 residues pruned to eliminate duplicates Z: 23 41.374 2.438 0.517 0.936 1.000 0.909 CB 1.661 23 residues pruned to eliminate duplicates Z: 27 51.060 2.502 0.876 0.838 0.846 0.615 CB 1.885 27 residues pruned to eliminate duplicates Z: 16 23.512 2.290 0.265 0.862 0.867 0.533 CB 1.775 16 residues pruned to eliminate duplicates Z: 28 56.957 2.372 0.919 0.931 0.963 0.815 CB 1.747 28 residues pruned to eliminate duplicates Z: 26 58.741 2.543 1.064 0.841 0.920 0.600 CB 1.813 26 residues pruned to eliminate duplicates Z: 26 57.869 2.514 1.241 0.821 0.840 0.680 CB 1.852 26 residues pruned to eliminate duplicates Z: 25 87.682 2.618 1.457 0.933 0.958 0.625 CB 2.026 25 residues pruned to eliminate duplicates Z: 130 128.011 2.589 1.056 0.735 0.961 0.760 CB 1.783 130 residues pruned to eliminate duplicates Z: 12 25.173 2.311 1.228 0.817 0.909 0.636 CB 1.231 12 residues pruned to eliminate duplicates Z: 25 63.175 2.417 1.182 0.944 0.958 0.917 CA 1.767 25 residues pruned to eliminate duplicates Z: 27 52.672 2.473 0.775 0.930 1.000 0.885 CB 1.645 27 residues pruned to eliminate duplicates Z: 19 34.972 2.244 0.739 0.913 0.944 0.889 CB 1.583 19 residues pruned to eliminate duplicates Z: 29 56.507 2.364 0.954 0.849 0.964 0.679 CA 1.776 29 residues pruned to eliminate duplicates Z: 181 147.112 2.540 1.160 0.699 0.956 0.550 CB 1.745 157 residues pruned to eliminate duplicates Z: 17 31.783 2.229 1.066 0.863 1.000 0.562 CB 1.266 Z: 26 67.121 2.517 1.476 0.948 0.920 0.280 CB 1.616 26 residues pruned to eliminate duplicates Z: 32 59.445 2.435 0.889 0.914 1.000 0.968 CB 1.642 32 residues pruned to eliminate duplicates Z: 28 69.033 2.528 1.066 0.939 1.000 0.852 CB 1.767 28 residues pruned to eliminate duplicates Z: 26 58.428 2.299 1.187 0.932 0.960 0.760 CB 1.690 26 residues pruned to eliminate duplicates Z: 19 26.817 2.047 0.800 0.889 1.000 0.611 CB 1.235 17 residues pruned to eliminate duplicates Z: 20 29.899 2.038 0.964 0.881 1.000 0.684 CB 1.241 19 residues pruned to eliminate duplicates Z: 185 141.965 2.527 1.029 0.714 0.957 0.658 CB 1.758 142 residues pruned to eliminate duplicates Z: 25 70.752 2.425 1.465 0.945 0.958 0.583 CB 1.745 25 residues pruned to eliminate duplicates Z: 130 131.694 2.566 1.244 0.717 0.961 0.566 CB 1.722 130 residues pruned to eliminate duplicates Z: 26 50.221 2.314 0.869 0.908 0.960 0.680 CB 1.719 26 residues pruned to eliminate duplicates Z: 27 57.629 2.531 0.851 0.923 1.000 0.808 CB 1.695 27 residues pruned to eliminate duplicates Z: 22 55.598 2.496 1.228 0.888 0.952 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 24 55.787 2.421 0.838 0.943 1.000 0.957 CA 1.811 24 residues pruned to eliminate duplicates Z: 28 56.341 2.409 0.824 0.928 0.963 0.741 CB 1.795 28 residues pruned to eliminate duplicates Z: 7 5.655 2.119 0.304 0.379 0.667 0.333 CB 1.427 7 residues pruned to eliminate duplicates Z: 20 28.096 2.014 0.912 0.854 1.000 0.579 CB 1.236 20 residues pruned to eliminate duplicates Z: 24 59.949 2.596 0.912 0.909 0.913 0.739 CB 1.958 24 residues pruned to eliminate duplicates Z: 16 41.042 2.430 0.708 0.942 1.000 1.000 CA 1.770 16 residues pruned to eliminate duplicates Z: 29 62.323 2.552 0.963 0.941 0.929 0.893 CB 1.757 29 residues pruned to eliminate duplicates Z: 28 60.096 2.460 1.124 0.824 0.926 0.630 CA 1.806 28 residues pruned to eliminate duplicates Z: 21 52.284 2.559 0.887 0.857 0.950 0.700 CB 1.878 21 residues pruned to eliminate duplicates Z: 30 69.578 2.584 0.962 0.938 1.000 0.897 CB 1.773 30 residues pruned to eliminate duplicates Z: 29 50.812 2.367 1.106 0.782 0.893 0.464 CB 1.683 29 residues pruned to eliminate duplicates Z: 24 58.024 2.428 1.027 0.918 1.000 0.913 CB 1.734 24 residues pruned to eliminate duplicates Z: 22 53.720 2.508 0.894 0.876 1.000 0.952 CA 1.793 22 residues pruned to eliminate duplicates Z: 28 55.574 2.369 0.805 0.944 1.000 0.815 CB 1.733 28 residues pruned to eliminate duplicates Z: 20 27.209 2.139 0.805 0.818 0.895 0.737 CB 1.371 20 residues pruned to eliminate duplicates Z: 28 64.890 2.412 1.115 0.924 0.963 0.667 CB 1.786 28 residues pruned to eliminate duplicates Z: 9 12.046 1.973 0.568 0.666 0.750 0.500 CB 1.574 9 residues pruned to eliminate duplicates Z: 28 53.086 2.459 0.812 0.933 0.963 0.852 CB 1.661 28 residues pruned to eliminate duplicates Z: 27 61.676 2.463 1.164 0.908 0.885 0.577 CB 1.822 27 residues pruned to eliminate duplicates Z: 19 38.158 2.202 1.076 0.884 1.000 0.444 CB 1.421 19 residues pruned to eliminate duplicates Z: 31 75.687 2.531 1.166 0.943 1.000 0.733 CB 1.748 31 residues pruned to eliminate duplicates Z: 27 44.507 2.381 1.056 0.899 0.769 0.500 CB 1.657 27 residues pruned to eliminate duplicates Z: 18 55.901 2.623 1.091 0.937 0.941 0.941 CB 1.828 18 residues pruned to eliminate duplicates Z: 18 31.338 2.191 0.893 0.874 1.000 0.765 CB 1.334 18 residues pruned to eliminate duplicates Z: 31 67.452 2.537 1.083 0.919 0.967 0.733 CB 1.700 32 residues pruned to eliminate duplicates Z: 30 76.238 2.547 1.569 0.947 0.931 0.483 CB 1.606 30 residues pruned to eliminate duplicates Z: 7 10.449 1.966 0.719 0.820 1.000 0.667 CB 0.956 7 residues pruned to eliminate duplicates Z: 26 48.773 2.245 0.840 0.936 1.000 0.960 CA 1.645 26 residues pruned to eliminate duplicates Z: 179 127.291 2.528 1.036 0.631 0.933 0.584 CB 1.758 66 residues pruned to eliminate duplicates Z: 27 43.922 2.467 0.865 0.873 0.769 0.500 CB 1.773 27 residues pruned to eliminate duplicates Z: 11 25.306 2.409 0.650 0.824 0.900 0.700 CA 1.690 11 residues pruned to eliminate duplicates Z: 26 64.540 2.464 1.402 0.885 0.920 0.480 CB 1.712 26 residues pruned to eliminate duplicates Z: 24 24.082 2.251 0.725 0.495 0.826 0.391 CB 1.573 24 residues pruned to eliminate duplicates Z: 26 55.046 2.481 0.841 0.931 0.960 0.880 CA 1.755 26 residues pruned to eliminate duplicates Z: 22 48.715 2.352 1.089 0.894 0.952 0.619 CB 1.630 22 residues pruned to eliminate duplicates Z: 183 147.624 2.521 1.131 0.704 0.967 0.555 CB 1.750 183 residues pruned to eliminate duplicates Z: 17 29.880 2.256 0.837 0.875 1.000 0.812 CB 1.311 19 residues pruned to eliminate duplicates Z: 25 72.840 2.372 1.534 0.952 1.000 0.542 CB 1.704 25 residues pruned to eliminate duplicates Z: 6 11.563 2.051 0.506 0.770 1.000 1.000 CA 1.319 6 residues pruned to eliminate duplicates Z: 22 43.258 2.247 1.129 0.812 0.905 0.714 CA 1.662 22 residues pruned to eliminate duplicates Z: 28 68.628 2.437 1.239 0.931 0.963 0.593 CB 1.756 28 residues pruned to eliminate duplicates Z: 27 63.702 2.519 1.245 0.825 0.923 0.615 CB 1.806 27 residues pruned to eliminate duplicates Z: 19 31.862 2.127 0.839 0.888 1.000 0.833 CB 1.384 18 residues pruned to eliminate duplicates Z: 10 37.442 2.500 0.942 0.900 1.000 0.889 CB 1.836 10 residues pruned to eliminate duplicates Z: 8 6.695 1.766 0.419 0.748 0.857 0.714 CB 0.945 8 residues pruned to eliminate duplicates Z: 100 96.924 2.565 0.964 0.644 0.939 0.677 CB 1.799 100 residues pruned to eliminate duplicates Z: 16 58.832 2.566 1.414 0.937 1.000 0.533 CB 1.706 16 residues pruned to eliminate duplicates Z: 18 41.213 2.359 1.171 0.863 1.000 0.471 CB 1.432 18 residues pruned to eliminate duplicates Z: 25 51.387 2.469 1.446 0.948 0.917 0.125 CB 1.308 25 residues pruned to eliminate duplicates Z: 145 120.247 2.512 1.017 0.695 0.958 0.750 CB 1.727 145 residues pruned to eliminate duplicates Z: 50 73.155 2.386 0.924 0.946 0.980 0.837 CB 1.608 50 residues pruned to eliminate duplicates Z: 27 60.428 2.484 1.102 0.820 0.962 0.692 CB 1.787 27 residues pruned to eliminate duplicates Z: 6 9.779 1.679 0.992 0.565 1.000 0.600 CA 1.229 6 residues pruned to eliminate duplicates Z: 27 68.317 2.465 1.050 0.917 1.000 0.654 CB 1.872 27 residues pruned to eliminate duplicates Z: 28 64.243 2.501 1.215 0.906 1.000 0.593 CB 1.588 28 residues pruned to eliminate duplicates Z: 189 146.805 2.511 1.162 0.678 0.957 0.574 CB 1.749 189 residues pruned to eliminate duplicates Z: 28 62.048 2.371 1.183 0.918 0.963 0.481 CB 1.690 28 residues pruned to eliminate duplicates Z: 6 4.299 1.980 0.157 0.294 0.800 0.600 CA 1.321 Z: 26 56.967 2.304 1.220 0.919 0.920 0.560 CB 1.706 26 residues pruned to eliminate duplicates 6 1.791 1.952 0.120 0.281 0.600 0.200 CB 0.782 ? Z: 182 151.781 2.536 1.164 0.706 0.967 0.602 CB 1.763 182 residues pruned to eliminate duplicates Z: 17 33.565 2.436 0.900 0.593 0.938 0.562 CB 1.770 17 residues pruned to eliminate duplicates Z: 174 137.385 2.542 1.089 0.666 0.954 0.572 CB 1.769 120 residues pruned to eliminate duplicates Z: 20 35.971 2.248 1.032 0.795 0.947 0.632 CB 1.473 20 residues pruned to eliminate duplicates Z: 20 35.614 2.224 0.969 0.767 0.947 0.421 CB 1.555 20 residues pruned to eliminate duplicates Z: 29 47.308 2.368 0.966 0.590 1.000 0.571 CB 1.762 29 residues pruned to eliminate duplicates Z: 18 27.736 2.167 0.971 0.886 0.882 0.706 CB 1.288 18 residues pruned to eliminate duplicates Z: 28 51.751 2.352 0.857 0.916 0.963 0.556 CB 1.673 28 residues pruned to eliminate duplicates Z: 19 39.127 2.260 0.934 0.859 1.000 0.833 CB 1.553 20 residues pruned to eliminate duplicates Z: 179 141.527 2.544 1.000 0.693 0.978 0.680 CB 1.787 164 residues pruned to eliminate duplicates Z: 183 138.378 2.549 1.119 0.670 0.940 0.538 CB 1.728 102 residues pruned to eliminate duplicates Z: 18 37.404 2.338 0.984 0.888 0.941 0.647 CB 1.498 18 residues pruned to eliminate duplicates Z: 182 147.929 2.529 1.130 0.688 0.978 0.635 CB 1.756 157 residues pruned to eliminate duplicates Z: 15 24.333 2.457 0.503 0.578 1.000 0.500 CB 1.633 Z: 18 30.312 2.199 0.778 0.872 1.000 0.765 CB 1.371 18 residues pruned to eliminate duplicates Z: 12 34.029 2.302 1.017 0.768 1.000 0.727 CA 1.743 12 residues pruned to eliminate duplicates Z: 10 43.712 2.624 1.598 0.905 0.889 0.778 CB 1.712 10 residues pruned to eliminate duplicates Z: 175 124.752 2.485 0.980 0.670 0.948 0.736 CB 1.733 78 residues pruned to eliminate duplicates Z: 117 106.907 2.537 0.961 0.662 0.957 0.690 CB 1.794 117 residues pruned to eliminate duplicates Z: 131 125.396 2.549 1.039 0.740 0.977 0.692 CB 1.747 131 residues pruned to eliminate duplicates Z: 90 104.372 2.518 1.169 0.705 0.944 0.539 CB 1.781 90 residues pruned to eliminate duplicates Z: 12 31.379 2.326 1.032 0.790 1.000 0.545 CA 1.551 12 residues pruned to eliminate duplicates Z: 6 3.064 1.161 0.496 0.854 1.000 1.000 O 0.583 Z: 7 12.642 1.893 0.739 0.647 1.000 0.667 CB 1.367 Z: 183 145.972 2.535 1.170 0.686 0.940 0.621 CB 1.764 183 residues pruned to eliminate duplicates Z: 92 86.292 2.447 0.978 0.679 0.912 0.615 CB 1.738 61 residues pruned to eliminate duplicates Z: 6 2.461 1.808 -0.011 0.464 0.800 0.400 CB 0.798 Z: 184 148.607 2.535 1.142 0.716 0.967 0.579 CB 1.719 184 residues pruned to eliminate duplicates Z: 18 52.294 2.509 0.935 0.919 1.000 0.941 CB 1.841 18 residues pruned to eliminate duplicates Z: 87 113.752 2.603 1.086 0.795 0.988 0.802 CB 1.765 87 residues pruned to eliminate duplicates Z: 6 5.680 1.693 0.256 0.686 0.800 0.400 CA 1.259 Z: 27 64.901 2.563 1.027 0.837 0.962 0.846 CB 1.905 27 residues pruned to eliminate duplicates Z: 42 35.679 2.333 0.660 0.570 0.805 0.439 CB 1.670 42 residues pruned to eliminate duplicates Z: 183 150.464 2.553 1.175 0.695 0.967 0.560 CB 1.737 183 residues pruned to eliminate duplicates Z: 183 151.789 2.564 1.162 0.704 0.956 0.670 CB 1.763 183 residues pruned to eliminate duplicates Z: 176 140.484 2.511 1.141 0.676 0.971 0.583 CB 1.729 176 residues pruned to eliminate duplicates Z: 8 3.045 1.877 0.401 0.242 0.571 0.286 CB 1.033 8 residues pruned to eliminate duplicates Z: 21 67.286 2.444 1.576 0.944 0.950 0.500 CB 1.742 21 residues pruned to eliminate duplicates Z: 23 62.020 2.399 1.302 0.892 1.000 0.773 CA 1.720 23 residues pruned to eliminate duplicates Z: 64 80.781 2.593 0.953 0.704 0.952 0.746 CB 1.753 64 residues pruned to eliminate duplicates Z: 29 42.507 2.205 0.841 0.892 0.929 0.679 CB 1.531 29 residues pruned to eliminate duplicates Z: 23 53.626 2.401 1.113 0.940 0.955 0.682 CB 1.639 23 residues pruned to eliminate duplicates Z: 174 139.286 2.489 1.165 0.677 0.954 0.549 CB 1.751 135 residues pruned to eliminate duplicates Z: 26 32.023 2.321 0.661 0.553 0.960 0.760 CB 1.643 26 residues pruned to eliminate duplicates Z: 216 166.060 2.506 1.207 0.735 0.972 0.651 CB 1.706 260 residues pruned to eliminate duplicates Z: 98 96.420 2.491 1.036 0.688 0.938 0.649 CB 1.731 98 residues pruned to eliminate duplicates Z: 18 28.822 2.223 0.989 0.829 0.941 0.647 CB 1.264 Z: 6 10.437 2.055 0.625 0.645 1.000 0.800 CB 1.221 Z: 27 59.635 2.398 1.106 0.921 0.962 0.654 CB 1.696 27 residues pruned to eliminate duplicates Z: 27 69.785 2.531 1.341 0.931 0.962 0.615 CB 1.678 27 residues pruned to eliminate duplicates Z: 7 11.610 2.016 0.451 0.853 0.833 0.667 CA 1.436 7 residues pruned to eliminate duplicates Z: 6 2.240 1.286 0.350 0.495 0.600 0.600 CB 0.966 Z: 10 24.879 2.137 0.806 0.880 1.000 0.667 CB 1.557 11 residues pruned to eliminate duplicates Z: 10 14.694 2.135 0.898 0.868 0.667 0.222 CB 1.325 Z: 22 48.798 2.485 0.934 0.858 0.952 0.667 CB 1.713 22 residues pruned to eliminate duplicates Z: 10 21.102 2.122 0.769 0.893 0.889 0.889 CA 1.513 Z: 20 70.510 2.585 1.605 0.963 1.000 0.684 CB 1.642 20 residues pruned to eliminate duplicates Z: 31 73.480 2.544 1.289 0.955 0.933 0.500 CB 1.696 31 residues pruned to eliminate duplicates Z: 39 55.158 2.416 0.963 0.626 0.974 0.526 CB 1.721 39 residues pruned to eliminate duplicates Z: 181 154.318 2.565 1.185 0.690 0.972 0.617 CB 1.774 187 residues pruned to eliminate duplicates Z: 16 22.157 2.003 0.409 0.900 1.000 0.867 CB 1.448 16 residues pruned to eliminate duplicates Z: 25 62.275 2.442 1.040 0.897 1.000 0.708 CA 1.826 25 residues pruned to eliminate duplicates Z: 120 115.823 2.514 1.087 0.704 0.950 0.697 CB 1.770 158 residues pruned to eliminate duplicates Z: 7 8.673 1.978 0.160 0.719 1.000 0.667 CB 1.266 Z: 182 145.297 2.536 1.177 0.681 0.945 0.597 CB 1.753 154 residues pruned to eliminate duplicates Z: 180 138.055 2.544 1.098 0.670 0.944 0.575 CB 1.751 180 residues pruned to eliminate duplicates Z: 13 24.512 2.398 0.761 0.692 0.917 0.333 CB 1.534 13 residues pruned to eliminate duplicates Z: 146 117.968 2.516 1.053 0.701 0.931 0.655 CB 1.696 137 residues pruned to eliminate duplicates Z: 77 110.087 2.561 1.435 0.732 0.974 0.526 CB 1.687 77 residues pruned to eliminate duplicates Z: 125 116.788 2.536 1.114 0.646 0.960 0.581 CB 1.779 66 residues pruned to eliminate duplicates Z: 182 147.144 2.536 1.151 0.695 0.950 0.641 CB 1.766 182 residues pruned to eliminate duplicates Z: 32 60.838 2.478 0.872 0.933 0.968 0.871 CB 1.698 32 residues pruned to eliminate duplicates Z: 6 2.471 1.405 0.956 0.298 0.600 0.400 CB 0.840 Z: 6 16.379 2.034 1.129 0.793 1.000 0.600 CA 1.308 Z: 18 31.155 2.196 0.902 0.863 1.000 0.529 CB 1.327 18 residues pruned to eliminate duplicates Z: 11 14.054 1.971 0.707 0.844 0.900 0.400 CB 1.092 11 residues pruned to eliminate duplicates Z: 183 155.683 2.569 1.176 0.703 0.967 0.615 CB 1.774 183 residues pruned to eliminate duplicates Z: 7 3.144 1.392 0.656 0.265 0.667 0.500 CA 1.093 Z: 230 166.230 2.548 1.128 0.713 0.961 0.620 CB 1.738 230 residues pruned to eliminate duplicates Z: 183 149.810 2.555 1.097 0.674 0.984 0.582 CB 1.795 183 residues pruned to eliminate duplicates Z: 29 81.169 2.581 1.559 0.967 1.000 0.571 CB 1.583 29 residues pruned to eliminate duplicates Z: 19 62.572 2.625 1.121 0.873 1.000 0.889 CB 1.929 19 residues pruned to eliminate duplicates Z: 17 67.883 2.519 1.509 0.912 1.000 0.375 CB 1.902 Z: 18 31.932 2.200 0.928 0.882 1.000 0.765 CB 1.321 19 residues pruned to eliminate duplicates Z: 31 84.205 2.513 1.509 0.941 1.000 0.533 CB 1.692 31 residues pruned to eliminate duplicates Z: 6 3.944 1.458 0.867 0.292 1.000 0.600 CA 0.818 Z: 27 50.372 2.480 0.948 0.780 0.923 0.577 CB 1.731 27 residues pruned to eliminate duplicates Z: 18 29.590 2.188 0.738 0.885 1.000 0.882 CB 1.363 17 residues pruned to eliminate duplicates Z: 182 149.448 2.555 1.155 0.682 0.972 0.591 CB 1.755 182 residues pruned to eliminate duplicates Z: 52 96.803 2.672 1.207 0.797 1.000 0.824 CB 1.772 62 residues pruned to eliminate duplicates Z: 24 34.138 2.264 0.930 0.663 0.957 0.652 CB 1.464 24 residues pruned to eliminate duplicates Z: 14 23.316 2.014 1.172 0.597 0.846 0.538 CA 1.592 Z: 77 94.306 2.580 1.105 0.666 0.987 0.671 CB 1.731 77 residues pruned to eliminate duplicates Z: 175 132.588 2.547 0.987 0.684 0.948 0.649 CB 1.769 175 residues pruned to eliminate duplicates Z: 24 49.339 2.496 0.827 0.926 0.957 0.913 CB 1.654 24 residues pruned to eliminate duplicates Z: 12 26.237 2.247 0.814 0.828 1.000 0.818 CA 1.461 12 residues pruned to eliminate duplicates Z: 94 84.688 2.480 0.928 0.579 0.968 0.559 CB 1.759 94 residues pruned to eliminate duplicates Z: 10 4.850 1.677 0.620 0.281 0.889 0.444 CB 0.858 Z: 25 90.023 2.599 1.505 0.944 0.958 0.625 CB 2.040 26 residues pruned to eliminate duplicates Z: 19 42.024 2.237 1.079 0.846 1.000 0.444 CB 1.582 19 residues pruned to eliminate duplicates Z: 179 146.816 2.520 1.124 0.688 0.966 0.601 CB 1.791 179 residues pruned to eliminate duplicates Z: 6 4.127 1.441 1.537 0.765 1.000 0.600 N 0.399 Z: 19 25.228 2.007 0.969 0.872 0.944 0.278 CB 1.161 18 residues pruned to eliminate duplicates Z: 39 66.976 2.549 1.114 0.621 0.974 0.684 CB 1.847 39 residues pruned to eliminate duplicates Z: 35 54.609 2.543 0.829 0.751 0.941 0.824 CB 1.711 35 residues pruned to eliminate duplicates Z: 183 138.582 2.502 1.147 0.661 0.956 0.571 CB 1.723 183 residues pruned to eliminate duplicates Z: 6 2.494 1.433 0.134 0.864 1.000 1.000 CB 0.504 6 residues pruned to eliminate duplicates Z: 194 158.965 2.535 1.132 0.730 0.990 0.658 CB 1.739 200 residues pruned to eliminate duplicates Z: 130 121.828 2.537 1.155 0.677 0.969 0.589 CB 1.720 130 residues pruned to eliminate duplicates Z: 26 50.240 2.267 1.192 0.909 0.880 0.360 CB 1.631 13 residues pruned to eliminate duplicates Z: 23 32.012 2.408 0.821 0.486 0.955 0.455 CB 1.654 23 residues pruned to eliminate duplicates Z: 18 32.294 2.191 0.962 0.883 1.000 0.765 CB 1.318 Z: 32 75.818 2.504 1.305 0.957 0.968 0.677 CB 1.673 32 residues pruned to eliminate duplicates Z: 48 71.881 2.525 1.064 0.720 0.957 0.617 CB 1.723 48 residues pruned to eliminate duplicates Z: 70 61.470 2.455 0.850 0.539 0.928 0.536 CB 1.690 70 residues pruned to eliminate duplicates Z: 18 40.879 2.351 1.107 0.874 1.000 0.588 CB 1.457 18 residues pruned to eliminate duplicates Z: 7 9.845 1.968 0.628 0.878 1.000 0.667 CB 0.911 Z: 6 7.951 1.834 0.269 0.731 1.000 0.600 CA 1.241 Z: 62 60.438 2.402 0.906 0.557 0.918 0.590 CB 1.742 62 residues pruned to eliminate duplicates Z: 88 111.017 2.615 1.035 0.740 1.000 0.782 CB 1.805 88 residues pruned to eliminate duplicates Z: 113 108.692 2.571 1.030 0.648 0.964 0.527 CB 1.777 130 residues pruned to eliminate duplicates Z: 126 137.709 2.574 1.179 0.757 0.984 0.720 CB 1.777 126 residues pruned to eliminate duplicates Z: 28 56.125 2.531 0.975 0.762 0.926 0.630 CA 1.850 28 residues pruned to eliminate duplicates Z: 19 48.473 2.501 0.860 0.807 1.000 0.944 CA 1.879 19 residues pruned to eliminate duplicates Z: 64 80.491 2.533 1.102 0.640 0.937 0.571 CB 1.785 64 residues pruned to eliminate duplicates Z: 28 44.956 2.513 0.932 0.594 0.963 0.741 CB 1.692 28 residues pruned to eliminate duplicates Z: 31 80.618 2.506 1.517 0.921 0.967 0.633 CB 1.700 31 residues pruned to eliminate duplicates Z: 190 154.791 2.565 1.192 0.710 0.952 0.614 CB 1.738 190 residues pruned to eliminate duplicates Z: 18 28.897 2.201 0.810 0.849 0.941 0.706 CB 1.385 18 residues pruned to eliminate duplicates Z: 19 55.168 2.509 1.098 0.902 0.944 0.444 CB 1.865 19 residues pruned to eliminate duplicates Z: 121 122.772 2.551 1.194 0.704 0.958 0.592 CB 1.735 121 residues pruned to eliminate duplicates Z: 23 56.141 2.321 1.573 0.913 0.955 0.273 CB 1.486 24 residues pruned to eliminate duplicates Z: 25 82.064 2.590 1.428 0.908 0.958 0.583 CB 1.975 25 residues pruned to eliminate duplicates Z: 17 33.169 2.214 0.770 0.884 0.938 0.750 CA 1.630 17 residues pruned to eliminate duplicates Z: 70 67.603 2.483 0.917 0.699 0.870 0.464 CB 1.640 70 residues pruned to eliminate duplicates Z: 20 51.642 2.573 0.971 0.893 0.947 0.474 CB 1.771 20 residues pruned to eliminate duplicates Z: 8 4.786 1.814 0.210 0.420 0.857 0.571 N 1.046 Z: 27 61.206 2.546 0.876 0.867 1.000 0.731 CB 1.838 27 residues pruned to eliminate duplicates Z: 6 5.412 1.568 0.251 0.697 0.800 0.600 CA 1.289 6 residues pruned to eliminate duplicates Z: 6 6.918 1.810 0.832 0.399 0.800 0.400 CB 1.298 Z: 9 24.492 2.257 1.048 0.866 0.875 0.750 CB 1.567 9 residues pruned to eliminate duplicates Z: 48 74.338 2.558 1.134 0.715 0.936 0.723 CB 1.747 48 residues pruned to eliminate duplicates Z: 7 16.421 2.130 0.753 0.801 1.000 0.833 CB 1.381 7 residues pruned to eliminate duplicates Z: 8 12.580 1.854 0.621 0.843 1.000 0.714 CB 1.178 8 residues pruned to eliminate duplicates Z: 18 28.165 2.208 1.081 0.639 0.882 0.588 CA 1.480 18 residues pruned to eliminate duplicates Z: 6 2.050 1.196 0.227 0.391 1.000 0.600 CB 0.701 Z: 180 148.372 2.518 1.149 0.699 0.966 0.648 CB 1.769 164 residues pruned to eliminate duplicates Z: 8 3.476 1.300 0.158 0.438 1.000 0.571 CB 0.931 Z: 18 37.901 2.370 0.890 0.857 1.000 0.765 CB 1.512 18 residues pruned to eliminate duplicates Z: 53 91.858 2.546 1.352 0.817 0.962 0.577 CB 1.679 53 residues pruned to eliminate duplicates Z: 93 106.257 2.538 1.029 0.759 0.957 0.826 CB 1.786 93 residues pruned to eliminate duplicates Z: 48 58.500 2.448 0.758 0.596 0.979 0.596 CB 1.849 48 residues pruned to eliminate duplicates Z: 18 42.957 2.374 1.146 0.865 1.000 0.647 CB 1.498 18 residues pruned to eliminate duplicates Z: 67 80.392 2.499 1.031 0.685 0.924 0.667 CB 1.779 67 residues pruned to eliminate duplicates Z: 28 52.316 2.451 0.907 0.872 0.889 0.815 CA 1.767 28 residues pruned to eliminate duplicates Z: 168 155.629 2.607 1.179 0.708 0.970 0.665 CB 1.809 168 residues pruned to eliminate duplicates Z: 22 59.159 2.497 1.082 0.880 1.000 0.857 CA 1.799 22 residues pruned to eliminate duplicates Z: 6 11.486 1.729 0.611 0.816 1.000 0.600 CA 1.401 6 residues pruned to eliminate duplicates Z: 17 51.240 2.413 1.199 0.913 0.938 0.688 CB 1.822 17 residues pruned to eliminate duplicates Z: 221 167.178 2.561 1.190 0.698 0.955 0.573 CB 1.758 221 residues pruned to eliminate duplicates Z: 7 14.921 2.131 0.813 0.792 0.833 0.667 CB 1.465 7 residues pruned to eliminate duplicates Z: 50 82.699 2.600 1.093 0.731 0.980 0.673 CB 1.800 50 residues pruned to eliminate duplicates Z: 181 146.437 2.542 1.166 0.676 0.956 0.606 CB 1.763 175 residues pruned to eliminate duplicates Z: 19 37.787 2.325 0.854 0.767 0.944 0.722 CA 1.727 19 residues pruned to eliminate duplicates Z: 47 62.571 2.261 0.986 0.788 1.000 0.674 CB 1.596 44 residues pruned to eliminate duplicates Z: 19 44.959 2.451 1.124 0.844 0.944 0.556 CB 1.603 19 residues pruned to eliminate duplicates Z: 7 2.171 1.840 -0.320 0.341 0.667 0.667 O 1.262 Z: 44 57.805 2.444 1.006 0.679 0.907 0.721 CB 1.682 44 residues pruned to eliminate duplicates Z: 7 3.015 1.636 0.885 0.437 0.833 0.333 CB 0.511 Z: 178 146.516 2.542 1.179 0.689 0.944 0.582 CB 1.772 178 residues pruned to eliminate duplicates Z: 184 135.223 2.506 1.010 0.702 0.951 0.650 CB 1.735 184 residues pruned to eliminate duplicates Z: 90 108.853 2.539 1.275 0.701 0.966 0.618 CB 1.722 90 residues pruned to eliminate duplicates Z: 184 135.904 2.554 0.989 0.690 0.940 0.656 CB 1.768 190 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 230 159.784 2.488 1.175 0.719 0.948 0.603 CB 1.689 230 residues pruned to eliminate duplicates Z: 181 154.790 2.538 1.199 0.705 0.972 0.617 CB 1.765 181 residues pruned to eliminate duplicates Z: 145 138.490 2.537 1.219 0.712 0.965 0.604 CB 1.752 145 residues pruned to eliminate duplicates Z: 172 155.699 2.566 1.233 0.732 0.959 0.637 CB 1.758 172 residues pruned to eliminate duplicates Z: 182 147.358 2.533 1.168 0.690 0.950 0.564 CB 1.764 182 residues pruned to eliminate duplicates Z: 141 132.076 2.532 1.167 0.712 0.964 0.600 CB 1.741 141 residues pruned to eliminate duplicates Z: 130 135.893 2.536 1.231 0.755 0.961 0.620 CB 1.753 130 residues pruned to eliminate duplicates Z: 185 147.898 2.524 1.147 0.713 0.962 0.582 CB 1.723 185 residues pruned to eliminate duplicates Z: 186 144.288 2.520 1.162 0.703 0.946 0.546 CB 1.711 186 residues pruned to eliminate duplicates Z: 72 75.783 2.488 1.140 0.653 0.887 0.563 CB 1.651 72 residues pruned to eliminate duplicates Z: 181 149.593 2.527 1.157 0.702 0.972 0.611 CB 1.750 160 residues pruned to eliminate duplicates Z: 20 55.535 2.343 1.366 0.906 0.947 0.316 CB 1.726 20 residues pruned to eliminate duplicates Z: 130 143.104 2.571 1.312 0.746 0.977 0.620 CB 1.741 130 residues pruned to eliminate duplicates Z: 210 153.695 2.502 1.132 0.741 0.957 0.660 CB 1.679 210 residues pruned to eliminate duplicates Z: 181 156.767 2.537 1.186 0.708 0.983 0.633 CB 1.774 181 residues pruned to eliminate duplicates Z: 18 58.765 2.503 1.494 0.904 1.000 0.529 CB 1.627 18 residues pruned to eliminate duplicates Z: 180 154.375 2.541 1.212 0.699 0.966 0.592 CB 1.772 180 residues pruned to eliminate duplicates Z: 185 144.960 2.527 1.116 0.710 0.962 0.538 CB 1.716 185 residues pruned to eliminate duplicates Z: 184 146.245 2.530 1.196 0.690 0.945 0.585 CB 1.730 184 residues pruned to eliminate duplicates Z: 181 137.961 2.502 1.173 0.683 0.944 0.539 CB 1.693 181 residues pruned to eliminate duplicates Z: 184 147.184 2.535 1.193 0.701 0.934 0.563 CB 1.744 184 residues pruned to eliminate duplicates Z: 185 146.263 2.528 1.126 0.701 0.962 0.636 CB 1.737 185 residues pruned to eliminate duplicates Z: 179 138.205 2.520 1.156 0.687 0.944 0.596 CB 1.701 179 residues pruned to eliminate duplicates Z: 186 144.515 2.512 1.118 0.701 0.962 0.595 CB 1.728 186 residues pruned to eliminate duplicates Z: 230 159.727 2.488 1.190 0.704 0.952 0.581 CB 1.690 225 residues pruned to eliminate duplicates Z: 27 63.262 2.494 1.229 0.818 0.923 0.731 CB 1.833 27 residues pruned to eliminate duplicates Z: 162 152.153 2.571 1.257 0.751 0.950 0.596 CB 1.738 162 residues pruned to eliminate duplicates Z: 44 64.435 2.509 0.949 0.713 0.930 0.535 CB 1.781 44 residues pruned to eliminate duplicates Z: 184 153.791 2.544 1.187 0.703 0.967 0.634 CB 1.757 184 residues pruned to eliminate duplicates Z: 182 147.309 2.529 1.197 0.692 0.950 0.586 CB 1.739 182 residues pruned to eliminate duplicates Z: 184 154.434 2.537 1.174 0.709 0.978 0.628 CB 1.750 42 residues pruned to eliminate duplicates Z: 27 62.700 2.533 1.009 0.869 0.962 0.692 CB 1.837 27 residues pruned to eliminate duplicates Z: 184 144.993 2.521 1.183 0.689 0.945 0.563 CB 1.732 184 residues pruned to eliminate duplicates Z: 45 68.106 2.534 1.060 0.676 0.932 0.636 CB 1.795 45 residues pruned to eliminate duplicates Z: 185 145.860 2.526 1.141 0.698 0.946 0.620 CB 1.756 185 residues pruned to eliminate duplicates Z: 158 138.708 2.481 1.169 0.762 0.955 0.662 CB 1.706 158 residues pruned to eliminate duplicates Z: 47 67.719 2.521 0.921 0.693 0.978 0.717 CB 1.766 47 residues pruned to eliminate duplicates Z: 185 148.858 2.533 1.159 0.694 0.967 0.565 CB 1.738 185 residues pruned to eliminate duplicates Z: 90 92.940 2.418 1.104 0.727 0.944 0.708 CB 1.672 90 residues pruned to eliminate duplicates Z: 73 83.003 2.520 0.991 0.667 0.958 0.653 CB 1.744 73 residues pruned to eliminate duplicates Z: 45 66.338 2.525 1.053 0.662 0.955 0.750 CB 1.739 45 residues pruned to eliminate duplicates Z: 170 151.868 2.570 1.160 0.725 0.959 0.580 CB 1.792 170 residues pruned to eliminate duplicates Z: 116 127.775 2.548 1.199 0.742 0.965 0.626 CB 1.773 116 residues pruned to eliminate duplicates Z: 44 66.864 2.529 0.993 0.659 0.953 0.674 CB 1.830 44 residues pruned to eliminate duplicates Z: 184 152.103 2.546 1.163 0.705 0.951 0.607 CB 1.781 184 residues pruned to eliminate duplicates Z: 119 103.976 2.452 1.043 0.684 0.966 0.678 CB 1.671 119 residues pruned to eliminate duplicates Z: 184 148.621 2.542 1.155 0.700 0.951 0.612 CB 1.757 184 residues pruned to eliminate duplicates Z: 180 147.142 2.526 1.155 0.682 0.961 0.626 CB 1.778 180 residues pruned to eliminate duplicates Z: 43 72.253 2.523 1.046 0.690 0.976 0.690 CB 1.860 43 residues pruned to eliminate duplicates Z: 184 150.849 2.534 1.189 0.705 0.951 0.628 CB 1.755 184 residues pruned to eliminate duplicates Z: 45 62.274 2.522 0.972 0.662 0.932 0.659 CB 1.744 45 residues pruned to eliminate duplicates Z: 183 144.743 2.522 1.125 0.704 0.956 0.604 CB 1.739 183 residues pruned to eliminate duplicates Z: 186 152.390 2.526 1.186 0.697 0.962 0.627 CB 1.761 186 residues pruned to eliminate duplicates Z: 72 89.088 2.544 1.060 0.678 0.972 0.690 CB 1.763 72 residues pruned to eliminate duplicates Z: 75 81.108 2.521 1.041 0.624 0.932 0.676 CB 1.748 75 residues pruned to eliminate duplicates Z: 184 150.384 2.537 1.158 0.714 0.956 0.552 CB 1.748 184 residues pruned to eliminate duplicates Z: 184 155.088 2.548 1.130 0.718 0.973 0.645 CB 1.784 184 residues pruned to eliminate duplicates Z: 185 145.793 2.514 1.149 0.688 0.957 0.641 CB 1.750 185 residues pruned to eliminate duplicates Z: 185 151.359 2.532 1.148 0.702 0.978 0.663 CB 1.745 185 residues pruned to eliminate duplicates Z: 55 60.810 2.425 0.847 0.602 0.944 0.630 CB 1.776 55 residues pruned to eliminate duplicates Z: 56 61.295 2.429 0.902 0.611 0.927 0.582 CB 1.736 56 residues pruned to eliminate duplicates Z: 183 140.826 2.543 1.056 0.699 0.956 0.670 CB 1.741 183 residues pruned to eliminate duplicates Z: 181 147.935 2.528 1.092 0.704 0.978 0.633 CB 1.771 181 residues pruned to eliminate duplicates Z: 14 12.588 2.015 0.600 0.372 0.846 0.538 CB 1.467 14 residues pruned to eliminate duplicates Z: 147 108.238 2.485 0.989 0.648 0.911 0.637 CB 1.732 147 residues pruned to eliminate duplicates Z: 181 151.629 2.547 1.149 0.706 0.967 0.617 CB 1.770 181 residues pruned to eliminate duplicates Z: 181 151.015 2.544 1.087 0.715 0.983 0.661 CB 1.775 181 residues pruned to eliminate duplicates Z: 178 140.147 2.515 1.128 0.675 0.972 0.576 CB 1.724 178 residues pruned to eliminate duplicates Z: 139 112.115 2.485 1.009 0.669 0.949 0.703 CB 1.722 139 residues pruned to eliminate duplicates Z: 182 150.724 2.529 1.140 0.702 0.978 0.624 CB 1.760 182 residues pruned to eliminate duplicates Z: 106 98.638 2.494 0.940 0.687 0.962 0.724 CB 1.741 106 residues pruned to eliminate duplicates Z: 181 136.489 2.524 0.973 0.691 0.961 0.717 CB 1.784 181 residues pruned to eliminate duplicates Z: 179 137.626 2.542 0.988 0.693 0.944 0.719 CB 1.813 179 residues pruned to eliminate duplicates Z: 182 143.576 2.533 1.061 0.689 0.967 0.680 CB 1.778 182 residues pruned to eliminate duplicates Z: 172 141.035 2.548 1.105 0.721 0.936 0.696 CB 1.761 172 residues pruned to eliminate duplicates Z: 148 121.742 2.516 0.967 0.693 0.952 0.680 CB 1.786 148 residues pruned to eliminate duplicates Z: 203 138.177 2.483 1.002 0.681 0.955 0.658 CB 1.733 203 residues pruned to eliminate duplicates Z: 127 111.474 2.513 0.999 0.672 0.952 0.659 CB 1.772 127 residues pruned to eliminate duplicates Z: 142 129.723 2.543 1.050 0.706 0.979 0.695 CB 1.776 142 residues pruned to eliminate duplicates Z: 183 133.126 2.498 0.997 0.692 0.940 0.709 CB 1.767 183 residues pruned to eliminate duplicates Z: 181 145.011 2.544 1.041 0.705 0.967 0.728 CB 1.787 181 residues pruned to eliminate duplicates Z: 108 122.828 2.537 1.098 0.746 0.991 0.776 CB 1.807 108 residues pruned to eliminate duplicates Z: 179 145.176 2.535 1.073 0.686 0.966 0.663 CB 1.806 179 residues pruned to eliminate duplicates Z: 162 124.819 2.526 0.954 0.687 0.944 0.739 CB 1.778 162 residues pruned to eliminate duplicates Z: 179 136.751 2.495 1.039 0.680 0.961 0.697 CB 1.777 179 residues pruned to eliminate duplicates Z: 79 88.899 2.549 1.036 0.667 0.962 0.692 CB 1.728 79 residues pruned to eliminate duplicates Z: 119 108.211 2.505 0.941 0.706 0.958 0.703 CB 1.774 119 residues pruned to eliminate duplicates Z: 182 143.974 2.536 1.063 0.683 0.972 0.696 CB 1.778 182 residues pruned to eliminate duplicates Z: 179 135.488 2.526 1.031 0.680 0.949 0.652 CB 1.767 179 residues pruned to eliminate duplicates Z: 143 125.974 2.516 1.077 0.695 0.958 0.676 CB 1.767 143 residues pruned to eliminate duplicates Z: 184 138.389 2.515 0.979 0.700 0.973 0.645 CB 1.762 184 residues pruned to eliminate duplicates Z: 230 152.928 2.474 1.069 0.712 0.943 0.677 CB 1.727 230 residues pruned to eliminate duplicates Z: 21 66.971 2.592 1.256 0.856 1.000 0.750 CA 1.889 21 residues pruned to eliminate duplicates Z: 179 143.075 2.543 1.044 0.691 0.966 0.702 CB 1.793 179 residues pruned to eliminate duplicates Z: 180 138.411 2.533 0.995 0.701 0.955 0.693 CB 1.783 180 residues pruned to eliminate duplicates Z: 94 108.485 2.557 1.092 0.738 0.968 0.763 CB 1.755 94 residues pruned to eliminate duplicates Z: 106 120.572 2.565 1.059 0.753 0.990 0.733 CB 1.795 106 residues pruned to eliminate duplicates Z: 119 111.645 2.516 1.002 0.705 0.958 0.729 CB 1.769 119 residues pruned to eliminate duplicates Z: 131 111.157 2.489 0.984 0.656 0.962 0.708 CB 1.776 131 residues pruned to eliminate duplicates Z: 178 136.839 2.544 1.064 0.680 0.927 0.638 CB 1.792 178 residues pruned to eliminate duplicates Z: 164 130.741 2.529 0.997 0.699 0.963 0.693 CB 1.756 164 residues pruned to eliminate duplicates Z: 180 136.819 2.536 1.039 0.696 0.939 0.642 CB 1.762 180 residues pruned to eliminate duplicates Z: 68 88.519 2.576 1.075 0.713 0.955 0.761 CB 1.746 68 residues pruned to eliminate duplicates Z: 185 134.423 2.496 1.029 0.704 0.940 0.696 CB 1.729 185 residues pruned to eliminate duplicates Z: 180 143.642 2.542 1.043 0.700 0.961 0.693 CB 1.793 180 residues pruned to eliminate duplicates Z: 181 142.124 2.543 1.099 0.682 0.950 0.617 CB 1.768 181 residues pruned to eliminate duplicates Z: 76 85.790 2.525 1.046 0.657 0.947 0.707 CB 1.751 76 residues pruned to eliminate duplicates Z: 64 87.913 2.586 1.006 0.715 0.984 0.683 CB 1.785 64 residues pruned to eliminate duplicates Z: 184 135.774 2.530 0.958 0.705 0.956 0.683 CB 1.757 184 residues pruned to eliminate duplicates Z: 10 41.283 2.706 0.985 0.879 1.000 0.667 CB 1.858 10 residues pruned to eliminate duplicates Z: 186 129.963 2.497 0.981 0.697 0.941 0.643 CB 1.716 186 residues pruned to eliminate duplicates Z: 130 134.617 2.564 1.157 0.737 0.969 0.736 CB 1.787 130 residues pruned to eliminate duplicates Z: 66 92.447 2.602 1.063 0.738 0.985 0.800 CB 1.753 66 residues pruned to eliminate duplicates Z: 71 89.512 2.520 1.178 0.684 0.943 0.700 CB 1.747 71 residues pruned to eliminate duplicates Z: 182 148.303 2.533 1.087 0.706 0.967 0.685 CB 1.789 118 residues pruned to eliminate duplicates Z: 13 44.955 2.627 1.306 0.689 1.000 0.417 CB 1.801 13 residues pruned to eliminate duplicates Z: 182 143.682 2.532 1.053 0.698 0.950 0.707 CB 1.804 182 residues pruned to eliminate duplicates Z: 181 142.946 2.515 1.092 0.704 0.956 0.694 CB 1.761 181 residues pruned to eliminate duplicates Z: 67 93.146 2.597 1.147 0.722 0.970 0.697 CB 1.735 67 residues pruned to eliminate duplicates Z: 181 149.946 2.539 1.091 0.703 0.978 0.706 CB 1.789 181 residues pruned to eliminate duplicates Z: 146 131.960 2.568 1.055 0.746 0.938 0.669 CB 1.776 41 residues pruned to eliminate duplicates Z: 30 58.565 2.558 0.882 0.948 0.966 0.828 CB 1.615 30 residues pruned to eliminate duplicates Z: 68 94.677 2.600 1.167 0.718 0.970 0.761 CB 1.738 68 residues pruned to eliminate duplicates Z: 160 128.545 2.505 1.060 0.687 0.943 0.679 CB 1.763 107 residues pruned to eliminate duplicates Z: 31 61.272 2.504 0.950 0.939 0.967 0.767 CB 1.647 31 residues pruned to eliminate duplicates Z: 185 139.998 2.530 1.067 0.700 0.946 0.609 CB 1.739 185 residues pruned to eliminate duplicates Z: 172 144.105 2.541 1.139 0.675 0.965 0.673 CB 1.789 172 residues pruned to eliminate duplicates Z: 68 101.442 2.624 1.197 0.729 0.985 0.642 CB 1.775 68 residues pruned to eliminate duplicates Z: 172 147.344 2.566 1.116 0.730 0.953 0.667 CB 1.770 172 residues pruned to eliminate duplicates Z: 181 148.639 2.536 1.153 0.697 0.950 0.650 CB 1.784 181 residues pruned to eliminate duplicates Z: 215 158.530 2.495 1.174 0.733 0.958 0.631 CB 1.691 215 residues pruned to eliminate duplicates Z: 178 146.197 2.540 1.151 0.685 0.972 0.633 CB 1.747 178 residues pruned to eliminate duplicates Z: 120 117.554 2.500 1.149 0.691 0.966 0.639 CB 1.743 120 residues pruned to eliminate duplicates Z: 180 148.534 2.540 1.129 0.701 0.972 0.654 CB 1.758 184 residues pruned to eliminate duplicates Z: 30 75.283 2.576 1.251 0.947 1.000 0.655 CB 1.666 30 residues pruned to eliminate duplicates Z: 88 116.216 2.543 1.274 0.773 0.977 0.621 CB 1.732 88 residues pruned to eliminate duplicates Z: 91 113.664 2.576 1.254 0.739 0.967 0.622 CB 1.723 91 residues pruned to eliminate duplicates Z: 180 141.065 2.512 1.165 0.679 0.939 0.631 CB 1.752 166 residues pruned to eliminate duplicates Z: 32 78.600 2.511 1.465 0.948 0.968 0.516 CB 1.628 32 residues pruned to eliminate duplicates Z: 110 116.666 2.482 1.153 0.730 0.972 0.615 CB 1.748 110 residues pruned to eliminate duplicates Z: 182 150.202 2.512 1.210 0.702 0.956 0.652 CB 1.751 182 residues pruned to eliminate duplicates Z: 45 66.179 2.387 1.119 0.681 0.932 0.705 CB 1.792 45 residues pruned to eliminate duplicates Z: 47 77.404 2.436 1.127 0.741 0.957 0.739 CB 1.856 47 residues pruned to eliminate duplicates Z: 83 122.849 2.596 1.415 0.769 0.976 0.683 CB 1.747 83 residues pruned to eliminate duplicates Z: 182 139.798 2.532 1.105 0.683 0.928 0.586 CB 1.776 182 residues pruned to eliminate duplicates Z: 180 146.386 2.541 1.119 0.700 0.955 0.637 CB 1.773 180 residues pruned to eliminate duplicates Z: 179 144.810 2.531 1.149 0.680 0.955 0.657 CB 1.771 179 residues pruned to eliminate duplicates Z: 158 138.750 2.536 1.171 0.711 0.949 0.605 CB 1.750 158 residues pruned to eliminate duplicates Z: 184 149.305 2.533 1.152 0.710 0.956 0.645 CB 1.749 184 residues pruned to eliminate duplicates Z: 142 127.138 2.509 1.166 0.695 0.943 0.624 CB 1.748 142 residues pruned to eliminate duplicates Z: 173 144.043 2.554 1.163 0.713 0.948 0.587 CB 1.729 173 residues pruned to eliminate duplicates Z: 178 139.004 2.522 1.140 0.679 0.944 0.616 CB 1.741 178 residues pruned to eliminate duplicates Z: 183 148.064 2.551 1.118 0.709 0.956 0.593 CB 1.757 183 residues pruned to eliminate duplicates Z: 122 121.352 2.479 1.201 0.696 0.959 0.620 CB 1.764 122 residues pruned to eliminate duplicates Z: 130 135.233 2.562 1.288 0.736 0.946 0.574 CB 1.738 130 residues pruned to eliminate duplicates Z: 180 147.474 2.538 1.164 0.690 0.955 0.654 CB 1.766 180 residues pruned to eliminate duplicates Z: 180 147.317 2.547 1.153 0.698 0.950 0.654 CB 1.764 180 residues pruned to eliminate duplicates Z: 106 127.191 2.568 1.278 0.757 0.962 0.648 CB 1.755 106 residues pruned to eliminate duplicates Z: 183 148.307 2.529 1.115 0.707 0.967 0.621 CB 1.760 183 residues pruned to eliminate duplicates Z: 146 133.114 2.518 1.229 0.688 0.952 0.579 CB 1.742 146 residues pruned to eliminate duplicates Z: 185 150.251 2.529 1.216 0.701 0.951 0.533 CB 1.731 185 residues pruned to eliminate duplicates Z: 182 154.748 2.534 1.202 0.707 0.967 0.575 CB 1.767 169 residues pruned to eliminate duplicates Z: 28 51.627 2.406 0.922 0.915 0.889 0.556 CB 1.709 28 residues pruned to eliminate duplicates Z: 184 155.756 2.538 1.181 0.717 0.984 0.579 CB 1.737 184 residues pruned to eliminate duplicates Z: 182 143.924 2.521 1.159 0.694 0.939 0.602 CB 1.753 182 residues pruned to eliminate duplicates Z: 184 148.756 2.525 1.186 0.701 0.951 0.596 CB 1.745 184 residues pruned to eliminate duplicates Z: 130 144.381 2.570 1.309 0.739 0.984 0.667 CB 1.756 130 residues pruned to eliminate duplicates Z: 187 136.115 2.491 1.073 0.680 0.946 0.538 CB 1.731 187 residues pruned to eliminate duplicates Z: 180 144.247 2.509 1.156 0.694 0.961 0.615 CB 1.738 180 residues pruned to eliminate duplicates Z: 130 132.627 2.545 1.214 0.738 0.969 0.605 CB 1.728 130 residues pruned to eliminate duplicates Z: 184 150.499 2.521 1.187 0.695 0.962 0.601 CB 1.756 184 residues pruned to eliminate duplicates Z: 181 143.103 2.535 1.176 0.680 0.939 0.578 CB 1.746 181 residues pruned to eliminate duplicates Z: 142 131.459 2.532 1.214 0.707 0.943 0.610 CB 1.735 25 residues pruned to eliminate duplicates Z: 23 51.165 2.379 0.939 0.915 1.000 0.773 CB 1.671 23 residues pruned to eliminate duplicates Z: 46 64.818 2.355 1.096 0.680 0.956 0.644 CB 1.736 46 residues pruned to eliminate duplicates Z: 146 126.951 2.495 1.162 0.689 0.952 0.628 CB 1.726 146 residues pruned to eliminate duplicates Z: 227 153.118 2.459 1.143 0.706 0.951 0.597 CB 1.684 227 residues pruned to eliminate duplicates Z: 62 74.253 2.379 1.092 0.684 0.918 0.541 CB 1.758 62 residues pruned to eliminate duplicates Z: 194 154.529 2.543 1.202 0.708 0.948 0.617 CB 1.734 194 residues pruned to eliminate duplicates Z: 106 100.923 2.569 0.896 0.683 0.952 0.762 CB 1.795 106 residues pruned to eliminate duplicates Z: 71 79.418 2.526 1.032 0.611 0.957 0.614 CB 1.739 71 residues pruned to eliminate duplicates Z: 66 89.436 2.624 1.079 0.709 0.954 0.692 CB 1.762 66 residues pruned to eliminate duplicates Z: 180 142.594 2.567 1.070 0.678 0.950 0.564 CB 1.793 166 residues pruned to eliminate duplicates Z: 23 43.600 2.333 0.928 0.819 1.000 0.727 CB 1.567 23 residues pruned to eliminate duplicates Z: 182 150.987 2.574 1.144 0.676 0.961 0.569 CB 1.798 102 residues pruned to eliminate duplicates Z: 11 35.409 2.298 0.918 0.871 1.000 0.800 CA 1.853 11 residues pruned to eliminate duplicates Z: 108 105.117 2.586 0.977 0.645 0.953 0.598 CB 1.821 101 residues pruned to eliminate duplicates Z: 14 33.027 2.360 1.164 0.683 0.923 0.308 CB 1.642 14 residues pruned to eliminate duplicates Z: 57 78.710 2.618 0.986 0.681 0.946 0.679 CB 1.811 57 residues pruned to eliminate duplicates Z: 59 84.377 2.600 1.056 0.693 0.983 0.707 CB 1.768 59 residues pruned to eliminate duplicates Z: 70 83.562 2.556 1.048 0.622 0.971 0.638 CB 1.765 70 residues pruned to eliminate duplicates Z: 182 137.905 2.565 0.940 0.681 0.961 0.674 CB 1.814 153 residues pruned to eliminate duplicates Z: 31 43.687 2.406 0.538 0.894 1.000 0.900 CB 1.547 31 residues pruned to eliminate duplicates Z: 78 85.147 2.538 1.035 0.637 0.961 0.649 CB 1.719 78 residues pruned to eliminate duplicates Z: 141 122.509 2.569 0.958 0.696 0.971 0.736 CB 1.772 141 residues pruned to eliminate duplicates Z: 122 111.018 2.562 0.989 0.656 0.959 0.595 CB 1.787 122 residues pruned to eliminate duplicates Z: 58 85.773 2.593 1.098 0.690 0.982 0.649 CB 1.786 58 residues pruned to eliminate duplicates Z: 80 92.277 2.580 1.042 0.664 0.975 0.696 CB 1.736 80 residues pruned to eliminate duplicates Z: 104 99.661 2.555 0.970 0.625 0.961 0.592 CB 1.804 104 residues pruned to eliminate duplicates Z: 66 88.670 2.592 1.086 0.706 0.985 0.692 CB 1.713 66 residues pruned to eliminate duplicates Z: 104 100.017 2.573 0.947 0.630 0.951 0.563 CB 1.830 104 residues pruned to eliminate duplicates Z: 103 102.594 2.581 0.989 0.620 0.961 0.618 CB 1.839 103 residues pruned to eliminate duplicates Z: 163 129.663 2.535 0.977 0.666 0.963 0.636 CB 1.810 149 residues pruned to eliminate duplicates Z: 33 54.592 2.378 0.892 0.882 0.969 0.719 CB 1.602 33 residues pruned to eliminate duplicates Z: 77 92.030 2.575 1.106 0.654 0.974 0.632 CB 1.732 77 residues pruned to eliminate duplicates Z: 79 91.306 2.547 1.125 0.655 0.974 0.615 CB 1.698 79 residues pruned to eliminate duplicates Z: 104 107.277 2.601 1.042 0.646 0.961 0.621 CB 1.806 104 residues pruned to eliminate duplicates Z: 181 148.295 2.578 1.096 0.684 0.967 0.656 CB 1.787 181 residues pruned to eliminate duplicates Z: 77 88.443 2.564 1.076 0.650 0.961 0.724 CB 1.725 77 residues pruned to eliminate duplicates Z: 179 146.075 2.574 1.092 0.675 0.972 0.657 CB 1.780 179 residues pruned to eliminate duplicates Z: 184 145.986 2.570 1.068 0.691 0.973 0.645 CB 1.752 184 residues pruned to eliminate duplicates Z: 182 137.194 2.562 1.008 0.681 0.945 0.646 CB 1.776 144 residues pruned to eliminate duplicates Z: 30 77.153 2.589 1.401 0.924 0.966 0.724 CB 1.676 30 residues pruned to eliminate duplicates Z: 182 152.137 2.570 1.142 0.683 0.961 0.619 CB 1.806 182 residues pruned to eliminate duplicates Z: 184 145.854 2.573 1.073 0.684 0.962 0.683 CB 1.775 184 residues pruned to eliminate duplicates Z: 182 139.537 2.560 1.081 0.678 0.945 0.624 CB 1.748 182 residues pruned to eliminate duplicates Z: 181 151.461 2.578 1.134 0.699 0.961 0.672 CB 1.779 181 residues pruned to eliminate duplicates Z: 129 141.841 2.605 1.251 0.739 0.977 0.750 CB 1.768 129 residues pruned to eliminate duplicates Z: 132 117.885 2.522 1.140 0.659 0.969 0.626 CB 1.698 132 residues pruned to eliminate duplicates Z: 175 147.401 2.592 1.121 0.696 0.948 0.644 CB 1.792 190 residues pruned to eliminate duplicates Z: 33 76.503 2.532 1.513 0.849 0.969 0.594 CB 1.627 33 residues pruned to eliminate duplicates Z: 48 72.723 2.452 1.030 0.732 0.979 0.787 CB 1.768 48 residues pruned to eliminate duplicates Z: 149 129.479 2.542 1.173 0.685 0.939 0.574 CB 1.730 82 residues pruned to eliminate duplicates Z: 28 61.926 2.495 0.996 0.916 1.000 0.852 CB 1.690 28 residues pruned to eliminate duplicates Z: 135 131.971 2.574 1.198 0.750 0.918 0.604 CB 1.755 135 residues pruned to eliminate duplicates Z: 68 99.392 2.574 1.281 0.741 0.955 0.627 CB 1.745 68 residues pruned to eliminate duplicates Z: 182 144.443 2.560 1.115 0.678 0.945 0.586 CB 1.782 182 residues pruned to eliminate duplicates Z: 183 145.184 2.557 1.148 0.691 0.951 0.604 CB 1.731 140 residues pruned to eliminate duplicates Z: 28 57.176 2.464 0.855 0.918 1.000 0.778 CB 1.698 28 residues pruned to eliminate duplicates Z: 130 136.478 2.586 1.219 0.730 0.961 0.651 CB 1.772 130 residues pruned to eliminate duplicates Z: 169 150.425 2.579 1.244 0.717 0.935 0.607 CB 1.763 169 residues pruned to eliminate duplicates Z: 181 139.259 2.551 1.072 0.689 0.950 0.583 CB 1.738 181 residues pruned to eliminate duplicates Z: 182 144.464 2.566 1.110 0.668 0.956 0.597 CB 1.776 144 residues pruned to eliminate duplicates Z: 27 73.150 2.555 1.156 0.934 1.000 0.808 CB 1.815 27 residues pruned to eliminate duplicates Z: 144 132.565 2.547 1.209 0.687 0.972 0.615 CB 1.708 144 residues pruned to eliminate duplicates Z: 228 159.056 2.531 1.131 0.712 0.943 0.626 CB 1.713 228 residues pruned to eliminate duplicates Z: 182 144.553 2.560 1.144 0.694 0.945 0.558 CB 1.735 182 residues pruned to eliminate duplicates Z: 144 130.039 2.568 1.184 0.703 0.944 0.587 CB 1.708 144 residues pruned to eliminate duplicates Z: 183 148.238 2.582 1.159 0.703 0.945 0.505 CB 1.734 183 residues pruned to eliminate duplicates Z: 183 146.924 2.555 1.203 0.679 0.951 0.549 CB 1.726 183 residues pruned to eliminate duplicates Z: 184 145.187 2.550 1.198 0.695 0.940 0.530 CB 1.705 184 residues pruned to eliminate duplicates Z: 182 155.436 2.573 1.198 0.700 0.961 0.580 CB 1.771 182 residues pruned to eliminate duplicates Z: 181 148.409 2.570 1.187 0.686 0.956 0.578 CB 1.737 181 residues pruned to eliminate duplicates Z: 183 150.312 2.562 1.138 0.690 0.956 0.522 CB 1.788 183 residues pruned to eliminate duplicates Z: 47 85.185 2.494 1.317 0.742 0.978 0.674 CB 1.789 18 residues pruned to eliminate duplicates Z: 26 72.862 2.557 1.327 0.937 0.960 0.520 CB 1.776 26 residues pruned to eliminate duplicates Z: 229 164.476 2.554 1.143 0.698 0.947 0.561 CB 1.753 229 residues pruned to eliminate duplicates Z: 182 152.738 2.573 1.109 0.700 0.972 0.547 CB 1.792 182 residues pruned to eliminate duplicates Z: 184 148.141 2.573 1.139 0.699 0.945 0.568 CB 1.755 110 residues pruned to eliminate duplicates Z: 7 7.063 2.115 1.116 0.501 0.667 0.333 CB 0.965 Z: 8 10.855 2.196 0.384 0.622 0.857 0.571 CB 1.403 7 residues pruned to eliminate duplicates Z: 8 6.118 1.751 0.828 0.850 0.857 0.714 CB 0.625 7 residues pruned to eliminate duplicates Z: 8 8.397 1.764 0.951 0.542 0.714 0.571 CB 1.239 8 residues pruned to eliminate duplicates Z: 7 13.344 2.020 1.284 0.540 1.000 0.833 CB 1.136 16 residues pruned to eliminate duplicates Z: 155 136.332 2.523 1.226 0.694 0.961 0.604 CB 1.704 154 residues pruned to eliminate duplicates Z: 20 52.142 2.615 1.003 0.874 0.947 0.737 CB 1.755 20 residues pruned to eliminate duplicates Z: 143 130.323 2.550 1.198 0.697 0.958 0.606 CB 1.701 143 residues pruned to eliminate duplicates Z: 216 171.281 2.572 1.205 0.733 0.953 0.647 CB 1.752 216 residues pruned to eliminate duplicates Z: 181 152.015 2.572 1.219 0.699 0.956 0.544 CB 1.733 181 residues pruned to eliminate duplicates Z: 181 145.583 2.569 1.147 0.679 0.944 0.583 CB 1.767 181 residues pruned to eliminate duplicates Z: 184 142.187 2.557 1.147 0.696 0.929 0.568 CB 1.723 142 residues pruned to eliminate duplicates Z: 18 68.676 2.538 1.435 0.894 1.000 0.765 CB 1.933 18 residues pruned to eliminate duplicates Z: 182 156.534 2.577 1.149 0.703 0.978 0.624 CB 1.785 182 residues pruned to eliminate duplicates Z: 177 149.159 2.576 1.144 0.692 0.960 0.597 CB 1.778 143 residues pruned to eliminate duplicates Z: 19 69.218 2.494 1.545 0.869 1.000 0.722 CB 1.878 19 residues pruned to eliminate duplicates Z: 146 136.422 2.542 1.205 0.694 0.979 0.593 CB 1.728 146 residues pruned to eliminate duplicates Z: 183 149.960 2.567 1.118 0.696 0.967 0.637 CB 1.768 183 residues pruned to eliminate duplicates Z: 184 147.857 2.580 1.182 0.703 0.918 0.530 CB 1.758 184 residues pruned to eliminate duplicates Z: 178 131.213 2.527 1.053 0.658 0.944 0.627 CB 1.740 178 residues pruned to eliminate duplicates Z: 171 137.422 2.549 1.129 0.701 0.935 0.565 CB 1.728 171 residues pruned to eliminate duplicates Z: 185 150.609 2.569 1.190 0.699 0.940 0.554 CB 1.749 185 residues pruned to eliminate duplicates Z: 185 143.357 2.556 1.126 0.671 0.957 0.538 CB 1.736 185 residues pruned to eliminate duplicates Z: 182 151.673 2.572 1.166 0.677 0.967 0.564 CB 1.778 182 residues pruned to eliminate duplicates Z: 182 153.223 2.580 1.153 0.692 0.972 0.597 CB 1.768 182 residues pruned to eliminate duplicates Z: 185 156.405 2.569 1.231 0.698 0.957 0.576 CB 1.756 185 residues pruned to eliminate duplicates Z: 28 53.129 2.433 0.814 0.857 0.926 0.519 CA 1.845 28 residues pruned to eliminate duplicates Z: 216 162.015 2.561 1.111 0.738 0.949 0.567 CB 1.739 216 residues pruned to eliminate duplicates Z: 184 149.051 2.563 1.166 0.701 0.951 0.601 CB 1.737 184 residues pruned to eliminate duplicates Z: 50 57.269 2.454 0.963 0.553 0.898 0.592 CB 1.796 50 residues pruned to eliminate duplicates Z: 46 66.660 2.549 1.001 0.635 0.933 0.533 CB 1.840 46 residues pruned to eliminate duplicates Z: 184 156.700 2.583 1.196 0.693 0.973 0.612 CB 1.760 184 residues pruned to eliminate duplicates Z: 36 60.554 2.565 1.038 0.669 0.914 0.686 CB 1.832 36 residues pruned to eliminate duplicates Z: 15 38.201 2.160 1.020 0.883 1.000 0.786 CA 1.692 15 residues pruned to eliminate duplicates Z: 90 100.114 2.525 1.068 0.697 0.944 0.652 CB 1.798 90 residues pruned to eliminate duplicates Z: 185 153.681 2.557 1.269 0.683 0.946 0.592 CB 1.745 185 residues pruned to eliminate duplicates Z: 171 156.706 2.594 1.174 0.721 0.982 0.635 CB 1.777 171 residues pruned to eliminate duplicates Z: 39 53.672 2.457 0.896 0.626 0.895 0.605 CB 1.854 39 residues pruned to eliminate duplicates Z: 71 85.675 2.567 0.976 0.635 0.957 0.614 CB 1.858 71 residues pruned to eliminate duplicates Z: 229 168.141 2.561 1.167 0.712 0.947 0.601 CB 1.748 229 residues pruned to eliminate duplicates Z: 183 151.106 2.563 1.176 0.688 0.951 0.566 CB 1.778 183 residues pruned to eliminate duplicates Z: 45 64.991 2.537 0.893 0.663 0.932 0.568 CB 1.883 45 residues pruned to eliminate duplicates Z: 36 58.561 2.609 0.751 0.660 0.971 0.571 CB 1.923 36 residues pruned to eliminate duplicates Z: 184 159.287 2.585 1.205 0.694 0.973 0.634 CB 1.778 184 residues pruned to eliminate duplicates Z: 49 67.970 2.477 1.037 0.633 0.958 0.625 CB 1.791 49 residues pruned to eliminate duplicates Z: 211 175.528 2.570 1.206 0.747 0.962 0.619 CB 1.781 211 residues pruned to eliminate duplicates Z: 28 64.571 2.706 0.972 0.679 1.000 0.556 CB 1.975 29 residues pruned to eliminate duplicates Z: 27 70.894 2.591 1.058 0.835 1.000 0.731 CA 1.953 27 residues pruned to eliminate duplicates Z: 22 32.546 2.527 0.724 0.514 0.952 0.524 CB 1.688 22 residues pruned to eliminate duplicates Z: 177 151.715 2.570 1.206 0.681 0.966 0.540 CB 1.768 177 residues pruned to eliminate duplicates Z: 23 34.141 2.455 0.941 0.451 0.909 0.545 CB 1.768 23 residues pruned to eliminate duplicates Z: 81 100.544 2.524 1.061 0.733 0.975 0.725 CB 1.798 81 residues pruned to eliminate duplicates Z: 184 157.156 2.577 1.160 0.698 0.978 0.590 CB 1.781 184 residues pruned to eliminate duplicates Z: 35 59.485 2.604 0.794 0.661 0.971 0.647 CB 1.939 35 residues pruned to eliminate duplicates Z: 182 156.476 2.576 1.219 0.693 0.967 0.575 CB 1.765 182 residues pruned to eliminate duplicates Z: 184 157.028 2.583 1.192 0.698 0.962 0.628 CB 1.779 184 residues pruned to eliminate duplicates Z: 41 54.311 2.496 0.863 0.576 0.950 0.600 CB 1.807 41 residues pruned to eliminate duplicates Z: 182 154.081 2.580 1.158 0.693 0.972 0.591 CB 1.774 182 residues pruned to eliminate duplicates Z: 181 151.059 2.566 1.213 0.676 0.956 0.556 CB 1.765 181 residues pruned to eliminate duplicates Z: 48 67.052 2.476 0.970 0.658 0.957 0.574 CB 1.808 48 residues pruned to eliminate duplicates Z: 22 27.756 2.443 0.728 0.426 0.905 0.524 CB 1.713 5 residues pruned to eliminate duplicates Z: 12 18.888 2.160 0.657 0.636 0.818 0.364 CB 1.711 Z: 11 18.035 2.257 0.478 0.627 0.900 0.500 CA 1.686 12 residues pruned to eliminate duplicates Z: 7 5.367 1.958 0.762 0.156 0.833 0.167 CA 1.161 Z: 6 8.880 2.203 1.107 0.235 0.800 0.400 CA 1.454 13 residues pruned to eliminate duplicates Z: 78 78.997 2.543 0.866 0.655 0.948 0.688 CB 1.733 89 residues pruned to eliminate duplicates Z: 181 140.073 2.559 1.045 0.684 0.950 0.622 CB 1.775 114 residues pruned to eliminate duplicates Z: 7 7.271 2.027 0.412 0.458 0.833 0.667 CA 1.299 Z: 8 8.956 1.828 0.438 0.657 0.857 0.857 CA 1.299 6 residues pruned to eliminate duplicates Z: 7 8.289 1.974 0.617 0.667 0.833 0.333 CA 1.090 8 residues pruned to eliminate duplicates Z: 7 12.182 2.128 0.672 0.481 1.000 0.333 CA 1.425 7 residues pruned to eliminate duplicates Z: 8 10.180 2.159 0.516 0.443 0.857 0.429 CB 1.454 16 residues pruned to eliminate duplicates Z: 183 135.051 2.558 0.945 0.690 0.962 0.643 CB 1.759 183 residues pruned to eliminate duplicates Z: 182 136.284 2.532 1.045 0.660 0.956 0.646 CB 1.765 182 residues pruned to eliminate duplicates Z: 112 106.215 2.568 0.948 0.628 0.964 0.622 CB 1.854 112 residues pruned to eliminate duplicates Z: 182 146.285 2.579 1.077 0.681 0.950 0.619 CB 1.809 182 residues pruned to eliminate duplicates Z: 131 129.278 2.594 0.999 0.731 0.985 0.700 CB 1.804 131 residues pruned to eliminate duplicates Z: 123 110.211 2.554 0.983 0.642 0.967 0.607 CB 1.783 123 residues pruned to eliminate duplicates Z: 180 142.058 2.550 1.085 0.659 0.955 0.559 CB 1.803 180 residues pruned to eliminate duplicates Z: 182 130.041 2.572 0.859 0.693 0.945 0.713 CB 1.794 182 residues pruned to eliminate duplicates Z: 103 100.387 2.592 0.920 0.631 0.961 0.637 CB 1.838 103 residues pruned to eliminate duplicates Z: 182 141.410 2.578 1.027 0.669 0.961 0.669 CB 1.789 182 residues pruned to eliminate duplicates Z: 182 141.747 2.570 0.982 0.696 0.956 0.674 CB 1.810 182 residues pruned to eliminate duplicates Z: 72 72.092 2.519 0.927 0.585 0.944 0.592 CB 1.720 72 residues pruned to eliminate duplicates Z: 182 139.314 2.554 1.055 0.677 0.956 0.624 CB 1.755 182 residues pruned to eliminate duplicates Z: 56 81.148 2.623 1.007 0.670 0.982 0.673 CB 1.809 56 residues pruned to eliminate duplicates Z: 185 132.817 2.530 0.949 0.684 0.957 0.696 CB 1.752 185 residues pruned to eliminate duplicates Z: 141 121.531 2.571 1.000 0.634 0.971 0.629 CB 1.813 141 residues pruned to eliminate duplicates Z: 183 146.537 2.565 1.118 0.677 0.956 0.560 CB 1.777 183 residues pruned to eliminate duplicates Z: 183 136.746 2.532 0.955 0.681 0.967 0.698 CB 1.792 183 residues pruned to eliminate duplicates Z: 132 121.209 2.564 1.038 0.657 0.969 0.649 CB 1.806 132 residues pruned to eliminate duplicates Z: 112 103.138 2.553 0.967 0.630 0.946 0.613 CB 1.824 112 residues pruned to eliminate duplicates Z: 115 109.722 2.556 1.012 0.634 0.965 0.640 CB 1.825 115 residues pruned to eliminate duplicates Z: 181 144.321 2.578 1.011 0.693 0.972 0.639 CB 1.789 181 residues pruned to eliminate duplicates Z: 182 146.678 2.579 1.071 0.688 0.961 0.663 CB 1.787 182 residues pruned to eliminate duplicates Z: 175 143.086 2.564 1.002 0.699 0.966 0.690 CB 1.826 175 residues pruned to eliminate duplicates Z: 182 146.827 2.563 1.081 0.688 0.961 0.646 CB 1.792 182 residues pruned to eliminate duplicates Z: 140 128.570 2.578 1.049 0.698 0.971 0.741 CB 1.775 140 residues pruned to eliminate duplicates Z: 179 144.786 2.560 1.134 0.660 0.961 0.579 CB 1.783 171 residues pruned to eliminate duplicates Z: 22 58.198 2.540 1.106 0.871 1.000 0.857 CB 1.731 22 residues pruned to eliminate duplicates Z: 142 120.618 2.567 1.001 0.694 0.943 0.723 CB 1.756 142 residues pruned to eliminate duplicates Z: 183 150.409 2.575 1.113 0.678 0.967 0.571 CB 1.798 183 residues pruned to eliminate duplicates Z: 47 79.955 2.463 1.153 0.796 0.957 0.739 CB 1.793 Z: 21 31.202 2.140 0.968 0.720 0.900 0.600 CB 1.508 21 residues pruned to eliminate duplicates Z: 49 70.793 2.437 1.086 0.725 0.938 0.646 CB 1.750 49 residues pruned to eliminate duplicates Z: 47 84.626 2.469 1.240 0.805 0.978 0.717 CB 1.766 47 residues pruned to eliminate duplicates Z: 18 42.704 2.378 1.110 0.865 1.000 0.529 CB 1.513 18 residues pruned to eliminate duplicates Z: 228 170.009 2.551 1.178 0.706 0.956 0.590 CB 1.762 275 residues pruned to eliminate duplicates Z: 68 79.117 2.378 1.135 0.713 0.910 0.627 CB 1.724 Z: 20 33.886 2.219 0.966 0.767 0.947 0.684 CB 1.484 20 residues pruned to eliminate duplicates Z: 49 75.899 2.451 1.160 0.759 0.958 0.688 CB 1.715 49 residues pruned to eliminate duplicates Z: 49 66.235 2.404 0.987 0.746 0.938 0.646 CB 1.713 49 residues pruned to eliminate duplicates Z: 36 52.335 2.444 1.002 0.719 0.914 0.657 CB 1.622 36 residues pruned to eliminate duplicates Z: 48 78.374 2.455 1.169 0.797 0.936 0.660 CB 1.768 48 residues pruned to eliminate duplicates Z: 48 76.470 2.460 1.194 0.744 0.979 0.638 CB 1.698 48 residues pruned to eliminate duplicates Z: 231 169.795 2.551 1.134 0.714 0.961 0.652 CB 1.763 299 residues pruned to eliminate duplicates Z: 46 65.710 2.356 1.038 0.700 1.000 0.800 CB 1.700 Z: 19 39.638 2.362 1.123 0.830 0.944 0.556 CB 1.484 22 residues pruned to eliminate duplicates Z: 18 44.580 2.348 1.257 0.877 1.000 0.765 CB 1.482 19 residues pruned to eliminate duplicates Z: 20 36.710 2.351 1.147 0.720 0.947 0.579 CB 1.444 20 residues pruned to eliminate duplicates Z: 49 77.430 2.453 1.103 0.785 0.958 0.750 CB 1.759 48 residues pruned to eliminate duplicates Z: 28 65.095 2.434 1.081 0.853 1.000 0.630 CA 1.828 28 residues pruned to eliminate duplicates Z: 49 81.347 2.422 1.264 0.785 0.979 0.667 CB 1.701 47 residues pruned to eliminate duplicates Z: 26 69.264 2.535 1.050 0.942 0.960 0.800 CA 1.926 26 residues pruned to eliminate duplicates Z: 227 173.072 2.570 1.186 0.706 0.960 0.633 CB 1.769 272 residues pruned to eliminate duplicates Z: 47 84.279 2.464 1.239 0.802 0.978 0.674 CB 1.769 Z: 25 85.171 2.578 1.346 0.939 1.000 0.708 CB 1.998 25 residues pruned to eliminate duplicates Z: 228 169.136 2.531 1.200 0.696 0.974 0.630 CB 1.732 275 residues pruned to eliminate duplicates Z: 232 181.566 2.551 1.235 0.716 0.974 0.602 CB 1.768 232 residues pruned to eliminate duplicates Z: 49 79.429 2.433 1.272 0.755 0.979 0.604 CB 1.688 Z: 26 69.523 2.525 1.169 0.910 0.920 0.680 CB 1.957 26 residues pruned to eliminate duplicates Z: 55 75.432 2.354 1.284 0.717 0.944 0.574 CB 1.662 49 residues pruned to eliminate duplicates Z: 24 74.216 2.611 1.212 0.927 0.957 0.565 CB 1.963 24 residues pruned to eliminate duplicates Z: 47 94.837 2.465 1.413 0.832 1.000 0.804 CB 1.764 55 residues pruned to eliminate duplicates Z: 23 77.568 2.655 1.260 0.945 0.955 0.591 CB 1.998 23 residues pruned to eliminate duplicates Z: 46 84.930 2.469 1.257 0.811 0.978 0.644 CB 1.772 46 residues pruned to eliminate duplicates Z: 79 109.221 2.569 1.221 0.738 0.974 0.654 CB 1.796 126 residues pruned to eliminate duplicates Z: 82 97.129 2.521 1.022 0.720 0.951 0.617 CB 1.825 82 residues pruned to eliminate duplicates Z: 228 178.058 2.577 1.180 0.712 0.974 0.621 CB 1.783 228 residues pruned to eliminate duplicates Z: 48 73.099 2.416 1.034 0.784 0.979 0.638 CB 1.726 Z: 26 70.049 2.533 1.089 0.925 0.960 0.720 CA 1.935 27 residues pruned to eliminate duplicates Z: 26 69.236 2.518 1.115 0.936 0.960 0.720 CA 1.886 26 residues pruned to eliminate duplicates Z: 47 77.322 2.486 1.247 0.774 0.978 0.543 CB 1.638 47 residues pruned to eliminate duplicates Z: 21 57.750 2.465 1.360 0.873 0.900 0.600 CA 1.796 21 residues pruned to eliminate duplicates Z: 25 88.544 2.617 1.471 0.939 0.958 0.583 CB 2.027 26 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 180 B: 48 C: 181 D: 44 CC for partial structure against native data = 45.70 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.814, Connect. = 0.769 for dens.mod. cycle 1 = 0.300, Contrast = 0.939, Connect. = 0.799 for dens.mod. cycle 2 = 0.300, Contrast = 1.144, Connect. = 0.822 for dens.mod. cycle 3 = 0.300, Contrast = 1.191, Connect. = 0.825 for dens.mod. cycle 4 = 0.300, Contrast = 1.228, Connect. = 0.827 for dens.mod. cycle 5 = 0.300, Contrast = 1.246, Connect. = 0.829 for dens.mod. cycle 6 = 0.300, Contrast = 1.262, Connect. = 0.831 for dens.mod. cycle 7 = 0.300, Contrast = 1.269, Connect. = 0.832 for dens.mod. cycle 8 = 0.300, Contrast = 1.276, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.279, Connect. = 0.833 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3071 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 609 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 27.653 2.479 0.714 0.898 0.889 0.889 CB 1.745 B: 27 58.868 2.457 1.017 0.896 0.885 0.577 CA 1.885 C: 11 38.589 2.418 1.160 0.899 1.000 0.900 CB 1.671 D: 21 69.861 2.579 1.248 0.887 1.000 0.850 CA 1.943 E: 28 62.125 2.478 1.031 0.845 0.963 0.778 CA 1.834 F: 19 59.028 2.513 1.099 0.909 1.000 0.778 CB 1.872 G: 32 68.772 2.495 1.197 0.926 0.935 0.742 CB 1.690 H: 26 68.114 2.500 1.113 0.921 0.960 0.480 CA 1.891 27 residues pruned to eliminate duplicates I: 21 63.461 2.592 1.142 0.889 1.000 0.750 CA 1.841 20 residues pruned to eliminate duplicates J: 22 55.008 2.510 1.145 0.844 0.905 0.762 CA 1.834 22 residues pruned to eliminate duplicates K: 12 37.951 2.364 1.073 0.877 1.000 0.909 CB 1.696 12 residues pruned to eliminate duplicates L: 21 46.356 2.553 1.089 0.834 0.850 0.700 CB 1.714 21 residues pruned to eliminate duplicates M: 25 79.809 2.590 1.261 0.949 0.958 0.625 CB 2.003 26 residues pruned to eliminate duplicates N: 11 35.503 2.373 1.042 0.904 1.000 1.000 CB 1.651 10 residues pruned to eliminate duplicates O: 18 44.227 2.418 0.992 0.923 0.941 0.941 CB 1.663 18 residues pruned to eliminate duplicates P: 24 70.622 2.586 0.992 0.944 1.000 0.783 CA 1.979 24 residues pruned to eliminate duplicates Q: 28 62.292 2.466 1.030 0.823 0.963 0.741 CA 1.879 28 residues pruned to eliminate duplicates R: 15 47.003 2.615 1.013 0.790 0.929 0.500 CB 1.992 15 residues pruned to eliminate duplicates S: 26 64.498 2.518 0.964 0.879 1.000 0.640 CB 1.892 26 residues pruned to eliminate duplicates T: 31 65.116 2.525 1.043 0.926 0.967 0.667 CB 1.672 32 residues pruned to eliminate duplicates U: 12 33.619 2.354 0.942 0.902 1.000 0.909 CB 1.581 12 residues pruned to eliminate duplicates V: 32 56.019 2.422 0.858 0.893 0.968 0.871 CB 1.659 W: 24 62.086 2.553 1.159 0.914 0.913 0.783 CB 1.819 X: 25 72.625 2.549 1.309 0.940 0.917 0.542 CB 1.908 24 residues pruned to eliminate duplicates Y: 15 46.650 2.580 0.881 0.934 0.929 0.857 CB 1.929 15 residues pruned to eliminate duplicates Z: 19 53.923 2.450 1.138 0.902 1.000 0.889 CB 1.731 Z: 25 78.287 2.598 1.209 0.948 0.958 0.667 CA 2.007 25 residues pruned to eliminate duplicates Z: 22 55.361 2.522 0.949 0.892 1.000 0.857 CA 1.766 Z: 26 72.858 2.520 1.205 0.927 0.960 0.640 CA 1.914 26 residues pruned to eliminate duplicates Z: 22 57.398 2.526 1.127 0.863 0.952 0.857 CA 1.796 22 residues pruned to eliminate duplicates Z: 18 64.004 2.519 1.559 0.900 0.941 0.824 CB 1.828 19 residues pruned to eliminate duplicates Z: 19 64.002 2.417 1.595 0.902 0.944 0.778 CB 1.817 19 residues pruned to eliminate duplicates Z: 17 46.188 2.419 0.970 0.950 1.000 0.875 CB 1.671 17 residues pruned to eliminate duplicates Z: 31 59.273 2.474 0.828 0.933 0.967 0.867 CB 1.728 32 residues pruned to eliminate duplicates Z: 21 45.655 2.571 0.768 0.838 0.950 0.600 CB 1.768 21 residues pruned to eliminate duplicates Z: 29 55.905 2.384 1.004 0.912 0.964 0.786 CB 1.624 Z: 26 57.405 2.410 1.237 0.931 0.920 0.680 CB 1.617 26 residues pruned to eliminate duplicates Z: 26 71.897 2.505 1.277 0.911 0.960 0.640 CB 1.862 25 residues pruned to eliminate duplicates Z: 11 42.021 2.458 1.051 0.880 1.000 0.800 CB 1.910 11 residues pruned to eliminate duplicates Z: 31 59.823 2.454 0.799 0.936 1.000 0.933 CB 1.723 31 residues pruned to eliminate duplicates Z: 28 64.968 2.527 1.103 0.935 0.963 0.778 CB 1.704 29 residues pruned to eliminate duplicates Z: 31 68.853 2.533 1.180 0.953 0.933 0.700 CB 1.679 31 residues pruned to eliminate duplicates Z: 19 60.773 2.476 1.375 0.935 1.000 0.611 CB 1.698 20 residues pruned to eliminate duplicates Z: 18 55.711 2.464 1.172 0.900 1.000 0.824 CB 1.804 18 residues pruned to eliminate duplicates Z: 22 52.263 2.447 1.273 0.814 0.952 0.619 CB 1.639 22 residues pruned to eliminate duplicates Z: 17 56.174 2.585 1.510 0.923 0.875 0.625 CB 1.738 17 residues pruned to eliminate duplicates Z: 19 47.196 2.405 0.813 0.925 1.000 0.889 CB 1.790 19 residues pruned to eliminate duplicates Z: 23 73.226 2.609 1.260 0.952 0.955 0.727 CB 1.911 23 residues pruned to eliminate duplicates Z: 25 85.678 2.562 1.485 0.942 1.000 0.625 CB 1.905 26 residues pruned to eliminate duplicates Z: 26 74.056 2.518 1.354 0.930 0.920 0.640 CB 1.900 26 residues pruned to eliminate duplicates Z: 10 32.821 2.654 0.523 0.910 1.000 1.000 CB 1.921 10 residues pruned to eliminate duplicates Z: 19 70.930 2.451 1.590 0.897 1.000 0.722 CB 1.885 18 residues pruned to eliminate duplicates Z: 32 66.400 2.472 1.304 0.914 0.968 0.806 CB 1.530 31 residues pruned to eliminate duplicates Z: 28 61.944 2.535 1.044 0.934 0.963 0.704 CB 1.667 29 residues pruned to eliminate duplicates Z: 26 43.310 2.467 0.886 0.798 0.920 0.600 CB 1.559 Z: 69 83.639 2.540 1.092 0.626 0.971 0.647 CB 1.747 44 residues pruned to eliminate duplicates Z: 19 63.644 2.505 1.323 0.917 1.000 0.778 CB 1.819 19 residues pruned to eliminate duplicates Z: 29 53.189 2.421 1.037 0.751 0.929 0.714 CA 1.754 27 residues pruned to eliminate duplicates Z: 25 75.074 2.554 1.279 0.928 0.958 0.542 CB 1.924 25 residues pruned to eliminate duplicates Z: 22 61.471 2.544 1.059 0.891 1.000 0.667 CA 1.841 22 residues pruned to eliminate duplicates Z: 27 67.019 2.487 1.234 0.907 0.885 0.577 CA 1.900 27 residues pruned to eliminate duplicates Z: 17 51.533 2.528 1.064 0.936 1.000 0.938 CB 1.719 17 residues pruned to eliminate duplicates Z: 25 93.230 2.600 1.482 0.954 1.000 0.583 CA 2.028 25 residues pruned to eliminate duplicates Z: 18 61.991 2.599 1.191 0.918 1.000 0.765 CB 1.862 18 residues pruned to eliminate duplicates Z: 30 63.354 2.537 0.925 0.933 0.966 0.931 CB 1.741 30 residues pruned to eliminate duplicates Z: 32 65.202 2.484 0.934 0.947 1.000 0.839 CB 1.685 32 residues pruned to eliminate duplicates Z: 32 70.862 2.487 1.228 0.934 0.968 0.581 CB 1.655 31 residues pruned to eliminate duplicates Z: 27 70.003 2.517 1.275 0.918 1.000 0.615 CB 1.691 28 residues pruned to eliminate duplicates Z: 17 54.408 2.547 1.480 0.894 1.000 0.688 CB 1.544 17 residues pruned to eliminate duplicates Z: 33 53.180 2.369 0.846 0.892 0.969 0.812 CB 1.595 33 residues pruned to eliminate duplicates Z: 12 35.502 2.611 0.875 0.910 0.909 0.818 CB 1.706 12 residues pruned to eliminate duplicates Z: 12 34.157 2.404 0.917 0.878 1.000 0.909 CA 1.623 12 residues pruned to eliminate duplicates Z: 19 53.048 2.423 1.154 0.932 1.000 0.889 CB 1.672 19 residues pruned to eliminate duplicates Z: 12 25.282 2.359 0.521 0.804 1.000 1.000 CA 1.629 Z: 22 30.642 2.419 0.926 0.468 0.810 0.429 CB 1.831 34 residues pruned to eliminate duplicates Z: 26 62.962 2.499 1.152 0.954 0.920 0.880 CB 1.751 26 residues pruned to eliminate duplicates Z: 27 68.306 2.467 1.117 0.910 1.000 0.846 CA 1.818 27 residues pruned to eliminate duplicates Z: 17 45.013 2.469 0.859 0.892 0.938 0.688 CA 1.879 17 residues pruned to eliminate duplicates Z: 30 54.432 2.489 0.803 0.928 1.000 0.897 CB 1.578 30 residues pruned to eliminate duplicates Z: 20 27.238 2.209 0.750 0.786 0.895 0.579 CB 1.404 Z: 22 45.733 2.459 0.883 0.904 0.952 0.714 CB 1.611 22 residues pruned to eliminate duplicates Z: 28 58.186 2.469 0.956 0.863 0.926 0.741 CA 1.837 28 residues pruned to eliminate duplicates Z: 27 47.624 2.467 0.985 0.877 0.846 0.577 CB 1.637 28 residues pruned to eliminate duplicates Z: 19 61.397 2.497 1.239 0.889 1.000 0.833 CB 1.864 19 residues pruned to eliminate duplicates Z: 28 66.732 2.495 1.087 0.943 1.000 0.704 CB 1.709 28 residues pruned to eliminate duplicates Z: 18 37.663 2.374 0.706 0.893 0.941 0.941 CB 1.721 18 residues pruned to eliminate duplicates Z: 27 80.507 2.579 1.470 0.938 0.962 0.577 CB 1.793 27 residues pruned to eliminate duplicates Z: 18 33.080 2.332 0.822 0.849 0.941 0.706 CB 1.486 20 residues pruned to eliminate duplicates Z: 27 66.190 2.543 0.957 0.934 1.000 0.769 CB 1.819 27 residues pruned to eliminate duplicates Z: 26 57.339 2.468 0.834 0.931 0.960 0.920 CB 1.843 26 residues pruned to eliminate duplicates Z: 22 60.579 2.505 1.166 0.884 0.952 0.810 CB 1.849 22 residues pruned to eliminate duplicates Z: 22 54.851 2.493 1.185 0.847 0.952 0.714 CB 1.713 22 residues pruned to eliminate duplicates Z: 10 29.247 2.569 0.641 0.779 1.000 0.889 CB 1.808 Z: 19 63.151 2.478 1.333 0.924 1.000 0.778 CB 1.808 19 residues pruned to eliminate duplicates Z: 30 51.370 2.373 0.850 0.901 0.966 0.897 CB 1.606 30 residues pruned to eliminate duplicates Z: 32 72.974 2.479 1.596 0.917 0.903 0.387 CB 1.591 32 residues pruned to eliminate duplicates Z: 22 54.964 2.540 0.950 0.880 0.952 0.762 CA 1.842 22 residues pruned to eliminate duplicates Z: 28 60.857 2.505 1.116 0.905 0.963 0.556 CB 1.633 28 residues pruned to eliminate duplicates Z: 18 47.742 2.578 0.836 0.927 1.000 0.882 CB 1.714 18 residues pruned to eliminate duplicates Z: 25 58.549 2.423 1.281 0.896 0.875 0.625 CB 1.771 25 residues pruned to eliminate duplicates Z: 33 66.674 2.423 1.405 0.884 0.938 0.312 CB 1.559 33 residues pruned to eliminate duplicates Z: 18 48.160 2.353 1.163 0.824 0.941 0.706 CB 1.843 17 residues pruned to eliminate duplicates Z: 33 71.489 2.438 1.430 0.943 0.969 0.625 CB 1.526 33 residues pruned to eliminate duplicates Z: 31 70.000 2.527 1.130 0.948 0.967 0.800 CB 1.697 31 residues pruned to eliminate duplicates Z: 25 68.128 2.602 0.977 0.913 0.958 0.875 CA 1.997 25 residues pruned to eliminate duplicates Z: 26 56.563 2.511 0.859 0.857 0.960 0.840 CB 1.860 26 residues pruned to eliminate duplicates Z: 26 71.799 2.521 1.234 0.942 0.960 0.880 CA 1.842 26 residues pruned to eliminate duplicates Z: 27 52.567 2.517 0.968 0.812 0.962 0.654 CB 1.650 27 residues pruned to eliminate duplicates Z: 28 45.128 2.350 0.974 0.770 0.889 0.741 CB 1.658 28 residues pruned to eliminate duplicates Z: 27 68.725 2.441 1.230 0.936 0.962 0.654 CB 1.793 Z: 31 62.118 2.478 0.956 0.929 1.000 0.933 CB 1.637 31 residues pruned to eliminate duplicates Z: 28 66.616 2.437 1.106 0.878 1.000 0.778 CB 1.813 28 residues pruned to eliminate duplicates Z: 28 59.642 2.386 0.998 0.920 1.000 0.519 CB 1.696 28 residues pruned to eliminate duplicates Z: 17 50.371 2.480 1.009 0.907 1.000 0.875 CA 1.796 17 residues pruned to eliminate duplicates Z: 27 72.277 2.553 1.237 0.936 1.000 0.731 CB 1.728 27 residues pruned to eliminate duplicates Z: 19 36.373 2.332 0.996 0.820 0.944 0.389 CB 1.477 18 residues pruned to eliminate duplicates Z: 19 49.978 2.430 1.042 0.930 1.000 0.722 CB 1.660 19 residues pruned to eliminate duplicates Z: 22 53.325 2.453 1.166 0.820 1.000 0.619 CB 1.659 22 residues pruned to eliminate duplicates Z: 32 76.401 2.502 1.398 0.923 0.968 0.548 CB 1.661 32 residues pruned to eliminate duplicates Z: 28 55.935 2.399 1.098 0.810 0.926 0.667 CB 1.763 28 residues pruned to eliminate duplicates Z: 27 53.527 2.449 0.889 0.848 0.962 0.769 CA 1.751 27 residues pruned to eliminate duplicates Z: 18 65.176 2.536 1.517 0.911 1.000 0.529 CB 1.755 18 residues pruned to eliminate duplicates Z: 32 68.017 2.363 1.445 0.903 1.000 0.387 CB 1.507 32 residues pruned to eliminate duplicates Z: 32 72.295 2.467 1.424 0.921 0.968 0.484 CB 1.579 32 residues pruned to eliminate duplicates Z: 26 67.178 2.533 1.153 0.896 0.920 0.840 CA 1.918 26 residues pruned to eliminate duplicates Z: 27 50.505 2.369 1.094 0.932 0.846 0.500 CB 1.647 27 residues pruned to eliminate duplicates Z: 26 82.252 2.539 1.477 0.920 0.960 0.680 CA 1.919 26 residues pruned to eliminate duplicates Z: 76 69.875 2.506 0.969 0.559 0.880 0.547 CB 1.754 65 residues pruned to eliminate duplicates Z: 31 65.140 2.546 1.018 0.928 0.967 0.867 CB 1.676 31 residues pruned to eliminate duplicates Z: 33 58.116 2.426 0.950 0.895 0.969 0.812 CB 1.607 33 residues pruned to eliminate duplicates Z: 28 60.967 2.454 1.046 0.863 0.963 0.815 CB 1.781 28 residues pruned to eliminate duplicates Z: 32 74.779 2.496 1.533 0.951 0.935 0.581 CB 1.565 32 residues pruned to eliminate duplicates Z: 25 73.506 2.549 1.220 0.912 1.000 0.667 CB 1.879 25 residues pruned to eliminate duplicates Z: 30 77.303 2.570 1.435 0.940 1.000 0.586 CB 1.593 31 residues pruned to eliminate duplicates Z: 19 63.285 2.508 1.345 0.923 1.000 0.611 CB 1.782 19 residues pruned to eliminate duplicates Z: 33 74.487 2.437 1.511 0.885 0.969 0.531 CB 1.604 33 residues pruned to eliminate duplicates Z: 28 59.160 2.392 0.859 0.935 1.000 0.815 CB 1.785 28 residues pruned to eliminate duplicates Z: 27 62.505 2.551 1.096 0.948 0.923 0.692 CB 1.715 27 residues pruned to eliminate duplicates Z: 26 75.411 2.517 1.266 0.937 0.960 0.520 CA 1.917 26 residues pruned to eliminate duplicates Z: 21 53.323 2.621 0.985 0.943 0.950 0.950 CB 1.671 21 residues pruned to eliminate duplicates Z: 28 53.554 2.477 0.867 0.871 0.889 0.519 CB 1.829 28 residues pruned to eliminate duplicates Z: 21 55.460 2.533 1.002 0.883 1.000 0.700 CB 1.768 21 residues pruned to eliminate duplicates Z: 30 75.935 2.559 1.372 0.950 1.000 0.517 CB 1.603 30 residues pruned to eliminate duplicates Z: 32 77.181 2.450 1.544 0.938 1.000 0.484 CB 1.547 32 residues pruned to eliminate duplicates Z: 22 60.727 2.508 1.152 0.871 1.000 0.762 CA 1.790 22 residues pruned to eliminate duplicates Z: 13 44.501 2.384 1.765 0.920 0.833 0.500 CB 1.646 13 residues pruned to eliminate duplicates Z: 28 64.014 2.557 1.357 0.956 0.926 0.259 CB 1.516 28 residues pruned to eliminate duplicates Z: 26 59.524 2.430 1.040 0.926 0.960 0.880 CA 1.754 26 residues pruned to eliminate duplicates Z: 181 142.767 2.518 1.082 0.693 0.972 0.711 CB 1.750 147 residues pruned to eliminate duplicates Z: 10 28.392 2.490 0.481 0.887 1.000 1.000 CA 1.850 10 residues pruned to eliminate duplicates Z: 141 128.825 2.572 1.051 0.704 0.979 0.729 CB 1.753 132 residues pruned to eliminate duplicates Z: 27 70.829 2.451 1.333 0.891 0.962 0.423 CB 1.816 27 residues pruned to eliminate duplicates Z: 25 84.619 2.548 1.560 0.932 0.958 0.792 CB 1.930 25 residues pruned to eliminate duplicates Z: 28 53.135 2.438 1.058 0.781 0.889 0.704 CB 1.790 28 residues pruned to eliminate duplicates Z: 7 12.095 1.932 0.414 0.883 1.000 0.667 CA 1.307 7 residues pruned to eliminate duplicates Z: 28 57.520 2.390 0.851 0.913 1.000 0.778 CB 1.771 28 residues pruned to eliminate duplicates Z: 22 58.023 2.455 1.034 0.902 1.000 0.810 CA 1.809 22 residues pruned to eliminate duplicates Z: 17 42.825 2.527 1.031 0.778 0.938 0.562 CB 1.741 17 residues pruned to eliminate duplicates Z: 25 82.771 2.622 1.290 0.938 0.958 0.792 CA 2.042 25 residues pruned to eliminate duplicates Z: 26 85.574 2.477 1.544 0.939 1.000 0.760 CB 1.888 26 residues pruned to eliminate duplicates Z: 28 51.860 2.458 0.928 0.820 0.926 0.407 CB 1.722 28 residues pruned to eliminate duplicates Z: 25 66.299 2.405 1.329 0.947 0.917 0.500 CB 1.822 25 residues pruned to eliminate duplicates Z: 32 75.935 2.489 1.506 0.890 0.968 0.484 CB 1.626 32 residues pruned to eliminate duplicates Z: 32 74.526 2.502 1.394 0.905 0.968 0.484 CB 1.644 32 residues pruned to eliminate duplicates Z: 26 65.817 2.520 0.895 0.913 1.000 0.840 CA 1.950 26 residues pruned to eliminate duplicates Z: 20 44.158 2.424 0.899 0.852 0.947 0.737 CB 1.719 20 residues pruned to eliminate duplicates Z: 180 142.685 2.517 1.130 0.691 0.966 0.665 CB 1.727 93 residues pruned to eliminate duplicates Z: 13 29.210 2.212 0.950 0.828 1.000 0.667 CB 1.472 Z: 22 61.565 2.529 1.118 0.900 1.000 0.857 CB 1.791 22 residues pruned to eliminate duplicates Z: 25 45.069 2.453 0.859 0.836 0.833 0.542 CB 1.812 25 residues pruned to eliminate duplicates Z: 21 51.390 2.576 0.943 0.834 0.950 0.700 CA 1.812 21 residues pruned to eliminate duplicates Z: 10 29.461 2.578 0.597 0.814 1.000 0.778 CB 1.815 10 residues pruned to eliminate duplicates Z: 13 47.212 2.616 0.894 0.933 1.000 0.833 CB 1.918 13 residues pruned to eliminate duplicates Z: 18 30.637 2.203 0.757 0.853 0.941 0.882 CB 1.507 18 residues pruned to eliminate duplicates Z: 31 51.168 2.467 0.604 0.948 0.967 0.933 CB 1.686 31 residues pruned to eliminate duplicates Z: 11 33.428 2.468 0.914 0.798 1.000 0.700 CA 1.725 24 residues pruned to eliminate duplicates Z: 14 47.221 2.417 1.047 0.941 1.000 0.769 CB 1.837 14 residues pruned to eliminate duplicates Z: 28 55.053 2.444 0.987 0.845 0.889 0.556 CB 1.825 28 residues pruned to eliminate duplicates Z: 27 69.009 2.536 1.057 0.937 1.000 0.808 CB 1.805 27 residues pruned to eliminate duplicates Z: 19 31.350 2.226 0.834 0.882 0.944 0.778 CB 1.387 Z: 28 65.952 2.384 1.034 0.929 1.000 0.778 CA 1.832 28 residues pruned to eliminate duplicates Z: 7 10.919 1.819 1.074 0.840 0.667 0.667 N 1.322 7 residues pruned to eliminate duplicates Z: 26 68.295 2.450 1.115 0.936 1.000 0.840 CB 1.835 26 residues pruned to eliminate duplicates Z: 13 35.526 2.357 0.955 0.882 1.000 0.833 CA 1.610 13 residues pruned to eliminate duplicates Z: 26 58.123 2.482 1.021 0.828 0.920 0.680 CB 1.896 26 residues pruned to eliminate duplicates Z: 26 60.096 2.494 1.057 0.905 0.920 0.840 CA 1.813 26 residues pruned to eliminate duplicates Z: 16 43.771 2.555 0.763 0.933 0.933 0.800 CB 1.876 16 residues pruned to eliminate duplicates Z: 25 58.231 2.547 1.053 0.942 0.958 0.875 CB 1.645 25 residues pruned to eliminate duplicates Z: 11 29.098 2.417 0.591 0.908 1.000 0.900 CB 1.700 11 residues pruned to eliminate duplicates Z: 28 65.706 2.377 1.189 0.926 0.963 0.741 CB 1.769 28 residues pruned to eliminate duplicates Z: 18 37.424 2.338 0.945 0.874 1.000 0.765 CB 1.453 18 residues pruned to eliminate duplicates Z: 25 59.712 2.512 1.310 0.933 0.792 0.625 CB 1.851 25 residues pruned to eliminate duplicates Z: 29 52.865 2.379 0.806 0.847 0.964 0.857 CB 1.789 29 residues pruned to eliminate duplicates Z: 19 32.325 2.272 0.771 0.795 1.000 0.722 CB 1.461 19 residues pruned to eliminate duplicates Z: 22 56.324 2.485 1.061 0.890 1.000 0.571 CB 1.726 22 residues pruned to eliminate duplicates Z: 180 135.011 2.543 1.006 0.678 0.961 0.648 CB 1.748 180 residues pruned to eliminate duplicates Z: 7 11.278 1.952 0.424 0.759 1.000 0.667 CA 1.316 7 residues pruned to eliminate duplicates Z: 26 47.702 2.492 0.827 0.852 0.880 0.600 CB 1.761 26 residues pruned to eliminate duplicates Z: 28 58.566 2.394 0.897 0.923 0.963 0.778 CB 1.812 28 residues pruned to eliminate duplicates Z: 27 47.598 2.428 1.038 0.788 0.808 0.731 CA 1.813 27 residues pruned to eliminate duplicates Z: 29 58.289 2.419 1.023 0.813 0.964 0.607 CB 1.778 29 residues pruned to eliminate duplicates Z: 22 50.774 2.487 0.903 0.892 0.952 0.762 CA 1.765 22 residues pruned to eliminate duplicates Z: 25 64.448 2.573 0.884 0.926 0.958 0.833 CA 1.986 25 residues pruned to eliminate duplicates Z: 102 99.402 2.563 0.955 0.633 0.960 0.653 CB 1.814 102 residues pruned to eliminate duplicates Z: 11 27.107 2.420 0.706 0.765 0.900 0.500 CB 1.824 11 residues pruned to eliminate duplicates Z: 28 60.456 2.396 1.130 0.931 0.963 0.630 CB 1.654 28 residues pruned to eliminate duplicates Z: 28 47.474 2.339 1.061 0.892 0.815 0.593 CB 1.672 28 residues pruned to eliminate duplicates Z: 20 59.053 2.470 1.261 0.908 0.947 0.368 CB 1.819 20 residues pruned to eliminate duplicates Z: 22 50.750 2.492 0.976 0.863 0.952 0.952 CA 1.733 22 residues pruned to eliminate duplicates Z: 130 137.358 2.553 1.251 0.742 0.969 0.713 CB 1.749 37 residues pruned to eliminate duplicates Z: 6 7.688 2.091 0.265 0.597 0.800 0.600 CB 1.481 6 residues pruned to eliminate duplicates Z: 20 33.437 2.237 1.008 0.810 0.895 0.632 CB 1.456 20 residues pruned to eliminate duplicates Z: 28 57.267 2.431 0.925 0.860 0.926 0.630 CB 1.870 28 residues pruned to eliminate duplicates Z: 24 62.222 2.530 1.357 0.956 0.870 0.565 CB 1.719 24 residues pruned to eliminate duplicates Z: 31 76.364 2.521 1.323 0.946 0.967 0.800 CB 1.703 31 residues pruned to eliminate duplicates Z: 11 53.307 2.425 1.655 0.907 1.000 0.700 CB 1.861 11 residues pruned to eliminate duplicates Z: 25 61.519 2.531 0.841 0.948 1.000 0.958 CA 1.861 25 residues pruned to eliminate duplicates Z: 22 57.216 2.521 1.049 0.888 1.000 0.857 CB 1.741 22 residues pruned to eliminate duplicates Z: 27 71.453 2.538 1.406 0.924 1.000 0.769 CB 1.612 27 residues pruned to eliminate duplicates Z: 6 8.565 1.681 0.625 0.685 1.000 0.800 CA 1.184 6 residues pruned to eliminate duplicates Z: 16 33.734 2.529 0.406 0.916 0.933 0.933 CA 1.854 16 residues pruned to eliminate duplicates Z: 26 55.362 2.442 0.919 0.895 0.920 0.800 CA 1.841 26 residues pruned to eliminate duplicates Z: 26 62.695 2.520 1.048 0.893 0.880 0.760 CA 1.983 26 residues pruned to eliminate duplicates Z: 19 40.004 2.287 0.957 0.876 1.000 0.722 CB 1.531 18 residues pruned to eliminate duplicates Z: 32 47.336 2.416 0.855 0.920 0.903 0.613 CB 1.479 32 residues pruned to eliminate duplicates Z: 15 28.988 2.399 0.534 0.908 0.929 0.929 CB 1.610 15 residues pruned to eliminate duplicates Z: 27 71.565 2.504 1.324 0.922 0.962 0.615 CB 1.764 27 residues pruned to eliminate duplicates Z: 11 40.047 2.404 1.020 0.908 1.000 1.000 CB 1.852 11 residues pruned to eliminate duplicates Z: 16 51.594 2.423 1.070 0.954 1.000 0.867 CA 1.827 16 residues pruned to eliminate duplicates Z: 30 53.096 2.392 0.984 0.722 0.966 0.586 CB 1.761 30 residues pruned to eliminate duplicates Z: 18 66.413 2.527 1.487 0.919 1.000 0.824 CB 1.807 18 residues pruned to eliminate duplicates Z: 32 67.204 2.456 1.605 0.900 0.903 0.387 CB 1.492 32 residues pruned to eliminate duplicates Z: 22 56.045 2.467 1.034 0.887 1.000 0.714 CB 1.758 22 residues pruned to eliminate duplicates Z: 22 48.328 2.450 0.832 0.847 1.000 0.714 CB 1.744 22 residues pruned to eliminate duplicates Z: 28 61.749 2.447 1.034 0.851 0.963 0.741 CB 1.836 28 residues pruned to eliminate duplicates Z: 14 24.081 2.320 0.413 0.880 0.846 0.538 CB 1.745 14 residues pruned to eliminate duplicates Z: 22 60.942 2.523 1.184 0.892 1.000 0.762 CB 1.733 22 residues pruned to eliminate duplicates Z: 19 34.056 2.224 1.170 0.821 0.889 0.333 CB 1.417 19 residues pruned to eliminate duplicates Z: 11 13.056 2.114 0.479 0.825 0.700 0.700 CB 1.424 11 residues pruned to eliminate duplicates Z: 27 63.275 2.518 0.980 0.850 0.962 0.692 CB 1.917 27 residues pruned to eliminate duplicates Z: 26 50.730 2.474 1.003 0.862 0.880 0.440 CB 1.708 26 residues pruned to eliminate duplicates Z: 19 31.012 2.331 0.866 0.809 0.889 0.611 CB 1.444 19 residues pruned to eliminate duplicates Z: 10 34.240 2.574 0.798 0.786 1.000 0.778 CB 1.917 10 residues pruned to eliminate duplicates Z: 19 35.670 2.287 1.121 0.843 0.944 0.500 CB 1.367 20 residues pruned to eliminate duplicates Z: 46 63.092 2.515 0.932 0.674 0.956 0.733 CB 1.725 46 residues pruned to eliminate duplicates Z: 182 143.676 2.538 1.128 0.684 0.967 0.564 CB 1.727 97 residues pruned to eliminate duplicates Z: 22 57.997 2.541 1.097 0.860 0.952 0.762 CB 1.834 22 residues pruned to eliminate duplicates Z: 28 52.090 2.504 0.817 0.928 0.926 0.778 CB 1.667 28 residues pruned to eliminate duplicates Z: 26 53.434 2.396 0.781 0.890 1.000 0.880 CA 1.801 26 residues pruned to eliminate duplicates Z: 26 80.046 2.489 1.480 0.942 0.960 0.560 CB 1.874 26 residues pruned to eliminate duplicates Z: 6 7.959 2.090 0.417 0.648 0.800 0.600 CA 1.308 6 residues pruned to eliminate duplicates Z: 27 71.199 2.428 1.205 0.942 1.000 0.577 CB 1.810 27 residues pruned to eliminate duplicates Z: 180 139.807 2.520 1.106 0.699 0.944 0.631 CB 1.739 180 residues pruned to eliminate duplicates Z: 27 66.556 2.531 1.281 0.913 0.923 0.692 CB 1.733 27 residues pruned to eliminate duplicates Z: 19 19.671 2.105 0.756 0.529 0.778 0.500 CB 1.568 19 residues pruned to eliminate duplicates Z: 180 140.123 2.528 1.018 0.707 0.961 0.704 CB 1.769 179 residues pruned to eliminate duplicates Z: 24 72.958 2.620 1.271 0.918 0.913 0.696 CB 1.974 24 residues pruned to eliminate duplicates Z: 185 142.861 2.500 1.147 0.707 0.962 0.582 CB 1.690 143 residues pruned to eliminate duplicates Z: 19 31.631 2.253 0.531 0.883 1.000 0.889 CB 1.563 19 residues pruned to eliminate duplicates Z: 26 61.860 2.446 0.939 0.926 1.000 0.920 CA 1.830 26 residues pruned to eliminate duplicates Z: 181 130.846 2.518 1.027 0.680 0.933 0.683 CB 1.735 118 residues pruned to eliminate duplicates Z: 16 51.216 2.526 0.972 0.950 0.933 0.733 CB 1.962 16 residues pruned to eliminate duplicates Z: 11 30.794 2.356 0.978 0.830 1.000 0.700 CB 1.571 11 residues pruned to eliminate duplicates Z: 25 69.524 2.435 1.123 0.960 1.000 0.875 CA 1.881 25 residues pruned to eliminate duplicates Z: 28 51.702 2.420 0.944 0.815 0.889 0.556 CB 1.810 28 residues pruned to eliminate duplicates Z: 25 88.595 2.595 1.526 0.920 0.958 0.542 CB 2.027 25 residues pruned to eliminate duplicates Z: 7 10.185 1.895 0.467 0.852 1.000 0.833 CB 1.107 7 residues pruned to eliminate duplicates Z: 24 84.836 2.551 1.696 0.965 0.957 0.522 CB 1.835 24 residues pruned to eliminate duplicates Z: 26 63.328 2.545 0.927 0.953 1.000 0.920 CB 1.777 26 residues pruned to eliminate duplicates Z: 11 27.854 2.384 0.989 0.793 0.900 0.800 CB 1.597 11 residues pruned to eliminate duplicates Z: 19 32.279 2.187 1.177 0.774 0.889 0.333 CB 1.412 19 residues pruned to eliminate duplicates Z: 15 42.321 2.414 0.751 0.919 1.000 0.929 CA 1.886 15 residues pruned to eliminate duplicates Z: 20 28.632 2.296 0.600 0.767 0.895 0.526 CB 1.577 20 residues pruned to eliminate duplicates Z: 220 156.673 2.510 1.152 0.685 0.959 0.539 CB 1.725 264 residues pruned to eliminate duplicates Z: 17 33.798 2.379 0.792 0.878 1.000 0.562 CB 1.439 17 residues pruned to eliminate duplicates Z: 19 30.705 2.062 0.938 0.733 0.944 0.722 CB 1.555 19 residues pruned to eliminate duplicates Z: 185 140.062 2.506 1.130 0.712 0.935 0.620 CB 1.708 185 residues pruned to eliminate duplicates Z: 28 61.847 2.482 1.313 0.931 0.963 0.556 CB 1.504 28 residues pruned to eliminate duplicates Z: 22 60.828 2.523 1.137 0.878 1.000 0.762 CB 1.786 22 residues pruned to eliminate duplicates Z: 26 60.667 2.472 0.910 0.914 1.000 0.920 CA 1.817 Z: 31 83.569 2.520 1.549 0.932 0.967 0.633 CB 1.716 31 residues pruned to eliminate duplicates Z: 28 56.583 2.373 1.049 0.932 0.926 0.852 CB 1.690 28 residues pruned to eliminate duplicates Z: 26 49.110 2.335 1.284 0.911 0.760 0.320 CB 1.717 26 residues pruned to eliminate duplicates Z: 64 73.773 2.558 0.895 0.657 0.937 0.556 CB 1.770 64 residues pruned to eliminate duplicates Z: 15 40.744 2.423 0.968 0.939 0.857 0.571 CB 1.851 15 residues pruned to eliminate duplicates Z: 18 40.638 2.372 1.025 0.872 1.000 0.706 CB 1.495 18 residues pruned to eliminate duplicates Z: 25 76.647 2.557 1.386 0.942 0.958 0.625 CB 1.855 25 residues pruned to eliminate duplicates Z: 8 10.642 1.898 0.521 0.598 1.000 0.286 CB 1.269 8 residues pruned to eliminate duplicates Z: 145 124.586 2.513 1.011 0.699 0.979 0.701 CB 1.750 145 residues pruned to eliminate duplicates Z: 217 156.303 2.560 1.022 0.730 0.940 0.657 CB 1.776 172 residues pruned to eliminate duplicates Z: 26 59.382 2.527 1.034 0.854 0.960 0.760 CB 1.778 26 residues pruned to eliminate duplicates Z: 22 49.688 2.509 0.776 0.877 1.000 0.857 CA 1.767 22 residues pruned to eliminate duplicates Z: 27 63.415 2.479 0.981 0.877 1.000 0.846 CB 1.839 27 residues pruned to eliminate duplicates Z: 23 45.081 2.493 0.601 0.941 1.000 0.955 CB 1.671 23 residues pruned to eliminate duplicates Z: 6 6.601 2.023 0.019 0.631 1.000 0.800 CB 1.266 Z: 24 62.322 2.571 1.057 0.961 1.000 1.000 CB 1.681 24 residues pruned to eliminate duplicates Z: 28 70.140 2.549 1.198 0.950 1.000 0.815 CB 1.662 28 residues pruned to eliminate duplicates Z: 29 61.631 2.410 1.249 0.806 0.929 0.679 CB 1.773 29 residues pruned to eliminate duplicates Z: 10 34.032 2.494 1.096 0.848 0.889 0.667 CB 1.812 10 residues pruned to eliminate duplicates Z: 25 58.123 2.448 0.976 0.938 0.958 0.833 CA 1.779 25 residues pruned to eliminate duplicates Z: 22 56.391 2.486 1.006 0.894 0.952 0.762 CB 1.859 22 residues pruned to eliminate duplicates Z: 6 2.322 1.636 0.507 0.376 0.600 0.600 CB 0.802 Z: 31 64.690 2.537 1.006 0.946 0.967 0.767 CB 1.661 31 residues pruned to eliminate duplicates Z: 123 111.591 2.529 0.999 0.664 0.959 0.689 CB 1.791 69 residues pruned to eliminate duplicates Z: 11 28.618 2.230 0.728 0.854 1.000 0.800 CA 1.734 11 residues pruned to eliminate duplicates Z: 26 58.334 2.426 1.007 0.912 0.960 0.760 CB 1.767 26 residues pruned to eliminate duplicates Z: 27 59.363 2.425 0.951 0.927 0.923 0.846 CB 1.867 27 residues pruned to eliminate duplicates Z: 14 42.985 2.384 1.344 0.919 0.923 0.538 CB 1.629 14 residues pruned to eliminate duplicates Z: 31 65.524 2.481 1.471 0.927 0.933 0.300 CB 1.465 31 residues pruned to eliminate duplicates Z: 9 29.777 2.465 0.717 0.890 1.000 0.750 CB 1.789 9 residues pruned to eliminate duplicates Z: 6 6.325 1.748 0.319 0.686 0.800 0.800 CB 1.293 Z: 27 61.097 2.439 1.021 0.931 0.923 0.577 CB 1.841 27 residues pruned to eliminate duplicates Z: 34 41.541 2.352 0.550 0.855 0.879 0.788 CB 1.666 34 residues pruned to eliminate duplicates Z: 6 7.808 2.136 0.092 0.635 0.800 0.600 CB 1.648 Z: 42 32.621 2.140 1.067 0.471 0.854 0.537 CB 1.389 42 residues pruned to eliminate duplicates Z: 11 23.121 2.365 0.622 0.899 0.900 0.800 CB 1.514 11 residues pruned to eliminate duplicates Z: 28 50.250 2.360 0.887 0.905 0.926 0.704 CB 1.670 28 residues pruned to eliminate duplicates Z: 17 29.162 2.403 0.521 0.567 1.000 0.500 CB 1.869 17 residues pruned to eliminate duplicates Z: 187 153.804 2.547 1.176 0.692 0.962 0.586 CB 1.774 187 residues pruned to eliminate duplicates Z: 14 14.144 1.945 0.554 0.455 1.000 0.462 CB 1.359 14 residues pruned to eliminate duplicates Z: 25 69.989 2.588 0.948 0.944 1.000 1.000 CA 1.962 25 residues pruned to eliminate duplicates Z: 22 59.735 2.488 1.095 0.872 1.000 0.810 CB 1.823 22 residues pruned to eliminate duplicates Z: 30 68.501 2.531 1.286 0.938 0.931 0.621 CB 1.642 30 residues pruned to eliminate duplicates Z: 25 64.855 2.563 0.848 0.951 1.000 1.000 CA 1.927 25 residues pruned to eliminate duplicates Z: 9 5.453 2.054 0.267 0.395 0.500 0.375 CB 1.655 9 residues pruned to eliminate duplicates Z: 20 26.776 2.118 0.562 0.850 1.000 0.684 CB 1.375 6 residues pruned to eliminate duplicates Z: 6 6.266 1.791 0.175 0.790 1.000 0.400 CB 1.032 6 residues pruned to eliminate duplicates Z: 91 113.438 2.545 1.362 0.791 0.933 0.489 CB 1.652 89 residues pruned to eliminate duplicates Z: 32 63.697 2.440 1.101 0.922 0.968 0.806 CB 1.621 32 residues pruned to eliminate duplicates Z: 26 74.411 2.506 1.554 0.943 0.960 0.760 CB 1.678 26 residues pruned to eliminate duplicates Z: 28 54.086 2.436 1.034 0.812 0.889 0.667 CB 1.801 28 residues pruned to eliminate duplicates Z: 7 7.530 1.790 1.013 0.747 0.833 0.667 CB 0.821 Z: 172 152.803 2.550 1.191 0.744 0.965 0.649 CB 1.742 184 residues pruned to eliminate duplicates Z: 18 57.511 2.443 1.575 0.889 1.000 0.765 CB 1.596 18 residues pruned to eliminate duplicates Z: 14 33.379 2.464 0.778 0.862 0.923 0.923 CB 1.681 14 residues pruned to eliminate duplicates Z: 17 40.339 2.383 1.115 0.883 1.000 0.625 CB 1.447 17 residues pruned to eliminate duplicates Z: 32 69.100 2.468 1.264 0.912 0.935 0.742 CB 1.681 32 residues pruned to eliminate duplicates Z: 31 69.428 2.489 1.060 0.927 1.000 0.900 CB 1.733 31 residues pruned to eliminate duplicates Z: 28 63.393 2.341 1.356 0.915 0.963 0.407 CB 1.623 28 residues pruned to eliminate duplicates Z: 231 158.796 2.494 1.142 0.712 0.952 0.591 CB 1.699 195 residues pruned to eliminate duplicates Z: 20 34.851 2.214 0.988 0.802 0.947 0.579 CB 1.472 20 residues pruned to eliminate duplicates Z: 180 139.340 2.529 1.030 0.700 0.955 0.737 CB 1.769 180 residues pruned to eliminate duplicates Z: 25 64.298 2.550 1.000 0.908 0.917 0.708 CB 1.994 26 residues pruned to eliminate duplicates Z: 189 143.722 2.502 1.133 0.691 0.963 0.660 CB 1.713 188 residues pruned to eliminate duplicates Z: 17 36.675 2.432 1.027 0.826 0.938 0.688 CB 1.497 Z: 17 30.882 2.462 0.777 0.567 0.938 0.625 CB 1.765 17 residues pruned to eliminate duplicates Z: 28 63.337 2.495 1.014 0.859 0.963 0.741 CB 1.854 28 residues pruned to eliminate duplicates Z: 26 23.341 2.270 0.763 0.369 0.840 0.440 CB 1.598 26 residues pruned to eliminate duplicates Z: 171 146.698 2.584 1.072 0.727 0.971 0.671 CB 1.764 178 residues pruned to eliminate duplicates Z: 7 13.540 2.286 0.645 0.377 1.000 0.500 CB 1.677 7 residues pruned to eliminate duplicates Z: 14 54.700 2.448 1.321 0.884 1.000 0.154 CB 1.929 14 residues pruned to eliminate duplicates Z: 27 67.678 2.534 1.251 0.921 0.962 0.731 CB 1.702 27 residues pruned to eliminate duplicates Z: 13 31.191 2.290 0.787 0.875 1.000 0.833 CA 1.600 13 residues pruned to eliminate duplicates Z: 48 53.029 2.454 0.834 0.579 0.894 0.404 CB 1.782 48 residues pruned to eliminate duplicates Z: 6 2.591 1.622 0.142 0.386 0.800 0.400 N 0.883 Z: 12 32.395 2.312 0.976 0.794 1.000 0.818 CB 1.652 13 residues pruned to eliminate duplicates Z: 8 6.505 1.657 0.446 0.491 0.857 0.429 CB 1.208 Z: 180 130.594 2.512 1.074 0.677 0.927 0.587 CB 1.716 180 residues pruned to eliminate duplicates Z: 21 52.259 2.530 0.903 0.881 1.000 0.650 CB 1.758 21 residues pruned to eliminate duplicates Z: 28 55.968 2.409 0.953 0.803 0.963 0.481 CB 1.825 28 residues pruned to eliminate duplicates Z: 52 68.915 2.492 1.052 0.727 0.882 0.529 CB 1.743 52 residues pruned to eliminate duplicates Z: 19 52.980 2.452 1.075 0.926 1.000 0.944 CB 1.722 19 residues pruned to eliminate duplicates Z: 6 10.242 2.039 0.424 0.696 0.800 0.800 CA 1.649 6 residues pruned to eliminate duplicates Z: 17 64.820 2.571 1.755 0.926 0.875 0.500 CB 1.833 17 residues pruned to eliminate duplicates Z: 50 66.613 2.282 0.993 0.894 0.939 0.653 CB 1.598 50 residues pruned to eliminate duplicates Z: 73 79.808 2.479 0.884 0.752 0.917 0.681 CB 1.755 73 residues pruned to eliminate duplicates Z: 30 24.828 2.159 0.580 0.396 0.931 0.552 CB 1.619 30 residues pruned to eliminate duplicates Z: 27 23.535 2.234 0.656 0.500 0.846 0.500 CB 1.473 27 residues pruned to eliminate duplicates Z: 48 53.921 2.443 0.877 0.661 0.936 0.638 CB 1.579 48 residues pruned to eliminate duplicates Z: 118 106.955 2.500 0.969 0.712 0.957 0.735 CB 1.731 118 residues pruned to eliminate duplicates Z: 159 133.087 2.532 1.121 0.703 0.949 0.608 CB 1.727 146 residues pruned to eliminate duplicates Z: 18 25.392 2.245 0.852 0.827 0.824 0.294 CB 1.356 18 residues pruned to eliminate duplicates Z: 175 140.116 2.499 1.109 0.708 0.948 0.592 CB 1.759 175 residues pruned to eliminate duplicates Z: 17 52.690 2.472 1.136 0.950 1.000 1.000 CB 1.720 17 residues pruned to eliminate duplicates Z: 21 64.426 2.392 1.548 0.943 1.000 0.500 CB 1.638 21 residues pruned to eliminate duplicates Z: 17 60.608 2.456 1.543 0.906 0.938 0.250 CB 1.840 17 residues pruned to eliminate duplicates Z: 7 11.788 1.843 0.492 0.794 1.000 0.833 CB 1.353 7 residues pruned to eliminate duplicates Z: 18 55.049 2.387 1.398 0.916 0.941 0.412 CB 1.751 18 residues pruned to eliminate duplicates Z: 23 43.713 2.347 1.275 0.812 0.909 0.500 CB 1.464 23 residues pruned to eliminate duplicates Z: 19 31.125 2.194 0.667 0.859 1.000 0.778 CB 1.476 17 residues pruned to eliminate duplicates Z: 121 133.916 2.598 1.138 0.764 0.983 0.775 CB 1.771 121 residues pruned to eliminate duplicates Z: 24 65.954 2.511 1.452 0.918 0.913 0.391 CB 1.725 Z: 27 57.225 2.500 0.806 0.870 0.962 0.731 CA 1.887 27 residues pruned to eliminate duplicates Z: 18 46.967 2.291 1.228 0.916 0.941 0.353 CB 1.674 18 residues pruned to eliminate duplicates Z: 14 30.547 2.412 1.024 0.870 0.923 0.462 CB 1.373 14 residues pruned to eliminate duplicates Z: 25 66.801 2.453 1.324 0.934 0.958 0.375 CB 1.740 25 residues pruned to eliminate duplicates Z: 20 28.359 2.058 0.711 0.841 0.947 0.684 CB 1.455 20 residues pruned to eliminate duplicates Z: 24 22.211 2.080 0.814 0.395 0.870 0.609 CA 1.578 24 residues pruned to eliminate duplicates Z: 10 10.122 1.894 0.683 0.362 0.778 0.444 CB 1.579 10 residues pruned to eliminate duplicates Z: 41 88.156 2.550 1.464 0.827 0.975 0.550 CB 1.714 41 residues pruned to eliminate duplicates Z: 7 13.298 2.055 0.574 0.697 1.000 0.500 CB 1.402 Z: 6 11.482 1.899 0.858 0.854 1.000 0.800 CA 1.075 6 residues pruned to eliminate duplicates Z: 23 35.971 2.303 0.924 0.723 0.955 0.591 CB 1.483 20 residues pruned to eliminate duplicates 6 1.201 1.185 0.237 0.627 0.800 0.600 CB 0.406 ? Z: 101 86.616 2.479 0.969 0.587 0.930 0.620 CB 1.755 101 residues pruned to eliminate duplicates Z: 24 62.232 2.554 1.031 0.900 0.957 0.826 CB 1.868 24 residues pruned to eliminate duplicates Z: 11 29.903 2.400 0.686 0.854 1.000 0.800 CA 1.726 11 residues pruned to eliminate duplicates Z: 213 147.241 2.497 0.996 0.733 0.967 0.679 CB 1.702 256 residues pruned to eliminate duplicates Z: 20 35.701 2.154 0.998 0.856 1.000 0.526 CB 1.404 Z: 26 51.966 2.441 1.294 0.893 0.840 0.520 CB 1.586 26 residues pruned to eliminate duplicates Z: 20 32.597 2.162 0.812 0.874 1.000 0.684 CB 1.389 21 residues pruned to eliminate duplicates Z: 29 45.591 2.347 0.957 0.804 0.893 0.536 CB 1.611 29 residues pruned to eliminate duplicates Z: 6 8.836 1.825 0.423 0.689 1.000 0.800 CB 1.279 6 residues pruned to eliminate duplicates Z: 181 155.675 2.561 1.213 0.699 0.961 0.606 CB 1.777 181 residues pruned to eliminate duplicates Z: 11 31.518 2.420 0.772 0.797 1.000 0.800 CA 1.792 11 residues pruned to eliminate duplicates Z: 9 27.628 2.288 1.040 0.908 0.875 0.875 CA 1.699 9 residues pruned to eliminate duplicates Z: 10 16.361 2.101 0.903 0.748 0.778 0.556 CB 1.405 10 residues pruned to eliminate duplicates Z: 89 106.348 2.531 1.197 0.777 0.966 0.545 CB 1.654 89 residues pruned to eliminate duplicates Z: 56 80.705 2.479 1.047 0.755 0.964 0.691 CB 1.773 56 residues pruned to eliminate duplicates Z: 24 45.522 2.505 0.660 0.894 0.870 0.826 CA 1.884 24 residues pruned to eliminate duplicates Z: 9 20.579 2.231 0.404 0.873 1.000 0.750 CB 1.692 9 residues pruned to eliminate duplicates Z: 183 143.070 2.506 1.112 0.694 0.973 0.615 CB 1.725 162 residues pruned to eliminate duplicates Z: 16 34.890 2.285 0.950 0.779 0.867 0.800 CB 1.824 16 residues pruned to eliminate duplicates Z: 28 69.050 2.477 1.055 0.857 1.000 0.778 CA 1.925 28 residues pruned to eliminate duplicates Z: 29 57.027 2.456 0.913 0.747 0.964 0.607 CA 1.907 29 residues pruned to eliminate duplicates Z: 7 3.523 1.472 -0.013 0.561 0.833 0.500 CB 1.119 Z: 6 9.951 1.875 0.556 0.707 1.000 0.600 CA 1.263 Z: 8 3.574 1.453 0.574 0.315 0.714 0.429 CB 1.014 Z: 182 143.763 2.544 1.099 0.683 0.950 0.602 CB 1.781 117 residues pruned to eliminate duplicates Z: 39 62.059 2.530 1.009 0.622 0.974 0.579 CB 1.814 39 residues pruned to eliminate duplicates Z: 141 117.954 2.493 0.969 0.713 0.964 0.714 CB 1.736 141 residues pruned to eliminate duplicates Z: 28 48.761 2.450 1.329 0.650 0.889 0.593 CB 1.609 28 residues pruned to eliminate duplicates Z: 6 10.774 1.796 0.649 0.853 1.000 0.800 CA 1.202 6 residues pruned to eliminate duplicates Z: 14 24.237 1.913 0.958 0.716 1.000 0.615 CA 1.476 14 residues pruned to eliminate duplicates Z: 32 62.966 2.472 0.999 0.926 0.935 0.871 CB 1.715 32 residues pruned to eliminate duplicates Z: 12 17.378 2.134 0.563 0.480 1.000 0.636 CB 1.603 12 residues pruned to eliminate duplicates Z: 20 56.446 2.584 1.464 0.949 0.895 0.474 CB 1.568 20 residues pruned to eliminate duplicates Z: 177 141.998 2.517 1.140 0.692 0.966 0.670 CB 1.727 177 residues pruned to eliminate duplicates Z: 28 55.501 2.404 0.923 0.911 1.000 0.852 CB 1.637 28 residues pruned to eliminate duplicates Z: 37 53.429 2.442 0.836 0.676 0.944 0.639 CB 1.787 37 residues pruned to eliminate duplicates Z: 20 26.354 2.075 0.576 0.855 0.947 0.684 CB 1.440 20 residues pruned to eliminate duplicates Z: 13 38.767 2.312 1.162 0.878 1.000 0.833 CA 1.626 Z: 26 73.386 2.545 1.291 0.959 1.000 0.760 CB 1.725 26 residues pruned to eliminate duplicates Z: 7 16.798 1.980 0.892 0.838 1.000 0.833 CA 1.368 7 residues pruned to eliminate duplicates Z: 7 2.542 1.447 0.614 0.416 0.667 0.500 CB 0.728 Z: 10 26.319 2.126 0.961 0.869 1.000 0.556 CB 1.536 10 residues pruned to eliminate duplicates Z: 10 15.009 2.078 0.488 0.832 0.889 0.778 CB 1.367 10 residues pruned to eliminate duplicates Z: 30 81.304 2.544 1.594 0.962 0.931 0.345 CB 1.681 19 residues pruned to eliminate duplicates Z: 183 144.559 2.565 1.080 0.683 0.973 0.626 CB 1.746 183 residues pruned to eliminate duplicates Z: 6 3.101 1.620 0.851 0.435 0.600 0.600 CB 0.825 6 residues pruned to eliminate duplicates Z: 21 60.055 2.562 1.221 0.878 0.950 0.550 CB 1.803 34 residues pruned to eliminate duplicates Z: 51 76.865 2.369 1.120 0.776 0.980 0.760 CB 1.732 48 residues pruned to eliminate duplicates Z: 30 78.193 2.565 1.361 0.949 1.000 0.862 CB 1.655 30 residues pruned to eliminate duplicates Z: 11 35.359 2.542 0.670 0.889 1.000 0.800 CA 1.895 11 residues pruned to eliminate duplicates Z: 22 38.599 2.321 0.760 0.703 0.952 0.857 CA 1.801 22 residues pruned to eliminate duplicates Z: 9 12.977 1.813 0.696 0.645 1.000 0.500 CA 1.302 9 residues pruned to eliminate duplicates Z: 208 150.549 2.520 1.139 0.681 0.952 0.618 CB 1.727 575 residues pruned to eliminate duplicates Z: 98 88.266 2.409 1.000 0.680 0.918 0.608 CB 1.717 97 residues pruned to eliminate duplicates Z: 18 58.421 2.529 1.233 0.931 1.000 0.824 CB 1.752 18 residues pruned to eliminate duplicates Z: 27 71.662 2.469 1.205 0.898 0.962 0.500 CA 1.920 29 residues pruned to eliminate duplicates Z: 22 51.399 2.424 1.321 0.868 0.952 0.619 CB 1.530 22 residues pruned to eliminate duplicates Z: 148 136.512 2.559 1.234 0.714 0.939 0.537 CB 1.728 148 residues pruned to eliminate duplicates Z: 47 68.246 2.380 1.015 0.781 0.957 0.696 CB 1.712 21 residues pruned to eliminate duplicates Z: 47 81.018 2.507 1.254 0.773 0.957 0.652 CB 1.736 47 residues pruned to eliminate duplicates Z: 11 17.005 1.992 1.034 0.841 0.800 0.500 CB 1.237 11 residues pruned to eliminate duplicates Z: 181 143.964 2.513 1.121 0.687 0.972 0.594 CB 1.744 181 residues pruned to eliminate duplicates Z: 67 63.265 2.474 0.808 0.557 0.939 0.606 CB 1.753 67 residues pruned to eliminate duplicates Z: 28 55.876 2.418 1.020 0.861 0.926 0.556 CB 1.748 28 residues pruned to eliminate duplicates Z: 8 2.886 1.345 0.675 0.305 0.857 0.571 CB 0.702 Z: 8 18.342 2.285 0.381 0.776 1.000 0.857 CB 1.722 8 residues pruned to eliminate duplicates Z: 15 43.246 2.523 1.524 0.910 0.786 0.714 CB 1.638 15 residues pruned to eliminate duplicates Z: 19 40.491 2.251 1.003 0.880 1.000 0.722 CB 1.534 19 residues pruned to eliminate duplicates Z: 12 12.320 2.015 0.531 0.495 0.909 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 7.265 1.876 0.085 0.585 1.000 0.125 CB 1.163 9 residues pruned to eliminate duplicates Z: 7 8.786 1.787 0.298 0.761 0.833 0.333 CA 1.471 7 residues pruned to eliminate duplicates Z: 179 142.355 2.512 1.122 0.682 0.972 0.646 CB 1.744 179 residues pruned to eliminate duplicates Z: 71 73.227 2.503 0.938 0.603 0.943 0.600 CB 1.735 71 residues pruned to eliminate duplicates Z: 168 141.068 2.545 1.070 0.748 0.952 0.641 CB 1.744 168 residues pruned to eliminate duplicates Z: 7 4.364 1.521 0.662 0.332 0.833 0.500 CA 1.016 Z: 14 25.596 2.261 0.941 0.715 0.923 0.846 CB 1.442 14 residues pruned to eliminate duplicates Z: 18 62.133 2.513 1.663 0.878 0.941 0.529 CB 1.737 18 residues pruned to eliminate duplicates Z: 21 47.857 2.483 0.900 0.872 0.950 0.750 CB 1.741 21 residues pruned to eliminate duplicates Z: 130 123.331 2.511 1.078 0.704 0.969 0.698 CB 1.783 130 residues pruned to eliminate duplicates Z: 25 44.425 2.471 0.893 0.695 0.958 0.792 CB 1.692 25 residues pruned to eliminate duplicates Z: 7 3.040 1.691 0.609 0.329 0.500 0.500 N 1.101 Z: 93 79.720 2.421 0.944 0.599 0.924 0.598 CB 1.739 93 residues pruned to eliminate duplicates Z: 181 148.066 2.555 1.145 0.696 0.967 0.606 CB 1.742 181 residues pruned to eliminate duplicates Z: 70 71.804 2.493 0.915 0.623 0.942 0.652 CB 1.711 70 residues pruned to eliminate duplicates Z: 41 68.011 2.392 0.978 0.791 1.000 0.800 CB 1.759 41 residues pruned to eliminate duplicates Z: 10 18.905 2.315 0.390 0.826 0.889 0.667 CB 1.661 10 residues pruned to eliminate duplicates Z: 6 6.548 1.657 0.347 0.736 1.000 0.600 CB 1.061 Z: 18 41.595 2.358 1.030 0.867 1.000 0.588 CB 1.541 18 residues pruned to eliminate duplicates Z: 124 114.610 2.525 1.034 0.659 0.976 0.610 CB 1.779 124 residues pruned to eliminate duplicates Z: 32 61.555 2.664 0.815 0.653 1.000 0.742 CA 1.983 32 residues pruned to eliminate duplicates Z: 30 57.505 2.473 0.866 0.939 1.000 0.862 CB 1.609 30 residues pruned to eliminate duplicates Z: 118 101.044 2.509 1.064 0.585 0.949 0.615 CB 1.752 118 residues pruned to eliminate duplicates Z: 161 140.420 2.536 1.149 0.698 0.975 0.594 CB 1.744 161 residues pruned to eliminate duplicates Z: 7 12.314 1.959 0.882 0.753 1.000 1.000 CA 1.088 7 residues pruned to eliminate duplicates Z: 18 38.704 2.325 0.981 0.853 1.000 0.765 CB 1.507 18 residues pruned to eliminate duplicates Z: 24 49.376 2.598 0.853 0.699 0.913 0.652 CA 1.954 24 residues pruned to eliminate duplicates Z: 16 62.354 2.666 1.442 0.925 0.933 0.667 CB 1.859 16 residues pruned to eliminate duplicates Z: 27 75.059 2.499 1.252 0.913 0.962 0.731 CA 1.925 27 residues pruned to eliminate duplicates Z: 18 39.342 2.342 0.983 0.858 1.000 0.647 CB 1.514 18 residues pruned to eliminate duplicates Z: 96 106.514 2.564 1.197 0.665 0.968 0.600 CB 1.719 96 residues pruned to eliminate duplicates Z: 6 4.303 1.315 0.587 0.666 0.800 0.600 CB 0.989 6 residues pruned to eliminate duplicates Z: 27 51.999 2.355 1.077 0.863 0.846 0.692 CB 1.808 27 residues pruned to eliminate duplicates Z: 30 55.726 2.500 1.067 0.656 0.966 0.690 CB 1.794 30 residues pruned to eliminate duplicates Z: 7 17.170 2.206 0.558 0.841 1.000 1.000 CA 1.521 7 residues pruned to eliminate duplicates Z: 16 35.507 2.211 1.228 0.933 1.000 0.467 CB 1.299 16 residues pruned to eliminate duplicates Z: 8 2.448 1.584 0.721 0.337 0.429 0.286 C 0.947 Z: 19 54.438 2.367 1.225 0.888 1.000 0.500 CB 1.755 19 residues pruned to eliminate duplicates Z: 19 38.199 2.211 1.052 0.890 1.000 0.444 CB 1.428 19 residues pruned to eliminate duplicates Z: 12 34.283 2.418 1.016 0.872 0.909 0.545 CB 1.699 12 residues pruned to eliminate duplicates Z: 80 100.779 2.542 1.036 0.744 0.975 0.595 CB 1.807 80 residues pruned to eliminate duplicates Z: 182 150.080 2.533 1.141 0.701 0.961 0.575 CB 1.782 182 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 142 135.993 2.521 1.258 0.712 0.972 0.645 CB 1.707 142 residues pruned to eliminate duplicates Z: 184 140.053 2.526 1.116 0.714 0.940 0.585 CB 1.698 184 residues pruned to eliminate duplicates Z: 179 144.086 2.506 1.165 0.698 0.966 0.640 CB 1.721 179 residues pruned to eliminate duplicates Z: 185 142.777 2.497 1.202 0.696 0.940 0.571 CB 1.702 185 residues pruned to eliminate duplicates Z: 136 134.021 2.536 1.227 0.724 0.956 0.578 CB 1.746 136 residues pruned to eliminate duplicates Z: 184 142.019 2.518 1.124 0.701 0.951 0.525 CB 1.718 184 residues pruned to eliminate duplicates Z: 142 135.136 2.517 1.216 0.706 0.979 0.688 CB 1.729 142 residues pruned to eliminate duplicates Z: 182 143.028 2.522 1.157 0.694 0.950 0.591 CB 1.723 182 residues pruned to eliminate duplicates Z: 179 145.924 2.525 1.142 0.704 0.966 0.629 CB 1.738 179 residues pruned to eliminate duplicates Z: 184 141.294 2.514 1.161 0.708 0.934 0.557 CB 1.703 184 residues pruned to eliminate duplicates Z: 186 144.995 2.500 1.173 0.704 0.951 0.595 CB 1.714 186 residues pruned to eliminate duplicates Z: 73 68.902 2.475 0.961 0.622 0.889 0.583 CB 1.678 73 residues pruned to eliminate duplicates Z: 184 151.199 2.538 1.223 0.714 0.951 0.628 CB 1.716 184 residues pruned to eliminate duplicates Z: 146 135.544 2.505 1.245 0.704 0.972 0.662 CB 1.710 146 residues pruned to eliminate duplicates Z: 146 144.665 2.550 1.239 0.746 0.966 0.662 CB 1.749 146 residues pruned to eliminate duplicates Z: 75 106.975 2.530 1.285 0.783 0.973 0.662 CB 1.722 75 residues pruned to eliminate duplicates Z: 133 134.870 2.552 1.225 0.740 0.970 0.636 CB 1.720 133 residues pruned to eliminate duplicates Z: 218 168.244 2.545 1.195 0.733 0.963 0.604 CB 1.721 263 residues pruned to eliminate duplicates Z: 31 53.668 2.515 1.021 0.626 0.967 0.700 CB 1.772 31 residues pruned to eliminate duplicates Z: 185 143.130 2.512 1.192 0.698 0.935 0.571 CB 1.711 185 residues pruned to eliminate duplicates Z: 185 142.742 2.515 1.156 0.706 0.940 0.571 CB 1.712 185 residues pruned to eliminate duplicates Z: 181 144.997 2.514 1.184 0.700 0.961 0.567 CB 1.706 181 residues pruned to eliminate duplicates Z: 184 142.156 2.524 1.137 0.711 0.940 0.596 CB 1.711 184 residues pruned to eliminate duplicates Z: 141 133.555 2.549 1.140 0.737 0.971 0.621 CB 1.723 141 residues pruned to eliminate duplicates Z: 181 141.396 2.525 1.115 0.694 0.950 0.656 CB 1.740 181 residues pruned to eliminate duplicates Z: 184 138.160 2.509 1.151 0.695 0.940 0.601 CB 1.684 184 residues pruned to eliminate duplicates Z: 184 134.818 2.514 1.100 0.700 0.929 0.546 CB 1.694 184 residues pruned to eliminate duplicates Z: 181 148.337 2.539 1.156 0.705 0.967 0.639 CB 1.734 181 residues pruned to eliminate duplicates Z: 172 149.057 2.546 1.186 0.737 0.959 0.614 CB 1.726 172 residues pruned to eliminate duplicates Z: 78 74.061 2.478 1.031 0.623 0.896 0.571 CB 1.666 78 residues pruned to eliminate duplicates Z: 73 81.960 2.535 1.100 0.667 0.903 0.611 CB 1.723 73 residues pruned to eliminate duplicates Z: 181 147.792 2.513 1.259 0.702 0.944 0.611 CB 1.709 181 residues pruned to eliminate duplicates Z: 183 150.385 2.514 1.204 0.706 0.973 0.544 CB 1.715 183 residues pruned to eliminate duplicates Z: 131 132.455 2.549 1.245 0.745 0.954 0.638 CB 1.710 131 residues pruned to eliminate duplicates Z: 185 151.892 2.523 1.173 0.706 0.973 0.587 CB 1.740 185 residues pruned to eliminate duplicates Z: 47 64.627 2.504 0.918 0.701 0.978 0.674 CB 1.689 47 residues pruned to eliminate duplicates Z: 218 164.584 2.532 1.132 0.737 0.968 0.645 CB 1.729 218 residues pruned to eliminate duplicates Z: 179 133.519 2.482 1.176 0.677 0.938 0.551 CB 1.678 179 residues pruned to eliminate duplicates Z: 128 134.109 2.563 1.149 0.760 0.976 0.693 CB 1.756 128 residues pruned to eliminate duplicates Z: 185 147.011 2.517 1.182 0.702 0.951 0.636 CB 1.726 185 residues pruned to eliminate duplicates Z: 171 161.683 2.569 1.250 0.732 0.988 0.629 CB 1.763 171 residues pruned to eliminate duplicates Z: 47 59.964 2.504 0.874 0.623 0.957 0.522 CB 1.754 41 residues pruned to eliminate duplicates Z: 28 59.148 2.460 1.125 0.790 0.926 0.667 CB 1.823 28 residues pruned to eliminate duplicates Z: 172 155.257 2.552 1.190 0.735 0.988 0.649 CB 1.740 172 residues pruned to eliminate duplicates Z: 46 54.017 2.486 0.900 0.632 0.911 0.578 CB 1.654 46 residues pruned to eliminate duplicates Z: 173 157.098 2.558 1.252 0.719 0.977 0.634 CB 1.746 173 residues pruned to eliminate duplicates Z: 182 143.230 2.502 1.201 0.683 0.945 0.597 CB 1.730 182 residues pruned to eliminate duplicates Z: 184 147.210 2.528 1.153 0.701 0.967 0.585 CB 1.721 184 residues pruned to eliminate duplicates Z: 229 163.875 2.507 1.198 0.709 0.947 0.627 CB 1.720 229 residues pruned to eliminate duplicates Z: 218 168.383 2.545 1.154 0.734 0.972 0.677 CB 1.738 218 residues pruned to eliminate duplicates Z: 22 32.544 2.344 0.961 0.482 0.952 0.571 CB 1.651 28 residues pruned to eliminate duplicates Z: 184 141.904 2.532 1.117 0.697 0.945 0.579 CB 1.729 184 residues pruned to eliminate duplicates Z: 43 66.925 2.559 0.992 0.681 0.952 0.595 CB 1.801 47 residues pruned to eliminate duplicates Z: 34 55.209 2.436 0.860 0.723 0.970 0.788 CA 1.789 34 residues pruned to eliminate duplicates Z: 91 90.946 2.468 0.976 0.697 0.956 0.622 CB 1.718 91 residues pruned to eliminate duplicates Z: 184 146.798 2.512 1.150 0.709 0.956 0.634 CB 1.738 184 residues pruned to eliminate duplicates Z: 181 145.589 2.513 1.143 0.695 0.967 0.572 CB 1.745 181 residues pruned to eliminate duplicates Z: 48 69.097 2.482 0.951 0.695 1.000 0.638 CB 1.742 44 residues pruned to eliminate duplicates Z: 10 31.418 2.442 0.859 0.805 1.000 0.778 CA 1.768 Z: 12 26.254 2.277 0.947 0.732 0.909 0.636 CA 1.594 22 residues pruned to eliminate duplicates Z: 184 151.323 2.532 1.191 0.706 0.962 0.601 CB 1.739 47 residues pruned to eliminate duplicates Z: 12 30.757 2.395 0.913 0.822 1.000 0.727 CA 1.531 12 residues pruned to eliminate duplicates Z: 22 28.366 2.449 0.879 0.447 0.810 0.429 CB 1.755 22 residues pruned to eliminate duplicates Z: 44 67.922 2.531 0.968 0.679 0.977 0.628 CB 1.806 44 residues pruned to eliminate duplicates Z: 84 81.603 2.465 1.046 0.628 0.940 0.602 CB 1.676 84 residues pruned to eliminate duplicates Z: 172 144.523 2.530 1.152 0.707 0.965 0.620 CB 1.742 172 residues pruned to eliminate duplicates Z: 85 79.319 2.459 1.036 0.609 0.929 0.643 CB 1.678 85 residues pruned to eliminate duplicates Z: 14 14.107 2.070 0.594 0.450 0.923 0.462 CB 1.353 14 residues pruned to eliminate duplicates Z: 82 82.719 2.480 0.976 0.607 0.963 0.654 CB 1.759 82 residues pruned to eliminate duplicates Z: 181 141.777 2.536 1.104 0.687 0.956 0.683 CB 1.746 71 residues pruned to eliminate duplicates Z: 6 8.866 2.118 0.711 0.416 1.000 0.800 CA 1.195 Z: 10 8.358 1.971 0.265 0.541 0.889 0.444 CB 1.209 16 residues pruned to eliminate duplicates Z: 13 13.789 2.087 0.532 0.441 0.833 0.500 CB 1.588 13 residues pruned to eliminate duplicates Z: 16 13.311 2.082 0.335 0.422 0.933 0.600 CB 1.437 16 residues pruned to eliminate duplicates Z: 14 12.801 1.966 0.551 0.386 0.923 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 142 118.741 2.506 1.007 0.694 0.950 0.688 CB 1.752 142 residues pruned to eliminate duplicates Z: 121 108.976 2.474 1.027 0.691 0.950 0.733 CB 1.754 121 residues pruned to eliminate duplicates Z: 181 143.119 2.539 1.083 0.691 0.956 0.700 CB 1.772 181 residues pruned to eliminate duplicates Z: 186 133.839 2.492 1.016 0.710 0.941 0.714 CB 1.721 186 residues pruned to eliminate duplicates Z: 74 61.715 2.402 0.833 0.540 0.932 0.630 CB 1.693 74 residues pruned to eliminate duplicates Z: 181 138.436 2.518 0.983 0.709 0.972 0.711 CB 1.758 181 residues pruned to eliminate duplicates Z: 183 132.078 2.514 1.010 0.706 0.923 0.698 CB 1.740 183 residues pruned to eliminate duplicates Z: 185 139.441 2.516 1.054 0.696 0.962 0.630 CB 1.729 185 residues pruned to eliminate duplicates Z: 184 135.953 2.497 1.030 0.702 0.956 0.645 CB 1.724 184 residues pruned to eliminate duplicates Z: 178 128.523 2.509 0.968 0.676 0.949 0.723 CB 1.753 178 residues pruned to eliminate duplicates Z: 75 80.112 2.521 0.991 0.646 0.932 0.743 CB 1.736 75 residues pruned to eliminate duplicates Z: 184 142.477 2.516 1.064 0.709 0.967 0.694 CB 1.735 184 residues pruned to eliminate duplicates Z: 181 137.696 2.517 1.017 0.701 0.950 0.706 CB 1.772 181 residues pruned to eliminate duplicates Z: 181 141.109 2.514 1.038 0.704 0.961 0.756 CB 1.774 181 residues pruned to eliminate duplicates Z: 172 138.785 2.542 1.057 0.727 0.947 0.673 CB 1.745 172 residues pruned to eliminate duplicates Z: 130 125.491 2.534 1.099 0.731 0.969 0.674 CB 1.742 130 residues pruned to eliminate duplicates Z: 143 116.161 2.487 1.019 0.689 0.951 0.676 CB 1.717 143 residues pruned to eliminate duplicates Z: 62 84.627 2.592 1.015 0.708 0.984 0.689 CB 1.746 62 residues pruned to eliminate duplicates Z: 172 138.714 2.516 1.073 0.739 0.953 0.684 CB 1.723 172 residues pruned to eliminate duplicates Z: 185 130.834 2.492 0.973 0.703 0.946 0.728 CB 1.724 185 residues pruned to eliminate duplicates Z: 181 137.500 2.514 0.974 0.696 0.972 0.700 CB 1.777 181 residues pruned to eliminate duplicates Z: 180 142.505 2.533 1.061 0.689 0.966 0.693 CB 1.775 180 residues pruned to eliminate duplicates Z: 104 105.299 2.496 1.040 0.697 0.981 0.757 CB 1.736 104 residues pruned to eliminate duplicates Z: 231 150.628 2.494 1.009 0.719 0.948 0.678 CB 1.716 231 residues pruned to eliminate duplicates Z: 143 119.880 2.526 0.975 0.685 0.958 0.746 CB 1.777 143 residues pruned to eliminate duplicates Z: 129 131.124 2.547 1.124 0.736 0.984 0.734 CB 1.761 129 residues pruned to eliminate duplicates Z: 180 137.618 2.506 1.003 0.688 0.972 0.693 CB 1.774 180 residues pruned to eliminate duplicates Z: 75 81.331 2.521 1.000 0.657 0.959 0.743 CB 1.689 75 residues pruned to eliminate duplicates Z: 181 139.604 2.521 1.038 0.697 0.978 0.689 CB 1.731 181 residues pruned to eliminate duplicates Z: 129 132.739 2.565 1.101 0.742 0.984 0.734 CB 1.781 129 residues pruned to eliminate duplicates Z: 105 119.041 2.557 1.024 0.762 0.990 0.788 CB 1.804 105 residues pruned to eliminate duplicates Z: 103 95.290 2.497 0.933 0.699 0.941 0.755 CB 1.733 103 residues pruned to eliminate duplicates Z: 77 80.407 2.500 0.978 0.656 0.961 0.658 CB 1.680 77 residues pruned to eliminate duplicates Z: 108 113.687 2.532 1.081 0.741 0.963 0.757 CB 1.746 108 residues pruned to eliminate duplicates Z: 184 134.338 2.510 0.983 0.697 0.956 0.716 CB 1.743 184 residues pruned to eliminate duplicates Z: 180 141.265 2.517 1.047 0.708 0.966 0.715 CB 1.755 180 residues pruned to eliminate duplicates Z: 171 144.145 2.557 1.094 0.723 0.959 0.676 CB 1.761 113 residues pruned to eliminate duplicates Z: 10 36.961 2.622 0.874 0.899 1.000 1.000 CB 1.792 Z: 10 28.436 2.575 0.691 0.841 0.889 0.889 CB 1.826 10 residues pruned to eliminate duplicates Z: 11 41.062 2.447 1.031 0.864 1.000 0.800 CB 1.915 21 residues pruned to eliminate duplicates Z: 219 158.472 2.522 1.062 0.728 0.968 0.647 CB 1.736 219 residues pruned to eliminate duplicates Z: 181 139.217 2.526 0.998 0.703 0.972 0.728 CB 1.757 181 residues pruned to eliminate duplicates Z: 180 140.612 2.528 1.066 0.693 0.961 0.626 CB 1.756 180 residues pruned to eliminate duplicates Z: 181 146.184 2.534 1.076 0.705 0.978 0.700 CB 1.758 181 residues pruned to eliminate duplicates Z: 142 127.180 2.515 1.072 0.696 0.986 0.738 CB 1.743 142 residues pruned to eliminate duplicates Z: 144 120.752 2.491 1.035 0.690 0.965 0.671 CB 1.735 144 residues pruned to eliminate duplicates Z: 163 124.945 2.486 0.992 0.691 0.951 0.722 CB 1.751 163 residues pruned to eliminate duplicates Z: 118 113.974 2.500 1.067 0.707 0.974 0.726 CB 1.734 118 residues pruned to eliminate duplicates Z: 170 143.475 2.533 1.131 0.722 0.964 0.633 CB 1.734 169 residues pruned to eliminate duplicates Z: 31 59.063 2.483 0.764 0.959 1.000 0.867 CB 1.688 31 residues pruned to eliminate duplicates Z: 184 136.160 2.500 1.057 0.707 0.951 0.710 CB 1.706 184 residues pruned to eliminate duplicates Z: 171 140.647 2.546 1.096 0.731 0.947 0.653 CB 1.733 171 residues pruned to eliminate duplicates Z: 181 141.612 2.532 1.066 0.704 0.961 0.661 CB 1.743 181 residues pruned to eliminate duplicates Z: 184 132.643 2.494 1.039 0.671 0.951 0.705 CB 1.732 184 residues pruned to eliminate duplicates Z: 141 127.868 2.504 1.111 0.703 0.971 0.693 CB 1.749 141 residues pruned to eliminate duplicates Z: 69 96.325 2.579 1.207 0.733 0.971 0.691 CB 1.715 69 residues pruned to eliminate duplicates Z: 185 137.135 2.503 1.086 0.685 0.946 0.685 CB 1.728 185 residues pruned to eliminate duplicates Z: 141 137.954 2.533 1.219 0.707 0.979 0.700 CB 1.756 141 residues pruned to eliminate duplicates Z: 182 152.224 2.531 1.145 0.712 0.972 0.691 CB 1.768 106 residues pruned to eliminate duplicates Z: 29 72.448 2.600 1.288 0.955 0.964 0.679 CB 1.640 29 residues pruned to eliminate duplicates Z: 155 125.977 2.490 1.091 0.693 0.955 0.649 CB 1.712 155 residues pruned to eliminate duplicates Z: 181 146.319 2.490 1.172 0.696 0.961 0.622 CB 1.755 181 residues pruned to eliminate duplicates Z: 230 157.783 2.501 1.115 0.699 0.956 0.624 CB 1.719 230 residues pruned to eliminate duplicates Z: 184 142.652 2.509 1.165 0.711 0.945 0.623 CB 1.696 184 residues pruned to eliminate duplicates Z: 95 132.273 2.589 1.376 0.781 0.979 0.702 CB 1.769 95 residues pruned to eliminate duplicates Z: 119 114.534 2.492 1.198 0.699 0.941 0.627 CB 1.707 119 residues pruned to eliminate duplicates Z: 184 135.922 2.509 1.109 0.693 0.934 0.563 CB 1.704 184 residues pruned to eliminate duplicates Z: 121 121.084 2.485 1.244 0.694 0.967 0.625 CB 1.717 121 residues pruned to eliminate duplicates Z: 184 139.500 2.517 1.161 0.698 0.934 0.579 CB 1.694 184 residues pruned to eliminate duplicates Z: 181 142.307 2.521 1.124 0.681 0.950 0.656 CB 1.765 181 residues pruned to eliminate duplicates Z: 162 132.299 2.488 1.149 0.682 0.957 0.640 CB 1.725 162 residues pruned to eliminate duplicates Z: 184 135.993 2.505 1.105 0.709 0.940 0.579 CB 1.678 184 residues pruned to eliminate duplicates Z: 185 143.263 2.507 1.130 0.712 0.946 0.641 CB 1.725 185 residues pruned to eliminate duplicates Z: 141 125.921 2.520 1.181 0.699 0.936 0.621 CB 1.726 141 residues pruned to eliminate duplicates Z: 185 142.805 2.503 1.137 0.695 0.962 0.603 CB 1.712 185 residues pruned to eliminate duplicates Z: 102 111.710 2.515 1.241 0.686 0.980 0.564 CB 1.697 102 residues pruned to eliminate duplicates Z: 161 134.868 2.508 1.121 0.696 0.969 0.625 CB 1.729 161 residues pruned to eliminate duplicates Z: 105 125.812 2.562 1.235 0.761 0.971 0.731 CB 1.759 105 residues pruned to eliminate duplicates Z: 46 73.804 2.406 1.107 0.760 0.956 0.778 CB 1.802 46 residues pruned to eliminate duplicates Z: 46 67.765 2.395 1.050 0.700 0.933 0.711 CA 1.837 46 residues pruned to eliminate duplicates Z: 176 144.830 2.520 1.099 0.754 0.954 0.629 CB 1.730 176 residues pruned to eliminate duplicates Z: 181 149.235 2.515 1.212 0.705 0.967 0.667 CB 1.717 181 residues pruned to eliminate duplicates Z: 183 150.421 2.530 1.169 0.709 0.973 0.582 CB 1.729 183 residues pruned to eliminate duplicates Z: 184 147.277 2.519 1.226 0.713 0.940 0.530 CB 1.703 184 residues pruned to eliminate duplicates Z: 172 139.520 2.539 1.156 0.726 0.936 0.550 CB 1.700 172 residues pruned to eliminate duplicates Z: 144 131.973 2.510 1.269 0.687 0.965 0.615 CB 1.691 144 residues pruned to eliminate duplicates Z: 134 126.156 2.520 1.198 0.743 0.940 0.624 CB 1.690 134 residues pruned to eliminate duplicates Z: 129 137.428 2.544 1.312 0.739 0.969 0.594 CB 1.720 129 residues pruned to eliminate duplicates Z: 185 133.157 2.490 1.108 0.688 0.940 0.565 CB 1.675 185 residues pruned to eliminate duplicates Z: 184 148.843 2.530 1.188 0.707 0.956 0.596 CB 1.722 184 residues pruned to eliminate duplicates Z: 142 132.843 2.523 1.197 0.703 0.972 0.589 CB 1.728 142 residues pruned to eliminate duplicates Z: 163 130.122 2.504 1.107 0.684 0.944 0.611 CB 1.732 163 residues pruned to eliminate duplicates Z: 132 138.151 2.549 1.298 0.741 0.962 0.603 CB 1.726 132 residues pruned to eliminate duplicates Z: 230 160.985 2.514 1.111 0.720 0.965 0.629 CB 1.702 230 residues pruned to eliminate duplicates Z: 189 138.266 2.454 1.131 0.669 0.968 0.644 CB 1.704 189 residues pruned to eliminate duplicates Z: 147 140.669 2.541 1.227 0.750 0.959 0.589 CB 1.716 147 residues pruned to eliminate duplicates Z: 179 144.273 2.521 1.156 0.694 0.966 0.629 CB 1.724 179 residues pruned to eliminate duplicates Z: 107 127.631 2.541 1.325 0.751 0.981 0.604 CB 1.710 107 residues pruned to eliminate duplicates Z: 148 131.602 2.518 1.192 0.729 0.946 0.592 CB 1.692 148 residues pruned to eliminate duplicates Z: 186 143.359 2.506 1.143 0.699 0.962 0.584 CB 1.701 186 residues pruned to eliminate duplicates Z: 129 136.960 2.555 1.303 0.727 0.961 0.547 CB 1.745 129 residues pruned to eliminate duplicates Z: 107 121.380 2.544 1.262 0.747 0.953 0.566 CB 1.724 107 residues pruned to eliminate duplicates Z: 186 140.713 2.500 1.157 0.703 0.941 0.568 CB 1.696 186 residues pruned to eliminate duplicates Z: 230 169.419 2.520 1.150 0.717 0.969 0.611 CB 1.752 230 residues pruned to eliminate duplicates Z: 48 75.303 2.422 1.218 0.764 0.936 0.702 CB 1.728 Z: 20 31.627 2.317 0.746 0.772 0.947 0.526 CB 1.489 20 residues pruned to eliminate duplicates Z: 45 74.300 2.462 1.040 0.805 0.955 0.773 CB 1.791 45 residues pruned to eliminate duplicates Z: 219 169.429 2.527 1.181 0.730 0.977 0.638 CB 1.733 267 residues pruned to eliminate duplicates Z: 231 164.723 2.502 1.134 0.717 0.970 0.661 CB 1.725 231 residues pruned to eliminate duplicates Z: 175 154.907 2.535 1.191 0.755 0.966 0.638 CB 1.744 175 residues pruned to eliminate duplicates Z: 48 77.157 2.418 1.185 0.757 0.957 0.638 CB 1.770 Z: 20 35.581 2.254 0.809 0.806 1.000 0.789 CB 1.532 20 residues pruned to eliminate duplicates Z: 47 80.591 2.478 1.186 0.790 0.978 0.652 CB 1.738 47 residues pruned to eliminate duplicates Z: 20 37.840 2.324 0.866 0.765 1.000 0.526 CB 1.583 22 residues pruned to eliminate duplicates Z: 19 38.500 2.374 1.070 0.811 0.944 0.333 CB 1.491 19 residues pruned to eliminate duplicates Z: 48 81.574 2.472 1.335 0.755 0.979 0.660 CB 1.678 48 residues pruned to eliminate duplicates Z: 18 43.085 2.377 1.139 0.863 1.000 0.706 CB 1.507 18 residues pruned to eliminate duplicates Z: 230 169.556 2.512 1.174 0.713 0.983 0.638 CB 1.722 276 residues pruned to eliminate duplicates Z: 91 95.782 2.494 1.032 0.713 0.956 0.689 CB 1.719 91 residues pruned to eliminate duplicates Z: 216 175.114 2.532 1.230 0.738 0.972 0.665 CB 1.758 216 residues pruned to eliminate duplicates Z: 46 83.013 2.481 1.206 0.783 1.000 0.667 CB 1.762 Z: 21 37.261 2.186 1.052 0.798 0.950 0.650 CB 1.506 21 residues pruned to eliminate duplicates Z: 46 82.741 2.484 1.182 0.800 1.000 0.778 CB 1.751 46 residues pruned to eliminate duplicates Z: 90 106.669 2.510 1.124 0.722 0.978 0.697 CB 1.775 136 residues pruned to eliminate duplicates Z: 219 162.964 2.521 1.164 0.713 0.968 0.638 CB 1.724 219 residues pruned to eliminate duplicates Z: 230 169.049 2.517 1.158 0.717 0.969 0.646 CB 1.743 230 residues pruned to eliminate duplicates Z: 229 163.600 2.511 1.141 0.712 0.965 0.605 CB 1.723 229 residues pruned to eliminate duplicates Z: 218 174.732 2.539 1.208 0.734 0.977 0.664 CB 1.755 113 residues pruned to eliminate duplicates Z: 25 76.332 2.539 1.209 0.946 1.000 0.833 CB 1.921 Z: 27 70.242 2.499 1.232 0.874 0.962 0.846 CB 1.869 27 residues pruned to eliminate duplicates Z: 47 79.307 2.469 1.162 0.778 0.978 0.739 CB 1.752 27 residues pruned to eliminate duplicates Z: 25 62.417 2.519 0.972 0.949 0.958 0.875 CB 1.847 25 residues pruned to eliminate duplicates Z: 48 73.233 2.444 1.146 0.764 0.957 0.723 CB 1.683 48 residues pruned to eliminate duplicates Z: 47 74.500 2.458 1.119 0.784 0.957 0.783 CB 1.717 47 residues pruned to eliminate duplicates Z: 228 162.652 2.501 1.150 0.699 0.969 0.604 CB 1.727 273 residues pruned to eliminate duplicates Z: 45 82.086 2.492 1.223 0.810 0.977 0.795 CB 1.745 Z: 26 60.441 2.491 1.040 0.896 0.920 0.560 CB 1.852 26 residues pruned to eliminate duplicates Z: 47 78.928 2.469 1.138 0.787 0.978 0.761 CB 1.751 45 residues pruned to eliminate duplicates Z: 25 68.602 2.529 1.104 0.949 0.958 0.833 CA 1.895 25 residues pruned to eliminate duplicates Z: 91 102.255 2.505 1.137 0.702 0.956 0.689 CB 1.753 138 residues pruned to eliminate duplicates Z: 229 164.692 2.515 1.138 0.712 0.974 0.618 CB 1.719 229 residues pruned to eliminate duplicates Z: 230 164.409 2.504 1.125 0.721 0.969 0.633 CB 1.726 230 residues pruned to eliminate duplicates Z: 46 81.037 2.475 1.218 0.797 0.978 0.778 CB 1.735 Z: 25 77.896 2.537 1.470 0.928 0.958 0.583 CB 1.855 25 residues pruned to eliminate duplicates Z: 48 77.026 2.422 1.258 0.763 0.979 0.638 CB 1.662 48 residues pruned to eliminate duplicates Z: 26 76.295 2.505 1.510 0.913 0.920 0.520 CB 1.866 26 residues pruned to eliminate duplicates Z: 217 174.034 2.532 1.217 0.739 0.981 0.653 CB 1.735 263 residues pruned to eliminate duplicates Z: 230 172.495 2.509 1.229 0.717 0.969 0.611 CB 1.727 230 residues pruned to eliminate duplicates Z: 47 86.012 2.478 1.380 0.786 0.978 0.630 CB 1.710 Z: 22 58.286 2.521 1.158 0.889 0.952 0.810 CA 1.768 22 residues pruned to eliminate duplicates Z: 69 79.579 2.571 0.927 0.634 0.971 0.662 CB 1.770 69 residues pruned to eliminate duplicates Z: 182 136.281 2.550 1.012 0.689 0.939 0.619 CB 1.768 182 residues pruned to eliminate duplicates Z: 184 140.955 2.563 1.027 0.682 0.962 0.634 CB 1.765 184 residues pruned to eliminate duplicates Z: 182 144.108 2.571 1.076 0.680 0.950 0.657 CB 1.789 182 residues pruned to eliminate duplicates Z: 132 127.378 2.576 1.023 0.743 0.977 0.733 CB 1.758 132 residues pruned to eliminate duplicates Z: 61 68.166 2.468 1.082 0.551 0.967 0.567 CB 1.685 61 residues pruned to eliminate duplicates Z: 68 83.473 2.567 1.071 0.622 0.970 0.597 CB 1.762 68 residues pruned to eliminate duplicates Z: 182 138.215 2.550 0.948 0.700 0.961 0.691 CB 1.792 182 residues pruned to eliminate duplicates Z: 184 143.774 2.540 1.077 0.681 0.951 0.628 CB 1.794 184 residues pruned to eliminate duplicates Z: 182 145.082 2.560 1.074 0.676 0.972 0.619 CB 1.776 182 residues pruned to eliminate duplicates Z: 79 87.492 2.529 1.129 0.656 0.949 0.705 CB 1.678 79 residues pruned to eliminate duplicates Z: 177 133.222 2.561 0.986 0.685 0.943 0.682 CB 1.766 177 residues pruned to eliminate duplicates Z: 182 141.730 2.562 0.980 0.686 0.972 0.669 CB 1.801 182 residues pruned to eliminate duplicates Z: 150 121.430 2.546 1.035 0.647 0.940 0.651 CB 1.782 150 residues pruned to eliminate duplicates Z: 141 123.936 2.553 1.027 0.694 0.979 0.657 CB 1.733 141 residues pruned to eliminate duplicates Z: 181 144.592 2.565 1.033 0.692 0.972 0.672 CB 1.783 181 residues pruned to eliminate duplicates Z: 158 126.105 2.521 1.019 0.696 0.949 0.631 CB 1.742 158 residues pruned to eliminate duplicates Z: 182 143.964 2.552 1.122 0.679 0.950 0.597 CB 1.763 182 residues pruned to eliminate duplicates Z: 182 149.476 2.563 1.102 0.686 0.961 0.674 CB 1.809 182 residues pruned to eliminate duplicates Z: 182 147.550 2.562 1.061 0.690 0.972 0.646 CB 1.795 182 residues pruned to eliminate duplicates Z: 182 152.586 2.572 1.123 0.681 0.972 0.635 CB 1.809 182 residues pruned to eliminate duplicates Z: 181 145.784 2.569 1.044 0.694 0.967 0.678 CB 1.793 181 residues pruned to eliminate duplicates Z: 142 124.859 2.535 1.145 0.693 0.957 0.667 CB 1.692 142 residues pruned to eliminate duplicates Z: 68 94.044 2.587 1.225 0.711 0.970 0.567 CB 1.698 68 residues pruned to eliminate duplicates Z: 122 113.167 2.512 1.069 0.694 0.959 0.678 CB 1.729 122 residues pruned to eliminate duplicates Z: 130 136.083 2.590 1.202 0.736 0.977 0.690 CB 1.740 130 residues pruned to eliminate duplicates Z: 134 119.545 2.558 1.065 0.667 0.940 0.609 CB 1.789 134 residues pruned to eliminate duplicates Z: 186 141.780 2.546 1.064 0.700 0.946 0.589 CB 1.747 186 residues pruned to eliminate duplicates Z: 181 141.711 2.550 1.059 0.688 0.956 0.656 CB 1.771 181 residues pruned to eliminate duplicates Z: 182 140.809 2.556 1.093 0.684 0.934 0.657 CB 1.770 182 residues pruned to eliminate duplicates Z: 141 130.717 2.551 1.233 0.690 0.950 0.636 CB 1.716 141 residues pruned to eliminate duplicates Z: 182 148.524 2.563 1.158 0.695 0.945 0.608 CB 1.768 182 residues pruned to eliminate duplicates Z: 119 121.822 2.525 1.176 0.714 0.975 0.619 CB 1.725 119 residues pruned to eliminate duplicates Z: 183 149.315 2.547 1.173 0.684 0.962 0.566 CB 1.756 183 residues pruned to eliminate duplicates Z: 137 126.289 2.550 1.089 0.666 0.971 0.596 CB 1.795 137 residues pruned to eliminate duplicates Z: 181 153.998 2.549 1.209 0.688 0.967 0.567 CB 1.775 181 residues pruned to eliminate duplicates Z: 172 148.765 2.574 1.177 0.718 0.947 0.585 CB 1.760 172 residues pruned to eliminate duplicates Z: 180 140.299 2.532 1.078 0.679 0.961 0.637 CB 1.759 180 residues pruned to eliminate duplicates Z: 181 149.194 2.573 1.097 0.680 0.972 0.561 CB 1.796 181 residues pruned to eliminate duplicates Z: 143 135.497 2.556 1.227 0.703 0.972 0.655 CB 1.709 143 residues pruned to eliminate duplicates Z: 179 140.287 2.534 1.122 0.684 0.949 0.618 CB 1.741 179 residues pruned to eliminate duplicates Z: 141 135.593 2.576 1.204 0.698 0.971 0.600 CB 1.734 141 residues pruned to eliminate duplicates Z: 231 166.776 2.543 1.136 0.720 0.948 0.652 CB 1.751 208 residues pruned to eliminate duplicates Z: 28 70.074 2.537 1.211 0.854 1.000 0.741 CB 1.776 28 residues pruned to eliminate duplicates Z: 155 130.412 2.552 1.108 0.672 0.948 0.565 CB 1.758 155 residues pruned to eliminate duplicates Z: 186 146.186 2.547 1.177 0.693 0.935 0.557 CB 1.737 186 residues pruned to eliminate duplicates Z: 142 142.006 2.567 1.292 0.706 0.979 0.617 CB 1.722 142 residues pruned to eliminate duplicates Z: 145 132.437 2.532 1.264 0.699 0.944 0.604 CB 1.700 145 residues pruned to eliminate duplicates Z: 184 148.739 2.559 1.160 0.693 0.956 0.623 CB 1.744 184 residues pruned to eliminate duplicates Z: 177 151.545 2.568 1.171 0.687 0.972 0.591 CB 1.777 177 residues pruned to eliminate duplicates Z: 143 140.416 2.556 1.283 0.705 0.993 0.641 CB 1.688 143 residues pruned to eliminate duplicates Z: 182 151.201 2.557 1.169 0.684 0.956 0.613 CB 1.791 182 residues pruned to eliminate duplicates Z: 182 149.482 2.561 1.193 0.694 0.945 0.597 CB 1.754 182 residues pruned to eliminate duplicates Z: 176 150.360 2.579 1.177 0.696 0.966 0.600 CB 1.753 176 residues pruned to eliminate duplicates Z: 126 123.218 2.548 1.203 0.677 0.984 0.600 CB 1.695 126 residues pruned to eliminate duplicates Z: 181 151.183 2.575 1.162 0.698 0.961 0.594 CB 1.758 181 residues pruned to eliminate duplicates Z: 121 115.210 2.506 1.166 0.698 0.967 0.575 CB 1.673 121 residues pruned to eliminate duplicates Z: 182 149.065 2.560 1.218 0.684 0.934 0.602 CB 1.765 182 residues pruned to eliminate duplicates Z: 148 133.486 2.544 1.207 0.693 0.966 0.612 CB 1.701 148 residues pruned to eliminate duplicates Z: 182 146.162 2.560 1.158 0.691 0.945 0.586 CB 1.747 182 residues pruned to eliminate duplicates Z: 181 156.352 2.556 1.230 0.704 0.961 0.561 CB 1.766 181 residues pruned to eliminate duplicates Z: 175 150.469 2.573 1.171 0.690 0.971 0.569 CB 1.767 175 residues pruned to eliminate duplicates Z: 130 126.783 2.569 1.195 0.723 0.930 0.535 CB 1.741 130 residues pruned to eliminate duplicates Z: 178 143.234 2.561 1.147 0.681 0.949 0.554 CB 1.746 178 residues pruned to eliminate duplicates Z: 182 143.282 2.549 1.170 0.672 0.934 0.536 CB 1.759 182 residues pruned to eliminate duplicates Z: 183 149.035 2.542 1.178 0.692 0.967 0.566 CB 1.731 183 residues pruned to eliminate duplicates Z: 180 143.706 2.540 1.170 0.667 0.944 0.547 CB 1.769 180 residues pruned to eliminate duplicates Z: 183 144.721 2.547 1.124 0.692 0.951 0.555 CB 1.750 183 residues pruned to eliminate duplicates Z: 131 140.560 2.588 1.330 0.740 0.962 0.631 CB 1.715 131 residues pruned to eliminate duplicates Z: 139 131.264 2.552 1.229 0.725 0.928 0.580 CB 1.729 139 residues pruned to eliminate duplicates Z: 33 52.512 2.488 1.190 0.581 0.938 0.531 CB 1.682 33 residues pruned to eliminate duplicates Z: 144 127.780 2.539 1.204 0.691 0.944 0.566 CB 1.698 144 residues pruned to eliminate duplicates Z: 178 153.223 2.564 1.183 0.692 0.966 0.633 CB 1.786 178 residues pruned to eliminate duplicates Z: 71 89.365 2.536 1.114 0.733 0.929 0.557 CB 1.741 71 residues pruned to eliminate duplicates Z: 183 153.657 2.546 1.206 0.704 0.967 0.566 CB 1.741 183 residues pruned to eliminate duplicates Z: 181 152.334 2.568 1.194 0.676 0.967 0.572 CB 1.773 181 residues pruned to eliminate duplicates Z: 182 153.707 2.558 1.161 0.698 0.978 0.691 CB 1.764 182 residues pruned to eliminate duplicates Z: 172 148.728 2.579 1.114 0.718 0.953 0.596 CB 1.798 172 residues pruned to eliminate duplicates Z: 145 133.783 2.560 1.161 0.701 0.972 0.590 CB 1.726 145 residues pruned to eliminate duplicates Z: 43 58.255 2.483 1.020 0.660 0.929 0.548 CB 1.663 43 residues pruned to eliminate duplicates Z: 185 141.957 2.546 1.106 0.690 0.940 0.571 CB 1.744 185 residues pruned to eliminate duplicates Z: 184 148.531 2.562 1.174 0.703 0.945 0.579 CB 1.734 184 residues pruned to eliminate duplicates Z: 185 142.223 2.536 1.117 0.681 0.951 0.565 CB 1.738 185 residues pruned to eliminate duplicates Z: 184 154.184 2.543 1.199 0.685 0.984 0.546 CB 1.748 184 residues pruned to eliminate duplicates Z: 135 137.900 2.576 1.250 0.740 0.970 0.619 CB 1.708 135 residues pruned to eliminate duplicates Z: 184 149.494 2.555 1.176 0.705 0.956 0.579 CB 1.725 184 residues pruned to eliminate duplicates Z: 181 144.233 2.564 1.144 0.692 0.939 0.528 CB 1.747 181 residues pruned to eliminate duplicates Z: 185 151.477 2.536 1.199 0.680 0.957 0.571 CB 1.774 185 residues pruned to eliminate duplicates Z: 182 152.355 2.563 1.172 0.695 0.961 0.635 CB 1.770 182 residues pruned to eliminate duplicates Z: 155 132.093 2.538 1.133 0.708 0.948 0.578 CB 1.718 155 residues pruned to eliminate duplicates Z: 171 154.060 2.594 1.177 0.718 0.971 0.582 CB 1.770 171 residues pruned to eliminate duplicates Z: 185 153.265 2.565 1.142 0.710 0.962 0.565 CB 1.766 185 residues pruned to eliminate duplicates Z: 157 135.263 2.538 1.180 0.717 0.942 0.526 CB 1.706 157 residues pruned to eliminate duplicates Z: 159 138.566 2.537 1.150 0.709 0.968 0.608 CB 1.726 159 residues pruned to eliminate duplicates Z: 185 145.627 2.550 1.104 0.704 0.951 0.554 CB 1.748 185 residues pruned to eliminate duplicates Z: 183 150.335 2.556 1.184 0.686 0.951 0.626 CB 1.772 183 residues pruned to eliminate duplicates Z: 182 142.441 2.546 1.131 0.684 0.950 0.569 CB 1.735 182 residues pruned to eliminate duplicates Z: 214 160.292 2.530 1.160 0.724 0.948 0.596 CB 1.731 214 residues pruned to eliminate duplicates Z: 172 148.267 2.551 1.212 0.720 0.947 0.503 CB 1.738 172 residues pruned to eliminate duplicates Z: 206 170.292 2.579 1.200 0.729 0.966 0.605 CB 1.766 206 residues pruned to eliminate duplicates Z: 43 71.043 2.555 1.095 0.702 0.905 0.548 CB 1.883 43 residues pruned to eliminate duplicates Z: 42 58.419 2.553 0.800 0.620 0.927 0.610 CB 1.913 42 residues pruned to eliminate duplicates Z: 172 149.897 2.582 1.222 0.714 0.924 0.591 CB 1.781 172 residues pruned to eliminate duplicates Z: 164 147.937 2.595 1.158 0.704 0.963 0.620 CB 1.784 164 residues pruned to eliminate duplicates Z: 184 148.113 2.556 1.140 0.695 0.956 0.552 CB 1.752 184 residues pruned to eliminate duplicates Z: 89 101.844 2.545 1.026 0.712 0.943 0.693 CB 1.841 89 residues pruned to eliminate duplicates Z: 73 84.082 2.541 0.974 0.643 0.958 0.569 CB 1.803 73 residues pruned to eliminate duplicates Z: 112 123.685 2.548 1.199 0.729 0.964 0.568 CB 1.769 112 residues pruned to eliminate duplicates Z: 179 151.720 2.569 1.195 0.686 0.961 0.607 CB 1.770 179 residues pruned to eliminate duplicates Z: 73 91.626 2.570 1.025 0.654 0.986 0.597 CB 1.823 73 residues pruned to eliminate duplicates Z: 44 68.972 2.553 0.905 0.666 0.977 0.512 CB 1.899 44 residues pruned to eliminate duplicates Z: 36 64.482 2.623 0.969 0.615 0.943 0.543 CB 2.007 36 residues pruned to eliminate duplicates Z: 182 155.462 2.583 1.171 0.702 0.961 0.685 CB 1.783 182 residues pruned to eliminate duplicates Z: 183 150.040 2.567 1.154 0.690 0.945 0.566 CB 1.789 183 residues pruned to eliminate duplicates Z: 184 158.181 2.572 1.220 0.697 0.973 0.574 CB 1.759 184 residues pruned to eliminate duplicates Z: 183 161.646 2.577 1.224 0.694 0.984 0.577 CB 1.781 183 residues pruned to eliminate duplicates Z: 171 161.776 2.591 1.184 0.732 0.994 0.612 CB 1.790 171 residues pruned to eliminate duplicates Z: 46 66.703 2.540 0.805 0.654 1.000 0.622 CB 1.880 46 residues pruned to eliminate duplicates Z: 185 152.168 2.551 1.161 0.694 0.973 0.592 CB 1.752 185 residues pruned to eliminate duplicates Z: 36 58.779 2.563 0.805 0.633 0.971 0.600 CB 1.952 36 residues pruned to eliminate duplicates Z: 184 158.349 2.574 1.175 0.703 0.978 0.634 CB 1.777 184 residues pruned to eliminate duplicates Z: 34 68.428 2.648 1.032 0.658 0.970 0.636 CB 1.970 34 residues pruned to eliminate duplicates Z: 184 157.448 2.573 1.173 0.691 0.984 0.639 CB 1.777 184 residues pruned to eliminate duplicates Z: 37 58.704 2.483 0.845 0.629 0.972 0.722 CA 1.945 37 residues pruned to eliminate duplicates Z: 181 147.101 2.537 1.221 0.690 0.956 0.533 CB 1.712 181 residues pruned to eliminate duplicates Z: 180 144.995 2.561 1.152 0.684 0.944 0.525 CB 1.759 180 residues pruned to eliminate duplicates Z: 184 153.650 2.560 1.131 0.699 0.984 0.552 CB 1.765 184 residues pruned to eliminate duplicates Z: 227 168.959 2.544 1.191 0.700 0.960 0.588 CB 1.751 227 residues pruned to eliminate duplicates Z: 93 98.592 2.489 1.037 0.713 0.935 0.707 CB 1.789 93 residues pruned to eliminate duplicates Z: 182 149.902 2.549 1.214 0.676 0.950 0.597 CB 1.767 182 residues pruned to eliminate duplicates Z: 70 75.455 2.438 0.975 0.657 0.942 0.623 CB 1.731 70 residues pruned to eliminate duplicates Z: 184 148.004 2.559 1.121 0.687 0.956 0.568 CB 1.776 184 residues pruned to eliminate duplicates Z: 92 97.965 2.492 0.909 0.726 0.967 0.659 CB 1.821 92 residues pruned to eliminate duplicates Z: 172 153.517 2.584 1.182 0.726 0.959 0.608 CB 1.770 172 residues pruned to eliminate duplicates Z: 183 155.245 2.559 1.175 0.693 0.973 0.610 CB 1.782 183 residues pruned to eliminate duplicates Z: 182 129.156 2.535 1.009 0.667 0.934 0.608 CB 1.729 182 residues pruned to eliminate duplicates Z: 183 136.869 2.540 1.011 0.673 0.967 0.659 CB 1.751 183 residues pruned to eliminate duplicates Z: 112 98.025 2.533 0.865 0.616 0.964 0.559 CB 1.831 112 residues pruned to eliminate duplicates Z: 81 80.171 2.511 0.852 0.652 0.975 0.738 CB 1.716 81 residues pruned to eliminate duplicates Z: 153 119.854 2.558 0.948 0.699 0.941 0.717 CB 1.730 153 residues pruned to eliminate duplicates Z: 183 155.448 2.559 1.181 0.694 0.978 0.626 CB 1.768 183 residues pruned to eliminate duplicates Z: 70 76.197 2.523 1.020 0.605 0.928 0.580 CB 1.757 70 residues pruned to eliminate duplicates Z: 182 152.607 2.558 1.190 0.701 0.950 0.646 CB 1.774 182 residues pruned to eliminate duplicates Z: 182 136.786 2.556 0.963 0.688 0.950 0.724 CB 1.795 182 residues pruned to eliminate duplicates Z: 183 138.509 2.543 1.107 0.674 0.929 0.593 CB 1.758 183 residues pruned to eliminate duplicates Z: 28 23.191 2.253 0.540 0.367 0.889 0.407 CB 1.670 28 residues pruned to eliminate duplicates Z: 134 105.842 2.464 0.968 0.644 0.947 0.617 CB 1.746 134 residues pruned to eliminate duplicates Z: 14 14.005 2.017 0.488 0.378 1.000 0.385 CB 1.475 14 residues pruned to eliminate duplicates Z: 12 14.162 2.179 0.484 0.367 1.000 0.364 CA 1.522 12 residues pruned to eliminate duplicates Z: 182 142.092 2.548 1.016 0.679 0.972 0.635 CB 1.793 152 residues pruned to eliminate duplicates Z: 6 11.762 2.228 0.699 0.477 1.000 0.400 CA 1.423 6 residues pruned to eliminate duplicates Z: 182 152.863 2.572 1.155 0.691 0.967 0.602 CB 1.781 182 residues pruned to eliminate duplicates Z: 185 133.454 2.523 0.962 0.671 0.951 0.636 CB 1.783 185 residues pruned to eliminate duplicates Z: 182 146.007 2.552 1.104 0.679 0.961 0.602 CB 1.783 182 residues pruned to eliminate duplicates Z: 56 77.061 2.581 1.061 0.673 0.945 0.673 CB 1.762 56 residues pruned to eliminate duplicates Z: 170 130.809 2.552 0.966 0.686 0.953 0.675 CB 1.775 170 residues pruned to eliminate duplicates Z: 130 126.869 2.566 1.080 0.746 0.961 0.698 CB 1.746 130 residues pruned to eliminate duplicates Z: 56 86.883 2.615 1.089 0.684 1.000 0.727 CB 1.811 56 residues pruned to eliminate duplicates Z: 132 131.403 2.608 1.050 0.733 0.977 0.763 CB 1.783 132 residues pruned to eliminate duplicates Z: 182 138.786 2.554 1.011 0.683 0.956 0.652 CB 1.777 182 residues pruned to eliminate duplicates Z: 103 97.173 2.561 0.901 0.626 0.971 0.627 CB 1.808 103 residues pruned to eliminate duplicates Z: 117 99.197 2.504 0.932 0.617 0.957 0.595 CB 1.781 117 residues pruned to eliminate duplicates Z: 181 130.630 2.540 0.947 0.683 0.950 0.694 CB 1.752 181 residues pruned to eliminate duplicates Z: 181 139.715 2.555 1.013 0.693 0.961 0.672 CB 1.766 181 residues pruned to eliminate duplicates Z: 71 75.995 2.503 1.064 0.593 0.943 0.571 CB 1.707 71 residues pruned to eliminate duplicates Z: 181 144.691 2.552 1.115 0.674 0.972 0.622 CB 1.751 181 residues pruned to eliminate duplicates Z: 152 127.500 2.535 0.970 0.687 0.980 0.755 CB 1.786 152 residues pruned to eliminate duplicates Z: 105 101.463 2.573 1.006 0.646 0.952 0.663 CB 1.767 105 residues pruned to eliminate duplicates Z: 162 129.008 2.523 0.954 0.696 0.969 0.665 CB 1.780 162 residues pruned to eliminate duplicates Z: 120 105.341 2.545 0.981 0.631 0.950 0.647 CB 1.782 120 residues pruned to eliminate duplicates Z: 179 137.521 2.544 1.015 0.691 0.949 0.702 CB 1.778 179 residues pruned to eliminate duplicates Z: 129 133.967 2.587 1.165 0.726 0.969 0.781 CB 1.780 66 residues pruned to eliminate duplicates Z: 22 57.653 2.525 1.213 0.863 0.952 0.762 CB 1.734 22 residues pruned to eliminate duplicates Z: 121 108.557 2.548 0.948 0.656 0.958 0.675 CB 1.802 121 residues pruned to eliminate duplicates Z: 65 88.017 2.595 1.022 0.713 0.969 0.656 CB 1.784 65 residues pruned to eliminate duplicates Z: 180 143.343 2.542 1.115 0.661 0.955 0.654 CB 1.796 180 residues pruned to eliminate duplicates Z: 182 152.566 2.568 1.137 0.682 0.967 0.669 CB 1.808 182 residues pruned to eliminate duplicates Z: 113 103.250 2.540 0.968 0.619 0.955 0.589 CB 1.825 113 residues pruned to eliminate duplicates Z: 50 75.933 2.399 1.258 0.769 0.959 0.735 CB 1.646 Z: 20 32.600 2.227 0.888 0.725 0.947 0.632 CB 1.534 20 residues pruned to eliminate duplicates Z: 231 168.624 2.538 1.127 0.711 0.961 0.639 CB 1.769 281 residues pruned to eliminate duplicates Z: 229 165.947 2.544 1.156 0.702 0.947 0.579 CB 1.759 229 residues pruned to eliminate duplicates Z: 230 172.435 2.557 1.178 0.710 0.961 0.624 CB 1.761 230 residues pruned to eliminate duplicates Z: 73 82.671 2.377 0.976 0.752 0.944 0.653 CB 1.754 73 residues pruned to eliminate duplicates Z: 56 66.658 2.503 0.967 0.649 0.927 0.455 CB 1.714 56 residues pruned to eliminate duplicates Z: 36 54.943 2.441 1.067 0.763 0.943 0.686 CB 1.546 Z: 20 35.294 2.259 1.153 0.757 0.895 0.526 CB 1.480 22 residues pruned to eliminate duplicates Z: 17 39.570 2.340 1.374 0.824 0.938 0.688 CB 1.434 19 residues pruned to eliminate duplicates Z: 18 42.341 2.361 1.161 0.869 1.000 0.529 CB 1.470 18 residues pruned to eliminate duplicates Z: 19 38.927 2.254 1.106 0.870 1.000 0.611 CB 1.411 19 residues pruned to eliminate duplicates Z: 20 41.839 2.276 1.102 0.779 1.000 0.526 CB 1.569 20 residues pruned to eliminate duplicates Z: 74 78.338 2.365 1.026 0.730 0.904 0.753 CB 1.721 106 residues pruned to eliminate duplicates Z: 49 74.552 2.402 1.105 0.777 0.958 0.729 CB 1.739 Z: 18 40.286 2.367 1.232 0.808 0.941 0.529 CB 1.501 18 residues pruned to eliminate duplicates Z: 53 71.042 2.329 1.179 0.718 0.962 0.654 CB 1.657 53 residues pruned to eliminate duplicates Z: 19 37.520 2.337 1.256 0.733 0.944 0.333 CB 1.441 19 residues pruned to eliminate duplicates Z: 45 87.502 2.522 1.226 0.820 0.977 0.727 CB 1.821 47 residues pruned to eliminate duplicates Z: 27 64.763 2.484 1.019 0.853 1.000 0.731 CA 1.871 27 residues pruned to eliminate duplicates Z: 47 80.569 2.470 1.161 0.787 0.978 0.609 CB 1.767 47 residues pruned to eliminate duplicates Z: 229 180.182 2.565 1.203 0.715 0.987 0.592 CB 1.762 276 residues pruned to eliminate duplicates Z: 50 74.981 2.422 1.181 0.757 0.939 0.551 CB 1.718 Z: 25 77.031 2.595 1.160 0.943 0.958 0.708 CB 2.029 25 residues pruned to eliminate duplicates Z: 119 125.637 2.516 1.199 0.699 0.975 0.551 CB 1.789 169 residues pruned to eliminate duplicates Z: 229 164.803 2.542 1.143 0.702 0.956 0.548 CB 1.743 229 residues pruned to eliminate duplicates Z: 46 82.339 2.491 1.172 0.811 0.978 0.622 CB 1.769 Z: 25 78.129 2.588 1.215 0.931 0.958 0.667 CB 2.029 25 residues pruned to eliminate duplicates Z: 45 93.412 2.521 1.348 0.814 1.000 0.773 CB 1.811 46 residues pruned to eliminate duplicates Z: 26 72.285 2.531 1.157 0.928 0.960 0.680 CA 1.932 26 residues pruned to eliminate duplicates Z: 49 79.082 2.404 1.290 0.766 0.938 0.688 CB 1.747 49 residues pruned to eliminate duplicates Z: 232 178.533 2.528 1.231 0.715 0.983 0.597 CB 1.745 277 residues pruned to eliminate duplicates Z: 228 176.734 2.549 1.216 0.716 0.974 0.586 CB 1.754 228 residues pruned to eliminate duplicates Z: 46 87.033 2.489 1.362 0.798 0.978 0.578 CB 1.738 Z: 27 75.113 2.480 1.392 0.898 0.962 0.577 CA 1.848 27 residues pruned to eliminate duplicates Z: 45 82.351 2.518 1.300 0.801 0.977 0.659 CB 1.686 45 residues pruned to eliminate duplicates Z: 48 75.107 2.454 1.254 0.767 0.957 0.617 CB 1.633 47 residues pruned to eliminate duplicates Z: 26 95.344 2.547 1.659 0.946 1.000 0.840 CA 1.947 27 residues pruned to eliminate duplicates Z: 26 80.558 2.534 1.443 0.911 0.960 0.560 CB 1.921 26 residues pruned to eliminate duplicates Z: 216 164.436 2.536 1.171 0.706 0.967 0.619 CB 1.745 262 residues pruned to eliminate duplicates Z: 229 171.543 2.545 1.209 0.706 0.956 0.561 CB 1.753 229 residues pruned to eliminate duplicates Z: 87 99.828 2.449 1.159 0.694 0.965 0.570 CB 1.767 87 residues pruned to eliminate duplicates 408 residues left after pruning, divided into chains as follows: A: 47 B: 180 C: 181 CC for partial structure against native data = 40.73 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.795, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.924, Connect. = 0.791 for dens.mod. cycle 2 = 0.300, Contrast = 1.123, Connect. = 0.819 for dens.mod. cycle 3 = 0.300, Contrast = 1.175, Connect. = 0.823 for dens.mod. cycle 4 = 0.300, Contrast = 1.218, Connect. = 0.826 for dens.mod. cycle 5 = 0.300, Contrast = 1.242, Connect. = 0.828 for dens.mod. cycle 6 = 0.300, Contrast = 1.261, Connect. = 0.830 for dens.mod. cycle 7 = 0.300, Contrast = 1.272, Connect. = 0.832 for dens.mod. cycle 8 = 0.300, Contrast = 1.280, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.285, Connect. = 0.834 for dens.mod. cycle 10 TimeTaking 340.2