null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:07:19 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.ins Phases from ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.phi Native data from ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.hkl Listing output to ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.lst Phases output to ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.phs Poly-Ala trace output to ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 34461 Reflections read from file ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.phi 34461 Reflections read from file ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.hkl 34461 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000150h^2 +0.000150k^2 -0.000011l^2 +0.000000kl +0.000000hl +0.000150hk 96 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 87 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.728 = 0.300, Contrast = 0.463, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.758 for dens.mod. cycle 2 = 0.300, Contrast = 0.621, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.641, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.653, Connect. = 0.787 for dens.mod. cycle 5 = 0.300, Contrast = 0.661, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.667, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.670, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.674, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.675, Connect. = 0.794 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2476 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 573 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 45.259 2.073 1.037 0.939 1.000 0.714 CB 1.407 B: 28 30.610 1.893 0.598 0.889 1.000 0.889 CA 1.402 C: 24 38.536 2.044 0.979 0.938 1.000 0.652 CB 1.382 D: 29 43.676 2.074 0.847 0.936 1.000 0.893 CB 1.500 29 residues pruned to eliminate duplicates E: 30 54.684 2.069 1.277 0.951 1.000 0.931 CA 1.486 F: 30 40.821 2.044 0.904 0.949 1.000 0.759 CB 1.344 G: 22 38.082 2.075 0.935 0.941 1.000 0.857 CB 1.437 22 residues pruned to eliminate duplicates H: 28 39.859 1.950 0.894 0.926 1.000 0.741 CA 1.456 I: 36 35.609 1.812 0.777 0.906 1.000 0.743 CB 1.330 J: 30 46.309 2.049 1.038 0.937 0.966 0.828 CA 1.484 30 residues pruned to eliminate duplicates K: 30 41.000 1.993 0.769 0.920 1.000 0.793 CA 1.521 24 residues pruned to eliminate duplicates L: 29 48.398 2.049 1.056 0.915 0.964 0.679 CB 1.592 30 residues pruned to eliminate duplicates M: 27 42.221 1.951 1.018 0.937 1.000 0.692 CA 1.464 27 residues pruned to eliminate duplicates N: 29 46.272 2.082 0.959 0.942 1.000 0.929 CB 1.487 29 residues pruned to eliminate duplicates O: 30 52.791 2.102 1.163 0.943 1.000 0.862 CA 1.494 30 residues pruned to eliminate duplicates P: 29 49.400 2.097 1.059 0.944 1.000 0.821 CB 1.497 29 residues pruned to eliminate duplicates Q: 35 43.471 2.016 0.780 0.942 1.000 0.676 CA 1.441 R: 24 29.610 1.919 0.903 0.930 1.000 0.870 CA 1.182 24 residues pruned to eliminate duplicates S: 37 51.139 1.943 1.122 0.953 1.000 0.917 CA 1.422 T: 36 35.904 1.912 0.619 0.929 1.000 0.886 CA 1.372 31 residues pruned to eliminate duplicates U: 26 35.399 1.969 0.770 0.908 1.000 0.880 CA 1.443 28 residues pruned to eliminate duplicates V: 52 48.970 1.993 1.024 0.731 0.961 0.765 CB 1.437 50 residues pruned to eliminate duplicates W: 23 34.510 2.045 0.887 0.926 0.955 0.818 CB 1.400 23 residues pruned to eliminate duplicates X: 30 43.454 2.038 0.966 0.913 0.966 0.862 CB 1.476 30 residues pruned to eliminate duplicates Y: 30 32.105 1.844 0.680 0.891 0.966 0.828 CA 1.433 30 residues pruned to eliminate duplicates Z: 11 13.356 1.897 0.168 0.925 1.000 1.000 CA 1.337 11 residues pruned to eliminate duplicates Z: 35 43.616 1.963 0.842 0.952 1.000 0.824 CB 1.425 35 residues pruned to eliminate duplicates Z: 30 43.696 2.070 0.894 0.934 1.000 0.793 CB 1.443 29 residues pruned to eliminate duplicates Z: 31 42.938 2.013 0.836 0.946 1.000 0.867 CA 1.466 31 residues pruned to eliminate duplicates Z: 21 34.857 1.979 1.110 0.915 0.900 0.650 CA 1.466 21 residues pruned to eliminate duplicates Z: 30 29.983 1.983 0.432 0.950 1.000 0.966 CA 1.352 31 residues pruned to eliminate duplicates Z: 30 45.054 2.006 0.938 0.916 1.000 0.828 CB 1.520 30 residues pruned to eliminate duplicates Z: 25 37.114 1.995 0.984 0.930 1.000 0.667 CB 1.338 25 residues pruned to eliminate duplicates Z: 24 34.889 2.056 0.818 0.934 1.000 0.826 CB 1.358 24 residues pruned to eliminate duplicates Z: 38 47.125 1.894 1.054 0.917 0.973 0.784 CB 1.444 38 residues pruned to eliminate duplicates Z: 31 45.379 2.031 0.905 0.942 1.000 0.767 CB 1.485 31 residues pruned to eliminate duplicates Z: 34 33.050 1.966 0.778 0.922 0.848 0.788 CA 1.364 34 residues pruned to eliminate duplicates Z: 31 40.759 2.048 0.847 0.947 0.967 0.700 CB 1.407 32 residues pruned to eliminate duplicates Z: 38 46.390 1.946 1.092 0.941 0.919 0.676 CB 1.415 36 residues pruned to eliminate duplicates Z: 30 43.408 2.060 0.914 0.939 1.000 0.931 CA 1.421 30 residues pruned to eliminate duplicates Z: 28 33.342 1.921 0.653 0.931 1.000 0.889 CB 1.412 28 residues pruned to eliminate duplicates Z: 30 52.888 2.076 1.198 0.936 1.000 0.897 CB 1.499 30 residues pruned to eliminate duplicates Z: 38 42.238 1.944 0.906 0.926 0.919 0.784 CA 1.431 38 residues pruned to eliminate duplicates Z: 30 54.575 2.045 1.438 0.945 1.000 0.655 CB 1.406 30 residues pruned to eliminate duplicates Z: 24 36.324 2.024 0.719 0.948 1.000 0.913 CB 1.503 23 residues pruned to eliminate duplicates Z: 29 34.000 1.879 0.806 0.913 0.964 0.786 CB 1.390 29 residues pruned to eliminate duplicates Z: 27 33.595 1.976 0.608 0.915 1.000 0.962 CA 1.466 27 residues pruned to eliminate duplicates Z: 36 47.651 2.011 0.986 0.935 0.971 0.743 CB 1.447 35 residues pruned to eliminate duplicates Z: 37 30.631 1.773 0.572 0.928 0.972 0.806 CB 1.319 37 residues pruned to eliminate duplicates Z: 26 40.702 2.040 1.000 0.934 0.960 0.840 CB 1.450 26 residues pruned to eliminate duplicates Z: 30 48.705 2.092 1.150 0.931 0.966 0.897 CA 1.455 30 residues pruned to eliminate duplicates Z: 39 40.891 1.887 0.768 0.931 1.000 0.921 CA 1.389 38 residues pruned to eliminate duplicates Z: 36 36.179 1.773 1.019 0.931 1.000 0.657 CB 1.194 37 residues pruned to eliminate duplicates Z: 23 35.692 2.052 1.266 0.938 0.909 0.500 CB 1.252 23 residues pruned to eliminate duplicates Z: 58 51.990 1.899 0.917 0.917 0.965 0.807 CA 1.383 37 residues pruned to eliminate duplicates Z: 29 27.746 1.791 0.507 0.943 1.000 1.000 CA 1.347 Z: 35 38.625 1.949 0.702 0.941 1.000 0.882 CB 1.385 34 residues pruned to eliminate duplicates Z: 30 44.139 2.019 0.908 0.939 1.000 0.828 CB 1.478 30 residues pruned to eliminate duplicates Z: 33 42.490 2.016 0.974 0.952 0.969 0.750 CB 1.342 35 residues pruned to eliminate duplicates Z: 29 49.067 2.083 1.002 0.948 1.000 0.857 CB 1.536 29 residues pruned to eliminate duplicates Z: 28 37.310 1.936 0.800 0.913 1.000 0.778 CA 1.458 28 residues pruned to eliminate duplicates Z: 37 34.249 1.780 0.921 0.914 0.944 0.639 CB 1.250 21 residues pruned to eliminate duplicates Z: 30 30.751 1.785 0.662 0.913 1.000 0.862 CA 1.362 30 residues pruned to eliminate duplicates Z: 36 46.662 2.009 1.070 0.936 0.943 0.600 CB 1.401 36 residues pruned to eliminate duplicates Z: 63 57.217 1.935 0.991 0.846 0.968 0.710 CA 1.448 101 residues pruned to eliminate duplicates Z: 31 32.607 1.920 0.543 0.909 1.000 0.900 CA 1.427 31 residues pruned to eliminate duplicates Z: 28 40.085 1.958 0.896 0.931 1.000 0.852 CA 1.452 28 residues pruned to eliminate duplicates Z: 26 28.820 1.805 0.803 0.918 0.960 0.880 CB 1.302 Z: 26 25.943 1.864 0.579 0.882 0.960 0.840 CB 1.329 26 residues pruned to eliminate duplicates Z: 30 54.867 2.076 1.247 0.945 1.000 0.862 CA 1.512 30 residues pruned to eliminate duplicates Z: 30 46.793 1.997 1.085 0.947 1.000 0.655 CB 1.443 30 residues pruned to eliminate duplicates Z: 29 32.065 1.757 1.085 0.938 1.000 0.536 CB 1.150 Z: 22 28.178 1.864 0.850 0.898 0.952 0.762 CB 1.339 22 residues pruned to eliminate duplicates Z: 37 47.403 1.927 0.966 0.924 1.000 0.722 CA 1.465 37 residues pruned to eliminate duplicates Z: 27 27.527 1.854 0.750 0.909 0.962 0.692 CB 1.228 Z: 29 31.926 1.919 0.720 0.904 0.964 0.857 CA 1.351 29 residues pruned to eliminate duplicates Z: 38 41.742 1.879 0.916 0.922 0.946 0.838 CA 1.417 39 residues pruned to eliminate duplicates Z: 36 36.807 1.812 0.834 0.933 1.000 0.714 CB 1.307 36 residues pruned to eliminate duplicates Z: 29 31.347 1.866 0.636 0.895 1.000 0.821 CB 1.391 29 residues pruned to eliminate duplicates Z: 26 38.777 1.981 0.970 0.946 1.000 0.840 CA 1.374 26 residues pruned to eliminate duplicates Z: 37 50.617 1.965 1.212 0.945 0.972 0.611 CB 1.382 38 residues pruned to eliminate duplicates Z: 38 45.603 1.920 0.976 0.906 1.000 0.838 CA 1.405 38 residues pruned to eliminate duplicates Z: 30 38.910 2.012 0.762 0.904 0.966 0.897 CB 1.504 30 residues pruned to eliminate duplicates Z: 30 53.295 2.068 1.201 0.943 1.000 0.759 CA 1.508 30 residues pruned to eliminate duplicates Z: 7 2.862 1.502 0.062 0.302 0.833 0.667 N 1.096 Z: 26 30.939 1.805 0.774 0.922 1.000 0.760 CB 1.359 26 residues pruned to eliminate duplicates Z: 29 29.040 1.791 0.662 0.908 0.964 0.821 CA 1.357 29 residues pruned to eliminate duplicates Z: 30 40.356 2.037 0.925 0.946 1.000 0.966 CA 1.323 30 residues pruned to eliminate duplicates Z: 35 37.390 1.926 1.194 0.884 0.853 0.441 CB 1.286 34 residues pruned to eliminate duplicates Z: 34 42.368 1.987 0.991 0.951 0.970 0.758 CB 1.325 33 residues pruned to eliminate duplicates Z: 30 45.964 2.071 0.952 0.952 1.000 0.931 CA 1.454 30 residues pruned to eliminate duplicates Z: 30 51.271 2.060 1.159 0.926 1.000 0.931 CA 1.501 30 residues pruned to eliminate duplicates Z: 36 39.218 1.935 0.754 0.954 1.000 0.686 CB 1.344 36 residues pruned to eliminate duplicates Z: 30 53.554 2.093 1.203 0.952 1.000 0.931 CA 1.485 30 residues pruned to eliminate duplicates Z: 30 40.291 2.022 0.732 0.932 1.000 0.828 CB 1.491 30 residues pruned to eliminate duplicates Z: 35 39.360 1.876 0.828 0.935 0.971 0.794 CB 1.414 27 residues pruned to eliminate duplicates Z: 18 28.236 1.970 0.925 0.939 1.000 0.706 CB 1.255 18 residues pruned to eliminate duplicates Z: 27 25.453 1.790 0.493 0.946 1.000 0.846 CB 1.292 27 residues pruned to eliminate duplicates Z: 30 50.972 2.070 1.196 0.945 1.000 0.862 CA 1.441 30 residues pruned to eliminate duplicates Z: 23 25.651 2.061 0.347 0.948 1.000 0.955 CA 1.360 23 residues pruned to eliminate duplicates Z: 23 26.659 1.864 0.643 0.913 1.000 0.955 CB 1.314 23 residues pruned to eliminate duplicates Z: 31 33.604 1.815 0.946 0.917 1.000 0.767 CB 1.227 31 residues pruned to eliminate duplicates Z: 31 45.096 1.956 1.054 0.935 1.000 0.767 CB 1.428 30 residues pruned to eliminate duplicates Z: 30 51.491 2.072 1.139 0.942 1.000 0.897 CA 1.496 30 residues pruned to eliminate duplicates Z: 20 20.965 1.811 0.631 0.931 0.895 0.895 CA 1.272 20 residues pruned to eliminate duplicates Z: 35 31.301 1.770 0.947 0.892 0.882 0.676 CB 1.269 35 residues pruned to eliminate duplicates Z: 22 35.835 2.023 0.920 0.800 1.000 0.571 CB 1.548 22 residues pruned to eliminate duplicates Z: 22 36.275 2.107 0.698 0.916 1.000 0.952 CB 1.563 22 residues pruned to eliminate duplicates Z: 29 58.762 2.105 1.300 0.959 1.000 0.821 CB 1.573 29 residues pruned to eliminate duplicates Z: 28 27.214 1.906 0.671 0.869 0.963 0.593 CB 1.247 27 residues pruned to eliminate duplicates Z: 27 38.456 1.973 0.977 0.931 0.962 0.923 CA 1.405 27 residues pruned to eliminate duplicates Z: 18 26.151 1.883 0.781 0.872 0.882 0.882 CA 1.563 18 residues pruned to eliminate duplicates Z: 27 35.595 1.981 0.824 0.930 1.000 0.885 CA 1.351 27 residues pruned to eliminate duplicates Z: 22 37.513 2.055 1.006 0.935 0.952 0.714 CA 1.452 22 residues pruned to eliminate duplicates Z: 29 28.847 1.787 0.515 0.940 1.000 0.929 CB 1.398 29 residues pruned to eliminate duplicates Z: 29 31.513 1.758 0.885 0.932 1.000 0.786 CB 1.255 29 residues pruned to eliminate duplicates Z: 19 28.111 1.898 0.809 0.946 1.000 0.778 CB 1.335 19 residues pruned to eliminate duplicates Z: 30 44.175 1.992 0.945 0.922 1.000 0.793 CB 1.489 30 residues pruned to eliminate duplicates Z: 30 51.727 2.070 1.122 0.932 1.000 0.793 CA 1.527 30 residues pruned to eliminate duplicates Z: 38 46.639 1.878 1.081 0.920 0.973 0.730 CB 1.420 38 residues pruned to eliminate duplicates Z: 21 31.867 1.886 0.947 0.891 1.000 0.900 CB 1.395 21 residues pruned to eliminate duplicates Z: 29 52.634 2.101 1.164 0.955 1.000 0.964 CA 1.504 29 residues pruned to eliminate duplicates Z: 37 48.031 1.965 1.204 0.939 0.944 0.417 CB 1.360 37 residues pruned to eliminate duplicates Z: 36 32.229 1.782 0.888 0.915 0.943 0.543 CB 1.214 36 residues pruned to eliminate duplicates Z: 30 30.862 1.769 0.746 0.912 1.000 0.759 CB 1.314 30 residues pruned to eliminate duplicates Z: 24 39.242 1.960 1.156 0.910 1.000 0.565 CB 1.374 24 residues pruned to eliminate duplicates Z: 30 31.108 1.748 0.891 0.914 1.000 0.793 CB 1.236 30 residues pruned to eliminate duplicates Z: 35 29.958 1.924 0.350 0.956 1.000 0.971 CA 1.358 35 residues pruned to eliminate duplicates Z: 28 24.813 1.764 0.639 0.872 0.926 0.778 CA 1.300 Z: 24 34.321 2.033 0.858 0.947 0.913 0.783 CA 1.434 24 residues pruned to eliminate duplicates Z: 16 22.007 1.862 0.473 0.894 1.000 0.867 CA 1.486 16 residues pruned to eliminate duplicates Z: 27 37.739 1.980 0.876 0.928 1.000 0.808 CA 1.395 27 residues pruned to eliminate duplicates Z: 24 37.382 2.067 0.763 0.933 1.000 0.913 CB 1.492 24 residues pruned to eliminate duplicates Z: 26 25.168 1.687 0.783 0.879 0.960 0.760 CB 1.264 Z: 22 23.428 1.708 0.678 0.898 0.952 0.905 CB 1.340 22 residues pruned to eliminate duplicates Z: 30 44.507 2.027 1.007 0.931 0.966 0.862 CB 1.471 30 residues pruned to eliminate duplicates Z: 29 46.299 2.023 0.988 0.939 1.000 0.714 CB 1.512 29 residues pruned to eliminate duplicates Z: 21 34.394 1.992 0.903 0.915 0.950 0.750 CB 1.508 22 residues pruned to eliminate duplicates Z: 25 27.596 1.794 0.752 0.946 1.000 0.875 CA 1.239 25 residues pruned to eliminate duplicates Z: 30 45.231 2.074 0.965 0.955 1.000 0.966 CA 1.417 30 residues pruned to eliminate duplicates Z: 22 27.024 1.852 0.610 0.945 1.000 0.810 CB 1.369 22 residues pruned to eliminate duplicates Z: 37 31.317 1.770 0.710 0.922 0.972 0.611 CB 1.248 37 residues pruned to eliminate duplicates Z: 29 31.777 1.807 0.732 0.944 1.000 0.821 CB 1.328 29 residues pruned to eliminate duplicates Z: 21 38.672 1.981 1.252 0.907 0.950 0.600 CB 1.450 21 residues pruned to eliminate duplicates Z: 29 41.833 2.055 0.746 0.939 1.000 0.857 CB 1.531 29 residues pruned to eliminate duplicates Z: 37 34.276 1.768 0.888 0.928 0.972 0.611 CB 1.233 36 residues pruned to eliminate duplicates Z: 74 60.168 1.868 0.913 0.932 0.986 0.890 CB 1.396 109 residues pruned to eliminate duplicates Z: 13 11.565 1.582 0.773 0.910 0.917 0.667 CB 0.921 Z: 30 41.384 2.059 0.800 0.934 1.000 0.897 CB 1.446 30 residues pruned to eliminate duplicates Z: 25 27.031 1.809 0.621 0.924 1.000 0.792 CA 1.322 25 residues pruned to eliminate duplicates Z: 30 34.918 1.978 0.732 0.882 0.931 0.793 CA 1.470 30 residues pruned to eliminate duplicates Z: 27 32.280 1.840 1.159 0.926 0.885 0.462 CB 1.263 Z: 31 40.803 1.939 1.204 0.939 1.000 0.733 CB 1.211 31 residues pruned to eliminate duplicates Z: 26 27.769 1.768 0.822 0.914 0.960 0.760 CB 1.270 26 residues pruned to eliminate duplicates Z: 29 32.443 1.788 0.835 0.941 1.000 0.821 CB 1.296 29 residues pruned to eliminate duplicates Z: 27 30.609 1.967 0.616 0.930 0.962 0.885 CA 1.373 27 residues pruned to eliminate duplicates Z: 36 33.071 1.827 0.808 0.929 0.943 0.829 CB 1.256 27 residues pruned to eliminate duplicates Z: 36 27.635 1.942 0.474 0.929 0.971 0.943 CA 1.175 36 residues pruned to eliminate duplicates Z: 16 23.264 1.764 1.010 0.922 0.933 0.600 CB 1.276 16 residues pruned to eliminate duplicates Z: 30 42.318 1.992 0.838 0.906 1.000 0.724 CB 1.527 30 residues pruned to eliminate duplicates Z: 22 23.994 1.732 0.700 0.841 1.000 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 31 40.229 2.002 1.122 0.926 0.967 0.567 CB 1.254 31 residues pruned to eliminate duplicates Z: 28 30.663 1.804 0.752 0.947 1.000 0.667 CB 1.290 28 residues pruned to eliminate duplicates Z: 24 29.884 2.056 0.584 0.938 1.000 0.913 CA 1.330 24 residues pruned to eliminate duplicates Z: 36 54.051 1.930 1.291 0.927 1.000 0.714 CB 1.448 36 residues pruned to eliminate duplicates Z: 26 28.209 1.805 0.706 0.895 1.000 0.840 CB 1.314 26 residues pruned to eliminate duplicates Z: 18 23.952 1.933 0.778 0.900 0.941 0.882 CB 1.282 18 residues pruned to eliminate duplicates Z: 24 25.867 1.760 0.632 0.933 1.000 1.000 CB 1.310 23 residues pruned to eliminate duplicates Z: 57 45.192 1.927 0.964 0.766 0.911 0.643 CB 1.384 53 residues pruned to eliminate duplicates Z: 36 35.045 1.791 0.801 0.905 0.971 0.657 CB 1.345 36 residues pruned to eliminate duplicates Z: 14 15.670 1.770 0.360 0.937 1.000 1.000 CA 1.257 14 residues pruned to eliminate duplicates Z: 27 29.579 1.775 0.705 0.906 1.000 0.885 CB 1.363 26 residues pruned to eliminate duplicates Z: 23 25.114 1.783 0.795 0.855 0.955 0.773 CA 1.293 23 residues pruned to eliminate duplicates Z: 18 22.647 1.817 0.425 0.921 1.000 0.882 CA 1.492 18 residues pruned to eliminate duplicates Z: 35 33.671 1.863 0.629 0.921 1.000 0.853 CB 1.339 35 residues pruned to eliminate duplicates Z: 38 55.282 1.921 1.290 0.926 1.000 0.784 CB 1.448 37 residues pruned to eliminate duplicates Z: 30 51.166 2.081 1.153 0.936 1.000 0.931 CA 1.477 30 residues pruned to eliminate duplicates Z: 27 34.815 1.971 0.808 0.926 1.000 0.923 CA 1.344 27 residues pruned to eliminate duplicates Z: 34 30.201 1.845 0.497 0.937 1.000 0.939 CA 1.325 34 residues pruned to eliminate duplicates Z: 35 33.830 1.846 0.834 0.930 0.941 0.735 CB 1.273 36 residues pruned to eliminate duplicates Z: 29 42.899 2.089 0.868 0.958 1.000 1.000 CA 1.425 29 residues pruned to eliminate duplicates Z: 31 40.442 1.991 0.991 0.918 1.000 0.800 CB 1.314 31 residues pruned to eliminate duplicates Z: 38 34.246 1.911 0.658 0.897 1.000 0.865 CA 1.272 38 residues pruned to eliminate duplicates Z: 28 31.515 1.803 0.703 0.928 1.000 0.926 CA 1.384 28 residues pruned to eliminate duplicates Z: 29 45.590 2.088 1.130 0.926 0.964 0.893 CA 1.409 29 residues pruned to eliminate duplicates Z: 38 44.864 1.913 0.956 0.930 1.000 0.892 CA 1.379 38 residues pruned to eliminate duplicates Z: 20 21.042 1.700 0.630 0.891 0.947 0.789 CB 1.321 20 residues pruned to eliminate duplicates Z: 25 27.748 1.754 0.811 0.881 0.958 0.792 CA 1.348 25 residues pruned to eliminate duplicates Z: 33 44.481 2.014 1.099 0.961 1.000 0.750 CB 1.274 34 residues pruned to eliminate duplicates Z: 38 50.542 1.899 1.131 0.919 0.973 0.703 CA 1.487 38 residues pruned to eliminate duplicates Z: 21 34.729 1.943 1.030 0.897 0.950 0.850 CA 1.484 21 residues pruned to eliminate duplicates Z: 6 4.960 1.624 0.354 0.387 0.800 0.400 CB 1.422 Z: 30 33.414 1.762 0.840 0.919 1.000 0.793 CB 1.349 29 residues pruned to eliminate duplicates Z: 31 34.811 1.874 0.916 0.928 0.967 0.800 CA 1.282 31 residues pruned to eliminate duplicates Z: 29 35.695 1.776 1.109 0.956 1.000 0.714 CB 1.237 30 residues pruned to eliminate duplicates Z: 18 23.568 1.914 0.735 0.848 1.000 0.647 CB 1.277 18 residues pruned to eliminate duplicates Z: 29 43.136 2.061 0.863 0.932 1.000 0.786 CB 1.483 29 residues pruned to eliminate duplicates Z: 25 20.284 1.767 0.495 0.878 0.917 0.792 CA 1.241 25 residues pruned to eliminate duplicates Z: 30 31.093 1.702 1.070 0.900 1.000 0.517 CB 1.171 30 residues pruned to eliminate duplicates Z: 31 38.709 2.007 0.823 0.915 1.000 0.867 CA 1.365 31 residues pruned to eliminate duplicates Z: 24 29.331 2.037 0.834 0.709 1.000 0.696 CB 1.353 24 residues pruned to eliminate duplicates Z: 68 53.300 1.858 0.898 0.912 0.955 0.687 CB 1.369 103 residues pruned to eliminate duplicates Z: 28 28.593 1.782 0.723 0.901 0.963 0.852 CA 1.329 28 residues pruned to eliminate duplicates Z: 39 41.212 1.856 0.853 0.888 1.000 0.816 CA 1.400 39 residues pruned to eliminate duplicates Z: 31 43.577 2.005 1.017 0.908 1.000 0.867 CB 1.398 31 residues pruned to eliminate duplicates Z: 28 21.600 1.770 0.417 0.894 0.963 0.852 CA 1.235 28 residues pruned to eliminate duplicates Z: 30 30.423 1.766 0.683 0.893 1.000 0.759 CB 1.364 30 residues pruned to eliminate duplicates Z: 29 45.754 2.081 0.954 0.946 1.000 0.893 CB 1.471 29 residues pruned to eliminate duplicates Z: 31 24.681 1.580 0.758 0.917 0.967 0.833 CB 1.184 26 residues pruned to eliminate duplicates Z: 24 28.837 1.805 0.928 0.916 0.957 0.783 CB 1.276 24 residues pruned to eliminate duplicates Z: 26 27.924 1.804 0.772 0.931 0.960 0.880 CA 1.272 26 residues pruned to eliminate duplicates Z: 31 42.346 2.003 0.853 0.922 1.000 0.867 CB 1.465 31 residues pruned to eliminate duplicates Z: 22 20.372 1.817 0.580 0.916 0.952 0.905 CA 1.148 22 residues pruned to eliminate duplicates Z: 27 34.051 1.964 0.853 0.894 1.000 0.923 CA 1.316 27 residues pruned to eliminate duplicates Z: 29 29.284 1.794 0.805 0.931 0.964 0.786 CB 1.238 Z: 39 45.967 1.879 0.914 0.935 1.000 0.763 CA 1.446 40 residues pruned to eliminate duplicates Z: 50 42.748 1.868 0.749 0.849 1.000 0.714 CB 1.385 49 residues pruned to eliminate duplicates Z: 38 45.122 1.928 1.094 0.936 0.946 0.514 CB 1.353 39 residues pruned to eliminate duplicates Z: 36 36.963 1.805 1.020 0.929 0.943 0.543 CB 1.272 29 residues pruned to eliminate duplicates Z: 33 41.351 1.993 1.017 0.936 0.969 0.750 CB 1.307 33 residues pruned to eliminate duplicates Z: 37 27.323 1.739 0.813 0.877 0.889 0.528 CB 1.180 37 residues pruned to eliminate duplicates Z: 30 39.092 2.019 0.666 0.947 1.000 0.966 CA 1.492 30 residues pruned to eliminate duplicates Z: 21 26.755 1.958 0.793 0.773 0.950 0.800 CB 1.409 21 residues pruned to eliminate duplicates Z: 28 32.343 1.772 0.942 0.939 1.000 0.815 CB 1.257 28 residues pruned to eliminate duplicates Z: 6 3.450 1.469 0.663 0.293 0.800 0.400 CA 0.995 6 residues pruned to eliminate duplicates Z: 38 50.102 1.885 1.134 0.912 1.000 0.595 CA 1.450 38 residues pruned to eliminate duplicates Z: 38 50.660 1.905 1.170 0.924 0.973 0.730 CA 1.454 38 residues pruned to eliminate duplicates Z: 37 49.489 1.947 1.088 0.937 0.972 0.778 CA 1.452 37 residues pruned to eliminate duplicates Z: 25 31.864 1.782 0.949 0.923 0.958 0.792 CA 1.374 28 residues pruned to eliminate duplicates Z: 22 37.617 1.969 1.317 0.943 0.952 0.524 CB 1.310 22 residues pruned to eliminate duplicates Z: 33 24.421 1.556 0.572 0.909 1.000 0.719 CB 1.253 32 residues pruned to eliminate duplicates Z: 28 34.817 1.908 0.947 0.918 1.000 0.778 CB 1.272 28 residues pruned to eliminate duplicates Z: 27 27.198 1.770 0.706 0.938 0.962 0.885 CA 1.277 25 residues pruned to eliminate duplicates Z: 36 34.754 1.957 0.720 0.940 0.971 0.914 CA 1.248 36 residues pruned to eliminate duplicates Z: 29 29.510 1.881 0.815 0.896 0.929 0.536 CB 1.260 29 residues pruned to eliminate duplicates Z: 25 31.290 1.980 0.681 0.914 1.000 0.750 CA 1.357 25 residues pruned to eliminate duplicates Z: 36 36.550 1.947 0.700 0.907 0.971 0.886 CA 1.365 36 residues pruned to eliminate duplicates Z: 34 31.220 1.898 0.584 0.931 0.939 0.879 CB 1.345 34 residues pruned to eliminate duplicates Z: 26 29.714 1.767 0.982 0.896 1.000 0.760 CB 1.215 26 residues pruned to eliminate duplicates Z: 31 40.121 1.925 1.214 0.918 0.967 0.600 CB 1.253 31 residues pruned to eliminate duplicates Z: 36 33.902 1.772 0.941 0.914 0.943 0.571 CB 1.249 36 residues pruned to eliminate duplicates Z: 33 36.967 1.844 1.060 0.955 1.000 0.750 CB 1.182 32 residues pruned to eliminate duplicates Z: 23 28.484 1.916 0.663 0.897 1.000 0.909 CB 1.365 23 residues pruned to eliminate duplicates Z: 28 32.633 1.896 0.741 0.882 0.963 0.815 CB 1.430 28 residues pruned to eliminate duplicates Z: 25 32.148 1.797 0.897 0.946 1.000 0.875 CA 1.331 25 residues pruned to eliminate duplicates Z: 36 40.551 1.908 0.855 0.932 0.943 0.771 CA 1.435 36 residues pruned to eliminate duplicates Z: 41 34.969 1.815 0.822 0.815 0.950 0.825 CB 1.339 43 residues pruned to eliminate duplicates Z: 28 28.841 1.805 0.535 0.925 1.000 0.889 CA 1.406 28 residues pruned to eliminate duplicates Z: 18 15.515 1.589 0.784 0.920 1.000 0.882 CB 0.935 13 residues pruned to eliminate duplicates Z: 37 46.615 1.924 0.949 0.934 1.000 0.917 CA 1.445 37 residues pruned to eliminate duplicates Z: 23 30.321 1.903 0.795 0.941 1.000 0.727 CB 1.313 23 residues pruned to eliminate duplicates Z: 35 38.643 1.831 1.105 0.947 0.941 0.529 CB 1.262 35 residues pruned to eliminate duplicates Z: 28 27.632 1.902 0.829 0.899 0.852 0.630 CB 1.283 27 residues pruned to eliminate duplicates Z: 26 28.037 1.731 0.909 0.915 0.960 0.720 CB 1.250 28 residues pruned to eliminate duplicates Z: 29 32.370 1.781 0.821 0.932 1.000 0.857 CB 1.317 29 residues pruned to eliminate duplicates Z: 28 27.042 1.910 0.731 0.890 0.963 0.889 CA 1.176 28 residues pruned to eliminate duplicates Z: 36 30.120 1.761 0.670 0.901 1.000 0.829 CB 1.235 36 residues pruned to eliminate duplicates Z: 20 22.145 1.793 1.007 0.934 0.947 0.632 CB 1.039 20 residues pruned to eliminate duplicates Z: 22 34.390 1.888 1.443 0.849 0.952 0.476 CB 1.267 22 residues pruned to eliminate duplicates Z: 30 47.627 1.970 1.295 0.930 1.000 0.621 CB 1.368 30 residues pruned to eliminate duplicates Z: 14 21.443 1.831 0.657 0.939 1.000 0.846 CB 1.363 14 residues pruned to eliminate duplicates Z: 11 14.642 2.018 0.340 0.920 1.000 1.000 CA 1.205 11 residues pruned to eliminate duplicates Z: 27 23.323 1.750 0.553 0.919 0.923 0.846 CA 1.285 25 residues pruned to eliminate duplicates Z: 39 40.441 1.884 0.782 0.921 1.000 0.921 CA 1.374 39 residues pruned to eliminate duplicates Z: 36 34.024 1.756 1.033 0.932 0.971 0.543 CB 1.158 36 residues pruned to eliminate duplicates Z: 14 9.892 1.424 0.374 0.882 0.923 0.923 CB 1.100 Z: 31 23.953 1.605 0.551 0.904 0.967 0.833 CB 1.294 31 residues pruned to eliminate duplicates Z: 13 16.835 1.836 0.469 0.911 1.000 0.833 CA 1.277 13 residues pruned to eliminate duplicates Z: 36 52.433 2.038 1.067 0.949 0.971 0.686 CB 1.495 36 residues pruned to eliminate duplicates Z: 28 27.347 1.892 0.515 0.920 0.963 0.889 CA 1.342 28 residues pruned to eliminate duplicates Z: 36 34.427 1.807 1.053 0.921 0.971 0.686 CB 1.136 36 residues pruned to eliminate duplicates Z: 30 34.174 1.728 1.026 0.933 1.000 0.621 CB 1.265 30 residues pruned to eliminate duplicates Z: 39 46.229 1.909 1.043 0.913 0.974 0.868 CA 1.398 39 residues pruned to eliminate duplicates Z: 30 25.002 1.617 0.537 0.900 1.000 0.759 CB 1.335 30 residues pruned to eliminate duplicates Z: 21 15.666 1.471 0.836 0.902 0.900 0.400 CB 1.029 7 residues pruned to eliminate duplicates Z: 29 29.031 1.745 0.885 0.927 0.964 0.750 CB 1.212 29 residues pruned to eliminate duplicates Z: 28 34.180 1.917 0.811 0.921 0.963 0.741 CB 1.385 28 residues pruned to eliminate duplicates Z: 26 30.702 1.824 0.842 0.923 1.000 0.560 CB 1.285 26 residues pruned to eliminate duplicates Z: 66 38.032 1.850 0.747 0.769 0.938 0.631 CB 1.226 66 residues pruned to eliminate duplicates Z: 36 35.599 1.948 0.633 0.911 1.000 0.914 CA 1.341 36 residues pruned to eliminate duplicates Z: 34 44.848 1.992 1.054 0.956 1.000 0.727 CB 1.311 34 residues pruned to eliminate duplicates Z: 36 30.910 1.801 0.551 0.883 1.000 0.800 CB 1.353 36 residues pruned to eliminate duplicates Z: 21 29.012 1.950 0.776 0.869 0.950 0.550 CB 1.440 21 residues pruned to eliminate duplicates Z: 29 35.631 1.782 0.952 0.936 1.000 0.893 CB 1.348 29 residues pruned to eliminate duplicates Z: 27 30.714 1.819 0.914 0.946 0.962 0.500 CB 1.245 27 residues pruned to eliminate duplicates Z: 33 37.534 1.899 0.997 0.827 0.969 0.781 CA 1.361 33 residues pruned to eliminate duplicates Z: 21 15.000 1.545 0.300 0.861 1.000 0.850 CB 1.227 21 residues pruned to eliminate duplicates Z: 30 20.069 1.607 0.477 0.877 0.931 0.793 CB 1.224 30 residues pruned to eliminate duplicates Z: 36 36.060 1.841 0.960 0.936 0.943 0.600 CB 1.248 36 residues pruned to eliminate duplicates Z: 14 16.866 1.766 1.031 0.898 0.846 0.538 CB 1.103 14 residues pruned to eliminate duplicates Z: 28 35.421 1.951 0.830 0.902 0.963 0.815 CA 1.414 28 residues pruned to eliminate duplicates Z: 22 20.715 1.820 0.752 0.782 0.952 0.714 CA 1.162 22 residues pruned to eliminate duplicates Z: 6 4.738 1.356 0.567 0.638 0.800 0.600 C 1.095 Z: 30 35.857 1.932 0.835 0.918 0.931 0.724 CB 1.422 30 residues pruned to eliminate duplicates Z: 35 35.277 1.825 0.945 0.934 0.941 0.735 CB 1.263 35 residues pruned to eliminate duplicates 6 0.879 1.274 0.097 0.398 0.600 0.400 CB 0.523 ? Z: 7 2.781 1.395 0.007 0.486 1.000 0.500 N 0.820 Z: 29 35.652 1.781 0.932 0.950 1.000 0.893 CB 1.350 29 residues pruned to eliminate duplicates Z: 23 20.182 1.663 0.419 0.864 1.000 0.818 CB 1.336 23 residues pruned to eliminate duplicates Z: 33 26.652 1.699 0.754 0.843 0.969 0.688 CB 1.215 33 residues pruned to eliminate duplicates Z: 20 42.283 1.980 1.402 0.940 1.000 0.526 CB 1.416 20 residues pruned to eliminate duplicates Z: 38 33.947 1.868 0.717 0.891 0.973 0.865 CA 1.286 38 residues pruned to eliminate duplicates Z: 24 24.677 1.811 0.706 0.835 0.957 0.739 CA 1.303 24 residues pruned to eliminate duplicates Z: 22 27.903 1.858 0.877 0.892 1.000 0.857 CB 1.254 22 residues pruned to eliminate duplicates Z: 36 30.492 1.763 0.607 0.913 0.971 0.743 CB 1.325 36 residues pruned to eliminate duplicates Z: 19 15.145 1.557 0.641 0.933 1.000 0.944 CB 0.975 18 residues pruned to eliminate duplicates Z: 32 22.342 1.582 0.419 0.880 1.000 0.871 CB 1.295 32 residues pruned to eliminate duplicates Z: 14 8.187 1.591 0.478 0.636 0.846 0.692 CB 1.005 14 residues pruned to eliminate duplicates Z: 24 27.587 1.889 0.558 0.944 1.000 0.913 CA 1.353 24 residues pruned to eliminate duplicates Z: 6 2.128 1.605 0.040 0.341 0.800 0.600 CB 0.847 Z: 29 39.320 1.887 0.985 0.922 1.000 0.750 CA 1.394 29 residues pruned to eliminate duplicates Z: 36 47.885 1.943 1.041 0.887 0.971 0.829 CA 1.516 36 residues pruned to eliminate duplicates Z: 25 26.363 1.774 0.646 0.911 1.000 0.917 CB 1.307 25 residues pruned to eliminate duplicates Z: 6 3.581 1.496 0.299 0.797 1.000 0.800 CB 0.635 Z: 29 38.697 2.057 0.704 0.933 1.000 0.821 CB 1.456 29 residues pruned to eliminate duplicates Z: 22 26.940 1.865 0.596 0.908 1.000 0.762 CA 1.403 22 residues pruned to eliminate duplicates Z: 37 34.542 1.785 0.746 0.909 1.000 0.722 CB 1.312 37 residues pruned to eliminate duplicates Z: 6 4.946 1.780 0.521 0.561 1.000 0.600 CB 0.770 Z: 22 19.253 1.666 0.496 0.826 0.952 0.857 CA 1.334 22 residues pruned to eliminate duplicates Z: 19 21.041 2.028 0.352 0.908 0.944 0.778 CA 1.361 19 residues pruned to eliminate duplicates 6 1.600 1.503 0.275 0.592 1.000 0.800 CB 0.342 ? Z: 29 32.826 1.752 1.139 0.956 0.964 0.750 CB 1.179 29 residues pruned to eliminate duplicates Z: 19 13.405 1.600 0.452 0.808 0.944 0.667 CA 1.101 18 residues pruned to eliminate duplicates Z: 37 46.346 1.932 1.058 0.927 0.972 0.750 CA 1.400 37 residues pruned to eliminate duplicates Z: 23 20.059 1.804 0.760 0.746 0.773 0.591 CB 1.398 23 residues pruned to eliminate duplicates Z: 36 37.493 2.015 0.658 0.948 1.000 0.914 CA 1.309 36 residues pruned to eliminate duplicates Z: 32 41.132 1.990 0.992 0.946 1.000 0.645 CB 1.289 32 residues pruned to eliminate duplicates Z: 21 29.794 1.934 0.968 0.921 0.950 0.650 CB 1.296 21 residues pruned to eliminate duplicates Z: 27 33.225 1.918 0.966 0.910 0.846 0.615 CB 1.449 27 residues pruned to eliminate duplicates Z: 28 36.834 1.903 1.094 0.913 1.000 0.630 CB 1.259 29 residues pruned to eliminate duplicates Z: 26 29.742 1.943 0.519 0.929 1.000 0.840 CB 1.410 26 residues pruned to eliminate duplicates Z: 37 25.454 1.684 0.450 0.909 1.000 0.806 CB 1.233 37 residues pruned to eliminate duplicates Z: 37 33.132 1.781 0.770 0.878 0.972 0.806 CB 1.307 37 residues pruned to eliminate duplicates Z: 37 44.166 1.909 0.955 0.908 1.000 0.778 CA 1.400 37 residues pruned to eliminate duplicates Z: 15 11.798 1.399 0.579 0.891 1.000 0.643 CA 1.027 Z: 29 43.695 2.075 0.902 0.937 1.000 0.929 CB 1.456 29 residues pruned to eliminate duplicates Z: 13 14.736 1.723 0.747 0.845 0.917 0.750 CB 1.146 13 residues pruned to eliminate duplicates Z: 34 44.831 1.979 1.186 0.963 1.000 0.576 CB 1.233 33 residues pruned to eliminate duplicates Z: 12 8.312 1.961 0.174 0.492 0.909 0.636 CA 1.207 12 residues pruned to eliminate duplicates Z: 38 49.093 1.895 1.055 0.939 1.000 0.757 CB 1.441 37 residues pruned to eliminate duplicates Z: 6 2.784 1.101 0.750 0.576 1.000 0.200 N 0.601 Z: 39 38.309 1.882 0.790 0.923 0.974 0.947 CA 1.332 39 residues pruned to eliminate duplicates Z: 37 46.151 1.931 0.993 0.918 1.000 0.778 CA 1.410 37 residues pruned to eliminate duplicates Z: 6 3.078 1.439 -0.081 0.580 0.800 0.600 CA 1.205 Z: 26 29.854 1.791 0.901 0.910 0.960 0.800 CB 1.295 26 residues pruned to eliminate duplicates Z: 23 32.817 1.903 0.988 0.891 0.955 0.545 CA 1.392 23 residues pruned to eliminate duplicates Z: 27 28.673 1.746 0.874 0.930 0.962 0.615 CB 1.250 27 residues pruned to eliminate duplicates Z: 25 29.945 1.733 0.945 0.918 0.958 0.625 CA 1.334 25 residues pruned to eliminate duplicates Z: 8 3.525 1.535 0.398 0.792 1.000 0.714 CB 0.481 Z: 38 46.174 1.907 1.060 0.926 0.973 0.811 CA 1.393 38 residues pruned to eliminate duplicates Z: 6 2.232 1.355 0.447 0.323 0.800 0.600 CA 0.774 Z: 15 10.431 1.488 0.688 0.902 0.929 0.714 CB 0.853 9 residues pruned to eliminate duplicates Z: 31 29.660 1.802 0.851 0.875 0.933 0.667 CB 1.266 31 residues pruned to eliminate duplicates Z: 35 44.536 1.958 0.974 0.944 1.000 0.647 CB 1.369 35 residues pruned to eliminate duplicates Z: 11 10.599 1.990 0.520 0.468 0.900 0.600 CA 1.272 11 residues pruned to eliminate duplicates Z: 25 30.496 1.918 0.856 0.906 0.917 0.792 CB 1.357 25 residues pruned to eliminate duplicates Z: 29 48.800 2.102 1.001 0.945 1.000 0.821 CB 1.517 29 residues pruned to eliminate duplicates Z: 11 10.931 1.487 0.719 0.886 1.000 0.900 CB 0.976 11 residues pruned to eliminate duplicates Z: 36 27.585 1.750 0.516 0.914 1.000 0.743 CB 1.243 36 residues pruned to eliminate duplicates Z: 18 23.426 1.837 0.732 0.836 0.941 0.647 CA 1.421 18 residues pruned to eliminate duplicates Z: 37 27.559 1.746 0.625 0.893 0.972 0.778 CB 1.195 37 residues pruned to eliminate duplicates Z: 11 9.248 1.357 0.385 0.901 1.000 1.000 CB 1.111 11 residues pruned to eliminate duplicates Z: 14 14.073 1.636 1.018 0.912 0.923 0.538 CB 0.907 14 residues pruned to eliminate duplicates Z: 33 38.708 1.972 0.890 0.923 0.938 0.562 CB 1.376 33 residues pruned to eliminate duplicates Z: 30 14.434 1.621 0.573 0.491 0.931 0.724 CB 1.140 24 residues pruned to eliminate duplicates Z: 12 9.182 1.753 0.080 0.893 0.909 0.909 CB 1.154 12 residues pruned to eliminate duplicates 6 1.733 1.454 0.431 0.481 0.800 0.400 CB 0.475 ? Z: 12 8.416 1.343 0.821 0.913 0.909 0.727 CB 0.808 3 residues pruned to eliminate duplicates Z: 15 10.800 1.613 0.850 0.879 0.786 0.357 CB 0.892 15 residues pruned to eliminate duplicates Z: 29 36.399 1.872 0.887 0.881 0.964 0.607 CB 1.462 29 residues pruned to eliminate duplicates Z: 9 8.126 1.467 0.546 0.851 0.875 0.875 CB 1.071 9 residues pruned to eliminate duplicates Z: 28 41.547 1.990 1.183 0.938 1.000 0.704 CB 1.280 28 residues pruned to eliminate duplicates Z: 34 42.068 1.991 0.917 0.945 0.970 0.758 CB 1.370 34 residues pruned to eliminate duplicates Z: 20 45.468 2.015 1.331 0.948 1.000 0.737 CB 1.534 20 residues pruned to eliminate duplicates Z: 23 10.619 1.708 0.535 0.549 0.818 0.591 CB 1.006 23 residues pruned to eliminate duplicates Z: 36 32.855 1.813 0.849 0.937 0.943 0.657 CB 1.224 36 residues pruned to eliminate duplicates Z: 21 20.383 1.716 0.488 0.845 1.000 0.650 CB 1.327 21 residues pruned to eliminate duplicates Z: 22 19.531 1.659 0.387 0.873 1.000 0.857 CB 1.349 22 residues pruned to eliminate duplicates Z: 30 38.335 2.002 0.834 0.925 1.000 0.897 CB 1.361 30 residues pruned to eliminate duplicates Z: 12 12.807 1.630 0.852 0.924 1.000 0.636 CB 0.898 12 residues pruned to eliminate duplicates Z: 9 5.020 1.296 0.624 0.427 1.000 0.625 N 0.910 Z: 11 12.614 1.740 0.241 0.884 1.000 0.700 CB 1.336 11 residues pruned to eliminate duplicates Z: 20 14.945 1.449 0.619 0.905 0.947 0.474 CB 1.098 20 residues pruned to eliminate duplicates Z: 26 15.736 1.499 0.500 0.886 0.960 0.840 CB 1.053 26 residues pruned to eliminate duplicates Z: 29 31.546 1.770 1.055 0.921 1.000 0.429 CB 1.154 29 residues pruned to eliminate duplicates Z: 28 21.642 1.744 0.433 0.888 0.963 0.815 CA 1.247 28 residues pruned to eliminate duplicates Z: 23 14.497 1.374 0.580 0.929 0.955 0.818 CB 1.043 23 residues pruned to eliminate duplicates Z: 11 10.753 1.419 0.754 0.859 1.000 0.800 CA 1.005 11 residues pruned to eliminate duplicates Z: 18 15.982 1.464 0.701 0.870 1.000 0.588 CB 1.136 18 residues pruned to eliminate duplicates Z: 12 13.350 1.456 0.783 0.877 1.000 0.636 CB 1.126 11 residues pruned to eliminate duplicates Z: 28 42.643 2.026 1.026 0.920 0.963 0.778 CB 1.463 28 residues pruned to eliminate duplicates Z: 29 37.071 1.796 1.005 0.953 1.000 0.821 CB 1.339 29 residues pruned to eliminate duplicates Z: 29 39.115 1.922 0.968 0.905 1.000 0.821 CA 1.391 29 residues pruned to eliminate duplicates Z: 17 17.853 1.624 0.664 0.893 1.000 0.812 CA 1.185 17 residues pruned to eliminate duplicates Z: 23 18.690 1.758 0.350 0.910 0.909 0.909 CB 1.309 23 residues pruned to eliminate duplicates Z: 6 3.835 1.587 0.391 0.510 0.800 0.600 CB 0.962 Z: 29 33.082 1.843 0.953 0.892 1.000 0.536 CB 1.248 29 residues pruned to eliminate duplicates Z: 18 13.779 1.696 0.426 0.655 0.882 0.824 CA 1.356 18 residues pruned to eliminate duplicates Z: 32 25.247 1.572 0.602 0.900 1.000 0.903 CB 1.286 32 residues pruned to eliminate duplicates Z: 21 14.736 1.777 0.419 0.637 0.900 0.600 CA 1.277 21 residues pruned to eliminate duplicates Z: 26 21.518 1.714 0.490 0.880 0.960 0.840 CA 1.273 25 residues pruned to eliminate duplicates Z: 6 3.613 1.449 0.733 0.853 1.000 1.000 CB 0.476 Z: 14 23.791 1.885 0.864 0.936 1.000 1.000 CA 1.307 14 residues pruned to eliminate duplicates Z: 11 11.984 1.672 0.824 0.784 0.800 0.800 CB 1.210 11 residues pruned to eliminate duplicates Z: 29 39.099 1.927 1.038 0.908 1.000 0.857 CA 1.336 29 residues pruned to eliminate duplicates Z: 11 6.342 1.523 0.537 0.527 0.900 0.500 CB 0.926 11 residues pruned to eliminate duplicates Z: 28 43.579 1.959 1.020 0.939 1.000 0.815 CA 1.473 28 residues pruned to eliminate duplicates Z: 56 43.100 1.981 0.650 0.845 1.000 0.855 CA 1.322 56 residues pruned to eliminate duplicates Z: 16 18.782 1.657 0.837 0.891 0.933 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 53 56.096 2.011 1.036 0.850 1.000 0.769 CA 1.407 53 residues pruned to eliminate duplicates Z: 20 18.642 1.951 0.280 0.902 0.947 0.842 CA 1.290 20 residues pruned to eliminate duplicates Z: 20 12.668 1.584 0.883 0.789 0.684 0.316 CB 1.105 20 residues pruned to eliminate duplicates Z: 28 35.195 1.826 1.045 0.946 1.000 0.630 CB 1.254 29 residues pruned to eliminate duplicates Z: 39 35.259 1.865 0.632 0.918 1.000 0.921 CA 1.325 39 residues pruned to eliminate duplicates Z: 18 26.981 1.821 0.917 0.857 1.000 0.529 CB 1.382 18 residues pruned to eliminate duplicates Z: 8 4.115 1.408 0.590 0.439 0.714 0.571 N 1.036 Z: 29 18.589 1.499 0.532 0.896 1.000 0.821 CB 1.096 28 residues pruned to eliminate duplicates Z: 27 41.291 1.960 0.961 0.938 1.000 0.731 CA 1.464 27 residues pruned to eliminate duplicates Z: 15 15.938 1.713 1.093 0.621 0.929 0.643 CB 1.142 15 residues pruned to eliminate duplicates Z: 12 7.768 1.452 0.505 0.856 0.818 0.818 CB 0.966 10 residues pruned to eliminate duplicates Z: 18 13.686 1.465 0.588 0.891 0.882 0.824 CA 1.163 18 residues pruned to eliminate duplicates Z: 25 26.986 1.786 0.729 0.933 0.958 0.833 CA 1.298 25 residues pruned to eliminate duplicates Z: 30 30.182 1.737 0.696 0.939 1.000 0.966 CA 1.321 30 residues pruned to eliminate duplicates Z: 37 33.955 1.767 1.103 0.942 0.944 0.639 CB 1.119 37 residues pruned to eliminate duplicates Z: 12 4.394 1.564 0.483 0.214 0.636 0.364 CA 1.257 12 residues pruned to eliminate duplicates Z: 13 16.878 1.928 0.458 0.733 1.000 0.750 CA 1.406 13 residues pruned to eliminate duplicates Z: 25 51.858 2.086 1.338 0.928 1.000 0.917 CA 1.520 25 residues pruned to eliminate duplicates Z: 9 4.599 1.299 0.422 0.828 0.875 0.625 CB 0.757 9 residues pruned to eliminate duplicates Z: 16 14.105 1.380 0.824 0.943 1.000 0.867 CA 1.003 17 residues pruned to eliminate duplicates Z: 19 19.401 1.808 0.812 0.844 0.889 0.722 CB 1.168 19 residues pruned to eliminate duplicates Z: 12 10.711 1.446 0.767 0.869 0.909 0.818 CB 1.016 13 residues pruned to eliminate duplicates Z: 25 16.717 1.504 0.682 0.905 0.958 0.667 CB 1.002 25 residues pruned to eliminate duplicates Z: 6 4.665 1.638 0.106 0.676 1.000 0.600 CB 0.978 Z: 12 9.070 1.412 0.668 0.828 1.000 0.636 CB 0.875 12 residues pruned to eliminate duplicates Z: 6 2.781 1.311 0.673 0.501 0.800 0.600 CB 0.708 Z: 21 29.239 1.815 0.970 0.884 0.900 0.500 CA 1.468 21 residues pruned to eliminate duplicates Z: 15 16.413 1.652 1.014 0.890 1.000 0.857 CB 0.949 15 residues pruned to eliminate duplicates Z: 27 16.803 1.461 0.489 0.910 0.962 0.654 CB 1.117 27 residues pruned to eliminate duplicates Z: 30 51.763 2.067 1.107 0.944 1.000 0.862 CA 1.529 30 residues pruned to eliminate duplicates Z: 37 34.121 1.777 0.702 0.913 1.000 0.750 CB 1.331 37 residues pruned to eliminate duplicates 563 residues left after pruning, divided into chains as follows: A: 61 B: 67 C: 30 D: 71 E: 73 F: 41 G: 28 H: 59 I: 27 J: 29 K: 27 L: 23 M: 27 CC for partial structure against native data = 51.16 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.451, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.530, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.639, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.652, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.663, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.667, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.671, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.672, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.674, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.674, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2557 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 584 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 40 47.321 1.954 0.916 0.931 0.974 0.897 CA 1.452 B: 39 52.955 1.983 1.018 0.919 1.000 0.684 CA 1.512 40 residues pruned to eliminate duplicates C: 27 28.411 1.948 0.554 0.894 1.000 0.769 CA 1.320 D: 38 51.957 2.019 0.952 0.942 1.000 0.811 CA 1.502 39 residues pruned to eliminate duplicates E: 30 44.680 2.109 0.856 0.941 1.000 0.793 CB 1.470 F: 36 30.176 1.952 0.388 0.905 0.971 0.943 CB 1.380 G: 54 51.624 2.072 0.861 0.846 0.943 0.736 CA 1.448 21 residues pruned to eliminate duplicates H: 26 27.078 2.113 0.364 0.935 0.960 0.960 CB 1.364 26 residues pruned to eliminate duplicates I: 30 33.443 2.053 0.540 0.924 1.000 0.897 CB 1.380 30 residues pruned to eliminate duplicates J: 27 34.588 1.946 0.885 0.914 0.923 0.692 CB 1.416 K: 30 38.988 2.115 0.821 0.936 1.000 0.862 CA 1.309 30 residues pruned to eliminate duplicates L: 31 35.318 2.003 0.572 0.894 1.000 0.867 CA 1.469 M: 29 42.231 2.153 0.886 0.932 1.000 0.857 CA 1.372 29 residues pruned to eliminate duplicates N: 29 39.683 2.065 0.668 0.923 0.964 0.679 CA 1.586 30 residues pruned to eliminate duplicates O: 37 32.781 1.778 0.780 0.903 0.972 0.722 CB 1.266 P: 17 24.723 1.913 0.730 0.871 0.938 0.812 CA 1.453 17 residues pruned to eliminate duplicates Q: 29 42.222 2.160 0.851 0.956 1.000 0.821 CA 1.371 29 residues pruned to eliminate duplicates R: 30 47.079 2.092 0.887 0.954 1.000 0.828 CB 1.524 30 residues pruned to eliminate duplicates S: 35 30.511 2.022 0.327 0.950 0.971 0.882 CB 1.386 36 residues pruned to eliminate duplicates T: 31 42.902 2.012 0.770 0.931 1.000 0.667 CA 1.537 30 residues pruned to eliminate duplicates U: 31 35.516 2.070 0.556 0.928 1.000 0.833 CB 1.409 30 residues pruned to eliminate duplicates V: 36 41.413 2.042 0.776 0.955 0.971 0.857 CA 1.366 W: 21 25.498 1.912 0.742 0.815 0.900 0.650 CA 1.446 21 residues pruned to eliminate duplicates X: 25 31.212 2.069 0.393 0.913 1.000 0.917 CA 1.564 25 residues pruned to eliminate duplicates Y: 19 31.242 2.015 1.094 0.946 1.000 0.556 CB 1.207 18 residues pruned to eliminate duplicates Z: 18 36.424 2.111 1.140 0.923 1.000 0.765 CB 1.375 18 residues pruned to eliminate duplicates Z: 24 35.810 2.085 0.585 0.931 1.000 0.913 CB 1.579 24 residues pruned to eliminate duplicates Z: 19 23.415 2.024 0.561 0.766 0.889 0.778 CB 1.553 19 residues pruned to eliminate duplicates Z: 23 37.846 2.135 0.638 0.942 1.000 0.909 CB 1.601 23 residues pruned to eliminate duplicates Z: 39 50.315 1.998 0.979 0.927 1.000 0.895 CA 1.446 38 residues pruned to eliminate duplicates Z: 36 55.981 2.105 1.200 0.958 0.971 0.600 CB 1.443 37 residues pruned to eliminate duplicates Z: 27 27.743 1.992 0.437 0.908 0.962 0.846 CA 1.404 27 residues pruned to eliminate duplicates Z: 31 39.617 2.023 0.665 0.920 1.000 0.967 CB 1.512 31 residues pruned to eliminate duplicates Z: 22 29.708 2.179 0.446 0.925 1.000 0.810 CB 1.444 22 residues pruned to eliminate duplicates Z: 31 46.188 2.013 0.947 0.932 1.000 0.800 CB 1.503 31 residues pruned to eliminate duplicates Z: 30 39.942 2.083 0.567 0.931 1.000 0.897 CB 1.589 30 residues pruned to eliminate duplicates Z: 34 32.887 2.060 0.512 0.950 0.939 0.848 CB 1.350 34 residues pruned to eliminate duplicates Z: 31 44.572 2.044 0.796 0.925 1.000 0.933 CB 1.555 31 residues pruned to eliminate duplicates Z: 38 53.185 2.040 0.932 0.928 1.000 0.703 CA 1.554 39 residues pruned to eliminate duplicates Z: 27 33.282 1.985 0.617 0.912 0.962 0.731 CA 1.498 27 residues pruned to eliminate duplicates Z: 36 43.058 2.073 0.673 0.954 1.000 0.771 CA 1.443 36 residues pruned to eliminate duplicates Z: 30 45.345 2.049 0.981 0.943 0.966 0.828 CB 1.489 30 residues pruned to eliminate duplicates Z: 32 43.376 2.011 0.853 0.912 1.000 0.871 CB 1.481 32 residues pruned to eliminate duplicates Z: 29 54.305 2.123 1.257 0.948 1.000 0.821 CA 1.479 29 residues pruned to eliminate duplicates Z: 39 50.173 2.001 0.994 0.922 1.000 0.868 CA 1.435 39 residues pruned to eliminate duplicates Z: 27 40.902 2.001 0.874 0.911 0.962 0.769 CB 1.577 28 residues pruned to eliminate duplicates Z: 38 45.036 1.980 0.946 0.946 0.973 0.703 CB 1.366 38 residues pruned to eliminate duplicates Z: 30 42.576 2.041 0.790 0.914 0.966 0.759 CB 1.585 29 residues pruned to eliminate duplicates Z: 43 33.177 1.920 0.705 0.675 0.952 0.762 CB 1.398 42 residues pruned to eliminate duplicates Z: 37 30.545 1.745 0.576 0.925 1.000 0.861 CB 1.298 37 residues pruned to eliminate duplicates Z: 24 40.348 2.124 0.774 0.952 1.000 0.783 CB 1.538 24 residues pruned to eliminate duplicates Z: 39 47.546 1.947 1.023 0.917 0.947 0.658 CA 1.459 39 residues pruned to eliminate duplicates Z: 36 39.406 1.994 0.793 0.926 1.000 0.629 CB 1.307 36 residues pruned to eliminate duplicates Z: 38 41.431 2.012 0.594 0.927 1.000 0.892 CA 1.488 38 residues pruned to eliminate duplicates Z: 27 31.331 1.986 0.676 0.928 0.885 0.731 CA 1.462 27 residues pruned to eliminate duplicates Z: 53 45.071 2.018 0.781 0.817 0.904 0.788 CB 1.461 31 residues pruned to eliminate duplicates Z: 40 40.742 1.935 0.694 0.908 0.974 0.795 CA 1.451 40 residues pruned to eliminate duplicates Z: 37 45.382 2.004 1.066 0.926 1.000 0.417 CB 1.281 37 residues pruned to eliminate duplicates Z: 26 27.934 2.026 0.388 0.911 1.000 0.920 CA 1.408 26 residues pruned to eliminate duplicates Z: 30 42.477 1.993 1.069 0.898 0.931 0.621 CB 1.469 30 residues pruned to eliminate duplicates Z: 31 44.732 2.057 0.861 0.924 1.000 0.900 CB 1.498 31 residues pruned to eliminate duplicates Z: 30 46.243 2.066 1.078 0.930 1.000 0.621 CB 1.399 30 residues pruned to eliminate duplicates Z: 29 52.411 2.137 1.193 0.954 1.000 0.679 CA 1.454 29 residues pruned to eliminate duplicates Z: 35 29.744 1.778 0.627 0.906 0.971 0.765 CB 1.292 35 residues pruned to eliminate duplicates Z: 36 49.037 2.076 1.092 0.951 0.943 0.600 CB 1.395 36 residues pruned to eliminate duplicates Z: 24 37.375 2.089 0.658 0.944 1.000 0.870 CB 1.559 24 residues pruned to eliminate duplicates Z: 30 36.288 2.016 0.582 0.939 1.000 0.966 CA 1.468 30 residues pruned to eliminate duplicates Z: 37 47.171 2.033 0.833 0.923 1.000 0.778 CA 1.482 38 residues pruned to eliminate duplicates Z: 30 50.230 2.082 1.165 0.922 1.000 0.621 CA 1.455 30 residues pruned to eliminate duplicates Z: 14 17.635 1.760 0.730 0.907 0.923 0.615 CB 1.237 Z: 36 29.746 1.747 0.770 0.893 0.914 0.486 CB 1.277 36 residues pruned to eliminate duplicates Z: 30 38.404 2.007 0.706 0.935 1.000 0.862 CB 1.452 30 residues pruned to eliminate duplicates Z: 31 42.002 2.061 0.667 0.928 1.000 0.900 CB 1.563 31 residues pruned to eliminate duplicates Z: 13 18.749 1.924 0.750 0.895 0.833 0.417 CA 1.383 13 residues pruned to eliminate duplicates Z: 40 45.066 2.028 0.872 0.847 0.949 0.769 CA 1.487 41 residues pruned to eliminate duplicates Z: 19 24.484 1.851 0.583 0.896 1.000 0.833 CA 1.411 12 residues pruned to eliminate duplicates Z: 31 41.920 2.058 0.722 0.916 1.000 0.733 CB 1.526 31 residues pruned to eliminate duplicates Z: 39 53.293 1.945 1.152 0.926 0.974 0.737 CA 1.488 38 residues pruned to eliminate duplicates Z: 29 52.453 2.128 1.253 0.949 0.964 0.750 CB 1.480 29 residues pruned to eliminate duplicates Z: 27 35.701 1.989 0.711 0.916 0.962 0.769 CA 1.512 27 residues pruned to eliminate duplicates Z: 25 39.376 2.012 0.864 0.926 0.958 0.750 CB 1.568 26 residues pruned to eliminate duplicates Z: 38 42.864 2.027 0.718 0.935 1.000 0.811 CA 1.410 38 residues pruned to eliminate duplicates Z: 25 36.527 2.049 0.756 0.934 0.917 0.917 CA 1.577 25 residues pruned to eliminate duplicates Z: 31 44.934 2.047 0.845 0.931 1.000 0.767 CB 1.518 30 residues pruned to eliminate duplicates Z: 39 42.028 1.995 0.744 0.913 1.000 0.868 CA 1.387 39 residues pruned to eliminate duplicates Z: 66 48.132 1.844 0.736 0.929 0.985 0.708 CB 1.326 66 residues pruned to eliminate duplicates Z: 19 26.505 1.822 0.744 0.905 1.000 0.556 CB 1.399 19 residues pruned to eliminate duplicates Z: 28 30.826 1.942 0.572 0.903 1.000 0.704 CB 1.385 27 residues pruned to eliminate duplicates Z: 30 50.215 2.048 1.114 0.924 0.966 0.690 CB 1.566 30 residues pruned to eliminate duplicates Z: 28 28.905 1.934 0.604 0.871 0.926 0.778 CA 1.412 28 residues pruned to eliminate duplicates Z: 27 40.894 2.001 0.851 0.924 1.000 0.808 CA 1.521 26 residues pruned to eliminate duplicates Z: 39 57.946 1.967 1.166 0.931 1.000 0.658 CB 1.542 39 residues pruned to eliminate duplicates Z: 27 33.700 2.093 0.969 0.920 0.923 0.577 CB 1.224 27 residues pruned to eliminate duplicates Z: 36 36.884 2.080 0.500 0.949 0.971 0.829 CA 1.419 36 residues pruned to eliminate duplicates Z: 15 15.448 1.819 0.427 0.780 0.857 0.714 CA 1.450 15 residues pruned to eliminate duplicates Z: 32 40.012 1.999 0.810 0.883 0.968 0.806 CB 1.484 32 residues pruned to eliminate duplicates Z: 38 54.802 2.027 1.048 0.936 1.000 0.892 CA 1.512 38 residues pruned to eliminate duplicates Z: 15 20.918 1.752 0.768 0.919 1.000 0.643 CB 1.272 Z: 27 32.731 1.973 0.555 0.903 0.962 0.769 CA 1.551 27 residues pruned to eliminate duplicates Z: 27 39.368 1.976 0.756 0.939 1.000 0.846 CA 1.546 27 residues pruned to eliminate duplicates Z: 27 33.899 1.778 0.982 0.946 1.000 0.692 CB 1.304 Z: 30 37.675 2.094 0.823 0.924 1.000 0.897 CA 1.287 30 residues pruned to eliminate duplicates Z: 38 49.529 2.057 0.859 0.936 1.000 0.973 CA 1.483 38 residues pruned to eliminate duplicates Z: 27 32.700 1.984 0.671 0.919 0.923 0.769 CA 1.476 27 residues pruned to eliminate duplicates Z: 37 42.991 2.021 0.938 0.924 0.944 0.472 CB 1.361 37 residues pruned to eliminate duplicates Z: 26 23.569 1.659 0.523 0.865 1.000 0.720 CB 1.366 Z: 24 33.768 1.989 0.756 0.946 1.000 0.913 CB 1.394 24 residues pruned to eliminate duplicates Z: 26 39.660 2.021 0.810 0.946 1.000 0.880 CA 1.499 26 residues pruned to eliminate duplicates Z: 30 50.666 2.069 1.028 0.949 1.000 0.759 CB 1.548 31 residues pruned to eliminate duplicates Z: 18 39.700 2.105 1.221 0.950 1.000 0.647 CB 1.420 18 residues pruned to eliminate duplicates Z: 36 30.510 1.764 0.870 0.884 0.943 0.600 CB 1.198 36 residues pruned to eliminate duplicates Z: 28 30.932 1.920 0.686 0.900 0.963 0.778 CB 1.365 28 residues pruned to eliminate duplicates Z: 22 26.425 1.944 0.654 0.824 1.000 0.810 CA 1.355 22 residues pruned to eliminate duplicates Z: 34 34.930 2.057 0.543 0.949 1.000 0.879 CB 1.322 34 residues pruned to eliminate duplicates Z: 18 31.288 1.890 0.973 0.892 1.000 0.765 CA 1.462 19 residues pruned to eliminate duplicates Z: 35 27.054 2.016 0.187 0.943 0.971 0.882 CB 1.384 35 residues pruned to eliminate duplicates Z: 36 35.687 1.967 0.550 0.919 1.000 0.914 CB 1.394 36 residues pruned to eliminate duplicates Z: 37 45.646 2.019 1.179 0.923 0.917 0.667 CB 1.325 37 residues pruned to eliminate duplicates Z: 30 42.407 2.012 0.792 0.923 1.000 0.793 CA 1.534 30 residues pruned to eliminate duplicates Z: 13 11.914 1.716 0.469 0.801 0.833 0.750 CA 1.258 13 residues pruned to eliminate duplicates Z: 23 27.150 1.795 0.764 0.895 0.955 0.818 CB 1.373 21 residues pruned to eliminate duplicates Z: 20 22.671 1.797 0.871 0.934 0.947 0.579 CB 1.139 15 residues pruned to eliminate duplicates Z: 30 45.243 2.102 0.959 0.920 1.000 0.759 CA 1.437 30 residues pruned to eliminate duplicates Z: 28 34.684 1.958 0.855 0.904 1.000 0.667 CB 1.309 28 residues pruned to eliminate duplicates Z: 23 31.450 1.995 0.888 0.895 0.909 0.545 CA 1.404 23 residues pruned to eliminate duplicates Z: 21 24.734 1.839 0.589 0.927 0.950 0.800 CB 1.396 22 residues pruned to eliminate duplicates Z: 28 30.070 1.796 0.625 0.915 1.000 0.778 CA 1.401 23 residues pruned to eliminate duplicates Z: 41 35.936 1.936 0.686 0.875 1.000 0.775 CA 1.266 41 residues pruned to eliminate duplicates Z: 30 42.643 2.102 0.916 0.935 1.000 0.931 CA 1.370 30 residues pruned to eliminate duplicates Z: 39 49.737 1.968 0.968 0.910 1.000 0.711 CA 1.477 39 residues pruned to eliminate duplicates Z: 26 23.528 1.792 0.454 0.939 0.960 0.880 CA 1.308 Z: 27 33.663 2.018 0.934 0.922 0.923 0.500 CB 1.289 27 residues pruned to eliminate duplicates Z: 30 45.334 2.067 1.042 0.936 0.966 0.724 CB 1.438 31 residues pruned to eliminate duplicates Z: 26 34.256 1.970 0.859 0.917 0.960 0.640 CB 1.376 26 residues pruned to eliminate duplicates Z: 21 22.236 1.865 0.495 0.930 1.000 0.950 CB 1.247 7 residues pruned to eliminate duplicates Z: 31 47.228 2.029 0.894 0.938 1.000 0.833 CA 1.559 31 residues pruned to eliminate duplicates Z: 30 21.702 1.622 0.394 0.922 1.000 0.862 CB 1.253 25 residues pruned to eliminate duplicates Z: 19 23.760 1.830 0.400 0.929 1.000 1.000 CB 1.530 18 residues pruned to eliminate duplicates Z: 38 44.154 2.024 0.784 0.926 0.973 0.730 CA 1.449 38 residues pruned to eliminate duplicates Z: 36 47.401 1.948 0.930 0.921 1.000 0.829 CA 1.500 36 residues pruned to eliminate duplicates Z: 29 39.046 2.116 0.596 0.929 1.000 0.929 CB 1.529 29 residues pruned to eliminate duplicates Z: 17 18.880 1.787 0.840 0.825 0.875 0.688 CA 1.238 16 residues pruned to eliminate duplicates Z: 30 39.826 2.027 0.804 0.930 1.000 0.897 CB 1.414 30 residues pruned to eliminate duplicates Z: 28 29.380 1.878 0.729 0.879 1.000 0.667 CA 1.263 28 residues pruned to eliminate duplicates Z: 35 30.750 1.751 0.878 0.914 0.912 0.559 CB 1.244 35 residues pruned to eliminate duplicates Z: 35 39.435 2.021 0.946 0.937 0.971 0.647 CB 1.233 35 residues pruned to eliminate duplicates Z: 28 32.873 1.946 0.671 0.874 1.000 0.815 CB 1.416 28 residues pruned to eliminate duplicates Z: 33 36.311 2.041 0.644 0.951 1.000 0.812 CB 1.319 33 residues pruned to eliminate duplicates Z: 12 20.234 1.990 0.668 0.933 1.000 0.909 CA 1.282 12 residues pruned to eliminate duplicates Z: 8 10.574 1.505 0.638 0.865 1.000 0.714 CB 1.187 Z: 30 40.681 2.099 0.818 0.926 1.000 0.897 CA 1.388 30 residues pruned to eliminate duplicates Z: 31 43.139 2.039 0.821 0.920 1.000 0.867 CB 1.494 30 residues pruned to eliminate duplicates Z: 30 36.583 2.086 0.734 0.935 0.966 0.862 CA 1.355 30 residues pruned to eliminate duplicates Z: 34 38.933 2.070 0.762 0.942 0.970 0.758 CB 1.329 34 residues pruned to eliminate duplicates Z: 31 44.618 2.038 0.840 0.924 1.000 0.733 CB 1.526 31 residues pruned to eliminate duplicates Z: 27 31.412 2.055 0.626 0.933 0.923 0.885 CA 1.393 27 residues pruned to eliminate duplicates Z: 29 25.302 1.877 0.394 0.886 1.000 0.929 CA 1.319 29 residues pruned to eliminate duplicates Z: 19 27.116 1.923 0.631 0.947 1.000 0.889 CB 1.408 20 residues pruned to eliminate duplicates Z: 39 40.949 1.996 0.696 0.916 1.000 0.921 CA 1.385 39 residues pruned to eliminate duplicates Z: 19 22.030 1.866 0.422 0.940 1.000 0.722 CB 1.359 19 residues pruned to eliminate duplicates Z: 39 37.658 1.977 0.629 0.904 1.000 0.789 CA 1.351 38 residues pruned to eliminate duplicates Z: 28 27.891 1.939 0.794 0.863 0.889 0.667 CB 1.274 28 residues pruned to eliminate duplicates Z: 35 33.043 1.847 0.846 0.928 0.971 0.647 CB 1.199 36 residues pruned to eliminate duplicates Z: 31 31.582 2.098 0.323 0.947 1.000 0.867 CB 1.435 31 residues pruned to eliminate duplicates Z: 38 53.555 2.051 0.996 0.934 1.000 0.703 CA 1.500 38 residues pruned to eliminate duplicates Z: 37 31.257 1.945 0.534 0.937 1.000 0.778 CA 1.215 37 residues pruned to eliminate duplicates Z: 44 34.042 1.965 0.723 0.696 0.953 0.791 CB 1.344 27 residues pruned to eliminate duplicates Z: 26 34.444 2.112 0.803 0.931 0.960 0.640 CB 1.317 26 residues pruned to eliminate duplicates Z: 35 37.529 2.021 0.622 0.943 1.000 0.765 CB 1.361 35 residues pruned to eliminate duplicates Z: 28 23.621 1.739 0.501 0.899 0.963 0.778 CA 1.293 27 residues pruned to eliminate duplicates Z: 30 51.738 2.083 1.232 0.930 1.000 0.828 CA 1.446 30 residues pruned to eliminate duplicates Z: 38 45.497 2.007 0.950 0.932 0.973 0.622 CB 1.372 38 residues pruned to eliminate duplicates Z: 29 28.318 1.928 0.793 0.884 0.929 0.643 CB 1.204 29 residues pruned to eliminate duplicates Z: 26 25.504 1.835 0.496 0.932 0.920 0.880 CA 1.411 28 residues pruned to eliminate duplicates Z: 31 41.447 2.040 0.662 0.915 1.000 0.867 CA 1.577 31 residues pruned to eliminate duplicates Z: 33 28.096 1.845 0.415 0.951 1.000 0.969 CB 1.311 33 residues pruned to eliminate duplicates Z: 16 20.863 2.189 0.234 0.902 0.933 0.800 CA 1.524 16 residues pruned to eliminate duplicates Z: 23 16.714 1.519 0.537 0.930 1.000 0.773 CB 1.068 7 residues pruned to eliminate duplicates Z: 37 38.469 2.015 0.581 0.917 1.000 0.889 CA 1.420 37 residues pruned to eliminate duplicates Z: 17 17.446 1.826 0.495 0.907 0.875 0.750 CB 1.298 17 residues pruned to eliminate duplicates Z: 22 29.799 1.867 0.871 0.898 1.000 0.810 CB 1.332 22 residues pruned to eliminate duplicates Z: 27 27.573 1.822 0.628 0.903 1.000 0.692 CB 1.299 27 residues pruned to eliminate duplicates Z: 33 45.862 2.149 0.792 0.867 1.000 0.875 CB 1.540 33 residues pruned to eliminate duplicates Z: 38 43.453 2.020 0.763 0.910 1.000 0.838 CA 1.423 38 residues pruned to eliminate duplicates Z: 38 43.481 2.011 0.752 0.898 0.973 0.892 CA 1.491 38 residues pruned to eliminate duplicates Z: 39 51.649 1.986 1.065 0.912 1.000 0.737 CA 1.447 39 residues pruned to eliminate duplicates Z: 37 39.856 2.027 0.623 0.924 1.000 0.806 CA 1.418 37 residues pruned to eliminate duplicates Z: 28 30.188 1.892 0.577 0.888 1.000 0.926 CB 1.403 28 residues pruned to eliminate duplicates Z: 35 33.232 1.844 0.957 0.945 0.971 0.500 CB 1.126 35 residues pruned to eliminate duplicates Z: 22 26.869 1.777 0.764 0.913 1.000 0.857 CA 1.324 21 residues pruned to eliminate duplicates Z: 24 24.391 1.846 0.612 0.924 1.000 0.739 CB 1.200 24 residues pruned to eliminate duplicates Z: 27 29.398 1.963 0.535 0.906 0.923 0.769 CA 1.474 27 residues pruned to eliminate duplicates Z: 27 28.240 1.829 0.654 0.898 0.923 0.692 CB 1.419 25 residues pruned to eliminate duplicates Z: 30 45.330 2.110 1.039 0.932 1.000 0.724 CA 1.366 30 residues pruned to eliminate duplicates Z: 31 23.812 1.569 0.551 0.909 1.000 0.800 CB 1.268 31 residues pruned to eliminate duplicates Z: 29 38.933 2.142 0.887 0.911 0.964 0.857 CA 1.338 29 residues pruned to eliminate duplicates Z: 27 31.080 1.936 0.519 0.915 1.000 0.692 CA 1.465 27 residues pruned to eliminate duplicates Z: 34 29.830 1.860 0.439 0.950 1.000 0.939 CB 1.338 34 residues pruned to eliminate duplicates Z: 9 7.057 1.512 0.304 0.865 0.875 0.500 CB 1.059 9 residues pruned to eliminate duplicates Z: 25 28.252 1.826 0.679 0.932 1.000 0.625 CB 1.313 25 residues pruned to eliminate duplicates Z: 32 38.039 1.938 0.817 0.921 1.000 0.903 CB 1.365 32 residues pruned to eliminate duplicates Z: 31 40.849 2.043 0.697 0.927 1.000 0.900 CB 1.507 31 residues pruned to eliminate duplicates Z: 38 40.266 2.007 0.667 0.894 0.973 0.811 CA 1.459 38 residues pruned to eliminate duplicates Z: 27 46.263 2.084 1.320 0.857 0.962 0.692 CB 1.438 27 residues pruned to eliminate duplicates Z: 29 42.260 2.119 0.639 0.924 1.000 0.929 CB 1.615 29 residues pruned to eliminate duplicates Z: 26 27.909 1.792 0.599 0.925 1.000 0.880 CA 1.367 26 residues pruned to eliminate duplicates Z: 19 29.879 1.917 0.937 0.894 1.000 0.833 CB 1.361 19 residues pruned to eliminate duplicates Z: 26 28.448 1.804 0.772 0.921 0.960 0.600 CB 1.305 26 residues pruned to eliminate duplicates Z: 27 21.501 1.610 0.521 0.886 1.000 0.769 CB 1.242 27 residues pruned to eliminate duplicates Z: 35 39.072 2.006 0.847 0.955 1.000 0.676 CB 1.243 35 residues pruned to eliminate duplicates Z: 36 48.952 2.099 1.061 0.852 1.000 0.686 CB 1.414 36 residues pruned to eliminate duplicates Z: 25 25.620 1.796 0.559 0.933 1.000 0.917 CA 1.303 25 residues pruned to eliminate duplicates Z: 30 39.975 2.089 0.754 0.942 1.000 0.862 CA 1.405 30 residues pruned to eliminate duplicates Z: 27 31.221 1.787 0.829 0.943 1.000 0.885 CB 1.298 27 residues pruned to eliminate duplicates Z: 26 26.200 1.830 0.474 0.935 0.960 0.840 CA 1.410 26 residues pruned to eliminate duplicates Z: 36 35.902 1.770 0.824 0.919 1.000 0.800 CB 1.325 36 residues pruned to eliminate duplicates Z: 27 29.841 1.790 0.654 0.911 1.000 0.923 CB 1.402 27 residues pruned to eliminate duplicates Z: 9 13.994 1.657 0.662 0.771 1.000 0.875 CB 1.414 8 residues pruned to eliminate duplicates Z: 27 29.549 1.777 0.653 0.927 1.000 0.923 CB 1.383 27 residues pruned to eliminate duplicates Z: 31 43.989 2.045 0.793 0.901 1.000 0.867 CB 1.564 31 residues pruned to eliminate duplicates Z: 30 33.908 1.999 0.522 0.934 1.000 0.931 CA 1.443 30 residues pruned to eliminate duplicates Z: 15 23.314 1.862 0.891 0.900 1.000 0.786 CB 1.264 15 residues pruned to eliminate duplicates Z: 8 10.248 1.785 0.465 0.561 1.000 0.571 CB 1.396 8 residues pruned to eliminate duplicates Z: 30 44.272 2.080 0.928 0.935 1.000 0.759 CA 1.429 30 residues pruned to eliminate duplicates Z: 30 32.260 2.062 0.668 0.922 1.000 0.966 CA 1.224 30 residues pruned to eliminate duplicates Z: 38 55.488 1.965 1.137 0.933 0.973 0.595 CB 1.558 38 residues pruned to eliminate duplicates Z: 39 43.134 1.990 0.738 0.902 1.000 0.842 CA 1.443 39 residues pruned to eliminate duplicates Z: 16 19.520 1.885 0.785 0.900 0.933 0.467 CB 1.147 16 residues pruned to eliminate duplicates Z: 26 29.242 1.820 0.705 0.932 1.000 0.960 CA 1.316 26 residues pruned to eliminate duplicates Z: 38 38.467 2.031 0.553 0.912 1.000 0.892 CA 1.420 38 residues pruned to eliminate duplicates Z: 34 37.530 2.085 0.625 0.952 0.970 0.758 CB 1.370 34 residues pruned to eliminate duplicates Z: 18 29.285 1.896 0.764 0.914 1.000 0.706 CB 1.502 18 residues pruned to eliminate duplicates Z: 35 32.895 1.834 0.693 0.951 0.971 0.676 CB 1.291 35 residues pruned to eliminate duplicates Z: 34 30.571 1.822 0.745 0.950 1.000 0.788 CB 1.154 34 residues pruned to eliminate duplicates Z: 27 35.365 1.838 0.880 0.936 1.000 0.731 CB 1.398 28 residues pruned to eliminate duplicates Z: 23 13.773 1.463 0.657 0.832 0.818 0.545 CB 1.111 Z: 27 26.768 1.953 0.558 0.877 1.000 0.769 CB 1.252 27 residues pruned to eliminate duplicates Z: 9 13.043 1.546 1.131 0.789 0.875 0.625 CA 1.241 9 residues pruned to eliminate duplicates Z: 17 22.707 1.869 0.525 0.934 1.000 1.000 CA 1.389 17 residues pruned to eliminate duplicates Z: 20 26.835 1.833 0.808 0.921 1.000 0.737 CB 1.307 20 residues pruned to eliminate duplicates Z: 30 49.979 2.043 1.115 0.941 1.000 0.621 CB 1.491 30 residues pruned to eliminate duplicates Z: 24 18.238 1.558 0.484 0.915 1.000 0.739 CB 1.163 23 residues pruned to eliminate duplicates Z: 25 25.164 1.746 0.583 0.925 1.000 0.833 CA 1.305 25 residues pruned to eliminate duplicates Z: 31 45.418 2.024 0.863 0.933 1.000 0.867 CB 1.535 31 residues pruned to eliminate duplicates Z: 29 55.155 2.065 1.195 0.958 1.000 0.464 CB 1.578 29 residues pruned to eliminate duplicates Z: 29 24.607 1.861 0.650 0.877 0.964 0.679 CB 1.141 29 residues pruned to eliminate duplicates Z: 11 8.366 1.620 0.390 0.868 1.000 0.700 CB 0.859 11 residues pruned to eliminate duplicates Z: 36 32.180 1.788 0.774 0.910 0.943 0.629 CB 1.290 36 residues pruned to eliminate duplicates Z: 34 35.997 2.049 0.723 0.950 0.970 0.758 CB 1.263 34 residues pruned to eliminate duplicates Z: 26 18.934 1.793 0.226 0.933 0.960 0.960 CA 1.253 26 residues pruned to eliminate duplicates Z: 30 38.201 2.084 0.830 0.953 0.966 0.759 CB 1.326 30 residues pruned to eliminate duplicates Z: 46 33.094 1.877 0.531 0.700 0.956 0.711 CA 1.497 47 residues pruned to eliminate duplicates Z: 18 21.026 1.861 0.693 0.914 0.941 0.647 CB 1.216 17 residues pruned to eliminate duplicates Z: 36 32.203 1.813 0.733 0.940 0.971 0.657 CB 1.238 36 residues pruned to eliminate duplicates Z: 24 23.137 1.816 0.462 0.896 0.957 0.783 CB 1.361 24 residues pruned to eliminate duplicates Z: 30 30.801 2.098 0.557 0.938 1.000 0.966 CA 1.218 30 residues pruned to eliminate duplicates Z: 27 23.379 1.728 0.621 0.897 0.923 0.769 CA 1.269 27 residues pruned to eliminate duplicates Z: 19 21.033 1.798 0.575 0.924 0.944 0.722 CB 1.302 19 residues pruned to eliminate duplicates Z: 36 31.858 1.778 0.646 0.931 1.000 0.800 CB 1.286 36 residues pruned to eliminate duplicates Z: 19 26.308 1.880 0.848 0.889 0.889 0.611 CB 1.446 19 residues pruned to eliminate duplicates Z: 32 41.663 2.000 0.808 0.904 1.000 0.774 CB 1.474 32 residues pruned to eliminate duplicates Z: 47 27.600 1.742 0.640 0.757 0.935 0.543 CB 1.212 49 residues pruned to eliminate duplicates Z: 27 32.075 2.049 0.684 0.919 0.962 0.846 CA 1.336 27 residues pruned to eliminate duplicates Z: 39 39.532 1.985 0.601 0.913 1.000 0.974 CA 1.427 39 residues pruned to eliminate duplicates Z: 53 48.104 2.016 0.887 0.827 0.904 0.692 CB 1.462 53 residues pruned to eliminate duplicates Z: 21 20.301 1.831 0.601 0.913 1.000 0.850 CB 1.096 21 residues pruned to eliminate duplicates Z: 20 20.186 1.690 0.746 0.880 0.947 0.842 CB 1.201 20 residues pruned to eliminate duplicates Z: 36 51.970 2.049 0.991 0.898 1.000 0.886 CA 1.541 36 residues pruned to eliminate duplicates Z: 34 33.135 1.814 0.865 0.948 1.000 0.667 CB 1.177 34 residues pruned to eliminate duplicates Z: 12 2.599 1.512 0.045 0.153 0.727 0.455 CB 1.045 Z: 37 32.274 1.775 0.647 0.896 1.000 0.722 CB 1.318 37 residues pruned to eliminate duplicates Z: 30 20.621 1.593 0.459 0.893 1.000 0.931 CB 1.183 30 residues pruned to eliminate duplicates Z: 17 18.614 1.726 0.751 0.930 1.000 0.812 CB 1.077 17 residues pruned to eliminate duplicates Z: 18 29.161 1.991 0.860 0.898 0.941 0.706 CB 1.452 18 residues pruned to eliminate duplicates Z: 12 12.935 1.703 0.761 0.867 0.818 0.636 CB 1.163 12 residues pruned to eliminate duplicates Z: 30 26.273 1.719 0.731 0.834 0.897 0.759 CB 1.371 30 residues pruned to eliminate duplicates Z: 36 29.068 1.756 0.537 0.911 0.971 0.771 CB 1.329 36 residues pruned to eliminate duplicates Z: 25 22.747 1.810 0.529 0.909 0.917 0.833 CA 1.299 25 residues pruned to eliminate duplicates Z: 14 14.880 1.494 0.708 0.901 0.923 0.692 CB 1.250 14 residues pruned to eliminate duplicates Z: 27 35.003 1.778 1.049 0.952 1.000 0.692 CB 1.298 27 residues pruned to eliminate duplicates Z: 22 21.483 1.755 0.416 0.930 1.000 0.905 CA 1.319 22 residues pruned to eliminate duplicates Z: 37 29.752 1.764 0.476 0.886 1.000 0.833 CB 1.374 37 residues pruned to eliminate duplicates Z: 9 11.387 1.668 0.924 0.908 1.000 0.875 CB 0.891 Z: 30 21.592 1.586 0.478 0.897 1.000 0.724 CB 1.225 30 residues pruned to eliminate duplicates Z: 7 6.217 1.580 0.478 0.613 0.833 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 39 38.724 1.960 0.579 0.906 1.000 0.868 CA 1.444 39 residues pruned to eliminate duplicates Z: 21 25.985 1.921 0.742 0.859 1.000 0.800 CB 1.278 21 residues pruned to eliminate duplicates Z: 22 34.939 2.070 0.735 0.906 0.952 0.714 CA 1.586 22 residues pruned to eliminate duplicates Z: 26 29.101 1.714 0.760 0.915 1.000 0.720 CB 1.363 26 residues pruned to eliminate duplicates Z: 27 28.622 1.970 0.503 0.885 0.923 0.846 CA 1.483 27 residues pruned to eliminate duplicates Z: 28 31.995 2.012 0.721 0.906 1.000 0.815 CB 1.265 28 residues pruned to eliminate duplicates Z: 31 50.878 1.994 1.131 0.942 1.000 0.600 CB 1.515 31 residues pruned to eliminate duplicates Z: 23 17.774 1.686 0.495 0.794 0.909 0.727 CB 1.279 23 residues pruned to eliminate duplicates Z: 11 10.927 1.654 0.611 0.827 0.800 0.700 CA 1.221 11 residues pruned to eliminate duplicates Z: 20 24.826 1.860 0.569 0.915 1.000 0.895 CB 1.379 20 residues pruned to eliminate duplicates Z: 28 33.313 1.945 0.794 0.905 1.000 0.741 CB 1.308 28 residues pruned to eliminate duplicates Z: 37 35.876 1.785 0.804 0.889 1.000 0.583 CB 1.337 37 residues pruned to eliminate duplicates Z: 18 17.995 1.514 0.638 0.897 0.941 0.765 CA 1.339 18 residues pruned to eliminate duplicates Z: 23 33.162 2.116 0.670 0.933 1.000 0.727 CB 1.396 23 residues pruned to eliminate duplicates Z: 38 49.966 1.989 1.061 0.920 0.946 0.703 CB 1.492 39 residues pruned to eliminate duplicates Z: 18 17.988 1.797 0.513 0.920 0.941 0.824 CA 1.201 18 residues pruned to eliminate duplicates Z: 20 26.763 2.063 0.620 0.930 1.000 0.895 CA 1.284 20 residues pruned to eliminate duplicates Z: 21 23.928 1.870 1.011 0.888 0.900 0.450 CB 1.139 30 residues pruned to eliminate duplicates Z: 28 27.693 1.815 0.748 0.921 0.963 0.815 CB 1.228 28 residues pruned to eliminate duplicates Z: 8 8.758 1.529 0.416 0.855 0.857 0.714 N 1.316 8 residues pruned to eliminate duplicates Z: 22 15.919 1.534 0.216 0.912 1.000 0.857 O 1.319 22 residues pruned to eliminate duplicates Z: 27 28.217 1.744 0.800 0.933 0.962 0.769 CA 1.279 29 residues pruned to eliminate duplicates Z: 27 30.832 1.774 0.841 0.927 1.000 0.731 CB 1.297 27 residues pruned to eliminate duplicates Z: 38 44.426 2.046 0.727 0.931 1.000 0.946 CA 1.444 38 residues pruned to eliminate duplicates Z: 21 41.036 2.089 1.067 0.937 1.000 0.750 CB 1.479 21 residues pruned to eliminate duplicates Z: 7 3.141 1.604 0.294 0.434 0.667 0.333 CB 0.992 Z: 30 20.491 1.561 0.533 0.859 1.000 0.724 CB 1.170 30 residues pruned to eliminate duplicates Z: 6 10.632 1.576 0.532 0.863 1.000 1.000 CA 1.445 6 residues pruned to eliminate duplicates Z: 36 41.802 1.974 0.971 0.934 1.000 0.600 CB 1.266 36 residues pruned to eliminate duplicates Z: 29 52.456 2.050 1.240 0.933 1.000 0.571 CB 1.507 29 residues pruned to eliminate duplicates Z: 7 3.467 1.411 0.692 0.566 0.833 0.667 CB 0.667 Z: 26 22.197 1.651 0.592 0.888 1.000 0.640 CB 1.217 26 residues pruned to eliminate duplicates Z: 13 11.186 1.389 0.605 0.780 0.917 0.667 O 1.234 Z: 16 22.572 1.956 0.624 0.866 0.933 0.733 CA 1.439 16 residues pruned to eliminate duplicates Z: 28 33.366 1.948 0.920 0.889 0.963 0.704 CB 1.284 28 residues pruned to eliminate duplicates Z: 30 44.912 2.089 0.980 0.925 1.000 0.897 CA 1.415 30 residues pruned to eliminate duplicates Z: 21 21.477 1.756 0.879 0.940 1.000 0.600 CB 1.011 20 residues pruned to eliminate duplicates Z: 17 20.788 1.740 0.762 0.897 1.000 0.812 CB 1.213 17 residues pruned to eliminate duplicates Z: 7 2.620 1.590 0.137 0.393 0.667 0.500 CB 0.994 8 residues pruned to eliminate duplicates Z: 16 20.834 1.770 0.878 0.900 1.000 0.667 CB 1.156 16 residues pruned to eliminate duplicates Z: 7 4.250 1.688 1.083 0.831 1.000 0.833 CB 0.371 Z: 7 8.434 1.505 0.633 0.706 1.000 0.333 CB 1.162 7 residues pruned to eliminate duplicates Z: 30 20.303 1.733 0.347 0.855 0.966 0.862 CA 1.235 27 residues pruned to eliminate duplicates Z: 27 25.899 1.762 0.821 0.925 0.962 0.731 CB 1.155 27 residues pruned to eliminate duplicates Z: 39 37.770 1.952 0.640 0.904 1.000 0.842 CA 1.363 39 residues pruned to eliminate duplicates Z: 24 22.613 1.787 0.456 0.913 0.957 0.783 CB 1.341 24 residues pruned to eliminate duplicates Z: 7 4.137 1.740 0.032 0.487 1.000 0.667 CB 0.952 Z: 29 21.875 1.628 0.500 0.886 0.964 0.857 CB 1.266 29 residues pruned to eliminate duplicates Z: 30 20.747 1.578 0.485 0.842 1.000 0.759 CB 1.224 30 residues pruned to eliminate duplicates Z: 27 23.890 1.769 0.460 0.918 0.962 0.885 CB 1.330 27 residues pruned to eliminate duplicates Z: 22 30.069 2.110 0.384 0.902 1.000 0.905 CB 1.602 22 residues pruned to eliminate duplicates Z: 28 26.331 1.928 0.579 0.848 0.889 0.630 CA 1.389 28 residues pruned to eliminate duplicates Z: 27 30.936 1.761 0.690 0.946 1.000 0.885 CA 1.410 27 residues pruned to eliminate duplicates Z: 28 26.508 1.784 0.697 0.897 0.963 0.741 CB 1.253 29 residues pruned to eliminate duplicates Z: 7 9.962 1.585 0.376 0.905 1.000 1.000 N 1.327 7 residues pruned to eliminate duplicates Z: 13 12.607 1.562 0.564 0.922 1.000 0.833 CB 1.048 13 residues pruned to eliminate duplicates Z: 33 35.284 2.062 0.566 0.935 0.969 0.812 CB 1.389 33 residues pruned to eliminate duplicates Z: 17 20.433 1.695 0.918 0.884 1.000 0.438 CB 1.136 16 residues pruned to eliminate duplicates Z: 36 44.698 2.069 0.833 0.924 0.971 0.657 CB 1.440 36 residues pruned to eliminate duplicates Z: 37 27.323 1.743 0.616 0.893 0.889 0.611 CB 1.306 37 residues pruned to eliminate duplicates Z: 30 49.784 2.125 1.159 0.927 1.000 0.724 CA 1.412 30 residues pruned to eliminate duplicates Z: 23 25.037 1.834 0.682 0.935 1.000 0.818 CB 1.206 23 residues pruned to eliminate duplicates Z: 32 28.066 1.796 0.522 0.916 1.000 0.742 CB 1.302 32 residues pruned to eliminate duplicates Z: 27 27.014 1.972 0.522 0.868 0.962 0.769 CA 1.343 27 residues pruned to eliminate duplicates Z: 18 14.323 1.463 0.495 0.860 0.941 0.706 CB 1.242 18 residues pruned to eliminate duplicates Z: 27 30.114 1.764 0.727 0.898 1.000 0.885 CB 1.387 27 residues pruned to eliminate duplicates Z: 38 48.994 2.026 0.864 0.937 1.000 0.811 CA 1.485 38 residues pruned to eliminate duplicates Z: 26 27.942 1.815 0.616 0.929 1.000 0.760 CA 1.333 26 residues pruned to eliminate duplicates Z: 40 36.013 1.938 0.645 0.907 1.000 0.795 CA 1.286 40 residues pruned to eliminate duplicates Z: 35 44.840 2.025 1.010 0.959 1.000 0.441 CB 1.295 35 residues pruned to eliminate duplicates Z: 7 3.560 1.544 0.638 0.543 0.500 0.333 CB 1.102 Z: 36 30.682 1.769 0.602 0.941 0.971 0.857 CB 1.308 36 residues pruned to eliminate duplicates Z: 6 5.245 1.581 0.684 0.423 0.800 0.400 O 1.193 Z: 6 3.522 1.566 0.151 0.425 0.800 0.600 CB 1.182 Z: 11 4.450 1.539 0.860 0.317 0.600 0.400 CB 1.003 Z: 25 20.080 1.816 0.285 0.935 0.958 0.833 CB 1.277 25 residues pruned to eliminate duplicates Z: 12 10.106 1.816 0.690 0.886 0.818 0.455 CB 0.876 12 residues pruned to eliminate duplicates Z: 31 43.435 1.962 1.106 0.904 1.000 0.667 CB 1.366 37 residues pruned to eliminate duplicates Z: 17 16.263 1.590 0.511 0.881 1.000 0.750 CB 1.226 17 residues pruned to eliminate duplicates Z: 27 27.574 1.782 0.758 0.896 0.923 0.692 CB 1.339 27 residues pruned to eliminate duplicates Z: 27 23.419 1.781 0.466 0.870 0.962 0.769 CA 1.335 27 residues pruned to eliminate duplicates Z: 29 52.936 2.119 1.263 0.930 1.000 0.643 CA 1.458 29 residues pruned to eliminate duplicates Z: 38 46.534 2.031 0.851 0.911 1.000 0.892 CA 1.442 38 residues pruned to eliminate duplicates Z: 19 14.855 1.503 0.571 0.845 1.000 0.667 CB 1.103 19 residues pruned to eliminate duplicates Z: 33 42.292 2.084 0.981 0.952 0.969 0.781 CB 1.287 35 residues pruned to eliminate duplicates Z: 34 41.251 1.980 0.773 0.939 1.000 0.848 CA 1.422 34 residues pruned to eliminate duplicates Z: 20 20.132 1.699 0.466 0.872 1.000 0.737 CB 1.352 20 residues pruned to eliminate duplicates Z: 39 43.730 1.999 0.784 0.927 0.974 0.921 CA 1.432 39 residues pruned to eliminate duplicates Z: 9 5.731 1.670 0.409 0.507 0.750 0.500 CB 1.140 13 residues pruned to eliminate duplicates Z: 17 17.812 1.891 0.351 0.923 1.000 0.875 CB 1.224 17 residues pruned to eliminate duplicates Z: 17 21.784 1.864 0.661 0.911 1.000 0.938 CA 1.247 17 residues pruned to eliminate duplicates Z: 35 44.019 1.989 0.841 0.907 0.971 0.794 CA 1.509 35 residues pruned to eliminate duplicates Z: 37 31.051 1.770 0.713 0.888 0.944 0.667 CB 1.302 37 residues pruned to eliminate duplicates Z: 26 21.601 1.759 0.332 0.928 1.000 0.920 CA 1.291 26 residues pruned to eliminate duplicates Z: 27 22.343 1.809 0.382 0.926 0.962 0.846 CA 1.278 27 residues pruned to eliminate duplicates Z: 36 25.297 1.725 0.425 0.859 1.000 0.771 CB 1.280 36 residues pruned to eliminate duplicates Z: 38 36.862 2.016 0.575 0.917 1.000 0.919 CA 1.347 38 residues pruned to eliminate duplicates Z: 34 39.206 2.044 1.010 0.953 0.939 0.455 CB 1.217 34 residues pruned to eliminate duplicates Z: 20 27.300 1.990 0.668 0.885 0.947 0.789 CA 1.438 20 residues pruned to eliminate duplicates Z: 21 20.532 1.951 0.467 0.836 0.950 0.800 CA 1.264 21 residues pruned to eliminate duplicates Z: 31 26.919 2.004 0.348 0.920 0.967 0.867 CB 1.325 31 residues pruned to eliminate duplicates Z: 19 19.889 1.772 0.525 0.892 0.889 0.667 CB 1.402 19 residues pruned to eliminate duplicates Z: 37 31.653 1.754 0.911 0.939 0.944 0.528 CB 1.158 37 residues pruned to eliminate duplicates Z: 27 30.736 1.849 0.677 0.929 0.962 0.846 CB 1.415 27 residues pruned to eliminate duplicates Z: 25 18.740 1.584 0.596 0.893 0.917 0.750 CB 1.185 25 residues pruned to eliminate duplicates Z: 28 26.381 1.765 0.626 0.905 0.963 0.815 CB 1.307 28 residues pruned to eliminate duplicates Z: 33 35.358 2.025 0.839 0.932 0.969 0.562 CB 1.210 33 residues pruned to eliminate duplicates Z: 19 16.992 1.948 0.818 0.656 0.944 0.556 CB 1.035 19 residues pruned to eliminate duplicates Z: 27 31.715 1.856 0.847 0.906 1.000 0.769 CB 1.290 27 residues pruned to eliminate duplicates Z: 22 18.311 1.480 0.610 0.862 0.952 0.857 CB 1.293 23 residues pruned to eliminate duplicates Z: 8 6.503 1.504 0.401 0.582 0.857 0.429 N 1.258 Z: 30 24.627 1.767 0.558 0.880 0.966 0.759 CB 1.247 30 residues pruned to eliminate duplicates Z: 37 49.314 2.040 0.874 0.938 1.000 0.778 CA 1.495 37 residues pruned to eliminate duplicates Z: 9 7.309 1.546 -0.035 0.860 1.000 0.750 N 1.273 9 residues pruned to eliminate duplicates Z: 9 8.387 1.435 0.450 0.836 1.000 0.500 CB 1.066 9 residues pruned to eliminate duplicates Z: 60 43.624 1.929 0.690 0.844 1.000 0.678 CB 1.296 60 residues pruned to eliminate duplicates Z: 25 23.185 1.667 0.547 0.884 1.000 0.708 CB 1.327 25 residues pruned to eliminate duplicates Z: 22 12.122 1.765 0.748 0.502 0.762 0.571 CB 1.123 22 residues pruned to eliminate duplicates Z: 28 39.105 1.918 1.048 0.915 0.926 0.519 CB 1.463 28 residues pruned to eliminate duplicates Z: 27 25.321 1.749 0.610 0.885 1.000 0.846 CB 1.274 27 residues pruned to eliminate duplicates Z: 59 67.131 2.056 1.126 0.887 1.000 0.810 CB 1.454 59 residues pruned to eliminate duplicates 6 1.651 1.277 0.144 0.474 0.600 0.400 CA 0.864 ? Z: 19 17.774 1.515 0.819 0.869 0.889 0.611 CB 1.249 17 residues pruned to eliminate duplicates Z: 27 34.426 2.024 0.868 0.937 0.962 0.538 CB 1.293 27 residues pruned to eliminate duplicates Z: 44 34.706 1.812 0.745 0.888 0.953 0.744 CB 1.265 44 residues pruned to eliminate duplicates Z: 20 15.315 1.462 0.362 0.888 1.000 0.895 CB 1.270 20 residues pruned to eliminate duplicates Z: 6 5.804 1.670 0.537 0.465 0.800 0.600 CB 1.309 Z: 13 7.862 1.502 0.522 0.652 0.750 0.583 N 1.149 13 residues pruned to eliminate duplicates Z: 9 6.600 1.233 0.191 0.911 1.000 0.875 O 1.127 9 residues pruned to eliminate duplicates Z: 26 31.683 1.813 0.812 0.932 0.960 0.760 CB 1.403 26 residues pruned to eliminate duplicates Z: 22 22.757 1.739 0.627 0.849 0.952 0.810 CB 1.367 22 residues pruned to eliminate duplicates Z: 11 11.959 1.448 0.696 0.876 1.000 0.800 CA 1.119 13 residues pruned to eliminate duplicates Z: 18 23.812 1.808 0.602 0.903 1.000 0.706 CB 1.422 18 residues pruned to eliminate duplicates Z: 25 22.409 1.784 0.606 0.904 0.917 0.833 CB 1.241 25 residues pruned to eliminate duplicates Z: 26 33.194 1.922 0.912 0.807 0.960 0.680 CB 1.440 26 residues pruned to eliminate duplicates Z: 24 27.062 1.813 0.589 0.932 1.000 0.870 CB 1.368 24 residues pruned to eliminate duplicates Z: 15 14.589 1.406 0.666 0.909 1.000 0.643 CB 1.182 11 residues pruned to eliminate duplicates Z: 26 21.704 1.790 0.381 0.925 0.960 0.880 CA 1.284 26 residues pruned to eliminate duplicates Z: 18 28.839 1.892 0.970 0.875 1.000 0.588 CA 1.364 19 residues pruned to eliminate duplicates Z: 15 22.321 1.707 0.747 0.925 1.000 0.929 CA 1.404 15 residues pruned to eliminate duplicates Z: 38 38.288 1.965 0.701 0.876 0.973 0.676 CA 1.406 38 residues pruned to eliminate duplicates Z: 27 34.049 1.814 0.877 0.945 1.000 0.923 CB 1.357 27 residues pruned to eliminate duplicates Z: 8 2.697 1.466 0.020 0.445 0.857 0.571 CB 0.842 8 residues pruned to eliminate duplicates Z: 13 13.901 1.528 0.694 0.855 1.000 0.750 CB 1.144 12 residues pruned to eliminate duplicates Z: 30 15.526 1.834 0.575 0.442 0.793 0.655 CA 1.336 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 44.735 2.112 0.796 0.941 1.000 0.929 CB 1.547 29 residues pruned to eliminate duplicates Z: 32 43.086 2.143 0.692 0.875 1.000 0.871 CB 1.552 32 residues pruned to eliminate duplicates Z: 35 37.827 2.068 0.704 0.802 0.941 0.824 CB 1.501 35 residues pruned to eliminate duplicates Z: 36 40.676 2.062 0.823 0.792 0.971 0.829 CB 1.457 36 residues pruned to eliminate duplicates Z: 35 37.842 2.085 0.787 0.808 0.912 0.794 CB 1.460 35 residues pruned to eliminate duplicates Z: 54 48.142 2.007 0.859 0.806 0.943 0.717 CB 1.439 54 residues pruned to eliminate duplicates Z: 32 43.212 2.145 0.811 0.882 0.968 0.903 CB 1.495 32 residues pruned to eliminate duplicates Z: 36 36.989 2.075 0.767 0.801 0.914 0.800 CB 1.433 36 residues pruned to eliminate duplicates Z: 105 61.049 2.001 0.802 0.811 0.962 0.635 CB 1.318 119 residues pruned to eliminate duplicates Z: 31 43.487 2.045 0.805 0.914 1.000 0.767 CB 1.521 31 residues pruned to eliminate duplicates Z: 55 48.205 2.001 0.800 0.803 0.963 0.796 CB 1.452 55 residues pruned to eliminate duplicates Z: 54 46.808 1.990 0.761 0.790 0.981 0.679 CB 1.449 54 residues pruned to eliminate duplicates Z: 53 52.480 2.025 0.812 0.826 1.000 0.865 CB 1.495 53 residues pruned to eliminate duplicates Z: 54 43.149 2.006 0.673 0.791 0.925 0.792 CB 1.479 54 residues pruned to eliminate duplicates Z: 49 43.291 2.000 0.799 0.716 0.938 0.771 CB 1.522 49 residues pruned to eliminate duplicates Z: 56 46.337 1.971 0.788 0.782 0.964 0.764 CB 1.434 56 residues pruned to eliminate duplicates Z: 36 38.597 2.066 0.822 0.788 0.971 0.743 CB 1.385 36 residues pruned to eliminate duplicates Z: 53 48.941 2.038 0.781 0.824 0.962 0.808 CB 1.468 53 residues pruned to eliminate duplicates Z: 38 36.213 2.044 0.683 0.771 0.946 0.757 CB 1.440 38 residues pruned to eliminate duplicates Z: 32 37.373 2.089 0.826 0.869 0.935 0.839 CB 1.374 32 residues pruned to eliminate duplicates Z: 33 42.363 2.116 0.926 0.844 0.969 0.844 CB 1.411 33 residues pruned to eliminate duplicates Z: 52 48.612 2.012 0.856 0.805 0.961 0.686 CB 1.454 52 residues pruned to eliminate duplicates Z: 55 48.572 1.993 0.847 0.788 0.944 0.704 CB 1.476 55 residues pruned to eliminate duplicates Z: 52 48.145 2.037 0.761 0.847 0.961 0.725 CB 1.452 52 residues pruned to eliminate duplicates Z: 53 43.947 2.010 0.805 0.788 0.885 0.750 CB 1.474 53 residues pruned to eliminate duplicates Z: 56 47.231 1.992 0.734 0.787 0.964 0.691 CB 1.487 56 residues pruned to eliminate duplicates Z: 53 49.974 2.017 0.896 0.820 0.942 0.692 CB 1.457 53 residues pruned to eliminate duplicates Z: 54 48.891 2.025 0.874 0.804 0.943 0.698 CB 1.438 54 residues pruned to eliminate duplicates Z: 52 50.471 2.012 0.817 0.828 0.980 0.804 CB 1.485 52 residues pruned to eliminate duplicates Z: 52 51.451 2.033 0.920 0.851 0.961 0.745 CB 1.421 52 residues pruned to eliminate duplicates Z: 41 33.605 2.023 0.745 0.703 0.900 0.625 CB 1.390 41 residues pruned to eliminate duplicates Z: 27 20.091 1.864 0.594 0.659 0.885 0.731 CB 1.293 27 residues pruned to eliminate duplicates Z: 25 23.186 1.887 0.848 0.695 0.875 0.542 CB 1.298 25 residues pruned to eliminate duplicates Z: 52 45.984 2.025 0.768 0.846 0.961 0.804 CB 1.391 52 residues pruned to eliminate duplicates Z: 52 47.385 2.030 0.825 0.837 0.941 0.765 CB 1.423 52 residues pruned to eliminate duplicates Z: 54 48.630 2.007 0.876 0.803 0.943 0.755 CB 1.444 54 residues pruned to eliminate duplicates Z: 56 45.764 1.980 0.879 0.773 0.909 0.655 CB 1.433 56 residues pruned to eliminate duplicates Z: 56 46.988 1.985 0.865 0.777 0.927 0.764 CB 1.445 56 residues pruned to eliminate duplicates Z: 51 49.619 2.043 0.917 0.830 0.940 0.780 CB 1.434 51 residues pruned to eliminate duplicates Z: 54 46.062 2.016 0.857 0.804 0.925 0.679 CB 1.402 54 residues pruned to eliminate duplicates Z: 49 43.475 1.959 0.826 0.788 0.938 0.667 CB 1.453 49 residues pruned to eliminate duplicates Z: 54 37.623 1.973 0.867 0.761 0.811 0.604 CB 1.372 54 residues pruned to eliminate duplicates Z: 57 49.583 1.981 0.853 0.779 0.964 0.696 CB 1.464 57 residues pruned to eliminate duplicates Z: 54 49.715 2.010 0.868 0.819 0.962 0.774 CB 1.433 54 residues pruned to eliminate duplicates Z: 23 21.817 1.860 0.648 0.781 0.909 0.727 CB 1.303 23 residues pruned to eliminate duplicates Z: 54 48.598 2.030 0.844 0.816 0.962 0.792 CB 1.407 54 residues pruned to eliminate duplicates Z: 53 50.577 2.026 0.811 0.822 0.962 0.673 CB 1.504 53 residues pruned to eliminate duplicates Z: 25 24.476 1.790 0.675 0.750 0.958 0.708 CB 1.392 25 residues pruned to eliminate duplicates Z: 54 49.263 2.020 0.815 0.844 0.943 0.717 CB 1.456 25 residues pruned to eliminate duplicates Z: 21 27.115 1.892 0.828 0.896 1.000 0.750 CB 1.255 20 residues pruned to eliminate duplicates Z: 22 26.531 1.865 0.941 0.903 0.952 0.429 CB 1.197 20 residues pruned to eliminate duplicates Z: 9 9.820 1.622 0.465 0.845 1.000 0.875 CB 1.086 5 residues pruned to eliminate duplicates Z: 13 13.363 1.656 0.911 0.841 1.000 0.750 CB 0.909 13 residues pruned to eliminate duplicates Z: 25 22.667 1.794 0.889 0.898 0.875 0.500 CB 1.117 25 residues pruned to eliminate duplicates Z: 30 23.727 1.812 0.749 0.838 0.966 0.586 CB 1.076 30 residues pruned to eliminate duplicates Z: 8 8.378 1.653 0.626 0.857 1.000 0.714 CB 0.868 8 residues pruned to eliminate duplicates Z: 9 10.660 1.743 0.660 0.880 1.000 0.750 CB 0.943 9 residues pruned to eliminate duplicates Z: 9 13.676 1.754 0.846 0.900 1.000 0.750 CB 1.067 9 residues pruned to eliminate duplicates Z: 7 3.099 1.165 0.663 0.327 0.833 0.500 CB 0.948 7 residues pruned to eliminate duplicates Z: 11 6.428 1.347 0.330 0.681 1.000 0.600 N 0.961 11 residues pruned to eliminate duplicates Z: 7 2.431 1.237 0.337 0.615 0.667 0.333 N 0.808 7 residues pruned to eliminate duplicates Z: 8 4.746 1.273 0.695 0.642 0.714 0.286 CB 1.019 8 residues pruned to eliminate duplicates Z: 12 7.198 1.321 0.522 0.616 1.000 0.273 CB 0.967 12 residues pruned to eliminate duplicates Z: 46 29.016 1.750 0.563 0.788 1.000 0.733 CB 1.228 46 residues pruned to eliminate duplicates Z: 44 30.090 1.776 0.534 0.826 1.000 0.814 CB 1.270 44 residues pruned to eliminate duplicates Z: 10 6.983 1.489 0.386 0.713 0.889 0.556 CB 1.045 10 residues pruned to eliminate duplicates Z: 51 33.644 1.763 0.557 0.825 0.980 0.760 CB 1.334 51 residues pruned to eliminate duplicates Z: 46 28.125 1.779 0.529 0.798 0.933 0.822 CB 1.272 46 residues pruned to eliminate duplicates Z: 42 29.362 1.759 0.607 0.818 0.927 0.756 CB 1.328 42 residues pruned to eliminate duplicates Z: 40 27.097 1.779 0.442 0.827 0.974 0.795 CB 1.308 40 residues pruned to eliminate duplicates Z: 39 31.211 1.804 0.652 0.833 0.974 0.789 CB 1.309 39 residues pruned to eliminate duplicates Z: 56 34.455 1.781 0.516 0.850 1.000 0.927 CB 1.275 56 residues pruned to eliminate duplicates Z: 45 31.272 1.806 0.513 0.842 1.000 0.864 CB 1.286 45 residues pruned to eliminate duplicates Z: 40 28.996 1.826 0.583 0.782 0.974 0.692 CB 1.285 40 residues pruned to eliminate duplicates Z: 49 26.131 1.746 0.522 0.758 0.938 0.771 CB 1.203 49 residues pruned to eliminate duplicates Z: 40 31.566 1.813 0.580 0.839 1.000 0.718 CB 1.318 40 residues pruned to eliminate duplicates Z: 45 31.150 1.774 0.604 0.821 0.977 0.818 CB 1.279 45 residues pruned to eliminate duplicates Z: 37 34.993 1.836 0.674 0.848 1.000 0.750 CB 1.408 37 residues pruned to eliminate duplicates Z: 57 40.020 1.807 0.642 0.864 1.000 0.857 CB 1.321 57 residues pruned to eliminate duplicates Z: 39 30.027 1.836 0.563 0.815 0.974 0.789 CB 1.326 39 residues pruned to eliminate duplicates Z: 43 26.773 1.754 0.483 0.789 0.976 0.690 CB 1.262 43 residues pruned to eliminate duplicates Z: 46 26.454 1.753 0.528 0.804 0.911 0.778 CB 1.239 46 residues pruned to eliminate duplicates Z: 56 33.163 1.703 0.661 0.828 1.000 0.764 CB 1.191 56 residues pruned to eliminate duplicates Z: 39 30.288 1.810 0.557 0.818 0.974 0.763 CB 1.358 39 residues pruned to eliminate duplicates Z: 40 27.599 1.803 0.505 0.817 0.923 0.795 CB 1.339 40 residues pruned to eliminate duplicates Z: 34 24.804 1.742 0.524 0.808 0.970 0.758 CB 1.282 34 residues pruned to eliminate duplicates Z: 41 29.134 1.795 0.465 0.870 0.975 0.775 CB 1.311 41 residues pruned to eliminate duplicates Z: 53 35.965 1.822 0.576 0.864 0.981 0.827 CB 1.298 53 residues pruned to eliminate duplicates Z: 47 27.030 1.750 0.548 0.786 0.957 0.804 CB 1.196 47 residues pruned to eliminate duplicates Z: 16 18.946 1.905 0.763 0.878 0.933 0.800 CB 1.132 16 residues pruned to eliminate duplicates Z: 40 30.232 1.800 0.595 0.854 0.974 0.795 CB 1.279 40 residues pruned to eliminate duplicates Z: 43 30.801 1.792 0.630 0.807 1.000 0.762 CB 1.245 43 residues pruned to eliminate duplicates Z: 40 33.268 1.814 0.615 0.846 1.000 0.769 CB 1.351 40 residues pruned to eliminate duplicates Z: 43 32.366 1.780 0.738 0.827 0.976 0.738 CB 1.247 43 residues pruned to eliminate duplicates Z: 46 34.458 1.797 0.678 0.821 1.000 0.711 CB 1.290 46 residues pruned to eliminate duplicates Z: 42 30.272 1.793 0.715 0.791 0.951 0.659 CB 1.251 42 residues pruned to eliminate duplicates Z: 22 27.941 1.869 0.972 0.895 0.952 0.619 CB 1.245 22 residues pruned to eliminate duplicates Z: 46 35.943 1.817 0.683 0.851 0.978 0.822 CB 1.327 46 residues pruned to eliminate duplicates Z: 54 37.063 1.799 0.644 0.848 0.981 0.736 CB 1.301 54 residues pruned to eliminate duplicates Z: 57 37.534 1.812 0.663 0.865 0.946 0.643 CB 1.288 57 residues pruned to eliminate duplicates Z: 45 33.784 1.820 0.694 0.820 0.977 0.750 CB 1.281 45 residues pruned to eliminate duplicates Z: 46 34.318 1.809 0.724 0.817 0.978 0.667 CB 1.274 46 residues pruned to eliminate duplicates Z: 57 33.265 1.783 0.670 0.826 0.946 0.643 CB 1.190 57 residues pruned to eliminate duplicates Z: 51 32.073 1.755 0.628 0.818 0.980 0.640 CB 1.229 51 residues pruned to eliminate duplicates Z: 52 39.459 1.825 0.662 0.862 1.000 0.765 CB 1.338 52 residues pruned to eliminate duplicates Z: 20 18.270 1.835 0.429 0.762 0.895 0.789 CB 1.416 20 residues pruned to eliminate duplicates Z: 58 37.455 1.800 0.662 0.858 0.965 0.667 CB 1.266 58 residues pruned to eliminate duplicates Z: 18 17.488 1.751 0.436 0.861 1.000 0.765 CB 1.240 18 residues pruned to eliminate duplicates Z: 19 21.306 1.779 0.557 0.832 0.944 0.722 CB 1.441 19 residues pruned to eliminate duplicates Z: 52 41.018 1.833 0.740 0.859 1.000 0.863 CB 1.324 52 residues pruned to eliminate duplicates Z: 15 15.515 1.772 0.665 0.722 0.857 0.786 CB 1.341 15 residues pruned to eliminate duplicates Z: 56 37.718 1.819 0.679 0.865 0.927 0.709 CB 1.316 56 residues pruned to eliminate duplicates Z: 18 18.774 1.795 0.553 0.820 0.882 0.765 CB 1.402 18 residues pruned to eliminate duplicates Z: 12 16.113 1.788 0.692 0.867 0.909 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 14 12.357 1.729 0.461 0.733 0.846 0.692 CB 1.301 14 residues pruned to eliminate duplicates Z: 13 12.619 1.703 0.473 0.774 0.917 0.750 CB 1.244 13 residues pruned to eliminate duplicates Z: 19 21.373 1.843 0.705 0.799 0.889 0.667 CB 1.388 19 residues pruned to eliminate duplicates Z: 16 11.878 1.675 0.548 0.715 0.800 0.400 CB 1.217 16 residues pruned to eliminate duplicates Z: 12 14.420 1.744 0.767 0.847 0.818 0.545 CB 1.280 12 residues pruned to eliminate duplicates Z: 13 11.580 1.721 0.809 0.588 0.833 0.333 CB 1.184 13 residues pruned to eliminate duplicates Z: 12 17.333 1.776 0.781 0.830 0.909 0.727 CB 1.367 12 residues pruned to eliminate duplicates Z: 14 22.756 1.948 0.735 0.776 0.923 0.692 CA 1.585 14 residues pruned to eliminate duplicates Z: 13 26.275 2.038 0.808 0.778 1.000 0.833 CB 1.610 13 residues pruned to eliminate duplicates Z: 24 19.733 1.905 0.515 0.608 0.957 0.696 CA 1.345 24 residues pruned to eliminate duplicates Z: 15 17.591 1.904 0.501 0.646 0.929 0.857 CA 1.546 15 residues pruned to eliminate duplicates Z: 50 47.758 2.046 0.641 0.869 0.980 0.776 CA 1.516 49 residues pruned to eliminate duplicates Z: 24 30.837 2.094 0.393 0.927 1.000 0.913 CA 1.545 24 residues pruned to eliminate duplicates Z: 20 32.693 2.105 0.832 0.835 0.947 0.789 CA 1.538 20 residues pruned to eliminate duplicates Z: 16 20.669 1.927 0.756 0.637 0.867 0.733 CB 1.601 16 residues pruned to eliminate duplicates Z: 24 38.607 2.108 0.753 0.907 1.000 0.870 CB 1.549 24 residues pruned to eliminate duplicates Z: 31 33.424 1.907 0.945 0.701 0.967 0.667 CB 1.418 31 residues pruned to eliminate duplicates Z: 27 31.406 2.030 0.844 0.758 0.923 0.577 CB 1.417 27 residues pruned to eliminate duplicates Z: 22 37.792 2.122 0.944 0.896 1.000 0.762 CB 1.432 22 residues pruned to eliminate duplicates Z: 30 37.789 2.047 0.847 0.826 0.897 0.517 CB 1.562 30 residues pruned to eliminate duplicates Z: 32 34.936 1.987 0.847 0.765 0.903 0.516 CB 1.496 32 residues pruned to eliminate duplicates Z: 31 45.351 2.038 0.995 0.885 0.967 0.633 CB 1.522 31 residues pruned to eliminate duplicates Z: 23 32.317 2.047 1.071 0.828 0.955 0.545 CB 1.282 23 residues pruned to eliminate duplicates Z: 30 36.899 2.020 1.012 0.802 0.897 0.345 CB 1.444 30 residues pruned to eliminate duplicates Z: 29 40.615 2.029 1.079 0.825 0.964 0.500 CB 1.425 29 residues pruned to eliminate duplicates Z: 31 49.118 2.035 1.170 0.857 0.967 0.667 CB 1.548 31 residues pruned to eliminate duplicates Z: 66 58.718 2.028 1.061 0.802 0.938 0.554 CB 1.426 66 residues pruned to eliminate duplicates Z: 28 41.378 1.991 1.208 0.923 0.926 0.444 CB 1.375 28 residues pruned to eliminate duplicates Z: 53 49.804 1.987 1.010 0.796 0.904 0.519 CB 1.477 53 residues pruned to eliminate duplicates Z: 31 51.367 2.043 1.238 0.875 1.000 0.633 CB 1.491 31 residues pruned to eliminate duplicates Z: 32 41.055 1.990 1.198 0.825 0.903 0.645 CB 1.408 32 residues pruned to eliminate duplicates Z: 32 47.346 1.992 1.271 0.855 0.935 0.452 CB 1.483 32 residues pruned to eliminate duplicates Z: 31 49.473 2.018 1.320 0.853 1.000 0.533 CB 1.426 31 residues pruned to eliminate duplicates Z: 31 47.214 2.009 1.209 0.857 0.933 0.533 CB 1.533 31 residues pruned to eliminate duplicates Z: 32 50.341 1.991 1.180 0.865 1.000 0.484 CB 1.526 32 residues pruned to eliminate duplicates Z: 7 9.021 1.528 0.588 0.856 0.833 0.667 CA 1.343 7 residues pruned to eliminate duplicates Z: 37 28.279 1.766 0.439 0.886 0.972 0.861 CB 1.376 37 residues pruned to eliminate duplicates Z: 10 7.086 1.383 0.687 0.623 0.778 0.556 CA 1.158 10 residues pruned to eliminate duplicates Z: 37 26.629 1.755 0.408 0.892 0.972 0.833 CB 1.328 37 residues pruned to eliminate duplicates Z: 8 6.451 1.494 0.434 0.613 0.857 0.571 CB 1.192 8 residues pruned to eliminate duplicates Z: 62 33.514 1.916 0.328 0.809 0.967 0.787 CB 1.332 62 residues pruned to eliminate duplicates Z: 32 23.575 1.786 0.549 0.795 0.935 0.710 CB 1.263 32 residues pruned to eliminate duplicates Z: 32 27.546 1.795 0.625 0.804 0.968 0.806 CB 1.344 32 residues pruned to eliminate duplicates Z: 32 29.565 1.777 0.645 0.850 1.000 0.774 CB 1.345 32 residues pruned to eliminate duplicates Z: 32 23.902 1.737 0.504 0.912 0.968 0.806 CB 1.203 32 residues pruned to eliminate duplicates Z: 51 36.537 1.938 0.469 0.787 0.960 0.700 CB 1.469 51 residues pruned to eliminate duplicates Z: 33 24.996 1.786 0.617 0.783 0.906 0.750 CB 1.315 33 residues pruned to eliminate duplicates Z: 31 28.162 1.798 0.592 0.832 1.000 0.767 CB 1.348 31 residues pruned to eliminate duplicates Z: 32 26.989 1.786 0.581 0.799 0.968 0.710 CB 1.365 32 residues pruned to eliminate duplicates Z: 19 21.337 1.731 0.710 0.761 0.944 0.833 CB 1.427 19 residues pruned to eliminate duplicates Z: 25 27.627 1.832 0.619 0.833 1.000 0.750 CB 1.426 25 residues pruned to eliminate duplicates Z: 47 39.805 1.920 0.529 0.841 0.978 0.848 CB 1.523 47 residues pruned to eliminate duplicates Z: 42 34.341 1.979 0.394 0.812 1.000 0.829 CB 1.483 42 residues pruned to eliminate duplicates Z: 51 39.623 1.984 0.493 0.850 0.960 0.840 CB 1.459 51 residues pruned to eliminate duplicates Z: 34 22.663 1.716 0.693 0.751 0.909 0.606 CB 1.195 34 residues pruned to eliminate duplicates Z: 30 27.785 1.785 0.794 0.857 0.966 0.690 CB 1.230 30 residues pruned to eliminate duplicates Z: 22 21.106 1.825 0.660 0.720 0.905 0.714 CB 1.377 22 residues pruned to eliminate duplicates Z: 13 15.157 2.023 0.697 0.743 0.917 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 31 26.854 1.782 0.695 0.870 0.933 0.833 CB 1.270 31 residues pruned to eliminate duplicates Z: 29 28.133 1.789 0.666 0.892 1.000 0.857 CB 1.282 29 residues pruned to eliminate duplicates Z: 49 35.692 1.931 0.538 0.822 1.000 0.875 CB 1.312 49 residues pruned to eliminate duplicates Z: 52 44.981 2.017 0.643 0.870 0.980 0.804 CB 1.415 52 residues pruned to eliminate duplicates Z: 60 39.586 1.952 0.541 0.854 0.966 0.780 CB 1.310 60 residues pruned to eliminate duplicates Z: 53 33.629 1.989 0.401 0.858 0.942 0.846 CB 1.308 53 residues pruned to eliminate duplicates Z: 41 37.990 1.989 0.614 0.772 0.975 0.700 CB 1.509 41 residues pruned to eliminate duplicates Z: 50 41.138 1.969 0.620 0.834 0.980 0.816 CB 1.410 50 residues pruned to eliminate duplicates Z: 54 41.792 2.004 0.566 0.844 0.962 0.792 CB 1.415 54 residues pruned to eliminate duplicates Z: 27 29.262 1.930 0.678 0.821 1.000 0.654 CB 1.342 27 residues pruned to eliminate duplicates Z: 51 39.658 1.960 0.647 0.836 0.940 0.700 CB 1.384 51 residues pruned to eliminate duplicates Z: 48 38.535 1.927 0.639 0.774 0.979 0.574 CB 1.428 48 residues pruned to eliminate duplicates Z: 50 37.014 2.002 0.466 0.857 0.959 0.714 CB 1.385 50 residues pruned to eliminate duplicates Z: 59 39.862 1.895 0.731 0.810 0.931 0.690 CB 1.308 59 residues pruned to eliminate duplicates Z: 53 36.164 1.973 0.476 0.835 0.962 0.769 CB 1.342 53 residues pruned to eliminate duplicates Z: 64 36.468 1.941 0.568 0.799 0.937 0.683 CB 1.241 64 residues pruned to eliminate duplicates Z: 36 34.857 1.983 0.574 0.812 1.000 0.771 CB 1.439 36 residues pruned to eliminate duplicates Z: 68 45.581 1.933 0.619 0.830 0.970 0.746 CB 1.379 68 residues pruned to eliminate duplicates Z: 60 45.458 1.942 0.626 0.886 1.000 0.763 CB 1.353 60 residues pruned to eliminate duplicates Z: 71 40.262 1.885 0.594 0.792 0.957 0.600 CB 1.295 71 residues pruned to eliminate duplicates Z: 65 42.615 1.924 0.616 0.873 0.984 0.703 CB 1.268 65 residues pruned to eliminate duplicates Z: 61 46.670 1.960 0.704 0.857 0.967 0.733 CB 1.375 61 residues pruned to eliminate duplicates Z: 58 44.597 1.963 0.694 0.846 0.965 0.719 CB 1.368 58 residues pruned to eliminate duplicates Z: 59 44.847 1.964 0.689 0.871 0.983 0.724 CB 1.318 59 residues pruned to eliminate duplicates Z: 62 41.533 1.939 0.673 0.820 0.967 0.607 CB 1.284 62 residues pruned to eliminate duplicates Z: 58 39.741 1.968 0.663 0.798 0.947 0.737 CB 1.309 58 residues pruned to eliminate duplicates Z: 62 43.415 1.938 0.680 0.848 0.984 0.705 CB 1.289 62 residues pruned to eliminate duplicates Z: 46 42.189 2.046 0.760 0.873 1.000 0.667 CB 1.272 46 residues pruned to eliminate duplicates Z: 44 40.514 1.969 0.850 0.835 1.000 0.605 CB 1.270 44 residues pruned to eliminate duplicates Z: 60 42.574 1.949 0.687 0.818 0.983 0.695 CB 1.302 60 residues pruned to eliminate duplicates Z: 13 12.392 1.952 0.372 0.696 1.000 0.583 CB 1.117 13 residues pruned to eliminate duplicates Z: 18 18.468 1.819 0.509 0.875 0.941 0.706 CB 1.260 18 residues pruned to eliminate duplicates Z: 68 46.649 1.953 0.691 0.863 0.970 0.776 CB 1.305 68 residues pruned to eliminate duplicates Z: 62 46.245 1.957 0.822 0.871 0.967 0.836 CB 1.252 62 residues pruned to eliminate duplicates Z: 62 46.487 1.986 0.816 0.888 0.951 0.607 CB 1.250 62 residues pruned to eliminate duplicates Z: 70 49.986 1.922 0.847 0.890 0.971 0.725 CB 1.256 70 residues pruned to eliminate duplicates Z: 64 51.477 1.967 0.890 0.901 0.984 0.619 CB 1.266 64 residues pruned to eliminate duplicates Z: 62 45.428 1.948 0.833 0.845 0.984 0.770 CB 1.231 62 residues pruned to eliminate duplicates Z: 64 49.918 1.931 0.964 0.861 0.984 0.587 CB 1.238 64 residues pruned to eliminate duplicates Z: 70 52.572 1.932 0.860 0.904 0.986 0.638 CB 1.272 70 residues pruned to eliminate duplicates Z: 74 50.722 1.897 0.843 0.873 0.973 0.644 CB 1.271 74 residues pruned to eliminate duplicates Z: 60 47.830 1.987 0.861 0.869 0.966 0.576 CB 1.273 60 residues pruned to eliminate duplicates Z: 62 47.559 1.964 0.868 0.841 0.967 0.689 CB 1.279 62 residues pruned to eliminate duplicates Z: 56 47.936 1.982 0.876 0.879 1.000 0.691 CB 1.261 56 residues pruned to eliminate duplicates Z: 62 47.682 1.953 0.875 0.845 0.984 0.705 CB 1.260 62 residues pruned to eliminate duplicates Z: 62 51.707 1.947 0.969 0.890 0.984 0.492 CB 1.264 62 residues pruned to eliminate duplicates Z: 57 51.014 2.045 0.739 0.885 0.964 0.804 CA 1.436 57 residues pruned to eliminate duplicates Z: 42 38.586 2.014 0.657 0.834 0.976 0.902 CA 1.387 42 residues pruned to eliminate duplicates Z: 56 52.293 2.036 0.776 0.865 1.000 0.818 CA 1.428 56 residues pruned to eliminate duplicates Z: 58 47.742 1.982 0.754 0.833 0.930 0.789 CA 1.467 58 residues pruned to eliminate duplicates Z: 66 54.540 2.072 0.702 0.862 0.969 0.815 CA 1.453 66 residues pruned to eliminate duplicates Z: 58 50.656 2.044 0.679 0.867 0.982 0.772 CA 1.455 58 residues pruned to eliminate duplicates Z: 66 47.154 1.997 0.688 0.817 0.954 0.723 CA 1.381 66 residues pruned to eliminate duplicates Z: 70 54.572 2.068 0.675 0.858 0.986 0.739 CA 1.418 70 residues pruned to eliminate duplicates Z: 55 55.477 2.037 0.769 0.872 1.000 0.815 CA 1.528 55 residues pruned to eliminate duplicates Z: 46 48.665 1.995 0.873 0.823 0.978 0.733 CA 1.500 46 residues pruned to eliminate duplicates Z: 58 50.160 2.019 0.842 0.833 0.930 0.772 CA 1.442 58 residues pruned to eliminate duplicates Z: 62 55.072 2.025 0.797 0.835 0.951 0.754 CA 1.527 62 residues pruned to eliminate duplicates Z: 56 46.782 2.028 0.725 0.817 0.964 0.782 CA 1.420 56 residues pruned to eliminate duplicates Z: 67 57.801 2.052 0.806 0.850 0.970 0.742 CA 1.466 67 residues pruned to eliminate duplicates Z: 62 54.311 2.002 0.893 0.821 0.951 0.787 CA 1.460 62 residues pruned to eliminate duplicates Z: 59 50.089 2.001 0.819 0.813 0.966 0.828 CA 1.425 59 residues pruned to eliminate duplicates Z: 55 57.898 2.053 0.894 0.878 1.000 0.722 CA 1.470 55 residues pruned to eliminate duplicates Z: 72 71.615 2.072 0.885 0.909 1.000 0.817 CA 1.544 72 residues pruned to eliminate duplicates Z: 55 55.769 2.031 0.913 0.876 0.926 0.778 CA 1.533 55 residues pruned to eliminate duplicates Z: 55 59.831 2.048 0.953 0.873 0.981 0.833 CA 1.511 55 residues pruned to eliminate duplicates Z: 65 67.823 2.110 0.827 0.903 1.000 0.891 CA 1.567 65 residues pruned to eliminate duplicates Z: 60 50.640 1.966 0.926 0.795 0.915 0.712 CA 1.469 60 residues pruned to eliminate duplicates Z: 71 70.922 2.062 1.038 0.852 0.971 0.757 CA 1.535 16 residues pruned to eliminate duplicates Z: 34 49.211 2.050 0.962 0.918 0.970 0.818 CA 1.549 34 residues pruned to eliminate duplicates Z: 56 58.592 2.033 0.872 0.868 0.982 0.764 CA 1.546 56 residues pruned to eliminate duplicates Z: 57 60.622 2.043 0.901 0.877 1.000 0.804 CA 1.515 57 residues pruned to eliminate duplicates Z: 60 61.030 2.079 0.823 0.881 1.000 0.780 CA 1.517 54 residues pruned to eliminate duplicates Z: 38 48.541 2.011 0.936 0.903 0.973 0.784 CA 1.501 38 residues pruned to eliminate duplicates Z: 67 55.235 1.986 1.004 0.774 0.909 0.742 CA 1.474 67 residues pruned to eliminate duplicates Z: 55 53.131 2.011 0.918 0.810 0.963 0.685 CA 1.486 55 residues pruned to eliminate duplicates Z: 59 62.504 2.032 0.993 0.869 1.000 0.759 CA 1.480 63 residues pruned to eliminate duplicates Z: 39 54.671 2.014 1.113 0.919 1.000 0.684 CA 1.469 39 residues pruned to eliminate duplicates Z: 63 61.532 2.063 0.903 0.881 0.984 0.710 CA 1.465 63 residues pruned to eliminate duplicates Z: 63 61.503 2.052 0.919 0.856 0.968 0.645 CA 1.511 58 residues pruned to eliminate duplicates Z: 38 54.805 2.042 1.008 0.931 1.000 0.757 CA 1.535 38 residues pruned to eliminate duplicates Z: 54 55.424 2.080 0.809 0.877 0.981 0.868 CA 1.498 54 residues pruned to eliminate duplicates Z: 61 55.498 2.021 0.914 0.851 0.967 0.817 CA 1.418 61 residues pruned to eliminate duplicates Z: 57 59.666 2.040 0.893 0.869 1.000 0.661 CA 1.509 57 residues pruned to eliminate duplicates Z: 57 57.872 2.052 0.895 0.872 1.000 0.732 CA 1.450 57 residues pruned to eliminate duplicates Z: 55 65.034 2.088 0.986 0.897 1.000 0.759 CA 1.527 55 residues pruned to eliminate duplicates Z: 73 71.868 2.079 0.874 0.902 1.000 0.847 CA 1.551 64 residues pruned to eliminate duplicates Z: 37 38.831 1.997 0.635 0.929 0.972 0.833 CB 1.427 37 residues pruned to eliminate duplicates Z: 59 60.822 2.038 0.952 0.852 0.983 0.707 CA 1.511 59 residues pruned to eliminate duplicates Z: 57 60.374 2.059 0.903 0.868 1.000 0.786 CA 1.505 57 residues pruned to eliminate duplicates Z: 60 59.656 2.012 0.948 0.820 0.983 0.695 CA 1.528 60 residues pruned to eliminate duplicates Z: 55 61.946 2.062 0.931 0.878 1.000 0.759 CA 1.537 55 residues pruned to eliminate duplicates Z: 17 30.515 1.981 1.070 0.862 1.000 0.750 CB 1.365 17 residues pruned to eliminate duplicates Z: 56 66.927 2.086 1.045 0.896 1.000 0.800 CA 1.516 56 residues pruned to eliminate duplicates Z: 59 65.590 2.047 1.061 0.845 0.983 0.759 CB 1.544 59 residues pruned to eliminate duplicates Z: 72 66.669 2.050 0.942 0.855 0.972 0.704 CB 1.509 72 residues pruned to eliminate duplicates Z: 33 41.475 2.049 0.926 0.921 0.969 0.781 CB 1.350 33 residues pruned to eliminate duplicates Z: 63 64.359 2.071 0.999 0.875 0.968 0.694 CB 1.484 63 residues pruned to eliminate duplicates Z: 22 27.947 2.104 0.964 0.840 0.905 0.667 CB 1.218 22 residues pruned to eliminate duplicates Z: 27 30.463 2.091 0.663 0.865 0.962 0.731 CB 1.309 27 residues pruned to eliminate duplicates Z: 72 71.609 2.077 0.927 0.908 1.000 0.761 CA 1.508 72 residues pruned to eliminate duplicates Z: 70 66.735 2.072 0.877 0.902 0.986 0.710 CA 1.495 70 residues pruned to eliminate duplicates Z: 74 67.088 2.052 0.884 0.900 0.973 0.808 CA 1.492 74 residues pruned to eliminate duplicates Z: 73 67.879 2.065 0.850 0.914 0.986 0.806 CA 1.503 73 residues pruned to eliminate duplicates Z: 26 40.551 2.145 0.955 0.929 0.960 0.760 CB 1.410 26 residues pruned to eliminate duplicates Z: 22 28.125 2.018 0.780 0.941 0.952 0.762 CB 1.245 22 residues pruned to eliminate duplicates Z: 27 32.794 2.042 0.836 0.908 0.923 0.615 CB 1.321 27 residues pruned to eliminate duplicates Z: 32 36.092 2.051 0.902 0.905 0.935 0.742 CB 1.265 32 residues pruned to eliminate duplicates Z: 37 44.420 2.039 0.938 0.919 1.000 0.583 CB 1.321 37 residues pruned to eliminate duplicates Z: 19 29.720 2.046 0.828 0.918 1.000 0.722 CB 1.321 19 residues pruned to eliminate duplicates Z: 21 30.688 1.987 0.901 0.947 1.000 0.850 CB 1.256 21 residues pruned to eliminate duplicates Z: 20 36.276 2.122 0.992 0.950 1.000 0.947 CB 1.358 20 residues pruned to eliminate duplicates Z: 27 37.762 2.051 1.072 0.882 0.923 0.615 CB 1.366 27 residues pruned to eliminate duplicates Z: 23 28.295 2.014 1.043 0.755 0.909 0.682 CB 1.285 23 residues pruned to eliminate duplicates Z: 20 27.383 2.069 0.973 0.832 0.947 0.632 CB 1.219 20 residues pruned to eliminate duplicates Z: 20 35.661 2.113 1.066 0.884 1.000 0.895 CB 1.354 20 residues pruned to eliminate duplicates Z: 21 35.292 2.020 1.149 0.886 1.000 0.600 CB 1.312 21 residues pruned to eliminate duplicates Z: 6 5.188 1.833 0.182 0.437 1.000 0.600 CB 1.143 7 residues pruned to eliminate duplicates Z: 14 12.819 1.504 0.370 0.832 1.000 0.846 CA 1.295 14 residues pruned to eliminate duplicates Z: 7 3.264 1.696 0.234 0.452 0.667 0.333 CB 1.004 7 residues pruned to eliminate duplicates Z: 6 2.586 1.690 -0.090 0.209 1.000 0.600 CB 1.060 Z: 29 26.712 1.741 0.619 0.862 0.964 0.821 CB 1.364 35 residues pruned to eliminate duplicates Z: 25 19.981 1.796 0.406 0.724 0.958 0.792 CB 1.376 25 residues pruned to eliminate duplicates Z: 23 19.042 1.813 0.454 0.726 0.955 0.773 CA 1.315 23 residues pruned to eliminate duplicates Z: 24 17.630 1.766 0.395 0.801 0.957 0.957 CA 1.199 24 residues pruned to eliminate duplicates Z: 23 18.023 1.777 0.488 0.739 0.909 0.864 CA 1.290 23 residues pruned to eliminate duplicates Z: 20 22.922 1.781 0.740 0.822 0.947 0.737 CA 1.355 19 residues pruned to eliminate duplicates Z: 20 24.930 1.811 0.783 0.899 0.947 0.789 CA 1.336 20 residues pruned to eliminate duplicates Z: 28 31.029 1.797 0.827 0.890 0.963 0.815 CB 1.359 28 residues pruned to eliminate duplicates Z: 22 23.813 1.816 0.701 0.829 0.952 0.762 CB 1.329 22 residues pruned to eliminate duplicates Z: 21 25.999 1.774 0.839 0.880 1.000 0.850 CB 1.292 21 residues pruned to eliminate duplicates Z: 30 30.098 1.765 0.805 0.818 1.000 0.759 CB 1.331 30 residues pruned to eliminate duplicates Z: 24 25.514 1.763 0.687 0.736 1.000 0.609 CB 1.447 24 residues pruned to eliminate duplicates Z: 30 29.641 1.761 0.865 0.799 0.966 0.690 CB 1.336 30 residues pruned to eliminate duplicates Z: 29 30.988 1.758 0.976 0.864 0.964 0.500 CB 1.282 29 residues pruned to eliminate duplicates Z: 24 24.478 1.717 0.877 0.824 0.870 0.522 CA 1.376 24 residues pruned to eliminate duplicates Z: 26 29.193 1.759 0.906 0.788 0.960 0.520 CB 1.409 26 residues pruned to eliminate duplicates Z: 20 25.669 1.786 0.894 0.845 0.947 0.579 CA 1.366 20 residues pruned to eliminate duplicates Z: 31 30.635 1.761 0.982 0.822 1.000 0.633 CB 1.212 31 residues pruned to eliminate duplicates Z: 28 36.002 1.816 1.027 0.899 0.963 0.741 CB 1.397 29 residues pruned to eliminate duplicates Z: 27 34.998 1.787 1.058 0.951 1.000 0.808 CB 1.287 27 residues pruned to eliminate duplicates Z: 30 28.991 1.749 0.901 0.844 0.966 0.690 CB 1.248 30 residues pruned to eliminate duplicates Z: 29 28.160 1.736 0.884 0.867 0.964 0.607 CB 1.235 29 residues pruned to eliminate duplicates Z: 30 29.196 1.735 0.870 0.865 0.966 0.586 CB 1.268 30 residues pruned to eliminate duplicates Z: 29 31.675 1.773 0.976 0.878 1.000 0.643 CB 1.240 29 residues pruned to eliminate duplicates Z: 29 30.213 1.789 0.835 0.864 0.964 0.607 CB 1.322 29 residues pruned to eliminate duplicates Z: 29 29.030 1.767 0.896 0.911 1.000 0.714 CB 1.161 29 residues pruned to eliminate duplicates Z: 30 30.667 1.771 0.839 0.914 1.000 0.793 CB 1.236 30 residues pruned to eliminate duplicates Z: 28 32.563 1.776 0.938 0.917 1.000 0.667 CB 1.285 28 residues pruned to eliminate duplicates Z: 27 19.194 1.836 0.223 0.895 0.923 0.923 CA 1.302 27 residues pruned to eliminate duplicates Z: 28 19.632 1.773 0.263 0.861 0.963 0.889 CA 1.287 28 residues pruned to eliminate duplicates Z: 25 20.790 1.797 0.245 0.922 1.000 0.958 CA 1.335 25 residues pruned to eliminate duplicates Z: 26 17.104 1.783 0.189 0.887 1.000 0.920 CA 1.163 26 residues pruned to eliminate duplicates Z: 38 32.453 1.900 0.567 0.841 0.973 0.838 CA 1.374 65 residues pruned to eliminate duplicates Z: 26 22.013 1.804 0.519 0.906 0.960 0.880 CA 1.191 Z: 26 22.497 1.791 0.541 0.908 0.880 0.800 CA 1.316 26 residues pruned to eliminate duplicates Z: 20 15.914 1.708 0.309 0.862 0.947 0.789 CA 1.266 20 residues pruned to eliminate duplicates Z: 12 12.532 1.744 0.271 0.834 0.909 0.909 N 1.405 12 residues pruned to eliminate duplicates Z: 26 19.066 1.784 0.266 0.904 1.000 0.920 CA 1.203 26 residues pruned to eliminate duplicates Z: 13 18.694 1.763 0.497 0.930 1.000 0.917 CA 1.430 13 residues pruned to eliminate duplicates Z: 25 24.137 1.804 0.594 0.859 1.000 0.917 CA 1.261 25 residues pruned to eliminate duplicates Z: 26 27.851 1.802 0.607 0.935 0.960 0.760 CA 1.396 26 residues pruned to eliminate duplicates Z: 25 26.708 1.821 0.613 0.945 0.958 0.875 CA 1.341 25 residues pruned to eliminate duplicates Z: 25 24.076 1.826 0.471 0.870 1.000 0.792 CA 1.336 25 residues pruned to eliminate duplicates Z: 25 23.400 1.778 0.649 0.864 0.958 0.875 CA 1.246 25 residues pruned to eliminate duplicates Z: 25 24.171 1.825 0.531 0.865 0.958 0.875 CA 1.351 25 residues pruned to eliminate duplicates Z: 30 18.582 1.746 0.557 0.697 0.862 0.552 CB 1.231 30 residues pruned to eliminate duplicates Z: 42 34.317 1.907 0.689 0.820 0.951 0.780 CB 1.326 68 residues pruned to eliminate duplicates Z: 37 25.207 1.834 0.667 0.744 0.861 0.639 CB 1.283 37 residues pruned to eliminate duplicates Z: 34 24.033 1.797 0.679 0.743 0.909 0.788 CA 1.227 10 residues pruned to eliminate duplicates Z: 27 27.901 1.740 0.719 0.928 1.000 0.731 CA 1.281 25 residues pruned to eliminate duplicates Z: 25 30.285 1.830 0.721 0.931 1.000 0.833 CA 1.371 25 residues pruned to eliminate duplicates Z: 28 24.241 1.754 0.597 0.843 0.926 0.704 CB 1.339 28 residues pruned to eliminate duplicates Z: 25 26.522 1.784 0.974 0.865 0.958 0.792 CB 1.175 25 residues pruned to eliminate duplicates Z: 41 34.280 1.891 0.755 0.821 0.950 0.725 CB 1.301 41 residues pruned to eliminate duplicates Z: 50 38.687 2.025 0.698 0.710 0.918 0.735 CA 1.446 50 residues pruned to eliminate duplicates Z: 56 52.917 2.068 0.789 0.848 0.964 0.818 CA 1.484 56 residues pruned to eliminate duplicates Z: 30 37.175 2.126 0.663 0.944 1.000 0.966 CA 1.353 30 residues pruned to eliminate duplicates Z: 13 24.728 2.034 0.839 0.937 1.000 0.833 CA 1.328 13 residues pruned to eliminate duplicates Z: 30 41.882 2.140 0.809 0.931 1.000 0.793 CA 1.404 30 residues pruned to eliminate duplicates Z: 30 44.800 2.123 0.921 0.943 1.000 0.931 CA 1.414 30 residues pruned to eliminate duplicates Z: 55 53.813 2.074 0.885 0.823 0.981 0.833 CB 1.443 55 residues pruned to eliminate duplicates Z: 30 52.834 2.114 1.220 0.958 1.000 0.759 CA 1.434 30 residues pruned to eliminate duplicates Z: 56 61.225 2.077 0.977 0.866 1.000 0.745 CB 1.471 61 residues pruned to eliminate duplicates Z: 30 42.699 2.128 0.894 0.914 1.000 0.862 CA 1.391 30 residues pruned to eliminate duplicates Z: 32 48.664 2.101 1.062 0.871 1.000 0.742 CB 1.471 32 residues pruned to eliminate duplicates Z: 29 53.745 2.154 1.193 0.946 1.000 0.750 CA 1.487 29 residues pruned to eliminate duplicates Z: 29 48.698 2.172 1.104 0.937 1.000 0.786 CA 1.401 29 residues pruned to eliminate duplicates Z: 32 48.304 2.124 1.078 0.881 0.968 0.742 CA 1.471 32 residues pruned to eliminate duplicates Z: 30 52.972 2.132 1.117 0.950 1.000 0.862 CA 1.503 30 residues pruned to eliminate duplicates Z: 56 53.899 2.072 0.960 0.844 0.945 0.727 CB 1.409 56 residues pruned to eliminate duplicates Z: 52 40.393 2.029 0.693 0.707 0.961 0.667 CB 1.421 52 residues pruned to eliminate duplicates Z: 30 52.738 2.133 1.173 0.948 1.000 0.828 CA 1.460 30 residues pruned to eliminate duplicates Z: 54 54.195 2.076 0.960 0.827 0.962 0.660 CB 1.432 54 residues pruned to eliminate duplicates Z: 41 40.793 2.081 0.869 0.768 0.925 0.850 CB 1.413 41 residues pruned to eliminate duplicates Z: 45 39.612 2.020 0.864 0.728 0.932 0.636 CB 1.385 45 residues pruned to eliminate duplicates Z: 31 47.980 2.124 1.036 0.915 1.000 0.733 CA 1.431 31 residues pruned to eliminate duplicates Z: 30 46.967 2.140 1.005 0.955 1.000 0.828 CA 1.397 30 residues pruned to eliminate duplicates Z: 30 47.162 2.153 0.988 0.948 1.000 0.828 CA 1.413 30 residues pruned to eliminate duplicates Z: 30 52.109 2.139 1.107 0.939 1.000 0.793 CA 1.492 30 residues pruned to eliminate duplicates Z: 30 50.686 2.134 1.111 0.941 1.000 0.862 CA 1.449 30 residues pruned to eliminate duplicates Z: 61 58.854 2.055 0.885 0.854 0.983 0.750 CB 1.473 56 residues pruned to eliminate duplicates Z: 29 43.139 2.123 1.002 0.941 0.929 0.536 CA 1.434 29 residues pruned to eliminate duplicates Z: 40 42.264 2.087 0.852 0.793 0.923 0.641 CA 1.467 40 residues pruned to eliminate duplicates Z: 9 5.918 2.047 0.020 0.567 0.750 0.500 CB 1.252 9 residues pruned to eliminate duplicates Z: 32 29.446 1.929 0.602 0.808 0.935 0.839 CB 1.399 32 residues pruned to eliminate duplicates Z: 34 24.419 1.915 0.651 0.748 0.818 0.697 CB 1.317 34 residues pruned to eliminate duplicates Z: 54 54.910 2.077 0.976 0.836 0.943 0.755 CA 1.458 54 residues pruned to eliminate duplicates Z: 9 8.813 2.052 0.328 0.614 0.875 0.625 CB 1.173 9 residues pruned to eliminate duplicates Z: 12 7.830 1.878 0.393 0.390 0.818 0.364 CB 1.240 12 residues pruned to eliminate duplicates Z: 11 7.166 1.893 0.245 0.497 0.800 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 15 6.349 1.837 0.368 0.426 0.714 0.571 CB 1.020 15 residues pruned to eliminate duplicates Z: 41 43.310 2.052 0.901 0.791 0.925 0.725 CB 1.471 41 residues pruned to eliminate duplicates Z: 50 45.307 2.021 1.067 0.722 0.939 0.571 CA 1.351 50 residues pruned to eliminate duplicates Z: 21 14.378 1.916 0.448 0.521 0.850 0.700 CA 1.335 21 residues pruned to eliminate duplicates Z: 39 34.685 2.079 0.710 0.687 1.000 0.789 CA 1.334 39 residues pruned to eliminate duplicates Z: 28 19.844 1.875 0.528 0.660 0.852 0.556 CB 1.349 28 residues pruned to eliminate duplicates Z: 51 48.349 2.030 0.957 0.807 0.960 0.660 CA 1.371 51 residues pruned to eliminate duplicates Z: 31 28.934 1.970 0.472 0.847 0.933 0.833 CA 1.449 31 residues pruned to eliminate duplicates Z: 21 24.890 2.004 0.724 0.733 0.900 0.800 CA 1.451 21 residues pruned to eliminate duplicates Z: 39 27.691 1.952 0.656 0.689 0.921 0.632 CA 1.269 39 residues pruned to eliminate duplicates Z: 61 53.130 2.029 0.910 0.842 0.933 0.667 CB 1.412 61 residues pruned to eliminate duplicates Z: 60 60.234 2.055 0.981 0.861 0.966 0.712 CB 1.465 61 residues pruned to eliminate duplicates Z: 17 24.967 1.997 0.665 0.905 1.000 0.812 CB 1.336 17 residues pruned to eliminate duplicates Z: 33 31.098 1.943 0.706 0.799 0.938 0.562 CB 1.361 33 residues pruned to eliminate duplicates Z: 23 22.685 1.925 0.631 0.815 0.909 0.636 CB 1.289 22 residues pruned to eliminate duplicates Z: 29 33.596 1.919 0.883 0.885 1.000 0.679 CB 1.268 29 residues pruned to eliminate duplicates Z: 61 56.900 2.052 0.917 0.846 0.983 0.617 CB 1.410 61 residues pruned to eliminate duplicates Z: 20 22.168 1.900 0.792 0.782 0.947 0.526 CB 1.229 20 residues pruned to eliminate duplicates Z: 30 27.413 1.989 0.617 0.840 0.931 0.552 CB 1.269 30 residues pruned to eliminate duplicates Z: 12 18.614 1.907 0.887 0.910 1.000 0.818 CB 1.106 13 residues pruned to eliminate duplicates Z: 14 17.248 1.788 0.922 0.910 1.000 0.769 CB 0.987 12 residues pruned to eliminate duplicates Z: 29 26.622 1.901 0.523 0.863 0.929 0.750 CA 1.373 29 residues pruned to eliminate duplicates Z: 25 29.612 2.053 0.431 0.954 1.000 0.958 CA 1.414 25 residues pruned to eliminate duplicates Z: 53 39.319 2.004 0.498 0.830 0.942 0.846 CA 1.449 53 residues pruned to eliminate duplicates Z: 47 38.366 2.021 0.460 0.839 0.913 0.761 CB 1.568 47 residues pruned to eliminate duplicates Z: 28 36.522 1.980 0.752 0.870 1.000 0.778 CA 1.479 28 residues pruned to eliminate duplicates Z: 34 28.337 1.954 0.508 0.779 0.909 0.697 CA 1.440 34 residues pruned to eliminate duplicates Z: 24 30.783 2.025 0.856 0.761 0.913 0.609 CA 1.483 23 residues pruned to eliminate duplicates Z: 26 37.033 2.014 0.795 0.917 0.960 0.840 CA 1.506 26 residues pruned to eliminate duplicates Z: 33 31.338 1.872 0.842 0.763 0.875 0.750 CB 1.454 33 residues pruned to eliminate duplicates Z: 34 32.829 1.973 0.707 0.694 0.909 0.606 CA 1.564 34 residues pruned to eliminate duplicates Z: 28 35.779 1.973 0.891 0.888 0.889 0.778 CA 1.496 28 residues pruned to eliminate duplicates Z: 42 42.846 2.005 0.729 0.785 0.927 0.732 CA 1.621 42 residues pruned to eliminate duplicates Z: 19 43.047 2.142 1.025 0.895 1.000 0.611 CA 1.677 19 residues pruned to eliminate duplicates Z: 28 38.193 2.013 0.743 0.930 0.963 0.704 CA 1.522 28 residues pruned to eliminate duplicates Z: 33 31.776 1.905 0.797 0.764 0.875 0.656 CB 1.484 33 residues pruned to eliminate duplicates Z: 20 36.924 2.120 0.859 0.892 0.947 0.632 CA 1.630 20 residues pruned to eliminate duplicates Z: 28 40.699 2.007 0.910 0.919 0.963 0.667 CA 1.495 28 residues pruned to eliminate duplicates Z: 26 39.681 2.058 0.778 0.926 0.960 0.760 CA 1.584 26 residues pruned to eliminate duplicates Z: 28 39.250 2.001 0.863 0.921 0.963 0.704 CA 1.481 28 residues pruned to eliminate duplicates Z: 28 39.267 1.984 0.930 0.874 0.926 0.667 CB 1.551 28 residues pruned to eliminate duplicates Z: 33 37.236 1.988 0.853 0.760 0.906 0.656 CA 1.566 33 residues pruned to eliminate duplicates Z: 28 41.307 2.007 0.954 0.915 0.963 0.815 CA 1.487 28 residues pruned to eliminate duplicates Z: 26 43.418 2.017 1.007 0.929 1.000 0.880 CB 1.501 26 residues pruned to eliminate duplicates Z: 27 37.579 2.011 0.836 0.923 0.962 0.846 CA 1.459 27 residues pruned to eliminate duplicates Z: 27 41.755 2.033 0.881 0.943 1.000 0.808 CA 1.484 27 residues pruned to eliminate duplicates Z: 20 24.929 1.864 0.469 0.915 1.000 1.000 CB 1.476 20 residues pruned to eliminate duplicates Z: 26 28.260 1.871 0.527 0.810 0.960 0.760 CB 1.573 26 residues pruned to eliminate duplicates Z: 12 17.045 1.884 0.681 0.661 1.000 0.636 CA 1.398 12 residues pruned to eliminate duplicates Z: 49 30.085 1.783 0.620 0.766 0.896 0.542 CB 1.326 49 residues pruned to eliminate duplicates Z: 21 23.497 1.837 0.628 0.784 0.950 0.800 CA 1.440 21 residues pruned to eliminate duplicates Z: 19 25.049 1.900 0.724 0.772 0.944 0.722 CB 1.501 19 residues pruned to eliminate duplicates Z: 42 35.918 1.833 0.676 0.846 0.927 0.756 CB 1.464 42 residues pruned to eliminate duplicates Z: 20 25.258 1.838 0.566 0.849 1.000 0.789 CB 1.492 20 residues pruned to eliminate duplicates Z: 18 30.033 1.926 0.812 0.858 1.000 0.588 CB 1.536 18 residues pruned to eliminate duplicates Z: 26 21.415 1.747 0.758 0.692 0.880 0.360 CB 1.329 26 residues pruned to eliminate duplicates Z: 19 26.625 1.843 0.893 0.823 0.944 0.444 CB 1.439 19 residues pruned to eliminate duplicates Z: 17 18.445 1.754 0.970 0.669 0.938 0.250 CB 1.217 17 residues pruned to eliminate duplicates Z: 19 22.286 1.773 0.897 0.817 1.000 0.389 CB 1.186 19 residues pruned to eliminate duplicates Z: 19 26.633 1.861 0.942 0.828 0.944 0.611 CB 1.384 19 residues pruned to eliminate duplicates Z: 28 31.784 1.835 0.881 0.902 1.000 0.630 CB 1.264 28 residues pruned to eliminate duplicates Z: 17 21.190 1.793 1.048 0.738 0.938 0.688 CB 1.243 17 residues pruned to eliminate duplicates Z: 17 18.822 1.761 0.740 0.903 1.000 0.562 CB 1.095 17 residues pruned to eliminate duplicates Z: 15 14.025 1.727 1.092 0.736 0.857 0.571 CB 0.979 15 residues pruned to eliminate duplicates Z: 17 16.163 1.722 0.710 0.812 0.938 0.438 CB 1.115 17 residues pruned to eliminate duplicates Z: 52 41.377 1.832 0.882 0.882 0.980 0.608 CB 1.241 52 residues pruned to eliminate duplicates Z: 28 32.198 1.811 1.001 0.921 1.000 0.704 CB 1.204 27 residues pruned to eliminate duplicates Z: 27 35.057 1.861 1.009 0.946 1.000 0.731 CB 1.272 27 residues pruned to eliminate duplicates Z: 12 16.245 1.776 0.801 0.903 0.909 0.545 CB 1.200 13 residues pruned to eliminate duplicates Z: 16 18.299 1.736 0.740 0.868 1.000 0.533 CB 1.143 16 residues pruned to eliminate duplicates Z: 27 32.297 1.852 1.012 0.895 1.000 0.538 CB 1.218 27 residues pruned to eliminate duplicates Z: 49 26.971 1.700 0.793 0.724 0.896 0.604 CB 1.165 49 residues pruned to eliminate duplicates Z: 28 34.729 1.828 1.080 0.907 1.000 0.593 CB 1.249 28 residues pruned to eliminate duplicates Z: 20 13.829 1.456 0.303 0.884 1.000 0.789 CA 1.208 20 residues pruned to eliminate duplicates Z: 19 17.487 1.586 0.569 0.900 0.889 0.667 CB 1.330 19 residues pruned to eliminate duplicates Z: 19 12.560 1.446 0.310 0.742 1.000 0.778 CB 1.258 19 residues pruned to eliminate duplicates Z: 20 16.923 1.546 0.536 0.830 0.947 0.789 CB 1.298 20 residues pruned to eliminate duplicates Z: 21 15.971 1.541 0.444 0.833 0.950 0.650 CB 1.267 21 residues pruned to eliminate duplicates Z: 19 13.201 1.510 0.545 0.696 0.889 0.722 CA 1.255 19 residues pruned to eliminate duplicates Z: 11 11.196 1.627 0.621 0.740 0.900 0.800 CA 1.203 11 residues pruned to eliminate duplicates Z: 21 13.199 1.526 0.637 0.661 0.800 0.650 CB 1.272 17 residues pruned to eliminate duplicates Z: 19 16.824 1.506 0.655 0.884 0.889 0.833 CA 1.293 19 residues pruned to eliminate duplicates Z: 15 13.050 1.622 0.422 0.800 0.857 0.643 CA 1.357 15 residues pruned to eliminate duplicates Z: 11 11.522 1.651 0.469 0.779 0.900 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 15 8.923 1.513 0.505 0.812 0.786 0.500 CB 1.016 15 residues pruned to eliminate duplicates Z: 16 12.750 1.594 0.557 0.789 0.800 0.533 CB 1.287 16 residues pruned to eliminate duplicates Z: 19 13.235 1.566 0.577 0.687 0.833 0.556 CB 1.278 21 residues pruned to eliminate duplicates Z: 22 18.251 1.502 0.706 0.872 0.857 0.762 CB 1.322 26 residues pruned to eliminate duplicates Z: 22 18.568 1.510 0.620 0.884 0.905 0.762 CB 1.323 22 residues pruned to eliminate duplicates Z: 17 14.760 1.612 0.602 0.793 0.875 0.750 CB 1.262 15 residues pruned to eliminate duplicates Z: 6 4.519 1.493 0.431 0.868 1.000 1.000 CB 0.691 4 residues pruned to eliminate duplicates Z: 27 20.919 1.510 0.649 0.918 0.962 0.731 CB 1.208 26 residues pruned to eliminate duplicates Z: 7 5.627 1.541 0.165 0.892 1.000 0.833 CB 0.920 7 residues pruned to eliminate duplicates Z: 7 2.635 1.549 0.180 0.720 0.833 0.500 CB 0.579 5 residues pruned to eliminate duplicates Z: 29 19.256 1.521 0.612 0.880 0.964 0.571 CB 1.116 29 residues pruned to eliminate duplicates Z: 7 6.162 1.496 0.309 0.772 1.000 0.833 CB 1.009 7 residues pruned to eliminate duplicates Z: 8 5.754 1.468 0.469 0.721 0.857 0.714 CB 0.964 8 residues pruned to eliminate duplicates Z: 7 9.713 1.528 0.706 0.831 1.000 0.500 CB 1.143 7 residues pruned to eliminate duplicates Z: 6 10.452 1.546 0.819 0.866 1.000 0.600 CB 1.216 6 residues pruned to eliminate duplicates Z: 8 9.732 1.526 0.730 0.904 1.000 0.571 CB 0.992 8 residues pruned to eliminate duplicates Z: 11 13.633 1.464 0.937 0.860 1.000 0.700 CA 1.118 11 residues pruned to eliminate duplicates Z: 19 14.393 1.414 0.589 0.913 1.000 0.778 CB 1.068 14 residues pruned to eliminate duplicates Z: 21 16.004 1.401 0.655 0.900 0.950 0.750 CA 1.160 18 residues pruned to eliminate duplicates Z: 12 14.795 1.452 0.805 0.916 1.000 0.636 CB 1.201 12 residues pruned to eliminate duplicates Z: 9 10.904 1.556 0.715 0.770 0.875 0.500 CB 1.300 9 residues pruned to eliminate duplicates Z: 13 9.899 1.448 0.606 0.881 0.917 0.667 CB 0.971 13 residues pruned to eliminate duplicates Z: 6 4.554 1.437 0.541 0.758 1.000 0.800 CB 0.731 6 residues pruned to eliminate duplicates Z: 11 6.647 1.364 0.407 0.843 0.900 0.800 CB 0.907 11 residues pruned to eliminate duplicates Z: 11 6.544 1.413 0.452 0.822 0.900 0.600 CB 0.848 11 residues pruned to eliminate duplicates Z: 10 6.730 1.439 0.617 0.806 0.889 0.667 CB 0.830 10 residues pruned to eliminate duplicates Z: 11 8.080 1.440 0.550 0.844 0.900 0.600 CB 0.947 11 residues pruned to eliminate duplicates Z: 9 3.733 1.290 0.269 0.638 0.750 0.500 CB 0.945 8 residues pruned to eliminate duplicates Z: 10 8.792 1.387 0.557 0.899 1.000 0.778 CB 0.970 11 residues pruned to eliminate duplicates Z: 8 7.132 1.330 0.364 0.866 1.000 0.857 O 1.088 8 residues pruned to eliminate duplicates Z: 11 6.884 1.505 0.283 0.625 0.900 0.700 CA 1.115 11 residues pruned to eliminate duplicates Z: 9 8.074 1.474 0.319 0.819 1.000 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 9 7.281 1.503 0.322 0.843 0.875 0.750 CB 1.103 9 residues pruned to eliminate duplicates Z: 11 6.546 1.474 0.195 0.690 0.900 0.600 CB 1.097 11 residues pruned to eliminate duplicates Z: 15 8.797 1.441 0.206 0.768 0.929 0.786 CB 1.149 14 residues pruned to eliminate duplicates Z: 9 7.758 1.478 0.628 0.872 0.875 0.625 CB 0.950 9 residues pruned to eliminate duplicates Z: 7 5.146 1.634 0.332 0.403 0.833 0.333 CA 1.283 7 residues pruned to eliminate duplicates Z: 8 5.421 1.612 0.459 0.591 0.714 0.286 CB 1.118 8 residues pruned to eliminate duplicates Z: 13 9.694 1.514 0.698 0.762 0.833 0.667 CB 1.036 13 residues pruned to eliminate duplicates Z: 15 11.787 1.520 0.560 0.715 0.929 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 18 13.883 1.526 0.559 0.869 1.000 0.765 CB 1.034 18 residues pruned to eliminate duplicates Z: 15 10.130 1.511 0.409 0.818 0.929 0.714 CB 1.038 15 residues pruned to eliminate duplicates Z: 15 10.836 1.532 0.255 0.870 1.000 0.857 CB 1.100 15 residues pruned to eliminate duplicates Z: 10 8.757 1.563 0.212 0.891 1.000 1.000 CB 1.108 10 residues pruned to eliminate duplicates Z: 17 13.059 1.558 0.381 0.831 1.000 0.750 CB 1.140 17 residues pruned to eliminate duplicates Z: 11 10.651 1.461 0.367 0.896 1.000 0.800 CB 1.208 11 residues pruned to eliminate duplicates Z: 10 6.932 1.429 0.244 0.797 0.889 0.778 CB 1.128 10 residues pruned to eliminate duplicates Z: 13 9.572 1.442 0.415 0.690 0.917 0.583 O 1.242 13 residues pruned to eliminate duplicates Z: 14 11.278 1.539 0.429 0.672 0.923 0.615 N 1.313 14 residues pruned to eliminate duplicates Z: 14 10.418 1.505 0.599 0.646 0.923 0.692 N 1.135 14 residues pruned to eliminate duplicates Z: 13 14.144 1.531 0.557 0.859 1.000 0.667 CB 1.260 13 residues pruned to eliminate duplicates Z: 16 7.826 1.422 0.405 0.592 0.867 0.600 N 1.069 16 residues pruned to eliminate duplicates Z: 13 10.818 1.464 0.520 0.819 0.917 0.583 N 1.161 13 residues pruned to eliminate duplicates Z: 20 11.648 1.506 0.536 0.653 0.842 0.526 CB 1.189 20 residues pruned to eliminate duplicates Z: 15 8.394 1.433 0.273 0.634 0.857 0.643 N 1.265 15 residues pruned to eliminate duplicates 544 residues left after pruning, divided into chains as follows: A: 65 B: 66 C: 55 D: 70 E: 28 F: 120 G: 54 H: 23 I: 63 CC for partial structure against native data = 49.07 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.458, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.535, Connect. = 0.761 for dens.mod. cycle 2 = 0.300, Contrast = 0.644, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.657, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.667, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.671, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.673, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.675, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.676, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.676, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2613 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 573 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 31.527 1.876 0.893 0.843 0.955 0.727 CA 1.477 B: 38 48.768 2.007 0.908 0.930 1.000 0.811 CA 1.464 23 residues pruned to eliminate duplicates C: 21 28.489 1.910 0.892 0.861 0.900 0.800 CA 1.439 D: 29 41.122 2.058 0.677 0.939 1.000 0.821 CB 1.565 E: 38 46.660 2.017 0.906 0.928 1.000 0.784 CA 1.397 38 residues pruned to eliminate duplicates F: 29 30.328 2.073 0.542 0.946 0.964 0.821 CB 1.287 G: 20 28.492 2.021 0.709 0.872 1.000 0.789 CB 1.380 H: 30 28.558 2.088 0.347 0.944 1.000 0.828 CB 1.305 30 residues pruned to eliminate duplicates I: 17 22.404 2.154 0.411 0.916 0.938 0.875 CB 1.389 17 residues pruned to eliminate duplicates J: 25 32.191 2.123 0.611 0.925 1.000 0.833 CB 1.348 24 residues pruned to eliminate duplicates K: 29 54.735 2.122 1.281 0.935 1.000 0.643 CB 1.489 L: 29 48.510 2.142 1.023 0.940 1.000 0.821 CA 1.469 29 residues pruned to eliminate duplicates M: 37 41.906 2.012 0.766 0.937 0.972 0.833 CB 1.408 N: 54 53.670 2.088 0.836 0.789 0.981 0.660 CA 1.520 51 residues pruned to eliminate duplicates O: 37 45.637 1.998 0.819 0.953 1.000 0.861 CA 1.441 37 residues pruned to eliminate duplicates P: 28 26.793 1.930 0.453 0.924 0.963 0.852 CA 1.341 Q: 34 46.478 2.120 1.007 0.949 0.970 0.545 CB 1.353 35 residues pruned to eliminate duplicates R: 27 36.065 1.963 0.925 0.928 0.923 0.577 CB 1.420 27 residues pruned to eliminate duplicates S: 37 45.960 2.018 0.975 0.935 0.972 0.722 CB 1.377 37 residues pruned to eliminate duplicates T: 31 42.545 1.976 0.841 0.917 1.000 0.767 CB 1.507 20 residues pruned to eliminate duplicates U: 36 46.566 2.049 1.147 0.942 0.943 0.543 CB 1.317 35 residues pruned to eliminate duplicates V: 30 29.037 1.805 0.685 0.866 1.000 0.724 CB 1.298 W: 32 31.688 2.011 0.577 0.952 1.000 0.871 CB 1.236 28 residues pruned to eliminate duplicates X: 28 29.051 1.936 0.631 0.901 0.926 0.778 CA 1.365 21 residues pruned to eliminate duplicates Y: 24 31.934 2.175 0.537 0.944 1.000 0.870 CB 1.379 24 residues pruned to eliminate duplicates Z: 23 37.260 2.142 0.642 0.949 1.000 0.864 CB 1.559 23 residues pruned to eliminate duplicates Z: 27 30.668 1.967 0.678 0.922 0.962 0.885 CA 1.333 27 residues pruned to eliminate duplicates Z: 31 31.990 2.039 0.533 0.934 1.000 0.900 CB 1.303 31 residues pruned to eliminate duplicates Z: 38 45.529 1.993 0.910 0.906 0.973 0.649 CA 1.438 38 residues pruned to eliminate duplicates Z: 55 56.051 2.073 0.923 0.834 0.981 0.741 CA 1.461 55 residues pruned to eliminate duplicates Z: 30 40.051 2.031 0.713 0.922 1.000 0.828 CB 1.503 30 residues pruned to eliminate duplicates Z: 28 32.240 2.026 0.803 0.921 0.963 0.593 CB 1.241 28 residues pruned to eliminate duplicates Z: 26 27.967 2.016 0.446 0.872 0.920 0.800 CB 1.520 26 residues pruned to eliminate duplicates Z: 30 37.512 2.058 0.681 0.934 1.000 0.793 CA 1.405 30 residues pruned to eliminate duplicates Z: 37 48.638 2.030 1.114 0.930 1.000 0.556 CB 1.321 37 residues pruned to eliminate duplicates Z: 36 48.481 2.063 1.139 0.949 0.971 0.543 CB 1.319 36 residues pruned to eliminate duplicates Z: 29 40.159 2.101 0.803 0.932 1.000 0.857 CA 1.399 29 residues pruned to eliminate duplicates Z: 30 46.617 2.128 0.946 0.923 1.000 0.828 CA 1.469 30 residues pruned to eliminate duplicates Z: 24 39.012 2.121 0.701 0.943 1.000 0.957 CB 1.562 24 residues pruned to eliminate duplicates Z: 29 37.498 2.081 0.558 0.926 1.000 0.821 CB 1.533 29 residues pruned to eliminate duplicates Z: 24 32.761 1.893 0.856 0.934 1.000 0.739 CA 1.357 24 residues pruned to eliminate duplicates Z: 28 41.301 1.950 0.883 0.926 1.000 0.778 CA 1.518 28 residues pruned to eliminate duplicates Z: 29 51.443 2.153 1.200 0.927 1.000 0.714 CA 1.439 29 residues pruned to eliminate duplicates Z: 30 39.704 2.086 0.740 0.924 1.000 0.931 CA 1.427 29 residues pruned to eliminate duplicates Z: 31 40.735 2.010 0.775 0.929 1.000 0.767 CB 1.459 32 residues pruned to eliminate duplicates Z: 37 49.065 2.004 1.181 0.925 0.972 0.528 CB 1.351 37 residues pruned to eliminate duplicates Z: 30 28.526 2.056 0.392 0.931 1.000 0.724 CB 1.293 30 residues pruned to eliminate duplicates Z: 38 45.333 1.995 0.826 0.919 0.973 0.757 CA 1.482 38 residues pruned to eliminate duplicates Z: 38 43.555 1.994 0.809 0.914 1.000 0.757 CA 1.404 38 residues pruned to eliminate duplicates Z: 30 40.129 2.087 0.747 0.946 0.966 0.759 CB 1.464 30 residues pruned to eliminate duplicates Z: 42 33.805 1.928 0.781 0.708 0.976 0.634 CB 1.305 42 residues pruned to eliminate duplicates Z: 28 32.543 1.787 0.822 0.943 1.000 0.778 CB 1.333 Z: 21 39.734 2.028 1.133 0.912 0.950 0.900 CB 1.531 21 residues pruned to eliminate duplicates Z: 26 30.131 2.017 0.570 0.918 0.960 0.880 CA 1.398 26 residues pruned to eliminate duplicates Z: 18 20.355 1.894 0.791 0.810 0.882 0.647 CA 1.258 18 residues pruned to eliminate duplicates Z: 30 41.714 2.057 0.817 0.934 1.000 0.793 CB 1.445 30 residues pruned to eliminate duplicates Z: 20 36.063 2.139 0.796 0.930 1.000 0.737 CB 1.507 20 residues pruned to eliminate duplicates Z: 18 23.999 1.917 0.404 0.931 1.000 0.941 CA 1.511 Z: 23 16.303 1.680 0.355 0.858 0.955 0.818 CA 1.178 Z: 22 35.193 2.006 1.005 0.892 1.000 0.619 CB 1.372 22 residues pruned to eliminate duplicates Z: 23 37.988 2.066 0.793 0.912 0.955 0.636 CA 1.622 23 residues pruned to eliminate duplicates Z: 30 43.881 2.086 0.813 0.933 1.000 0.690 CB 1.503 30 residues pruned to eliminate duplicates Z: 21 23.202 1.779 0.935 0.933 1.000 0.650 CB 1.051 Z: 41 45.733 1.898 0.965 0.892 1.000 0.825 CB 1.393 41 residues pruned to eliminate duplicates Z: 30 37.753 1.973 0.722 0.939 1.000 0.793 CB 1.434 29 residues pruned to eliminate duplicates Z: 30 33.224 2.018 0.443 0.925 1.000 0.828 CA 1.487 30 residues pruned to eliminate duplicates Z: 30 18.226 1.586 0.430 0.877 1.000 0.759 CB 1.084 Z: 31 38.130 2.022 0.721 0.936 1.000 0.867 CB 1.394 31 residues pruned to eliminate duplicates Z: 37 45.901 2.016 1.167 0.935 0.972 0.528 CB 1.255 37 residues pruned to eliminate duplicates Z: 29 40.293 2.136 0.846 0.923 1.000 0.750 CA 1.358 29 residues pruned to eliminate duplicates Z: 25 37.810 2.054 0.756 0.909 1.000 0.875 CA 1.519 25 residues pruned to eliminate duplicates Z: 28 30.851 1.784 0.684 0.920 1.000 0.926 CA 1.392 28 residues pruned to eliminate duplicates Z: 30 38.604 2.082 0.935 0.947 1.000 0.724 CB 1.229 33 residues pruned to eliminate duplicates Z: 36 44.698 2.064 0.853 0.942 0.971 0.686 CB 1.410 36 residues pruned to eliminate duplicates Z: 17 27.948 2.082 1.071 0.938 0.938 0.688 CB 1.202 17 residues pruned to eliminate duplicates Z: 26 23.676 1.763 0.585 0.857 1.000 0.800 CB 1.249 26 residues pruned to eliminate duplicates Z: 36 38.358 2.067 0.547 0.941 0.971 0.886 CA 1.449 37 residues pruned to eliminate duplicates Z: 26 38.290 2.047 0.967 0.936 0.960 0.680 CB 1.379 26 residues pruned to eliminate duplicates Z: 20 29.378 1.816 0.899 0.879 1.000 0.789 CA 1.417 Z: 28 33.075 1.997 0.629 0.882 0.926 0.704 CA 1.529 28 residues pruned to eliminate duplicates Z: 36 40.871 2.062 0.753 0.949 0.943 0.829 CA 1.399 36 residues pruned to eliminate duplicates Z: 32 24.939 1.727 0.593 0.798 1.000 0.742 CB 1.254 32 residues pruned to eliminate duplicates Z: 31 38.872 2.029 0.627 0.941 1.000 0.867 CB 1.493 31 residues pruned to eliminate duplicates Z: 29 43.624 2.148 0.853 0.944 1.000 0.964 CA 1.434 29 residues pruned to eliminate duplicates Z: 30 45.959 2.085 0.960 0.913 1.000 0.862 CA 1.478 30 residues pruned to eliminate duplicates Z: 30 44.254 2.089 0.918 0.931 1.000 0.793 CA 1.434 30 residues pruned to eliminate duplicates Z: 20 19.752 1.840 0.347 0.882 0.947 0.737 CB 1.397 20 residues pruned to eliminate duplicates Z: 30 37.232 2.060 0.572 0.933 1.000 0.793 CB 1.490 30 residues pruned to eliminate duplicates Z: 37 25.946 1.952 0.200 0.941 1.000 0.861 CA 1.281 36 residues pruned to eliminate duplicates Z: 30 41.418 2.030 0.925 0.941 0.931 0.759 CB 1.467 30 residues pruned to eliminate duplicates Z: 18 23.557 2.044 0.556 0.919 0.941 0.824 CA 1.345 18 residues pruned to eliminate duplicates Z: 30 28.553 1.833 0.613 0.891 1.000 0.793 CB 1.289 30 residues pruned to eliminate duplicates Z: 21 32.038 2.043 0.799 0.917 1.000 0.700 CB 1.375 21 residues pruned to eliminate duplicates Z: 29 39.180 2.149 0.722 0.921 1.000 0.893 CA 1.407 30 residues pruned to eliminate duplicates Z: 30 39.678 2.061 0.898 0.956 1.000 0.586 CB 1.294 30 residues pruned to eliminate duplicates Z: 38 47.295 1.984 0.955 0.902 1.000 0.595 CA 1.430 38 residues pruned to eliminate duplicates Z: 19 24.518 1.943 0.736 0.862 0.944 0.778 CA 1.332 20 residues pruned to eliminate duplicates Z: 29 35.747 1.917 0.918 0.903 1.000 0.750 CB 1.310 28 residues pruned to eliminate duplicates Z: 38 47.365 1.997 0.906 0.920 1.000 0.730 CA 1.440 38 residues pruned to eliminate duplicates Z: 29 37.276 1.987 0.836 0.899 0.964 0.786 CA 1.432 28 residues pruned to eliminate duplicates Z: 13 2.346 1.456 0.006 0.186 0.750 0.333 CB 0.898 13 residues pruned to eliminate duplicates Z: 38 38.086 1.992 0.659 0.912 1.000 0.865 CA 1.342 38 residues pruned to eliminate duplicates Z: 30 45.613 2.086 0.996 0.929 1.000 0.793 CA 1.424 30 residues pruned to eliminate duplicates Z: 23 27.703 1.977 0.696 0.902 0.955 0.773 CA 1.316 23 residues pruned to eliminate duplicates Z: 30 33.743 2.014 0.372 0.916 1.000 0.897 CA 1.601 30 residues pruned to eliminate duplicates Z: 31 35.814 2.031 0.595 0.911 0.967 0.833 CB 1.480 31 residues pruned to eliminate duplicates Z: 37 49.840 1.997 1.010 0.919 0.972 0.722 CA 1.501 37 residues pruned to eliminate duplicates Z: 27 28.374 1.952 0.850 0.877 0.846 0.577 CB 1.323 27 residues pruned to eliminate duplicates Z: 39 37.525 1.932 0.702 0.908 0.974 0.816 CA 1.351 39 residues pruned to eliminate duplicates Z: 36 42.369 2.074 0.719 0.937 0.971 0.829 CA 1.439 36 residues pruned to eliminate duplicates Z: 30 42.894 2.070 0.748 0.943 1.000 0.862 CB 1.525 30 residues pruned to eliminate duplicates Z: 26 39.546 2.000 0.907 0.921 0.960 0.680 CA 1.520 26 residues pruned to eliminate duplicates Z: 28 53.515 2.190 1.156 0.955 1.000 0.741 CA 1.498 28 residues pruned to eliminate duplicates Z: 26 39.121 2.143 0.940 0.938 0.920 0.680 CB 1.423 26 residues pruned to eliminate duplicates Z: 30 43.495 2.071 0.883 0.924 1.000 0.793 CB 1.455 30 residues pruned to eliminate duplicates Z: 24 24.565 1.807 0.708 0.930 0.913 0.870 CA 1.271 Z: 28 51.331 2.176 1.107 0.950 1.000 0.741 CA 1.486 28 residues pruned to eliminate duplicates Z: 25 22.421 1.803 0.476 0.921 0.958 0.958 CA 1.263 25 residues pruned to eliminate duplicates Z: 15 8.066 1.778 0.264 0.411 0.786 0.571 CB 1.341 15 residues pruned to eliminate duplicates Z: 27 22.327 2.078 0.139 0.951 1.000 0.962 CB 1.275 27 residues pruned to eliminate duplicates Z: 19 22.143 1.851 0.463 0.920 1.000 0.833 CA 1.356 18 residues pruned to eliminate duplicates Z: 39 51.220 1.952 1.023 0.927 1.000 0.816 CA 1.475 39 residues pruned to eliminate duplicates Z: 10 9.149 1.570 0.871 0.899 1.000 0.889 CB 0.742 Z: 27 32.241 1.983 0.863 0.880 0.962 0.654 CB 1.290 27 residues pruned to eliminate duplicates Z: 29 25.684 1.829 0.452 0.877 0.964 0.821 CB 1.376 29 residues pruned to eliminate duplicates Z: 39 31.924 1.940 0.480 0.919 1.000 0.921 CA 1.271 39 residues pruned to eliminate duplicates Z: 26 23.248 1.739 0.613 0.921 0.960 0.840 CA 1.215 24 residues pruned to eliminate duplicates Z: 29 26.771 1.751 1.015 0.850 0.857 0.393 CB 1.239 34 residues pruned to eliminate duplicates Z: 25 31.239 1.925 0.726 0.873 1.000 0.833 CA 1.398 25 residues pruned to eliminate duplicates Z: 56 33.982 1.977 0.366 0.841 0.964 0.818 CB 1.313 57 residues pruned to eliminate duplicates Z: 29 47.813 2.142 1.115 0.924 0.964 0.607 CB 1.453 29 residues pruned to eliminate duplicates Z: 27 27.759 1.974 0.575 0.872 0.962 0.808 CA 1.327 27 residues pruned to eliminate duplicates Z: 23 25.048 2.136 0.250 0.944 1.000 0.864 CB 1.385 23 residues pruned to eliminate duplicates Z: 27 38.525 2.004 0.763 0.919 1.000 0.769 CA 1.508 27 residues pruned to eliminate duplicates Z: 37 39.292 1.985 0.693 0.875 1.000 0.639 CA 1.417 37 residues pruned to eliminate duplicates Z: 29 43.200 2.070 0.894 0.939 1.000 0.643 CB 1.447 29 residues pruned to eliminate duplicates Z: 38 53.545 1.974 1.075 0.927 1.000 0.730 CA 1.506 37 residues pruned to eliminate duplicates Z: 37 40.243 1.913 0.979 0.876 0.889 0.583 CB 1.449 37 residues pruned to eliminate duplicates Z: 24 33.602 2.052 0.783 0.867 0.913 0.652 CB 1.534 24 residues pruned to eliminate duplicates Z: 38 47.248 1.984 0.964 0.922 0.973 0.757 CA 1.441 38 residues pruned to eliminate duplicates Z: 29 26.492 2.071 0.227 0.928 1.000 0.929 CB 1.380 29 residues pruned to eliminate duplicates Z: 17 16.653 1.816 0.359 0.889 0.875 0.812 CA 1.388 17 residues pruned to eliminate duplicates Z: 28 32.979 2.077 0.889 0.929 1.000 0.444 CB 1.132 28 residues pruned to eliminate duplicates Z: 23 23.938 1.814 0.677 0.929 0.955 0.773 CA 1.231 23 residues pruned to eliminate duplicates Z: 37 39.239 2.010 0.886 0.935 0.917 0.583 CB 1.311 37 residues pruned to eliminate duplicates Z: 36 30.995 1.804 0.589 0.936 0.971 0.771 CB 1.310 36 residues pruned to eliminate duplicates Z: 30 51.099 2.097 1.140 0.942 1.000 0.862 CB 1.466 30 residues pruned to eliminate duplicates Z: 26 36.610 2.000 0.802 0.941 1.000 0.840 CA 1.410 26 residues pruned to eliminate duplicates Z: 21 28.279 2.030 0.747 0.841 0.950 0.750 CA 1.399 21 residues pruned to eliminate duplicates Z: 26 25.711 1.803 0.917 0.926 0.960 0.520 CB 1.087 26 residues pruned to eliminate duplicates Z: 29 38.759 2.125 0.716 0.917 1.000 0.964 CA 1.417 29 residues pruned to eliminate duplicates Z: 31 40.686 2.028 0.768 0.917 1.000 0.800 CB 1.462 30 residues pruned to eliminate duplicates Z: 30 36.719 2.013 0.654 0.925 0.966 0.828 CB 1.488 30 residues pruned to eliminate duplicates Z: 20 28.116 1.933 0.934 0.848 1.000 0.789 CA 1.280 20 residues pruned to eliminate duplicates Z: 18 33.491 1.918 0.939 0.959 1.000 0.824 CB 1.497 19 residues pruned to eliminate duplicates Z: 22 17.380 1.723 0.519 0.882 0.905 0.714 CB 1.158 22 residues pruned to eliminate duplicates Z: 21 32.162 1.979 0.878 0.881 1.000 0.700 CA 1.401 21 residues pruned to eliminate duplicates Z: 30 32.309 1.990 0.360 0.946 1.000 0.931 CB 1.532 30 residues pruned to eliminate duplicates Z: 29 31.835 1.947 0.773 0.886 0.929 0.750 CA 1.354 29 residues pruned to eliminate duplicates Z: 30 32.130 1.941 0.494 0.895 1.000 0.828 CA 1.474 30 residues pruned to eliminate duplicates Z: 12 19.022 1.842 0.783 0.920 1.000 0.909 CB 1.230 12 residues pruned to eliminate duplicates Z: 24 24.913 1.805 0.769 0.933 1.000 0.478 CB 1.135 24 residues pruned to eliminate duplicates Z: 18 28.646 1.893 0.840 0.928 1.000 0.529 CB 1.397 18 residues pruned to eliminate duplicates Z: 36 41.146 2.027 0.854 0.921 0.971 0.571 CB 1.342 36 residues pruned to eliminate duplicates Z: 19 28.497 1.818 0.950 0.893 0.944 0.500 N 1.440 19 residues pruned to eliminate duplicates Z: 40 37.160 1.938 0.630 0.925 1.000 0.897 CA 1.321 40 residues pruned to eliminate duplicates Z: 31 22.188 1.573 0.454 0.894 1.000 0.800 CB 1.270 30 residues pruned to eliminate duplicates Z: 38 49.375 1.959 0.990 0.933 0.973 0.514 CB 1.493 38 residues pruned to eliminate duplicates Z: 19 24.515 1.838 0.536 0.926 1.000 0.833 CA 1.435 18 residues pruned to eliminate duplicates Z: 36 31.107 1.830 0.908 0.930 0.971 0.400 CB 1.084 36 residues pruned to eliminate duplicates Z: 34 24.947 1.980 0.160 0.948 1.000 0.970 CB 1.306 30 residues pruned to eliminate duplicates Z: 38 43.237 1.989 0.858 0.900 0.973 0.784 CA 1.413 38 residues pruned to eliminate duplicates Z: 20 17.753 1.715 0.507 0.915 0.947 0.737 CB 1.175 20 residues pruned to eliminate duplicates Z: 19 26.209 1.873 0.657 0.901 1.000 0.778 CB 1.420 19 residues pruned to eliminate duplicates Z: 13 22.132 1.884 0.555 0.942 1.000 1.000 CA 1.513 13 residues pruned to eliminate duplicates Z: 38 29.311 1.764 0.697 0.915 0.946 0.811 CB 1.203 38 residues pruned to eliminate duplicates Z: 27 23.792 1.822 0.635 0.780 0.923 0.731 CA 1.326 27 residues pruned to eliminate duplicates Z: 29 33.074 2.094 0.693 0.952 0.964 0.750 CB 1.259 29 residues pruned to eliminate duplicates Z: 29 29.002 2.093 0.503 0.946 0.964 0.893 CB 1.250 29 residues pruned to eliminate duplicates Z: 24 25.128 1.767 0.800 0.881 0.913 0.696 CA 1.306 24 residues pruned to eliminate duplicates Z: 21 30.524 1.867 0.966 0.909 1.000 0.850 CB 1.320 20 residues pruned to eliminate duplicates Z: 38 36.879 1.988 0.576 0.900 0.973 0.919 CA 1.421 38 residues pruned to eliminate duplicates Z: 18 17.694 1.570 0.684 0.897 0.941 0.412 CB 1.235 Z: 22 30.688 1.787 1.009 0.877 1.000 0.762 CA 1.354 21 residues pruned to eliminate duplicates Z: 28 36.830 2.181 0.663 0.936 1.000 0.963 CA 1.361 28 residues pruned to eliminate duplicates Z: 18 28.045 1.910 0.637 0.944 1.000 0.824 CA 1.507 18 residues pruned to eliminate duplicates Z: 11 13.442 1.799 0.666 0.863 0.900 0.500 CB 1.157 11 residues pruned to eliminate duplicates Z: 33 31.764 1.996 0.677 0.947 1.000 0.875 CB 1.159 33 residues pruned to eliminate duplicates Z: 36 30.805 1.907 0.497 0.903 0.971 0.886 CA 1.339 36 residues pruned to eliminate duplicates Z: 39 43.606 1.947 0.806 0.916 1.000 0.895 CA 1.421 39 residues pruned to eliminate duplicates Z: 32 22.126 1.738 0.510 0.820 0.935 0.710 CB 1.226 32 residues pruned to eliminate duplicates Z: 27 36.219 2.124 0.663 0.940 0.962 0.808 CB 1.452 27 residues pruned to eliminate duplicates Z: 26 27.871 2.013 0.450 0.905 1.000 0.840 CA 1.359 26 residues pruned to eliminate duplicates Z: 7 5.974 1.528 0.497 0.724 1.000 0.500 CA 0.871 7 residues pruned to eliminate duplicates Z: 32 32.131 2.032 0.664 0.945 1.000 0.806 CB 1.181 32 residues pruned to eliminate duplicates Z: 18 31.526 1.897 0.988 0.942 1.000 0.706 CB 1.405 18 residues pruned to eliminate duplicates Z: 53 33.244 1.940 0.346 0.831 0.942 0.808 CB 1.407 53 residues pruned to eliminate duplicates Z: 16 18.674 1.785 0.765 0.938 1.000 0.733 CB 1.064 16 residues pruned to eliminate duplicates Z: 28 18.893 1.614 0.367 0.880 1.000 0.852 CB 1.194 28 residues pruned to eliminate duplicates Z: 10 12.550 1.689 0.659 0.893 0.889 0.889 CB 1.205 Z: 19 16.208 1.478 0.727 0.875 0.944 0.333 CB 1.152 18 residues pruned to eliminate duplicates Z: 23 27.634 1.744 0.897 0.881 0.955 0.636 CB 1.351 24 residues pruned to eliminate duplicates Z: 38 49.195 1.998 0.922 0.916 1.000 0.676 CA 1.488 38 residues pruned to eliminate duplicates Z: 8 10.252 1.794 0.892 0.561 0.857 0.571 CB 1.255 8 residues pruned to eliminate duplicates Z: 18 21.503 1.776 0.841 0.910 0.882 0.588 CB 1.282 18 residues pruned to eliminate duplicates Z: 38 31.154 1.785 0.635 0.931 0.973 0.865 CB 1.261 38 residues pruned to eliminate duplicates Z: 19 25.612 1.776 0.764 0.927 1.000 0.833 CB 1.351 19 residues pruned to eliminate duplicates Z: 18 31.966 2.051 0.892 0.921 1.000 0.588 CB 1.406 18 residues pruned to eliminate duplicates Z: 14 25.078 1.938 1.263 0.875 0.923 0.692 CB 1.250 14 residues pruned to eliminate duplicates Z: 19 25.880 1.889 0.768 0.937 0.944 0.833 CB 1.346 19 residues pruned to eliminate duplicates Z: 16 20.364 1.725 0.734 0.923 0.933 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 38 41.265 2.012 0.681 0.926 1.000 0.946 CA 1.406 38 residues pruned to eliminate duplicates Z: 14 11.995 1.844 -0.056 0.875 0.923 0.923 CB 1.506 14 residues pruned to eliminate duplicates Z: 22 25.467 1.843 0.675 0.892 1.000 0.810 CB 1.293 22 residues pruned to eliminate duplicates Z: 9 10.699 1.718 0.302 0.847 1.000 0.875 CA 1.255 9 residues pruned to eliminate duplicates Z: 28 27.573 2.014 0.511 0.921 0.963 0.852 CA 1.274 28 residues pruned to eliminate duplicates Z: 25 31.255 1.797 0.759 0.949 1.000 0.958 CB 1.393 25 residues pruned to eliminate duplicates Z: 18 22.874 1.903 0.702 0.866 0.882 0.765 CB 1.421 18 residues pruned to eliminate duplicates Z: 7 3.578 1.686 0.078 0.475 0.667 0.667 CB 1.236 Z: 26 21.308 1.739 0.435 0.917 1.000 0.840 CA 1.205 26 residues pruned to eliminate duplicates Z: 14 13.730 1.753 0.533 0.920 0.923 0.615 CB 1.081 14 residues pruned to eliminate duplicates Z: 29 25.467 1.783 0.579 0.880 1.000 0.964 CB 1.239 29 residues pruned to eliminate duplicates Z: 26 26.198 1.777 0.657 0.919 1.000 0.840 CA 1.254 27 residues pruned to eliminate duplicates Z: 30 38.053 2.056 0.542 0.943 1.000 0.931 CB 1.544 31 residues pruned to eliminate duplicates Z: 21 18.579 1.776 0.569 0.918 0.950 0.950 CB 1.107 21 residues pruned to eliminate duplicates Z: 29 27.446 1.811 0.634 0.891 1.000 0.607 CB 1.260 29 residues pruned to eliminate duplicates Z: 20 23.712 1.730 0.812 0.843 0.947 0.842 CA 1.364 20 residues pruned to eliminate duplicates Z: 28 21.629 1.759 0.516 0.905 0.889 0.593 CB 1.249 28 residues pruned to eliminate duplicates Z: 36 33.449 1.855 0.702 0.934 0.943 0.714 CB 1.325 36 residues pruned to eliminate duplicates Z: 27 33.663 1.975 0.723 0.872 0.962 0.846 CA 1.471 27 residues pruned to eliminate duplicates Z: 28 18.040 1.591 0.404 0.851 0.926 0.778 CB 1.242 28 residues pruned to eliminate duplicates Z: 30 36.940 2.048 0.610 0.917 1.000 0.828 CB 1.468 30 residues pruned to eliminate duplicates Z: 29 39.859 2.092 0.632 0.943 1.000 0.929 CB 1.530 29 residues pruned to eliminate duplicates Z: 38 40.295 1.995 0.695 0.907 1.000 0.865 CA 1.392 38 residues pruned to eliminate duplicates Z: 19 27.870 1.935 0.828 0.922 0.944 0.833 CB 1.383 19 residues pruned to eliminate duplicates Z: 29 22.041 1.603 0.620 0.900 1.000 0.821 CB 1.145 31 residues pruned to eliminate duplicates Z: 7 5.979 1.670 0.344 0.429 1.000 0.333 CB 1.170 Z: 18 24.394 1.937 0.748 0.801 0.941 0.706 CA 1.427 18 residues pruned to eliminate duplicates Z: 28 30.973 1.841 0.828 0.899 0.926 0.593 CB 1.367 28 residues pruned to eliminate duplicates Z: 30 32.099 2.069 0.734 0.947 1.000 0.724 CB 1.148 30 residues pruned to eliminate duplicates Z: 20 28.094 1.797 1.023 0.926 1.000 0.421 CB 1.243 20 residues pruned to eliminate duplicates Z: 32 34.542 1.961 0.500 0.925 1.000 0.903 CB 1.480 32 residues pruned to eliminate duplicates Z: 24 25.884 1.783 0.747 0.925 0.957 0.783 CA 1.271 24 residues pruned to eliminate duplicates Z: 29 32.901 2.047 0.681 0.960 1.000 0.714 CB 1.237 29 residues pruned to eliminate duplicates Z: 29 46.678 2.085 1.039 0.936 0.964 0.714 CB 1.498 29 residues pruned to eliminate duplicates Z: 20 32.524 2.050 1.107 0.944 1.000 0.684 CB 1.196 20 residues pruned to eliminate duplicates Z: 38 37.596 1.987 0.610 0.926 1.000 0.892 CA 1.355 38 residues pruned to eliminate duplicates Z: 29 25.616 1.819 0.507 0.868 1.000 0.714 CB 1.291 29 residues pruned to eliminate duplicates Z: 37 42.955 2.012 1.031 0.921 0.944 0.639 CB 1.306 37 residues pruned to eliminate duplicates Z: 38 35.326 1.981 0.635 0.922 0.946 0.838 CA 1.333 38 residues pruned to eliminate duplicates Z: 8 8.739 1.749 0.431 0.623 0.857 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 35 45.947 1.901 1.091 0.947 0.971 0.588 CB 1.411 35 residues pruned to eliminate duplicates Z: 28 27.272 1.930 0.609 0.889 0.889 0.704 CB 1.369 28 residues pruned to eliminate duplicates Z: 14 17.379 1.766 0.767 0.933 0.846 0.615 CB 1.274 14 residues pruned to eliminate duplicates Z: 37 28.841 1.739 0.857 0.923 0.889 0.333 CB 1.177 37 residues pruned to eliminate duplicates Z: 29 30.141 1.912 0.669 0.877 0.964 0.750 CA 1.343 29 residues pruned to eliminate duplicates Z: 21 20.312 1.772 0.553 0.934 1.000 0.850 CB 1.150 21 residues pruned to eliminate duplicates Z: 19 21.723 1.545 0.863 0.886 0.944 0.611 CB 1.359 14 residues pruned to eliminate duplicates Z: 12 13.810 1.998 0.556 0.849 0.818 0.636 CB 1.213 12 residues pruned to eliminate duplicates Z: 25 16.852 1.688 0.590 0.607 0.917 0.625 CB 1.262 25 residues pruned to eliminate duplicates Z: 10 10.038 1.585 0.614 0.787 0.778 0.556 CB 1.307 10 residues pruned to eliminate duplicates Z: 9 8.507 1.887 0.585 0.491 0.875 0.500 CB 1.160 4 residues pruned to eliminate duplicates Z: 13 15.841 1.729 0.839 0.847 1.000 0.583 CB 1.067 12 residues pruned to eliminate duplicates Z: 27 33.580 1.794 0.817 0.948 1.000 0.923 CA 1.395 28 residues pruned to eliminate duplicates Z: 37 37.326 1.989 0.678 0.916 1.000 0.944 CA 1.317 37 residues pruned to eliminate duplicates Z: 27 35.267 1.985 0.811 0.900 0.962 0.654 CB 1.430 27 residues pruned to eliminate duplicates Z: 37 40.737 2.016 0.776 0.928 0.944 0.722 CB 1.406 37 residues pruned to eliminate duplicates Z: 30 19.004 1.585 0.301 0.878 1.000 0.862 CB 1.242 30 residues pruned to eliminate duplicates Z: 20 20.825 1.757 0.542 0.895 1.000 0.842 CA 1.264 20 residues pruned to eliminate duplicates Z: 14 14.109 1.795 0.220 0.924 1.000 1.000 CA 1.255 14 residues pruned to eliminate duplicates Z: 7 2.949 1.404 0.737 0.599 0.833 0.500 CB 0.539 Z: 29 54.973 2.156 1.184 0.951 1.000 0.679 CA 1.520 29 residues pruned to eliminate duplicates Z: 27 22.545 1.683 0.652 0.911 0.962 0.654 CB 1.172 27 residues pruned to eliminate duplicates Z: 22 23.071 1.759 0.717 0.905 0.952 0.952 CA 1.246 22 residues pruned to eliminate duplicates 6 1.730 1.496 -0.377 0.686 1.000 0.600 CB 0.700 ? Z: 16 16.501 1.764 0.677 0.873 0.867 0.467 CB 1.211 16 residues pruned to eliminate duplicates Z: 13 10.667 1.489 0.514 0.867 1.000 0.750 CB 0.999 Z: 25 22.113 1.799 0.490 0.943 0.958 0.958 CA 1.218 25 residues pruned to eliminate duplicates Z: 20 12.732 1.579 0.395 0.765 0.895 0.684 CB 1.171 20 residues pruned to eliminate duplicates Z: 23 28.219 1.843 0.809 0.918 0.955 0.682 CB 1.333 23 residues pruned to eliminate duplicates Z: 37 34.112 2.017 0.471 0.935 1.000 0.917 CA 1.335 37 residues pruned to eliminate duplicates Z: 23 15.970 1.500 0.586 0.857 0.818 0.727 O 1.290 23 residues pruned to eliminate duplicates Z: 14 14.320 1.412 0.710 0.880 1.000 0.692 CB 1.192 Z: 26 26.643 1.973 0.444 0.926 1.000 0.880 CA 1.312 26 residues pruned to eliminate duplicates Z: 25 18.328 1.758 0.293 0.951 1.000 0.917 CA 1.135 24 residues pruned to eliminate duplicates Z: 28 21.638 1.790 0.352 0.860 1.000 0.704 CB 1.266 28 residues pruned to eliminate duplicates Z: 14 10.182 1.484 0.654 0.868 0.923 0.692 CB 0.912 10 residues pruned to eliminate duplicates Z: 19 25.788 2.005 1.058 0.914 0.944 0.500 CB 1.103 19 residues pruned to eliminate duplicates Z: 25 22.118 1.971 0.309 0.949 1.000 0.875 CB 1.208 25 residues pruned to eliminate duplicates Z: 9 10.305 1.419 0.755 0.894 1.000 0.750 CB 1.049 9 residues pruned to eliminate duplicates Z: 25 25.381 1.768 0.766 0.894 0.958 0.750 CA 1.242 25 residues pruned to eliminate duplicates Z: 37 28.174 1.742 0.522 0.895 0.944 0.694 CB 1.345 37 residues pruned to eliminate duplicates Z: 27 37.927 1.975 0.829 0.913 0.962 0.731 CA 1.516 27 residues pruned to eliminate duplicates Z: 29 43.917 2.072 0.981 0.950 0.964 0.679 CB 1.446 29 residues pruned to eliminate duplicates Z: 28 25.495 1.847 0.904 0.712 0.889 0.556 CB 1.295 28 residues pruned to eliminate duplicates Z: 12 10.166 1.736 0.564 0.554 0.818 0.727 CB 1.309 12 residues pruned to eliminate duplicates Z: 21 30.127 2.005 0.707 0.920 1.000 0.800 CB 1.386 21 residues pruned to eliminate duplicates Z: 23 23.454 1.806 0.935 0.873 0.909 0.636 CB 1.146 23 residues pruned to eliminate duplicates Z: 27 36.325 1.962 0.747 0.911 1.000 0.538 CA 1.473 27 residues pruned to eliminate duplicates Z: 27 21.018 1.755 0.422 0.881 1.000 0.808 CA 1.196 27 residues pruned to eliminate duplicates Z: 27 29.696 1.789 0.643 0.944 1.000 0.962 CB 1.373 27 residues pruned to eliminate duplicates Z: 25 28.568 1.802 0.730 0.911 0.958 0.792 CB 1.383 25 residues pruned to eliminate duplicates Z: 30 19.626 1.563 0.445 0.886 1.000 0.724 CB 1.165 30 residues pruned to eliminate duplicates Z: 24 28.699 2.149 0.420 0.932 1.000 0.913 CB 1.369 24 residues pruned to eliminate duplicates Z: 24 15.856 1.669 0.344 0.865 0.957 0.826 CB 1.129 24 residues pruned to eliminate duplicates Z: 19 24.372 1.830 0.572 0.887 1.000 0.889 CB 1.439 20 residues pruned to eliminate duplicates Z: 38 42.134 2.005 0.720 0.931 1.000 0.811 CA 1.404 38 residues pruned to eliminate duplicates Z: 10 14.134 1.799 0.443 0.902 1.000 1.000 CB 1.295 10 residues pruned to eliminate duplicates Z: 39 37.120 1.949 0.598 0.931 1.000 0.895 CA 1.351 39 residues pruned to eliminate duplicates Z: 30 18.168 1.590 0.332 0.889 1.000 0.862 CB 1.147 30 residues pruned to eliminate duplicates Z: 37 30.025 1.759 0.696 0.899 1.000 0.861 CB 1.199 30 residues pruned to eliminate duplicates Z: 22 24.788 2.014 0.701 0.822 0.952 0.810 CA 1.254 21 residues pruned to eliminate duplicates Z: 19 22.299 1.811 0.764 0.876 0.944 0.722 CB 1.266 19 residues pruned to eliminate duplicates Z: 13 12.180 1.360 0.695 0.895 1.000 0.833 CB 1.093 13 residues pruned to eliminate duplicates Z: 38 48.713 1.994 0.905 0.915 1.000 0.703 CA 1.490 38 residues pruned to eliminate duplicates Z: 17 15.631 2.083 0.287 0.615 0.812 0.688 CB 1.609 17 residues pruned to eliminate duplicates Z: 9 2.312 1.477 0.477 0.221 0.625 0.375 CB 0.832 Z: 26 27.386 1.826 0.589 0.892 1.000 0.760 CA 1.356 26 residues pruned to eliminate duplicates Z: 50 33.488 1.905 0.672 0.683 0.898 0.653 CB 1.414 52 residues pruned to eliminate duplicates Z: 18 19.204 1.627 0.626 0.911 0.941 0.882 CB 1.326 18 residues pruned to eliminate duplicates Z: 23 16.708 1.512 0.752 0.862 0.818 0.591 CB 1.207 23 residues pruned to eliminate duplicates Z: 18 15.219 1.809 0.790 0.561 0.882 0.647 CB 1.218 18 residues pruned to eliminate duplicates Z: 28 28.741 1.791 0.607 0.906 1.000 0.926 CB 1.367 27 residues pruned to eliminate duplicates Z: 18 25.546 1.838 0.879 0.875 0.882 0.706 CB 1.479 18 residues pruned to eliminate duplicates Z: 16 24.015 1.921 0.733 0.911 1.000 0.933 CB 1.320 16 residues pruned to eliminate duplicates Z: 12 3.720 1.498 0.354 0.566 0.727 0.545 CB 0.713 12 residues pruned to eliminate duplicates Z: 9 18.102 2.009 1.046 0.794 1.000 0.875 CB 1.203 9 residues pruned to eliminate duplicates Z: 29 49.790 2.055 1.207 0.951 0.964 0.536 CB 1.484 29 residues pruned to eliminate duplicates Z: 29 41.512 2.052 0.890 0.924 1.000 0.607 CB 1.420 29 residues pruned to eliminate duplicates Z: 37 46.878 2.011 1.088 0.942 0.972 0.528 CB 1.327 37 residues pruned to eliminate duplicates Z: 36 27.390 1.760 0.532 0.907 0.971 0.800 CB 1.256 36 residues pruned to eliminate duplicates Z: 26 29.596 1.967 0.503 0.900 0.960 0.760 CB 1.490 26 residues pruned to eliminate duplicates Z: 21 21.285 2.104 0.270 0.910 1.000 0.850 CA 1.263 21 residues pruned to eliminate duplicates Z: 17 15.976 1.639 0.381 0.836 1.000 0.688 O 1.320 17 residues pruned to eliminate duplicates Z: 24 26.921 2.102 0.849 0.922 0.913 0.522 CB 1.113 24 residues pruned to eliminate duplicates Z: 10 9.928 1.513 0.332 0.851 1.000 0.889 CB 1.216 10 residues pruned to eliminate duplicates Z: 21 19.132 1.721 0.758 0.867 0.950 0.650 CB 1.088 21 residues pruned to eliminate duplicates Z: 22 28.075 1.783 0.901 0.867 1.000 0.810 CA 1.322 22 residues pruned to eliminate duplicates Z: 14 11.710 1.883 0.415 0.789 0.846 0.769 CA 1.118 15 residues pruned to eliminate duplicates Z: 17 17.207 1.837 0.368 0.904 0.938 0.750 CB 1.300 17 residues pruned to eliminate duplicates Z: 25 20.005 1.906 0.431 0.696 0.958 0.750 CB 1.306 21 residues pruned to eliminate duplicates Z: 22 24.975 2.075 0.574 0.862 0.952 0.667 CA 1.287 22 residues pruned to eliminate duplicates Z: 26 24.926 1.803 0.549 0.865 1.000 0.800 CB 1.307 26 residues pruned to eliminate duplicates Z: 31 47.247 1.963 1.131 0.965 1.000 0.600 CB 1.408 31 residues pruned to eliminate duplicates Z: 30 21.962 1.788 0.490 0.869 0.931 0.621 CB 1.201 30 residues pruned to eliminate duplicates Z: 12 9.426 1.601 0.527 0.653 0.909 0.818 CA 1.109 12 residues pruned to eliminate duplicates Z: 6 2.182 1.390 0.362 0.378 0.600 0.400 CB 0.979 Z: 9 2.769 1.418 0.100 0.417 0.750 0.625 CB 0.913 Z: 23 29.750 1.869 0.789 0.915 1.000 0.864 CA 1.341 23 residues pruned to eliminate duplicates Z: 30 42.615 2.051 0.905 0.901 0.966 0.690 CB 1.497 30 residues pruned to eliminate duplicates Z: 56 55.008 2.028 0.882 0.821 0.964 0.618 CB 1.526 60 residues pruned to eliminate duplicates Z: 37 42.328 2.032 0.674 0.957 1.000 0.861 CA 1.424 37 residues pruned to eliminate duplicates Z: 24 32.047 1.826 0.852 0.926 1.000 0.870 CA 1.386 24 residues pruned to eliminate duplicates Z: 12 13.198 1.432 0.855 0.881 0.909 0.818 CA 1.193 12 residues pruned to eliminate duplicates Z: 31 21.808 1.582 0.410 0.908 1.000 0.967 CB 1.267 38 residues pruned to eliminate duplicates Z: 6 2.993 1.517 0.289 0.427 0.800 0.800 CA 0.923 Z: 22 26.649 1.794 0.818 0.909 0.952 0.810 CA 1.329 22 residues pruned to eliminate duplicates Z: 12 6.354 1.442 0.450 0.805 0.818 0.545 CB 0.858 12 residues pruned to eliminate duplicates Z: 28 26.156 1.823 0.726 0.857 1.000 0.593 CB 1.179 28 residues pruned to eliminate duplicates Z: 22 17.967 1.689 0.218 0.884 1.000 0.857 CB 1.378 22 residues pruned to eliminate duplicates Z: 26 15.545 1.886 0.655 0.514 0.800 0.520 CB 1.228 26 residues pruned to eliminate duplicates Z: 25 30.694 1.911 0.988 0.855 0.875 0.500 CA 1.391 25 residues pruned to eliminate duplicates Z: 30 18.387 1.604 0.271 0.889 0.966 0.793 CB 1.249 30 residues pruned to eliminate duplicates Z: 29 20.231 1.800 0.290 0.865 0.964 0.786 CB 1.251 29 residues pruned to eliminate duplicates Z: 13 13.620 1.441 0.664 0.906 1.000 0.833 CA 1.166 13 residues pruned to eliminate duplicates Z: 6 2.208 1.269 0.143 0.437 0.800 0.400 CA 0.909 Z: 26 21.697 1.774 0.401 0.922 1.000 0.960 CA 1.228 26 residues pruned to eliminate duplicates Z: 6 3.226 1.346 0.324 0.699 1.000 0.600 N 0.675 Z: 8 7.207 1.910 0.761 0.752 0.714 0.571 CB 0.906 8 residues pruned to eliminate duplicates Z: 18 21.669 1.785 0.626 0.919 0.941 0.824 CA 1.356 18 residues pruned to eliminate duplicates Z: 30 40.657 2.049 0.769 0.927 1.000 0.828 CB 1.459 30 residues pruned to eliminate duplicates Z: 24 15.592 1.450 0.388 0.880 0.957 0.826 CB 1.223 24 residues pruned to eliminate duplicates Z: 18 22.616 1.821 0.679 0.882 0.882 0.706 N 1.471 18 residues pruned to eliminate duplicates Z: 25 18.349 1.766 0.259 0.945 1.000 0.875 CA 1.166 25 residues pruned to eliminate duplicates Z: 7 4.583 1.489 0.376 0.450 0.833 0.667 N 1.154 7 residues pruned to eliminate duplicates Z: 14 9.103 1.467 0.212 0.852 1.000 0.692 CB 1.051 14 residues pruned to eliminate duplicates Z: 30 25.442 1.773 0.720 0.794 1.000 0.690 CB 1.197 30 residues pruned to eliminate duplicates Z: 9 5.967 1.558 0.923 0.303 0.750 0.625 CA 1.169 Z: 6 5.447 1.512 0.549 0.435 1.000 0.600 O 1.113 6 residues pruned to eliminate duplicates Z: 21 18.755 1.917 0.491 0.747 0.900 0.900 CA 1.308 21 residues pruned to eliminate duplicates Z: 6 3.558 1.079 0.930 0.589 1.000 0.400 CB 0.702 Z: 23 34.921 2.173 0.827 0.947 0.955 0.727 CB 1.357 23 residues pruned to eliminate duplicates Z: 29 47.548 2.132 1.099 0.924 1.000 0.679 CA 1.410 29 residues pruned to eliminate duplicates Z: 7 6.203 1.739 0.312 0.396 1.000 0.667 CA 1.239 7 residues pruned to eliminate duplicates Z: 25 23.137 1.783 0.516 0.926 0.958 0.875 CA 1.279 25 residues pruned to eliminate duplicates Z: 21 20.315 1.783 0.883 0.799 0.900 0.650 CB 1.157 21 residues pruned to eliminate duplicates Z: 22 29.430 1.960 1.032 0.746 0.952 0.524 CB 1.359 22 residues pruned to eliminate duplicates Z: 25 29.698 1.782 0.833 0.945 1.000 0.750 CB 1.284 24 residues pruned to eliminate duplicates Z: 29 44.719 2.059 1.049 0.958 1.000 0.786 CB 1.373 29 residues pruned to eliminate duplicates Z: 36 30.714 1.727 0.653 0.862 1.000 0.800 CB 1.336 36 residues pruned to eliminate duplicates Z: 12 5.080 1.441 0.441 0.407 0.818 0.455 CB 0.994 12 residues pruned to eliminate duplicates Z: 25 21.849 1.807 0.537 0.912 0.958 0.958 CA 1.186 25 residues pruned to eliminate duplicates Z: 13 10.481 1.786 0.135 0.923 0.917 0.917 CA 1.144 13 residues pruned to eliminate duplicates Z: 7 2.770 1.296 0.080 0.449 0.833 0.667 CA 1.023 Z: 8 8.135 1.405 0.376 0.881 1.000 0.857 CA 1.152 8 residues pruned to eliminate duplicates Z: 30 18.936 1.595 0.393 0.848 0.966 0.793 CB 1.216 30 residues pruned to eliminate duplicates Z: 22 17.527 1.501 0.703 0.886 0.905 0.667 CB 1.193 22 residues pruned to eliminate duplicates Z: 37 41.138 1.973 0.828 0.897 1.000 0.639 CA 1.361 37 residues pruned to eliminate duplicates Z: 21 29.479 1.801 1.014 0.898 1.000 0.650 CB 1.300 21 residues pruned to eliminate duplicates Z: 9 3.796 1.207 0.947 0.310 0.750 0.375 C 0.940 Z: 10 4.912 1.616 0.161 0.448 0.778 0.222 CB 1.183 7 residues pruned to eliminate duplicates Z: 16 18.704 1.768 0.635 0.913 1.000 0.733 CB 1.182 16 residues pruned to eliminate duplicates Z: 55 45.981 1.972 0.775 0.778 0.926 0.667 CA 1.510 55 residues pruned to eliminate duplicates Z: 6 2.405 1.568 0.131 0.492 0.600 0.400 O 1.019 Z: 38 44.530 1.969 0.893 0.918 0.973 0.757 CA 1.423 38 residues pruned to eliminate duplicates Z: 15 22.070 1.991 0.631 0.867 0.929 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 24 28.043 1.769 0.884 0.931 1.000 0.826 CA 1.226 24 residues pruned to eliminate duplicates Z: 39 34.699 1.947 0.520 0.935 1.000 0.947 CA 1.325 39 residues pruned to eliminate duplicates Z: 26 30.157 1.831 0.649 0.938 1.000 0.960 CA 1.389 26 residues pruned to eliminate duplicates Z: 18 11.996 1.657 0.288 0.767 0.824 0.647 CA 1.306 18 residues pruned to eliminate duplicates Z: 7 3.314 1.511 0.391 0.409 0.667 0.500 CA 1.062 Z: 31 14.981 1.524 0.175 0.869 0.967 0.733 CB 1.154 31 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 30 17.417 1.606 0.278 0.844 0.931 0.828 CB 1.259 30 residues pruned to eliminate duplicates Z: 29 17.590 1.592 0.108 0.902 1.000 0.821 CB 1.344 29 residues pruned to eliminate duplicates Z: 6 4.771 1.344 0.269 0.818 1.000 0.800 N 0.950 6 residues pruned to eliminate duplicates Z: 11 8.367 1.420 0.252 0.789 1.000 0.800 CB 1.154 11 residues pruned to eliminate duplicates Z: 45 27.336 1.717 0.461 0.787 0.955 0.727 CB 1.337 46 residues pruned to eliminate duplicates Z: 31 18.293 1.536 0.357 0.871 0.967 0.800 CB 1.209 31 residues pruned to eliminate duplicates Z: 20 10.508 1.403 0.410 0.651 0.895 0.737 N 1.184 20 residues pruned to eliminate duplicates Z: 18 13.920 1.497 0.480 0.804 0.941 0.824 CB 1.242 17 residues pruned to eliminate duplicates Z: 28 19.467 1.605 0.312 0.870 1.000 0.815 CB 1.299 28 residues pruned to eliminate duplicates Z: 25 18.778 1.550 0.378 0.920 0.958 0.750 CB 1.318 25 residues pruned to eliminate duplicates Z: 9 9.359 1.566 0.566 0.776 0.875 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 12 12.779 1.526 0.481 0.911 1.000 0.545 CB 1.208 12 residues pruned to eliminate duplicates Z: 6 3.630 1.513 0.263 0.345 0.800 0.200 CA 1.256 6 residues pruned to eliminate duplicates Z: 40 20.318 1.770 0.349 0.700 0.897 0.795 CB 1.265 40 residues pruned to eliminate duplicates Z: 34 20.813 1.820 0.433 0.758 0.848 0.697 CB 1.302 34 residues pruned to eliminate duplicates Z: 35 22.956 1.803 0.493 0.703 0.912 0.618 CB 1.333 35 residues pruned to eliminate duplicates Z: 34 24.197 1.853 0.493 0.696 0.909 0.636 CB 1.400 34 residues pruned to eliminate duplicates Z: 39 21.955 1.814 0.353 0.744 0.895 0.684 CB 1.304 39 residues pruned to eliminate duplicates Z: 40 25.283 1.798 0.549 0.728 0.872 0.667 CB 1.358 40 residues pruned to eliminate duplicates Z: 35 24.839 1.840 0.563 0.738 0.912 0.676 CB 1.312 35 residues pruned to eliminate duplicates Z: 38 21.882 1.772 0.410 0.729 0.892 0.676 CB 1.314 38 residues pruned to eliminate duplicates Z: 35 26.367 1.844 0.404 0.792 0.971 0.735 CB 1.393 35 residues pruned to eliminate duplicates Z: 34 26.472 1.857 0.496 0.786 0.939 0.758 CB 1.373 34 residues pruned to eliminate duplicates Z: 38 24.457 1.826 0.598 0.686 0.892 0.649 CB 1.303 38 residues pruned to eliminate duplicates Z: 39 28.717 1.820 0.501 0.828 0.947 0.816 CB 1.355 39 residues pruned to eliminate duplicates Z: 35 19.168 1.717 0.502 0.674 0.824 0.647 CB 1.318 35 residues pruned to eliminate duplicates Z: 38 30.008 1.831 0.572 0.779 0.946 0.784 CB 1.416 38 residues pruned to eliminate duplicates Z: 29 22.729 1.865 0.378 0.760 0.964 0.857 CA 1.376 29 residues pruned to eliminate duplicates Z: 30 23.708 1.843 0.446 0.736 0.931 0.655 CB 1.435 30 residues pruned to eliminate duplicates Z: 30 18.121 1.835 0.318 0.651 0.897 0.621 CA 1.349 30 residues pruned to eliminate duplicates Z: 43 22.931 1.714 0.471 0.698 0.905 0.643 CB 1.294 43 residues pruned to eliminate duplicates Z: 40 24.519 1.762 0.381 0.751 0.949 0.590 CB 1.360 40 residues pruned to eliminate duplicates Z: 34 23.599 1.834 0.339 0.793 0.909 0.727 CB 1.424 34 residues pruned to eliminate duplicates Z: 36 22.134 1.733 0.589 0.639 0.886 0.629 CB 1.347 36 residues pruned to eliminate duplicates Z: 34 25.948 1.842 0.482 0.781 0.939 0.667 CB 1.374 34 residues pruned to eliminate duplicates Z: 37 24.152 1.822 0.475 0.741 0.944 0.583 CB 1.278 37 residues pruned to eliminate duplicates Z: 32 20.932 1.821 0.366 0.674 0.968 0.677 CB 1.331 32 residues pruned to eliminate duplicates Z: 31 23.586 1.905 0.481 0.772 0.900 0.767 CB 1.334 31 residues pruned to eliminate duplicates Z: 35 27.268 1.863 0.698 0.734 0.941 0.676 CB 1.273 35 residues pruned to eliminate duplicates Z: 33 23.500 1.853 0.646 0.675 0.906 0.562 CB 1.279 33 residues pruned to eliminate duplicates Z: 40 26.940 1.784 0.696 0.716 0.974 0.590 CB 1.203 40 residues pruned to eliminate duplicates Z: 25 25.598 1.844 0.588 0.927 1.000 0.667 CB 1.251 25 residues pruned to eliminate duplicates Z: 36 23.905 1.804 0.659 0.694 0.914 0.514 CB 1.237 36 residues pruned to eliminate duplicates Z: 37 22.626 1.821 0.504 0.739 0.889 0.528 CB 1.250 37 residues pruned to eliminate duplicates Z: 39 22.937 1.819 0.529 0.643 0.842 0.553 CB 1.389 39 residues pruned to eliminate duplicates Z: 20 18.685 1.767 0.407 0.880 0.947 0.842 CB 1.319 20 residues pruned to eliminate duplicates Z: 18 11.027 1.658 0.434 0.582 0.882 0.647 N 1.178 18 residues pruned to eliminate duplicates Z: 31 27.251 1.885 0.734 0.795 0.967 0.500 CB 1.216 31 residues pruned to eliminate duplicates Z: 42 24.103 1.813 0.577 0.717 0.902 0.683 CB 1.199 42 residues pruned to eliminate duplicates Z: 18 24.221 1.847 0.546 0.933 1.000 0.882 CB 1.435 18 residues pruned to eliminate duplicates Z: 19 23.835 1.810 0.622 0.886 0.944 0.889 CB 1.462 19 residues pruned to eliminate duplicates Z: 18 24.328 1.813 0.713 0.931 1.000 0.824 CB 1.327 18 residues pruned to eliminate duplicates Z: 21 21.301 1.796 0.703 0.793 0.950 0.600 CB 1.268 21 residues pruned to eliminate duplicates Z: 12 16.025 1.820 0.465 0.924 1.000 0.727 CB 1.273 12 residues pruned to eliminate duplicates Z: 12 16.138 1.836 0.438 0.916 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 12 16.677 1.805 0.543 0.893 1.000 0.545 CB 1.296 12 residues pruned to eliminate duplicates Z: 16 15.952 1.716 0.674 0.746 0.933 0.533 CB 1.233 16 residues pruned to eliminate duplicates Z: 12 14.022 1.741 0.697 0.831 0.909 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 12 12.629 1.738 0.683 0.842 0.909 0.636 CB 1.067 12 residues pruned to eliminate duplicates Z: 14 12.711 1.639 0.784 0.762 0.923 0.462 CB 1.035 14 residues pruned to eliminate duplicates Z: 12 16.773 1.813 0.716 0.899 1.000 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 12 16.137 1.838 0.411 0.892 1.000 0.636 CB 1.348 12 residues pruned to eliminate duplicates Z: 8 7.706 1.460 0.541 0.755 0.857 0.571 CA 1.203 8 residues pruned to eliminate duplicates Z: 32 25.773 1.720 0.409 0.923 1.000 0.871 CB 1.342 32 residues pruned to eliminate duplicates Z: 8 8.931 1.460 0.702 0.851 0.857 0.571 CB 1.173 8 residues pruned to eliminate duplicates Z: 11 5.304 1.432 0.566 0.470 0.700 0.300 N 1.101 11 residues pruned to eliminate duplicates Z: 30 20.935 1.696 0.362 0.813 0.931 0.655 CB 1.377 30 residues pruned to eliminate duplicates Z: 52 37.235 1.876 0.503 0.837 0.961 0.765 CB 1.440 52 residues pruned to eliminate duplicates Z: 28 25.517 1.782 0.541 0.829 1.000 0.815 CB 1.346 28 residues pruned to eliminate duplicates Z: 19 17.320 1.613 0.470 0.807 0.944 0.611 N 1.395 19 residues pruned to eliminate duplicates Z: 60 38.839 1.924 0.461 0.868 0.983 0.797 CB 1.337 60 residues pruned to eliminate duplicates Z: 33 25.281 1.809 0.431 0.911 0.938 0.688 CB 1.305 33 residues pruned to eliminate duplicates Z: 32 24.782 1.732 0.693 0.804 0.968 0.774 CB 1.203 32 residues pruned to eliminate duplicates Z: 53 38.280 1.967 0.512 0.843 1.000 0.885 CB 1.329 53 residues pruned to eliminate duplicates Z: 26 20.083 1.761 0.540 0.727 0.960 0.800 CB 1.257 26 residues pruned to eliminate duplicates Z: 21 20.311 1.850 0.556 0.705 1.000 0.700 CB 1.310 21 residues pruned to eliminate duplicates Z: 23 18.630 1.828 0.430 0.686 0.955 0.682 CB 1.342 23 residues pruned to eliminate duplicates Z: 22 17.185 1.760 0.563 0.668 0.905 0.714 CB 1.290 22 residues pruned to eliminate duplicates Z: 42 31.535 1.954 0.478 0.755 0.951 0.805 CB 1.429 42 residues pruned to eliminate duplicates Z: 51 27.704 1.944 0.434 0.734 0.880 0.680 CB 1.294 51 residues pruned to eliminate duplicates Z: 18 16.660 1.776 0.490 0.828 0.882 0.765 CB 1.304 18 residues pruned to eliminate duplicates Z: 51 36.100 1.967 0.527 0.815 0.980 0.780 CB 1.318 51 residues pruned to eliminate duplicates Z: 50 38.677 2.007 0.599 0.821 0.959 0.776 CB 1.358 50 residues pruned to eliminate duplicates Z: 43 30.923 1.952 0.432 0.819 0.952 0.738 CB 1.360 43 residues pruned to eliminate duplicates Z: 56 33.285 1.934 0.467 0.769 0.964 0.673 CB 1.294 56 residues pruned to eliminate duplicates Z: 23 19.818 1.805 0.528 0.762 1.000 0.545 CB 1.214 23 residues pruned to eliminate duplicates Z: 51 35.165 1.976 0.430 0.810 0.980 0.780 CB 1.371 51 residues pruned to eliminate duplicates Z: 22 18.419 1.846 0.572 0.767 0.857 0.667 CB 1.275 22 residues pruned to eliminate duplicates Z: 49 36.682 2.012 0.446 0.824 1.000 0.771 CB 1.374 49 residues pruned to eliminate duplicates Z: 48 37.014 2.035 0.464 0.820 1.000 0.745 CB 1.373 48 residues pruned to eliminate duplicates Z: 50 40.528 1.991 0.612 0.832 1.000 0.796 CB 1.355 50 residues pruned to eliminate duplicates Z: 50 38.255 2.002 0.557 0.838 0.980 0.714 CB 1.339 50 residues pruned to eliminate duplicates Z: 51 32.774 1.984 0.397 0.802 0.980 0.780 CB 1.310 51 residues pruned to eliminate duplicates Z: 51 33.284 1.971 0.503 0.806 0.940 0.640 CB 1.294 51 residues pruned to eliminate duplicates Z: 53 37.067 2.004 0.408 0.854 1.000 0.846 CB 1.345 53 residues pruned to eliminate duplicates Z: 54 38.050 1.987 0.495 0.833 0.981 0.755 CB 1.346 54 residues pruned to eliminate duplicates Z: 53 37.763 1.990 0.484 0.846 1.000 0.769 CB 1.317 53 residues pruned to eliminate duplicates Z: 46 33.079 1.943 0.579 0.744 0.956 0.689 CB 1.353 46 residues pruned to eliminate duplicates Z: 49 30.834 1.948 0.503 0.780 0.958 0.688 CB 1.240 49 residues pruned to eliminate duplicates Z: 50 37.837 2.003 0.472 0.837 0.980 0.714 CB 1.400 50 residues pruned to eliminate duplicates Z: 48 37.746 2.042 0.523 0.858 0.979 0.702 CB 1.333 48 residues pruned to eliminate duplicates Z: 56 30.996 1.925 0.506 0.752 0.891 0.618 CB 1.293 56 residues pruned to eliminate duplicates Z: 50 32.472 1.940 0.478 0.768 0.959 0.694 CB 1.330 50 residues pruned to eliminate duplicates Z: 50 37.865 1.995 0.546 0.837 0.980 0.776 CB 1.340 50 residues pruned to eliminate duplicates Z: 51 43.513 1.996 0.627 0.863 1.000 0.720 CB 1.390 51 residues pruned to eliminate duplicates Z: 48 44.491 2.008 0.751 0.840 1.000 0.660 CB 1.378 48 residues pruned to eliminate duplicates Z: 60 39.424 1.964 0.552 0.806 0.966 0.729 CB 1.334 60 residues pruned to eliminate duplicates Z: 47 28.504 1.962 0.651 0.689 0.913 0.587 CB 1.195 47 residues pruned to eliminate duplicates Z: 51 40.107 1.977 0.664 0.828 1.000 0.660 CB 1.298 51 residues pruned to eliminate duplicates Z: 51 38.209 1.966 0.717 0.819 0.980 0.680 CB 1.239 51 residues pruned to eliminate duplicates Z: 81 51.300 2.001 0.680 0.787 0.950 0.650 CB 1.395 91 residues pruned to eliminate duplicates Z: 30 29.914 2.054 0.514 0.931 0.966 0.759 CB 1.292 30 residues pruned to eliminate duplicates Z: 64 36.547 1.941 0.653 0.766 0.921 0.667 CB 1.232 64 residues pruned to eliminate duplicates Z: 52 39.859 1.978 0.692 0.858 0.980 0.608 CB 1.253 52 residues pruned to eliminate duplicates Z: 54 40.211 2.015 0.671 0.866 0.981 0.642 CB 1.224 54 residues pruned to eliminate duplicates Z: 55 42.420 2.016 0.675 0.850 0.981 0.759 CB 1.291 55 residues pruned to eliminate duplicates Z: 36 37.450 2.115 0.840 0.855 1.000 0.571 CB 1.201 36 residues pruned to eliminate duplicates Z: 55 38.565 1.993 0.690 0.857 0.944 0.704 CB 1.216 55 residues pruned to eliminate duplicates Z: 54 43.309 2.032 0.698 0.857 0.981 0.774 CB 1.294 54 residues pruned to eliminate duplicates Z: 56 43.318 1.998 0.730 0.841 0.982 0.709 CB 1.284 56 residues pruned to eliminate duplicates Z: 58 35.219 1.917 0.648 0.742 0.982 0.544 CB 1.210 58 residues pruned to eliminate duplicates Z: 56 43.203 2.001 0.784 0.869 0.945 0.673 CB 1.261 56 residues pruned to eliminate duplicates Z: 57 39.058 1.967 0.773 0.824 0.982 0.607 CB 1.151 57 residues pruned to eliminate duplicates Z: 57 41.186 1.949 0.803 0.890 0.982 0.643 CB 1.147 57 residues pruned to eliminate duplicates Z: 37 32.494 2.038 0.583 0.782 0.917 0.750 CB 1.429 37 residues pruned to eliminate duplicates Z: 52 47.042 2.020 0.673 0.826 0.980 0.725 CB 1.499 52 residues pruned to eliminate duplicates Z: 42 31.542 1.929 0.605 0.683 0.927 0.659 CB 1.451 42 residues pruned to eliminate duplicates Z: 32 37.183 2.097 0.729 0.852 0.935 0.806 CB 1.457 32 residues pruned to eliminate duplicates Z: 57 43.961 1.959 0.758 0.757 0.929 0.732 CB 1.462 55 residues pruned to eliminate duplicates Z: 30 43.043 2.046 0.888 0.912 1.000 0.621 CB 1.465 30 residues pruned to eliminate duplicates Z: 33 39.894 2.060 0.765 0.839 0.969 0.844 CB 1.494 33 residues pruned to eliminate duplicates Z: 34 41.591 2.065 0.891 0.814 0.970 0.576 CB 1.455 34 residues pruned to eliminate duplicates Z: 59 42.200 1.917 0.779 0.744 0.914 0.690 CB 1.429 59 residues pruned to eliminate duplicates Z: 35 39.750 2.056 0.805 0.817 0.971 0.735 CB 1.437 35 residues pruned to eliminate duplicates Z: 37 35.038 1.992 0.706 0.775 0.972 0.778 CB 1.386 37 residues pruned to eliminate duplicates Z: 55 43.050 1.989 0.723 0.784 0.926 0.741 CB 1.438 55 residues pruned to eliminate duplicates Z: 56 46.910 1.975 0.862 0.785 0.927 0.691 CB 1.443 56 residues pruned to eliminate duplicates Z: 42 34.361 1.974 0.663 0.732 0.927 0.732 CB 1.432 42 residues pruned to eliminate duplicates Z: 43 36.147 1.963 0.660 0.751 0.952 0.762 CB 1.437 43 residues pruned to eliminate duplicates Z: 35 38.862 2.095 0.683 0.849 0.941 0.794 CB 1.488 35 residues pruned to eliminate duplicates Z: 43 39.218 1.976 0.731 0.784 0.929 0.690 CB 1.483 46 residues pruned to eliminate duplicates Z: 31 38.536 2.031 0.699 0.927 0.967 0.767 CB 1.478 31 residues pruned to eliminate duplicates Z: 35 38.844 2.079 0.720 0.835 0.941 0.794 CB 1.482 35 residues pruned to eliminate duplicates Z: 22 30.514 2.155 0.548 0.772 1.000 0.810 CB 1.569 22 residues pruned to eliminate duplicates Z: 37 35.143 2.022 0.668 0.797 0.944 0.806 CB 1.418 37 residues pruned to eliminate duplicates Z: 55 45.994 1.989 0.777 0.805 0.907 0.648 CB 1.496 55 residues pruned to eliminate duplicates Z: 40 32.731 2.013 0.753 0.712 0.897 0.718 CB 1.366 40 residues pruned to eliminate duplicates Z: 41 37.535 2.029 0.732 0.766 0.900 0.725 CB 1.483 41 residues pruned to eliminate duplicates Z: 41 39.875 2.029 0.632 0.790 0.975 0.700 CB 1.514 41 residues pruned to eliminate duplicates Z: 42 38.393 2.001 0.717 0.779 0.927 0.707 CA 1.472 42 residues pruned to eliminate duplicates Z: 29 24.385 1.994 0.621 0.619 0.893 0.643 CB 1.427 29 residues pruned to eliminate duplicates Z: 53 45.743 2.002 0.786 0.815 0.904 0.731 CB 1.493 53 residues pruned to eliminate duplicates Z: 53 46.100 2.018 0.707 0.817 0.942 0.788 CB 1.495 53 residues pruned to eliminate duplicates Z: 43 36.710 1.921 0.802 0.739 0.905 0.595 CB 1.460 43 residues pruned to eliminate duplicates Z: 54 45.569 1.999 0.752 0.809 0.925 0.792 CB 1.476 54 residues pruned to eliminate duplicates Z: 25 24.160 1.866 0.650 0.754 0.917 0.750 CA 1.393 25 residues pruned to eliminate duplicates Z: 53 43.932 2.018 0.674 0.812 0.942 0.769 CB 1.459 53 residues pruned to eliminate duplicates Z: 112 58.725 1.966 0.821 0.792 0.928 0.694 CB 1.299 112 residues pruned to eliminate duplicates Z: 24 26.678 1.859 0.728 0.722 0.957 0.609 CB 1.481 24 residues pruned to eliminate duplicates Z: 55 46.172 2.015 0.818 0.796 0.907 0.722 CB 1.459 55 residues pruned to eliminate duplicates Z: 90 55.259 1.926 0.777 0.752 0.944 0.753 CB 1.448 93 residues pruned to eliminate duplicates Z: 18 26.009 1.909 0.831 0.887 0.941 0.765 CA 1.383 18 residues pruned to eliminate duplicates Z: 51 45.529 2.005 0.742 0.799 0.940 0.740 CB 1.510 51 residues pruned to eliminate duplicates Z: 55 50.981 1.990 0.884 0.804 0.963 0.741 CB 1.473 55 residues pruned to eliminate duplicates Z: 51 51.068 2.026 0.869 0.798 0.960 0.800 CB 1.531 51 residues pruned to eliminate duplicates Z: 24 29.342 1.863 0.775 0.801 1.000 0.739 CB 1.422 24 residues pruned to eliminate duplicates Z: 52 49.057 2.029 0.857 0.840 0.941 0.765 CB 1.446 52 residues pruned to eliminate duplicates Z: 53 45.869 2.016 0.801 0.806 0.923 0.712 CB 1.452 53 residues pruned to eliminate duplicates Z: 23 28.106 1.864 0.825 0.769 1.000 0.682 CB 1.389 23 residues pruned to eliminate duplicates Z: 53 46.520 2.023 0.861 0.815 0.885 0.769 CB 1.473 53 residues pruned to eliminate duplicates Z: 49 50.142 2.023 0.795 0.827 0.979 0.750 CB 1.535 49 residues pruned to eliminate duplicates Z: 24 21.319 1.848 0.660 0.754 0.826 0.696 CB 1.399 24 residues pruned to eliminate duplicates Z: 45 33.509 1.949 0.709 0.682 0.909 0.500 CB 1.412 45 residues pruned to eliminate duplicates Z: 23 24.113 1.861 0.792 0.782 0.955 0.545 CB 1.260 23 residues pruned to eliminate duplicates Z: 44 37.376 1.896 0.927 0.747 0.907 0.721 CB 1.379 44 residues pruned to eliminate duplicates Z: 24 23.606 1.859 0.795 0.775 0.913 0.565 CB 1.267 24 residues pruned to eliminate duplicates Z: 40 37.534 2.010 0.837 0.748 0.872 0.615 CB 1.495 40 residues pruned to eliminate duplicates Z: 56 55.410 2.073 0.757 0.900 1.000 0.782 CA 1.466 56 residues pruned to eliminate duplicates Z: 58 54.433 2.043 0.853 0.838 0.982 0.825 CA 1.449 58 residues pruned to eliminate duplicates Z: 60 53.275 2.075 0.766 0.831 0.966 0.695 CA 1.472 60 residues pruned to eliminate duplicates Z: 54 54.495 2.058 0.765 0.882 1.000 0.849 CA 1.491 54 residues pruned to eliminate duplicates Z: 72 59.661 2.021 0.914 0.829 0.958 0.704 CB 1.439 72 residues pruned to eliminate duplicates Z: 69 58.212 2.088 0.740 0.858 1.000 0.794 CA 1.431 69 residues pruned to eliminate duplicates Z: 58 58.997 2.041 0.922 0.846 0.982 0.702 CB 1.506 58 residues pruned to eliminate duplicates Z: 57 51.482 2.019 0.949 0.829 0.982 0.804 CA 1.339 57 residues pruned to eliminate duplicates Z: 55 58.356 2.051 0.883 0.871 1.000 0.833 CA 1.500 55 residues pruned to eliminate duplicates Z: 65 61.332 2.059 0.828 0.887 1.000 0.781 CB 1.469 65 residues pruned to eliminate duplicates Z: 72 58.242 2.001 0.910 0.845 0.944 0.690 CB 1.426 72 residues pruned to eliminate duplicates Z: 57 59.889 2.046 0.954 0.849 0.982 0.696 CB 1.511 57 residues pruned to eliminate duplicates Z: 36 36.663 2.081 0.694 0.865 0.971 0.771 CB 1.325 36 residues pruned to eliminate duplicates Z: 71 69.682 2.093 0.889 0.898 1.000 0.714 CB 1.507 71 residues pruned to eliminate duplicates Z: 59 60.321 2.041 0.954 0.852 0.983 0.776 CB 1.495 59 residues pruned to eliminate duplicates Z: 63 56.338 2.033 0.911 0.807 0.952 0.548 CB 1.480 63 residues pruned to eliminate duplicates Z: 71 63.694 2.092 0.801 0.891 0.957 0.771 CB 1.517 71 residues pruned to eliminate duplicates Z: 25 38.992 2.165 0.742 0.951 1.000 0.917 CB 1.455 25 residues pruned to eliminate duplicates Z: 19 33.296 2.106 0.877 0.932 1.000 0.722 CB 1.387 19 residues pruned to eliminate duplicates Z: 67 65.361 2.065 1.006 0.849 0.939 0.636 CB 1.533 67 residues pruned to eliminate duplicates Z: 13 12.573 1.843 0.903 0.633 0.917 0.417 CB 0.996 13 residues pruned to eliminate duplicates Z: 55 58.721 2.096 0.918 0.874 0.981 0.667 CB 1.475 55 residues pruned to eliminate duplicates Z: 19 34.521 2.119 0.903 0.933 1.000 0.667 CA 1.408 19 residues pruned to eliminate duplicates Z: 73 65.678 2.051 0.899 0.879 0.986 0.667 CB 1.462 73 residues pruned to eliminate duplicates Z: 19 36.601 2.126 1.032 0.939 1.000 0.722 CA 1.388 19 residues pruned to eliminate duplicates Z: 55 56.647 2.100 0.925 0.862 0.963 0.574 CB 1.454 55 residues pruned to eliminate duplicates Z: 72 67.170 2.057 1.030 0.887 0.972 0.592 CB 1.417 72 residues pruned to eliminate duplicates Z: 20 26.640 2.054 1.188 0.837 0.895 0.421 CB 1.136 20 residues pruned to eliminate duplicates Z: 71 69.747 2.090 1.027 0.903 0.943 0.643 CB 1.487 71 residues pruned to eliminate duplicates Z: 69 62.124 2.062 0.943 0.832 0.971 0.662 CB 1.455 69 residues pruned to eliminate duplicates Z: 104 80.705 2.069 0.997 0.843 0.981 0.767 CB 1.462 105 residues pruned to eliminate duplicates Z: 33 53.099 2.137 1.202 0.955 0.969 0.688 CB 1.415 33 residues pruned to eliminate duplicates Z: 70 53.503 2.068 0.667 0.833 0.928 0.768 CA 1.511 70 residues pruned to eliminate duplicates Z: 60 55.432 2.055 0.779 0.874 0.983 0.847 CA 1.461 60 residues pruned to eliminate duplicates Z: 57 45.190 2.027 0.650 0.843 0.982 0.696 CA 1.369 57 residues pruned to eliminate duplicates Z: 58 52.416 2.042 0.704 0.845 1.000 0.789 CA 1.484 58 residues pruned to eliminate duplicates Z: 30 32.588 1.984 0.723 0.905 1.000 0.862 CA 1.260 30 residues pruned to eliminate duplicates Z: 66 48.801 2.003 0.680 0.832 0.969 0.815 CA 1.393 66 residues pruned to eliminate duplicates Z: 72 51.134 2.010 0.607 0.834 0.958 0.845 CA 1.470 72 residues pruned to eliminate duplicates Z: 55 48.965 2.067 0.712 0.878 1.000 0.852 CA 1.366 55 residues pruned to eliminate duplicates Z: 63 53.058 2.024 0.866 0.792 0.935 0.742 CA 1.476 63 residues pruned to eliminate duplicates Z: 32 31.892 1.939 0.776 0.846 0.935 0.774 CA 1.321 32 residues pruned to eliminate duplicates Z: 57 53.658 2.039 0.779 0.864 0.982 0.804 CA 1.475 57 residues pruned to eliminate duplicates Z: 56 47.186 2.018 0.685 0.849 0.982 0.727 CA 1.413 56 residues pruned to eliminate duplicates Z: 56 59.313 2.061 0.864 0.880 0.982 0.764 CA 1.536 56 residues pruned to eliminate duplicates Z: 55 49.787 2.042 0.739 0.856 0.981 0.759 CA 1.433 55 residues pruned to eliminate duplicates Z: 67 52.385 2.022 0.758 0.842 0.985 0.788 CA 1.373 57 residues pruned to eliminate duplicates Z: 39 38.850 1.917 0.843 0.906 0.974 0.711 CA 1.304 39 residues pruned to eliminate duplicates Z: 65 46.853 1.978 0.774 0.756 0.953 0.703 CA 1.394 65 residues pruned to eliminate duplicates Z: 61 46.028 1.989 0.652 0.813 0.983 0.800 CA 1.400 61 residues pruned to eliminate duplicates Z: 57 51.646 1.992 0.853 0.845 0.982 0.786 CA 1.416 57 residues pruned to eliminate duplicates Z: 70 58.906 2.042 0.712 0.846 1.000 0.812 CA 1.506 70 residues pruned to eliminate duplicates Z: 59 50.789 2.036 0.726 0.858 0.983 0.776 CA 1.422 59 residues pruned to eliminate duplicates Z: 73 60.448 2.033 0.869 0.873 0.986 0.778 CA 1.384 73 residues pruned to eliminate duplicates Z: 79 58.958 2.024 0.793 0.807 0.962 0.756 CA 1.464 79 residues pruned to eliminate duplicates Z: 68 51.827 2.021 0.834 0.787 0.910 0.687 CA 1.458 78 residues pruned to eliminate duplicates Z: 38 48.854 1.987 0.971 0.916 0.973 0.757 CA 1.488 38 residues pruned to eliminate duplicates Z: 54 56.918 2.021 0.881 0.881 0.962 0.755 CA 1.547 54 residues pruned to eliminate duplicates Z: 56 57.269 2.038 0.881 0.857 0.982 0.727 CA 1.512 56 residues pruned to eliminate duplicates Z: 62 65.433 2.081 0.924 0.883 1.000 0.738 CA 1.513 62 residues pruned to eliminate duplicates Z: 60 55.001 2.014 0.873 0.823 0.966 0.831 CA 1.485 60 residues pruned to eliminate duplicates Z: 59 51.349 2.024 0.801 0.842 0.948 0.776 CA 1.454 59 residues pruned to eliminate duplicates Z: 56 60.058 2.035 0.908 0.871 1.000 0.655 CA 1.522 56 residues pruned to eliminate duplicates Z: 40 41.515 2.034 0.824 0.805 0.949 0.718 CA 1.448 40 residues pruned to eliminate duplicates Z: 46 44.700 2.094 0.747 0.838 0.978 0.756 CA 1.392 46 residues pruned to eliminate duplicates Z: 62 64.823 2.063 0.881 0.892 1.000 0.770 CA 1.536 62 residues pruned to eliminate duplicates Z: 46 39.453 1.998 0.764 0.784 0.956 0.756 CA 1.359 46 residues pruned to eliminate duplicates Z: 53 51.097 2.026 0.828 0.827 0.962 0.750 CA 1.499 53 residues pruned to eliminate duplicates Z: 15 21.772 1.790 0.753 0.832 1.000 0.786 CB 1.392 15 residues pruned to eliminate duplicates Z: 18 21.758 1.827 0.522 0.856 1.000 0.882 CA 1.399 18 residues pruned to eliminate duplicates Z: 23 19.000 1.741 0.660 0.680 0.864 0.500 CB 1.375 23 residues pruned to eliminate duplicates Z: 23 23.990 1.819 0.892 0.701 0.909 0.682 CA 1.360 23 residues pruned to eliminate duplicates Z: 17 19.233 1.775 0.760 0.729 0.938 0.688 CB 1.336 17 residues pruned to eliminate duplicates Z: 16 22.535 1.803 0.929 0.773 1.000 0.733 CB 1.314 16 residues pruned to eliminate duplicates Z: 26 27.818 1.822 0.930 0.830 0.920 0.840 CB 1.293 25 residues pruned to eliminate duplicates Z: 21 22.409 1.721 0.764 0.864 0.900 0.700 CB 1.345 22 residues pruned to eliminate duplicates Z: 19 23.302 1.784 0.694 0.903 0.944 0.778 CA 1.372 19 residues pruned to eliminate duplicates Z: 24 29.833 1.857 0.756 0.926 0.957 0.783 CB 1.399 24 residues pruned to eliminate duplicates Z: 22 22.158 1.795 0.636 0.709 1.000 0.762 CA 1.362 22 residues pruned to eliminate duplicates Z: 21 22.238 1.792 0.697 0.734 1.000 0.800 CA 1.325 21 residues pruned to eliminate duplicates Z: 19 20.339 1.812 0.761 0.777 0.944 0.556 CA 1.247 19 residues pruned to eliminate duplicates Z: 22 22.189 1.789 0.726 0.709 0.952 0.762 CB 1.362 22 residues pruned to eliminate duplicates Z: 22 23.794 1.815 0.798 0.751 0.952 0.762 CA 1.336 22 residues pruned to eliminate duplicates Z: 22 23.991 1.776 0.934 0.742 0.952 0.571 CA 1.288 22 residues pruned to eliminate duplicates Z: 28 21.493 1.716 0.677 0.651 0.963 0.630 CB 1.297 21 residues pruned to eliminate duplicates Z: 26 36.409 1.825 1.082 0.941 0.960 0.720 CB 1.385 27 residues pruned to eliminate duplicates Z: 27 33.922 1.779 1.152 0.945 1.000 0.731 CB 1.202 27 residues pruned to eliminate duplicates Z: 27 35.112 1.832 1.053 0.874 1.000 0.731 CB 1.333 27 residues pruned to eliminate duplicates Z: 26 32.201 1.790 0.983 0.856 1.000 0.680 CB 1.338 26 residues pruned to eliminate duplicates Z: 27 32.859 1.779 1.031 0.861 1.000 0.731 CB 1.310 27 residues pruned to eliminate duplicates Z: 28 31.540 1.788 0.974 0.861 0.963 0.778 CB 1.312 28 residues pruned to eliminate duplicates Z: 29 34.200 1.849 0.884 0.862 0.964 0.750 CB 1.413 29 residues pruned to eliminate duplicates Z: 30 33.483 1.840 0.785 0.867 1.000 0.793 CB 1.386 34 residues pruned to eliminate duplicates Z: 26 34.495 1.857 0.960 0.935 0.960 0.800 CB 1.376 26 residues pruned to eliminate duplicates Z: 10 10.149 1.810 0.484 0.486 0.889 0.222 CA 1.437 10 residues pruned to eliminate duplicates Z: 23 33.699 2.081 0.738 0.846 0.955 0.727 CA 1.546 23 residues pruned to eliminate duplicates Z: 26 33.794 2.041 0.674 0.855 1.000 0.840 CA 1.460 26 residues pruned to eliminate duplicates Z: 52 44.622 2.013 0.639 0.857 0.941 0.863 CA 1.483 53 residues pruned to eliminate duplicates Z: 26 36.179 2.023 0.690 0.932 1.000 0.840 CA 1.478 26 residues pruned to eliminate duplicates Z: 35 27.508 1.863 0.696 0.641 0.912 0.647 CB 1.435 35 residues pruned to eliminate duplicates Z: 22 34.498 2.058 0.877 0.785 0.952 0.667 CA 1.592 23 residues pruned to eliminate duplicates Z: 29 35.723 1.927 0.835 0.909 0.964 0.750 CA 1.405 28 residues pruned to eliminate duplicates Z: 26 36.562 1.986 0.905 0.905 0.960 0.720 CA 1.433 26 residues pruned to eliminate duplicates Z: 30 35.242 1.936 0.694 0.844 1.000 0.724 CA 1.485 30 residues pruned to eliminate duplicates Z: 36 36.343 2.030 0.690 0.787 0.914 0.686 CA 1.522 36 residues pruned to eliminate duplicates Z: 29 33.569 1.994 0.861 0.735 0.964 0.643 CA 1.436 29 residues pruned to eliminate duplicates Z: 38 38.177 1.985 0.733 0.779 0.973 0.730 CA 1.466 38 residues pruned to eliminate duplicates Z: 28 37.114 1.967 0.806 0.924 0.963 0.778 CA 1.466 28 residues pruned to eliminate duplicates Z: 26 35.095 2.050 0.839 0.831 0.920 0.800 CA 1.520 26 residues pruned to eliminate duplicates Z: 27 37.877 2.004 0.972 0.821 0.962 0.577 CA 1.480 27 residues pruned to eliminate duplicates Z: 24 40.914 2.088 0.791 0.917 1.000 0.783 CA 1.610 24 residues pruned to eliminate duplicates Z: 25 38.931 2.048 0.863 0.936 1.000 0.750 CA 1.451 25 residues pruned to eliminate duplicates Z: 50 46.970 2.035 0.732 0.832 0.939 0.714 CA 1.523 50 residues pruned to eliminate duplicates Z: 26 41.438 1.986 0.991 0.933 1.000 0.600 CB 1.463 26 residues pruned to eliminate duplicates Z: 55 48.994 2.004 0.645 0.878 0.981 0.704 CB 1.496 55 residues pruned to eliminate duplicates Z: 28 39.726 1.952 0.969 0.903 0.963 0.556 CA 1.473 28 residues pruned to eliminate duplicates Z: 50 50.899 2.043 0.675 0.872 0.959 0.837 CA 1.615 50 residues pruned to eliminate duplicates Z: 28 39.902 1.996 0.983 0.892 0.963 0.667 CA 1.447 28 residues pruned to eliminate duplicates Z: 43 42.017 1.929 0.833 0.780 0.952 0.643 CA 1.504 43 residues pruned to eliminate duplicates Z: 20 18.916 1.856 0.632 0.597 0.895 0.474 CA 1.460 20 residues pruned to eliminate duplicates Z: 47 50.657 2.041 0.756 0.864 0.978 0.783 CA 1.561 47 residues pruned to eliminate duplicates Z: 28 18.585 1.830 0.475 0.560 0.963 0.556 CB 1.298 28 residues pruned to eliminate duplicates Z: 14 16.695 2.032 0.487 0.704 0.923 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 35 28.047 1.944 0.399 0.790 0.971 0.794 CB 1.412 35 residues pruned to eliminate duplicates Z: 14 17.845 1.988 0.505 0.751 0.923 0.692 CB 1.433 14 residues pruned to eliminate duplicates Z: 42 42.961 1.964 0.862 0.800 0.927 0.659 CB 1.523 42 residues pruned to eliminate duplicates Z: 18 19.794 1.759 0.667 0.605 1.000 0.471 CA 1.482 18 residues pruned to eliminate duplicates Z: 33 33.993 1.987 0.603 0.840 0.938 0.594 CB 1.502 33 residues pruned to eliminate duplicates Z: 47 47.930 2.067 0.733 0.842 0.957 0.717 CB 1.538 47 residues pruned to eliminate duplicates Z: 32 28.966 1.975 0.578 0.739 0.871 0.548 CB 1.547 32 residues pruned to eliminate duplicates Z: 27 31.025 2.029 0.586 0.843 0.962 0.538 CB 1.465 27 residues pruned to eliminate duplicates Z: 29 26.209 1.953 0.655 0.738 0.857 0.571 CB 1.444 29 residues pruned to eliminate duplicates Z: 28 31.831 2.068 0.640 0.826 0.963 0.630 CB 1.415 28 residues pruned to eliminate duplicates Z: 38 30.396 1.902 0.627 0.773 0.919 0.649 CB 1.380 38 residues pruned to eliminate duplicates Z: 26 35.837 2.088 0.783 0.862 0.960 0.600 CB 1.472 26 residues pruned to eliminate duplicates Z: 31 37.830 2.019 0.743 0.876 0.967 0.500 CB 1.476 31 residues pruned to eliminate duplicates Z: 30 36.256 2.030 0.730 0.840 0.966 0.621 CB 1.482 30 residues pruned to eliminate duplicates Z: 32 40.438 2.023 0.876 0.848 0.968 0.613 CB 1.466 32 residues pruned to eliminate duplicates Z: 56 41.262 1.951 0.812 0.711 0.873 0.527 CB 1.489 56 residues pruned to eliminate duplicates Z: 16 34.650 2.110 1.039 0.883 0.933 0.733 CB 1.611 16 residues pruned to eliminate duplicates Z: 31 40.876 2.023 0.950 0.850 0.967 0.633 CB 1.450 31 residues pruned to eliminate duplicates Z: 49 39.243 1.953 0.786 0.776 0.917 0.604 CB 1.388 107 residues pruned to eliminate duplicates Z: 23 31.149 1.989 1.030 0.809 0.864 0.636 CB 1.455 Z: 30 44.496 2.027 0.968 0.938 1.000 0.897 CB 1.440 23 residues pruned to eliminate duplicates Z: 31 44.390 1.985 1.067 0.921 1.000 0.700 CB 1.390 30 residues pruned to eliminate duplicates Z: 30 48.760 2.045 1.020 0.946 1.000 0.690 CB 1.517 31 residues pruned to eliminate duplicates Z: 28 42.924 2.076 1.019 0.919 0.963 0.593 CB 1.443 29 residues pruned to eliminate duplicates Z: 29 42.499 2.058 0.970 0.915 0.964 0.750 CB 1.452 29 residues pruned to eliminate duplicates Z: 29 46.757 2.070 1.121 0.911 0.964 0.536 CB 1.479 29 residues pruned to eliminate duplicates Z: 29 42.376 2.064 0.898 0.895 1.000 0.679 CB 1.465 29 residues pruned to eliminate duplicates Z: 29 40.261 2.057 0.875 0.905 0.964 0.607 CB 1.456 29 residues pruned to eliminate duplicates Z: 56 51.795 2.044 0.895 0.827 0.982 0.655 CB 1.384 56 residues pruned to eliminate duplicates Z: 12 22.437 2.009 0.750 0.832 1.000 0.727 CA 1.444 12 residues pruned to eliminate duplicates Z: 33 41.263 2.119 0.788 0.822 1.000 0.812 CB 1.457 33 residues pruned to eliminate duplicates Z: 39 38.455 2.064 0.696 0.748 0.947 0.553 CB 1.508 39 residues pruned to eliminate duplicates Z: 22 33.116 2.061 0.914 0.807 0.952 0.619 CB 1.473 22 residues pruned to eliminate duplicates Z: 44 38.460 2.009 0.896 0.712 0.930 0.605 CB 1.366 44 residues pruned to eliminate duplicates Z: 13 13.030 1.871 0.768 0.634 0.750 0.167 CB 1.338 13 residues pruned to eliminate duplicates Z: 32 47.300 2.133 1.079 0.864 1.000 0.839 CB 1.404 32 residues pruned to eliminate duplicates Z: 30 49.454 2.168 1.017 0.909 1.000 0.828 CA 1.491 30 residues pruned to eliminate duplicates Z: 63 56.925 2.068 0.927 0.829 0.952 0.710 CB 1.435 92 residues pruned to eliminate duplicates Z: 30 43.041 2.131 0.827 0.916 1.000 0.897 CA 1.450 30 residues pruned to eliminate duplicates Z: 51 49.826 2.064 0.822 0.780 0.980 0.780 CB 1.493 51 residues pruned to eliminate duplicates Z: 29 49.888 2.156 1.041 0.919 1.000 0.857 CA 1.510 29 residues pruned to eliminate duplicates Z: 21 31.394 2.121 0.873 0.850 0.950 0.800 CA 1.377 21 residues pruned to eliminate duplicates Z: 42 36.914 2.021 0.688 0.726 0.927 0.756 CB 1.487 42 residues pruned to eliminate duplicates Z: 57 50.401 2.056 0.783 0.821 0.964 0.732 CB 1.442 57 residues pruned to eliminate duplicates Z: 40 41.036 2.072 0.742 0.814 0.949 0.718 CB 1.461 40 residues pruned to eliminate duplicates Z: 51 48.435 2.074 0.846 0.749 0.940 0.680 CB 1.524 51 residues pruned to eliminate duplicates Z: 35 47.388 2.101 0.986 0.807 0.971 0.824 CB 1.535 35 residues pruned to eliminate duplicates Z: 30 46.115 2.182 0.931 0.922 1.000 0.793 CA 1.429 30 residues pruned to eliminate duplicates Z: 38 41.315 2.116 0.746 0.796 0.946 0.811 CB 1.499 38 residues pruned to eliminate duplicates Z: 38 46.323 2.136 0.852 0.797 0.973 0.757 CB 1.525 38 residues pruned to eliminate duplicates Z: 31 44.657 2.099 0.967 0.894 0.967 0.733 CA 1.465 31 residues pruned to eliminate duplicates Z: 30 47.378 2.168 0.911 0.884 1.000 0.759 CA 1.535 30 residues pruned to eliminate duplicates Z: 47 38.477 2.011 0.690 0.687 0.957 0.696 CB 1.470 47 residues pruned to eliminate duplicates Z: 43 35.381 2.048 0.706 0.703 0.881 0.762 CB 1.474 43 residues pruned to eliminate duplicates Z: 30 42.897 2.123 0.974 0.873 0.966 0.724 CA 1.433 30 residues pruned to eliminate duplicates Z: 55 50.301 2.067 0.824 0.794 0.944 0.685 CA 1.486 55 residues pruned to eliminate duplicates Z: 45 37.798 2.066 0.731 0.689 0.886 0.705 CB 1.512 45 residues pruned to eliminate duplicates Z: 56 47.673 2.057 0.795 0.806 0.909 0.727 CB 1.466 56 residues pruned to eliminate duplicates Z: 38 45.295 2.164 0.767 0.804 0.973 0.838 CB 1.534 38 residues pruned to eliminate duplicates Z: 26 27.271 1.981 0.620 0.776 0.920 0.680 CA 1.447 26 residues pruned to eliminate duplicates Z: 24 25.643 2.016 0.710 0.666 0.870 0.652 CB 1.529 24 residues pruned to eliminate duplicates Z: 59 54.658 2.086 0.810 0.841 0.948 0.741 CA 1.494 59 residues pruned to eliminate duplicates Z: 54 50.544 2.085 0.772 0.831 0.962 0.660 CA 1.467 54 residues pruned to eliminate duplicates Z: 54 54.984 2.107 0.835 0.825 1.000 0.736 CA 1.474 54 residues pruned to eliminate duplicates Z: 30 22.489 1.913 0.688 0.594 0.828 0.517 CA 1.428 30 residues pruned to eliminate duplicates Z: 50 44.153 2.062 0.707 0.792 0.939 0.796 CA 1.478 50 residues pruned to eliminate duplicates Z: 29 26.613 1.980 0.567 0.778 0.893 0.679 CA 1.421 29 residues pruned to eliminate duplicates Z: 24 30.002 2.027 0.670 0.852 0.957 0.739 CA 1.429 24 residues pruned to eliminate duplicates Z: 19 22.431 1.901 0.937 0.677 0.833 0.722 CA 1.463 19 residues pruned to eliminate duplicates Z: 53 56.247 2.106 0.994 0.848 0.942 0.712 CA 1.463 53 residues pruned to eliminate duplicates Z: 26 31.771 2.005 0.802 0.753 0.920 0.720 CB 1.525 26 residues pruned to eliminate duplicates Z: 87 60.295 2.002 0.892 0.789 0.942 0.570 CB 1.413 87 residues pruned to eliminate duplicates Z: 31 33.327 1.975 0.656 0.844 0.933 0.633 CB 1.483 31 residues pruned to eliminate duplicates Z: 28 25.843 1.914 0.869 0.646 0.852 0.407 CA 1.424 28 residues pruned to eliminate duplicates Z: 16 26.504 1.850 1.161 0.763 0.933 0.467 CB 1.452 16 residues pruned to eliminate duplicates Z: 57 55.467 2.067 0.896 0.830 0.946 0.768 CA 1.501 57 residues pruned to eliminate duplicates Z: 22 30.037 2.028 0.998 0.757 0.952 0.571 CA 1.351 22 residues pruned to eliminate duplicates Z: 27 26.681 1.926 0.858 0.707 0.885 0.615 CB 1.369 27 residues pruned to eliminate duplicates Z: 26 35.515 2.027 0.893 0.808 0.960 0.680 CB 1.474 26 residues pruned to eliminate duplicates Z: 21 38.434 2.035 1.019 0.901 1.000 0.600 CA 1.492 21 residues pruned to eliminate duplicates Z: 25 36.875 2.049 0.876 0.860 0.917 0.542 CB 1.571 25 residues pruned to eliminate duplicates Z: 33 36.842 1.953 0.863 0.787 0.938 0.594 CA 1.484 33 residues pruned to eliminate duplicates Z: 31 32.411 1.954 0.836 0.795 0.933 0.467 CB 1.365 32 residues pruned to eliminate duplicates Z: 29 38.413 1.939 0.850 0.917 1.000 0.607 CA 1.428 29 residues pruned to eliminate duplicates Z: 67 54.332 1.976 0.980 0.790 0.924 0.682 CB 1.434 66 residues pruned to eliminate duplicates Z: 29 37.641 1.930 0.945 0.907 1.000 0.714 CB 1.347 28 residues pruned to eliminate duplicates Z: 21 27.268 1.819 1.139 0.864 0.950 0.550 CB 1.209 21 residues pruned to eliminate duplicates Z: 30 33.880 1.877 0.921 0.876 0.966 0.586 CB 1.313 30 residues pruned to eliminate duplicates Z: 63 53.304 2.012 0.885 0.846 0.952 0.629 CB 1.394 63 residues pruned to eliminate duplicates Z: 25 25.615 1.802 0.546 0.942 1.000 0.750 CA 1.302 25 residues pruned to eliminate duplicates Z: 25 22.398 1.797 0.430 0.930 1.000 0.833 CA 1.245 25 residues pruned to eliminate duplicates Z: 24 19.486 1.777 0.474 0.883 0.957 0.826 CA 1.173 24 residues pruned to eliminate duplicates Z: 25 22.510 1.763 0.501 0.936 0.958 0.875 CA 1.262 25 residues pruned to eliminate duplicates Z: 45 34.359 1.837 0.657 0.772 0.977 0.841 CB 1.369 45 residues pruned to eliminate duplicates Z: 26 24.668 1.767 0.633 0.867 1.000 0.800 CA 1.252 26 residues pruned to eliminate duplicates Z: 25 21.561 1.788 0.546 0.898 0.917 0.792 CA 1.242 25 residues pruned to eliminate duplicates Z: 47 29.558 1.790 0.535 0.795 0.913 0.717 CA 1.342 47 residues pruned to eliminate duplicates Z: 25 28.234 1.797 0.789 0.939 0.958 0.875 CA 1.300 25 residues pruned to eliminate duplicates Z: 24 29.374 1.821 0.726 0.938 1.000 0.826 CA 1.354 24 residues pruned to eliminate duplicates Z: 24 26.142 1.827 0.677 0.930 0.957 0.826 CA 1.300 24 residues pruned to eliminate duplicates Z: 25 24.565 1.776 0.574 0.936 1.000 0.708 CA 1.249 25 residues pruned to eliminate duplicates Z: 23 28.879 1.816 0.823 0.942 1.000 0.864 CA 1.290 23 residues pruned to eliminate duplicates Z: 36 30.048 1.827 0.736 0.808 0.971 0.771 CA 1.261 36 residues pruned to eliminate duplicates Z: 39 26.804 1.766 0.705 0.743 0.895 0.605 CA 1.298 39 residues pruned to eliminate duplicates Z: 28 21.757 1.750 0.526 0.869 0.926 0.741 CB 1.237 28 residues pruned to eliminate duplicates Z: 38 28.471 1.789 0.684 0.814 0.973 0.730 CB 1.216 38 residues pruned to eliminate duplicates Z: 15 14.258 1.851 0.502 0.811 0.929 0.714 CA 1.127 15 residues pruned to eliminate duplicates Z: 37 28.500 1.789 0.684 0.808 0.944 0.806 CA 1.277 37 residues pruned to eliminate duplicates Z: 42 28.329 1.770 0.678 0.752 0.902 0.585 CA 1.319 42 residues pruned to eliminate duplicates Z: 27 23.297 1.760 0.571 0.885 0.923 0.654 CA 1.293 27 residues pruned to eliminate duplicates Z: 10 5.345 1.577 0.637 0.479 0.889 0.556 CB 0.793 10 residues pruned to eliminate duplicates Z: 26 24.364 1.751 0.759 0.896 0.920 0.600 CA 1.232 26 residues pruned to eliminate duplicates Z: 46 28.439 1.745 0.599 0.800 0.933 0.622 CA 1.252 46 residues pruned to eliminate duplicates Z: 47 29.458 1.772 0.636 0.793 0.913 0.630 CB 1.270 47 residues pruned to eliminate duplicates Z: 46 25.507 1.732 0.765 0.728 0.867 0.667 CB 1.168 46 residues pruned to eliminate duplicates Z: 11 14.602 1.871 0.457 0.719 1.000 0.800 CB 1.389 11 residues pruned to eliminate duplicates Z: 17 12.850 1.643 0.716 0.543 0.875 0.562 N 1.249 17 residues pruned to eliminate duplicates Z: 39 26.330 1.718 0.681 0.703 0.921 0.579 CB 1.335 39 residues pruned to eliminate duplicates Z: 12 17.071 1.775 0.790 0.797 0.909 0.818 CA 1.374 12 residues pruned to eliminate duplicates Z: 22 21.542 1.810 0.542 0.711 0.952 0.714 CB 1.460 22 residues pruned to eliminate duplicates Z: 25 19.896 1.744 0.603 0.700 0.875 0.625 N 1.384 25 residues pruned to eliminate duplicates Z: 19 25.704 1.911 0.698 0.882 0.889 0.778 N 1.520 19 residues pruned to eliminate duplicates Z: 19 29.506 1.896 0.737 0.880 1.000 0.833 CB 1.531 19 residues pruned to eliminate duplicates Z: 18 30.409 1.921 0.726 0.922 1.000 0.706 CB 1.565 18 residues pruned to eliminate duplicates Z: 29 24.096 1.783 0.848 0.720 0.929 0.643 CB 1.220 29 residues pruned to eliminate duplicates Z: 14 16.876 1.822 0.615 0.836 0.846 0.615 N 1.406 14 residues pruned to eliminate duplicates Z: 20 19.537 1.797 0.732 0.782 0.947 0.632 CB 1.186 20 residues pruned to eliminate duplicates Z: 18 18.355 1.788 0.813 0.609 0.882 0.529 CB 1.403 18 residues pruned to eliminate duplicates Z: 20 10.018 1.703 0.473 0.514 0.789 0.474 CB 1.144 20 residues pruned to eliminate duplicates Z: 45 28.201 1.771 0.696 0.752 0.909 0.682 CB 1.243 45 residues pruned to eliminate duplicates Z: 24 16.668 1.755 0.750 0.625 0.913 0.522 CB 1.102 24 residues pruned to eliminate duplicates Z: 19 21.223 1.816 1.009 0.765 0.889 0.500 CB 1.219 19 residues pruned to eliminate duplicates Z: 24 27.647 1.810 0.849 0.839 0.913 0.609 CB 1.409 24 residues pruned to eliminate duplicates Z: 47 33.416 1.750 0.878 0.837 0.957 0.391 CB 1.172 47 residues pruned to eliminate duplicates Z: 14 7.282 1.619 1.031 0.732 0.615 0.385 CB 0.811 14 residues pruned to eliminate duplicates Z: 24 28.002 1.780 1.002 0.885 0.957 0.565 CB 1.236 24 residues pruned to eliminate duplicates Z: 26 24.590 1.725 0.951 0.694 0.920 0.560 CB 1.331 27 residues pruned to eliminate duplicates Z: 14 14.992 1.724 0.788 0.844 0.923 0.538 CB 1.088 14 residues pruned to eliminate duplicates Z: 16 16.149 1.575 0.832 0.705 1.000 0.600 CB 1.199 16 residues pruned to eliminate duplicates Z: 21 11.841 1.651 0.887 0.562 0.650 0.250 N 1.231 21 residues pruned to eliminate duplicates Z: 12 9.718 1.650 0.780 0.461 0.818 0.455 CB 1.269 11 residues pruned to eliminate duplicates Z: 13 10.835 1.403 0.361 0.840 1.000 0.583 O 1.222 12 residues pruned to eliminate duplicates Z: 9 13.259 1.444 0.777 0.910 1.000 0.750 CB 1.295 11 residues pruned to eliminate duplicates Z: 12 12.547 1.420 0.766 0.900 0.909 0.364 CB 1.185 11 residues pruned to eliminate duplicates Z: 14 14.569 1.436 0.678 0.925 1.000 0.615 CA 1.176 14 residues pruned to eliminate duplicates Z: 10 7.171 1.561 0.685 0.499 0.778 0.556 CB 1.170 10 residues pruned to eliminate duplicates Z: 8 5.907 1.509 0.746 0.767 0.857 0.857 CB 0.781 8 residues pruned to eliminate duplicates Z: 10 8.992 1.420 0.511 0.859 1.000 0.667 CB 1.028 10 residues pruned to eliminate duplicates Z: 11 13.269 1.429 0.649 0.918 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 13 11.733 1.422 0.622 0.886 1.000 0.583 CB 1.060 13 residues pruned to eliminate duplicates Z: 7 3.460 1.276 0.272 0.612 1.000 0.833 CA 0.782 5 residues pruned to eliminate duplicates Z: 15 10.615 1.378 0.768 0.934 0.929 0.429 CB 0.875 15 residues pruned to eliminate duplicates Z: 7 3.837 1.287 0.108 0.789 0.833 0.667 CA 1.023 Z: 9 5.304 1.234 0.343 0.846 0.875 0.750 CB 0.961 7 residues pruned to eliminate duplicates Z: 8 6.188 1.317 0.161 0.875 1.000 0.714 O 1.113 9 residues pruned to eliminate duplicates Z: 8 4.568 1.318 0.194 0.817 0.857 0.857 CB 0.971 8 residues pruned to eliminate duplicates Z: 8 4.325 1.330 0.511 0.550 0.714 0.429 CB 1.085 9 residues pruned to eliminate duplicates Z: 8 5.334 1.310 0.293 0.838 1.000 0.571 CB 0.890 8 residues pruned to eliminate duplicates Z: 10 7.560 1.706 0.234 0.491 0.889 0.444 CB 1.358 5 residues pruned to eliminate duplicates Z: 20 15.673 1.539 0.367 0.839 1.000 0.842 N 1.277 20 residues pruned to eliminate duplicates Z: 12 7.534 1.596 0.269 0.394 1.000 0.273 CB 1.255 12 residues pruned to eliminate duplicates Z: 11 4.427 1.554 0.480 0.400 0.700 0.300 CB 0.966 11 residues pruned to eliminate duplicates Z: 13 7.428 1.544 0.393 0.552 0.750 0.417 N 1.264 13 residues pruned to eliminate duplicates Z: 12 8.987 1.603 0.365 0.585 0.818 0.455 CB 1.395 12 residues pruned to eliminate duplicates Z: 13 9.053 1.384 0.291 0.806 1.000 0.750 C 1.120 13 residues pruned to eliminate duplicates Z: 18 18.014 1.561 0.554 0.910 0.941 0.824 N 1.357 18 residues pruned to eliminate duplicates Z: 19 16.649 1.533 0.620 0.813 0.944 0.611 N 1.275 19 residues pruned to eliminate duplicates Z: 17 18.934 1.579 0.696 0.892 0.938 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 24 13.833 1.506 0.547 0.700 0.870 0.435 CB 1.186 24 residues pruned to eliminate duplicates Z: 18 12.849 1.572 0.462 0.754 0.824 0.706 CB 1.313 16 residues pruned to eliminate duplicates Z: 19 13.931 1.501 0.563 0.863 0.833 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 15 16.495 1.641 0.573 0.826 0.929 0.786 CB 1.386 15 residues pruned to eliminate duplicates Z: 17 11.138 1.544 0.330 0.754 0.875 0.562 CB 1.235 17 residues pruned to eliminate duplicates Z: 22 13.014 1.542 0.591 0.619 0.857 0.667 CB 1.207 22 residues pruned to eliminate duplicates Z: 15 17.288 1.659 0.608 0.807 0.929 0.643 CB 1.428 15 residues pruned to eliminate duplicates Z: 14 13.945 1.627 0.481 0.682 1.000 0.692 CA 1.359 14 residues pruned to eliminate duplicates Z: 15 13.451 1.633 0.546 0.789 0.786 0.643 CB 1.406 15 residues pruned to eliminate duplicates Z: 20 14.904 1.572 0.491 0.656 0.895 0.474 CB 1.410 20 residues pruned to eliminate duplicates Z: 15 16.384 1.623 0.759 0.798 0.857 0.786 CB 1.378 15 residues pruned to eliminate duplicates Z: 18 15.155 1.599 0.523 0.746 0.882 0.588 CB 1.372 18 residues pruned to eliminate duplicates Z: 25 12.463 1.548 0.463 0.682 0.875 0.583 CB 1.086 25 residues pruned to eliminate duplicates Z: 29 15.511 1.561 0.590 0.687 0.857 0.607 CB 1.162 27 residues pruned to eliminate duplicates Z: 25 19.231 1.547 0.589 0.925 0.958 0.833 CB 1.169 24 residues pruned to eliminate duplicates Z: 27 17.325 1.498 0.627 0.914 0.923 0.731 CB 1.068 28 residues pruned to eliminate duplicates Z: 27 16.795 1.513 0.521 0.885 0.923 0.692 CB 1.120 27 residues pruned to eliminate duplicates Z: 6 2.981 1.558 0.526 0.815 1.000 0.800 CB 0.426 6 residues pruned to eliminate duplicates Z: 7 5.425 1.388 0.458 0.505 1.000 0.500 CB 1.089 6 residues pruned to eliminate duplicates Z: 10 7.310 1.544 0.407 0.780 0.889 0.778 CB 0.986 10 residues pruned to eliminate duplicates Z: 11 5.860 1.383 0.558 0.554 0.800 0.400 CB 1.020 11 residues pruned to eliminate duplicates Z: 28 12.542 1.441 0.702 0.662 0.889 0.444 CB 0.953 28 residues pruned to eliminate duplicates Z: 13 8.009 1.409 0.771 0.561 0.750 0.250 CB 1.165 12 residues pruned to eliminate duplicates Z: 19 16.243 1.484 0.758 0.931 1.000 0.722 CB 1.026 21 residues pruned to eliminate duplicates Z: 14 15.426 1.456 1.056 0.899 0.923 0.769 CB 1.107 14 residues pruned to eliminate duplicates Z: 21 14.996 1.543 0.317 0.903 1.000 0.900 CB 1.176 21 residues pruned to eliminate duplicates Z: 9 11.654 1.688 0.625 0.887 1.000 0.875 CB 1.083 9 residues pruned to eliminate duplicates Z: 8 9.263 1.686 0.412 0.867 1.000 1.000 CB 1.076 8 residues pruned to eliminate duplicates Z: 11 8.033 1.525 0.610 0.715 0.900 0.600 CB 0.946 11 residues pruned to eliminate duplicates Z: 15 10.540 1.433 0.632 0.734 1.000 0.571 CB 0.976 15 residues pruned to eliminate duplicates Z: 17 9.859 1.463 0.431 0.798 0.938 0.812 CB 0.968 17 residues pruned to eliminate duplicates Z: 14 7.102 1.378 0.621 0.560 0.846 0.615 CB 0.982 14 residues pruned to eliminate duplicates Z: 12 6.602 1.506 0.118 0.814 0.909 0.727 CB 0.990 12 residues pruned to eliminate duplicates Z: 8 4.105 1.430 0.394 0.570 0.714 0.714 CB 1.018 8 residues pruned to eliminate duplicates Z: 10 10.476 1.529 0.349 0.780 1.000 0.778 N 1.324 10 residues pruned to eliminate duplicates Z: 12 6.461 1.482 0.523 0.497 0.727 0.545 N 1.190 12 residues pruned to eliminate duplicates Z: 12 8.234 1.429 0.345 0.719 0.909 0.818 CA 1.166 12 residues pruned to eliminate duplicates Z: 18 11.263 1.533 0.532 0.604 0.882 0.471 CB 1.194 18 residues pruned to eliminate duplicates Z: 11 9.865 1.537 0.491 0.799 1.000 0.700 N 1.048 11 residues pruned to eliminate duplicates Z: 13 10.407 1.511 0.469 0.669 0.917 0.583 N 1.264 13 residues pruned to eliminate duplicates Z: 10 12.818 1.610 0.496 0.859 1.000 0.889 N 1.304 10 residues pruned to eliminate duplicates Z: 13 13.559 1.509 0.651 0.891 1.000 0.750 CB 1.129 12 residues pruned to eliminate duplicates Z: 14 11.064 1.484 0.436 0.838 1.000 0.692 CB 1.077 14 residues pruned to eliminate duplicates 487 residues left after pruning, divided into chains as follows: A: 9 B: 65 C: 30 D: 133 E: 166 F: 16 G: 7 H: 33 I: 28 CC for partial structure against native data = 42.48 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.457, Connect. = 0.727 for dens.mod. cycle 1 = 0.300, Contrast = 0.536, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.639, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.651, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.661, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.663, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.666, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.667, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.667, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.667, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2632 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 572 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 38 47.715 2.011 0.834 0.930 1.000 0.730 CB 1.488 B: 20 25.127 2.229 0.321 0.944 0.947 0.947 CB 1.431 C: 29 51.073 2.195 1.027 0.938 1.000 0.893 CA 1.508 D: 22 23.876 2.144 0.194 0.946 1.000 0.952 CB 1.407 20 residues pruned to eliminate duplicates E: 30 37.715 2.085 0.888 0.886 0.931 0.586 CB 1.379 F: 31 46.756 2.122 0.883 0.955 1.000 0.900 CA 1.469 29 residues pruned to eliminate duplicates G: 40 42.376 1.930 0.784 0.887 1.000 0.769 CB 1.421 40 residues pruned to eliminate duplicates H: 37 43.312 2.006 1.014 0.937 0.972 0.500 CB 1.279 I: 37 35.815 1.993 0.729 0.927 0.972 0.639 CB 1.249 37 residues pruned to eliminate duplicates J: 17 28.387 2.228 0.823 0.943 0.938 0.562 CB 1.292 23 residues pruned to eliminate duplicates K: 30 61.091 2.132 1.392 0.943 1.000 0.724 CB 1.541 31 residues pruned to eliminate duplicates L: 36 48.727 2.065 1.104 0.948 1.000 0.571 CB 1.308 37 residues pruned to eliminate duplicates M: 21 26.811 2.199 0.564 0.925 0.900 0.650 CB 1.359 17 residues pruned to eliminate duplicates N: 32 36.169 1.968 0.655 0.901 1.000 0.742 CB 1.423 30 residues pruned to eliminate duplicates O: 24 32.942 2.155 0.623 0.955 1.000 0.826 CB 1.349 20 residues pruned to eliminate duplicates P: 32 36.019 1.957 0.745 0.909 0.968 0.742 CB 1.389 32 residues pruned to eliminate duplicates Q: 26 27.182 2.048 0.511 0.934 0.960 0.720 CB 1.276 24 residues pruned to eliminate duplicates R: 28 28.373 1.844 0.692 0.869 1.000 0.667 CB 1.278 S: 30 51.474 2.153 1.103 0.943 1.000 0.793 CA 1.463 30 residues pruned to eliminate duplicates T: 30 47.138 2.140 1.090 0.927 1.000 0.966 CA 1.371 30 residues pruned to eliminate duplicates U: 30 35.096 2.114 0.560 0.933 1.000 0.966 CA 1.379 30 residues pruned to eliminate duplicates V: 29 33.508 1.983 0.985 0.932 0.929 0.679 CB 1.209 29 residues pruned to eliminate duplicates W: 23 29.406 2.153 0.486 0.944 0.955 0.773 CB 1.422 23 residues pruned to eliminate duplicates X: 16 33.944 2.230 0.840 0.938 1.000 0.533 CB 1.486 16 residues pruned to eliminate duplicates Y: 29 44.289 2.132 0.947 0.929 1.000 0.929 CA 1.411 29 residues pruned to eliminate duplicates Z: 30 47.421 2.122 1.148 0.929 0.931 0.793 CB 1.452 30 residues pruned to eliminate duplicates Z: 30 38.054 2.131 0.680 0.935 0.966 0.931 CA 1.425 30 residues pruned to eliminate duplicates Z: 28 30.557 1.971 0.537 0.895 0.963 0.778 CA 1.445 Z: 30 32.824 2.128 0.403 0.940 1.000 0.828 CA 1.418 30 residues pruned to eliminate duplicates Z: 36 38.926 2.069 0.719 0.944 0.914 0.800 CB 1.401 36 residues pruned to eliminate duplicates Z: 19 13.793 1.785 0.073 0.882 0.889 0.889 CA 1.381 Z: 30 56.461 2.133 1.311 0.932 1.000 0.621 CB 1.485 30 residues pruned to eliminate duplicates Z: 29 46.700 2.174 0.956 0.935 0.964 0.929 CA 1.501 29 residues pruned to eliminate duplicates Z: 25 28.339 1.827 0.537 0.932 1.000 0.792 CB 1.438 Z: 38 36.059 1.989 0.581 0.907 0.946 0.838 CA 1.417 38 residues pruned to eliminate duplicates Z: 27 35.654 2.050 1.194 0.928 0.962 0.538 CB 1.132 27 residues pruned to eliminate duplicates Z: 26 26.839 2.060 0.508 0.921 0.920 0.760 CB 1.322 26 residues pruned to eliminate duplicates Z: 39 45.654 1.933 0.979 0.879 0.947 0.579 CB 1.482 39 residues pruned to eliminate duplicates Z: 37 38.370 2.012 0.770 0.948 1.000 0.667 CB 1.240 37 residues pruned to eliminate duplicates Z: 19 26.055 1.880 0.531 0.932 1.000 0.889 CB 1.490 Z: 20 28.428 2.059 0.775 0.881 0.895 0.684 CB 1.444 20 residues pruned to eliminate duplicates Z: 21 21.466 2.159 0.054 0.950 1.000 0.950 CB 1.456 21 residues pruned to eliminate duplicates Z: 36 44.453 2.043 1.116 0.950 0.971 0.371 CB 1.235 36 residues pruned to eliminate duplicates Z: 30 27.212 1.940 0.820 0.700 0.828 0.552 CB 1.441 26 residues pruned to eliminate duplicates Z: 11 22.956 1.932 0.671 0.923 1.000 0.800 CB 1.580 11 residues pruned to eliminate duplicates Z: 30 46.933 2.124 0.978 0.903 1.000 0.828 CB 1.479 30 residues pruned to eliminate duplicates Z: 32 37.097 2.006 0.703 0.878 1.000 0.677 CB 1.415 32 residues pruned to eliminate duplicates Z: 33 45.660 2.014 0.871 0.919 0.969 0.719 CA 1.558 33 residues pruned to eliminate duplicates Z: 11 12.684 2.073 0.058 0.887 0.900 0.800 CA 1.465 11 residues pruned to eliminate duplicates Z: 31 38.101 2.017 0.766 0.929 0.967 0.867 CB 1.414 32 residues pruned to eliminate duplicates Z: 40 37.412 1.894 0.665 0.891 1.000 0.795 CA 1.365 40 residues pruned to eliminate duplicates Z: 39 41.872 1.935 0.808 0.901 0.974 0.684 CB 1.423 39 residues pruned to eliminate duplicates Z: 28 30.649 1.987 0.476 0.906 0.963 0.852 CA 1.485 27 residues pruned to eliminate duplicates Z: 30 36.037 2.043 0.640 0.917 1.000 0.862 CB 1.409 30 residues pruned to eliminate duplicates Z: 29 28.308 1.812 0.653 0.851 1.000 0.679 CB 1.322 28 residues pruned to eliminate duplicates Z: 23 21.752 1.839 0.675 0.875 0.909 0.682 CB 1.205 Z: 20 34.206 2.084 0.881 0.869 1.000 0.842 CA 1.463 20 residues pruned to eliminate duplicates Z: 30 39.829 2.091 0.810 0.910 0.931 0.759 CB 1.489 30 residues pruned to eliminate duplicates Z: 30 39.078 2.065 0.814 0.931 0.966 0.828 CB 1.402 30 residues pruned to eliminate duplicates Z: 19 31.062 1.992 0.819 0.931 0.944 0.722 CA 1.495 19 residues pruned to eliminate duplicates Z: 30 37.788 2.030 0.666 0.938 1.000 0.828 CB 1.443 30 residues pruned to eliminate duplicates Z: 17 28.804 2.064 0.700 0.910 0.938 0.688 CB 1.553 17 residues pruned to eliminate duplicates Z: 26 31.317 2.022 0.527 0.899 0.960 0.640 CA 1.511 26 residues pruned to eliminate duplicates Z: 23 36.134 2.040 0.828 0.895 0.955 0.591 CA 1.552 27 residues pruned to eliminate duplicates Z: 30 38.829 2.039 0.826 0.932 0.966 0.759 CB 1.400 30 residues pruned to eliminate duplicates Z: 28 31.809 2.029 0.918 0.947 1.000 0.444 CB 1.087 25 residues pruned to eliminate duplicates Z: 29 40.624 2.165 0.868 0.912 0.964 0.893 CA 1.394 29 residues pruned to eliminate duplicates Z: 21 21.234 1.804 0.721 0.924 0.950 0.550 CB 1.131 Z: 23 23.378 1.807 0.545 0.919 1.000 0.955 CA 1.259 Z: 28 53.983 2.237 1.113 0.961 1.000 0.852 CA 1.504 28 residues pruned to eliminate duplicates Z: 37 39.697 2.011 0.640 0.919 1.000 0.778 CA 1.414 37 residues pruned to eliminate duplicates Z: 17 32.364 2.018 0.961 0.851 0.938 0.812 CB 1.614 17 residues pruned to eliminate duplicates Z: 18 26.703 1.916 0.773 0.902 0.941 0.647 N 1.445 19 residues pruned to eliminate duplicates Z: 15 20.784 1.777 0.622 0.921 1.000 0.571 CB 1.356 15 residues pruned to eliminate duplicates Z: 36 33.727 1.814 0.565 0.922 1.000 0.800 CB 1.412 29 residues pruned to eliminate duplicates Z: 30 39.149 2.051 0.706 0.925 0.966 0.793 CB 1.510 30 residues pruned to eliminate duplicates Z: 11 20.955 1.929 1.106 0.920 1.000 0.400 CB 1.149 14 residues pruned to eliminate duplicates Z: 56 54.009 2.057 0.756 0.888 0.964 0.836 CA 1.507 57 residues pruned to eliminate duplicates Z: 37 40.751 2.005 0.747 0.936 0.972 0.889 CB 1.390 37 residues pruned to eliminate duplicates Z: 20 22.693 1.814 0.607 0.899 1.000 0.789 CB 1.277 21 residues pruned to eliminate duplicates Z: 39 46.134 1.927 0.862 0.914 1.000 0.842 CA 1.475 39 residues pruned to eliminate duplicates Z: 27 21.082 1.800 0.595 0.936 0.923 0.538 CB 1.086 27 residues pruned to eliminate duplicates Z: 23 24.423 1.849 0.556 0.888 1.000 0.773 CA 1.304 23 residues pruned to eliminate duplicates Z: 21 24.436 1.868 0.811 0.894 0.950 0.750 CB 1.220 23 residues pruned to eliminate duplicates Z: 124 83.302 2.087 0.993 0.818 0.959 0.577 CB 1.429 123 residues pruned to eliminate duplicates Z: 40 47.355 1.902 0.926 0.915 1.000 0.615 CB 1.464 40 residues pruned to eliminate duplicates Z: 29 25.276 2.038 0.198 0.918 1.000 0.821 CB 1.380 29 residues pruned to eliminate duplicates Z: 13 17.081 1.873 0.682 0.867 1.000 0.667 CB 1.145 11 residues pruned to eliminate duplicates Z: 29 57.412 2.168 1.225 0.935 1.000 0.786 CB 1.567 29 residues pruned to eliminate duplicates Z: 30 40.077 2.082 0.649 0.934 0.966 0.897 CB 1.565 31 residues pruned to eliminate duplicates Z: 25 28.778 1.822 0.646 0.927 1.000 0.875 CB 1.373 25 residues pruned to eliminate duplicates Z: 27 27.196 1.954 0.455 0.904 1.000 0.846 CA 1.336 27 residues pruned to eliminate duplicates Z: 31 40.783 2.040 0.788 0.921 1.000 0.767 CB 1.437 31 residues pruned to eliminate duplicates Z: 26 27.281 1.778 0.862 0.928 0.920 0.840 CA 1.255 Z: 30 57.278 2.115 1.349 0.921 1.000 0.621 CB 1.506 30 residues pruned to eliminate duplicates Z: 38 43.899 1.984 0.873 0.900 0.973 0.703 CA 1.426 38 residues pruned to eliminate duplicates Z: 9 6.204 1.886 0.332 0.485 0.750 0.750 CB 1.182 Z: 24 21.675 1.765 0.605 0.921 0.957 0.826 CA 1.174 23 residues pruned to eliminate duplicates Z: 21 25.350 1.782 0.699 0.904 1.000 0.750 CB 1.333 19 residues pruned to eliminate duplicates Z: 25 34.487 2.079 0.560 0.918 1.000 0.875 CA 1.530 25 residues pruned to eliminate duplicates Z: 27 23.147 2.101 0.134 0.946 1.000 0.923 CB 1.318 27 residues pruned to eliminate duplicates Z: 14 22.066 1.922 0.473 0.914 1.000 1.000 CB 1.529 14 residues pruned to eliminate duplicates Z: 37 40.769 2.012 0.758 0.938 0.972 0.833 CB 1.374 37 residues pruned to eliminate duplicates Z: 25 22.107 1.791 0.453 0.936 1.000 0.958 CB 1.208 27 residues pruned to eliminate duplicates Z: 20 21.681 1.779 0.519 0.921 0.947 0.684 CB 1.367 20 residues pruned to eliminate duplicates Z: 24 26.129 1.822 0.627 0.931 1.000 0.870 CB 1.284 22 residues pruned to eliminate duplicates Z: 29 50.773 2.180 1.064 0.935 1.000 0.821 CA 1.486 29 residues pruned to eliminate duplicates Z: 38 44.348 1.954 0.963 0.892 0.946 0.676 CB 1.443 38 residues pruned to eliminate duplicates Z: 50 41.035 2.016 0.664 0.831 0.980 0.653 CB 1.341 50 residues pruned to eliminate duplicates Z: 15 20.245 1.751 0.629 0.875 1.000 0.786 CB 1.379 13 residues pruned to eliminate duplicates Z: 29 46.680 2.149 0.889 0.934 1.000 0.786 CA 1.516 29 residues pruned to eliminate duplicates Z: 36 27.909 1.817 0.791 0.928 0.914 0.571 CB 1.110 37 residues pruned to eliminate duplicates Z: 38 41.311 1.968 0.737 0.878 0.973 0.757 CA 1.482 38 residues pruned to eliminate duplicates Z: 25 33.972 1.997 0.809 0.874 0.875 0.542 CB 1.597 25 residues pruned to eliminate duplicates Z: 23 28.188 1.771 0.983 0.920 0.909 0.682 CA 1.325 22 residues pruned to eliminate duplicates Z: 13 19.403 2.218 0.109 0.948 1.000 1.000 CA 1.574 13 residues pruned to eliminate duplicates Z: 29 54.263 2.155 1.268 0.954 1.000 0.643 CB 1.444 29 residues pruned to eliminate duplicates Z: 25 15.330 1.663 0.397 0.895 1.000 0.792 CA 0.965 25 residues pruned to eliminate duplicates Z: 38 37.803 2.015 0.547 0.932 1.000 0.919 CA 1.392 38 residues pruned to eliminate duplicates Z: 25 24.062 2.034 0.390 0.952 0.958 0.792 CB 1.248 25 residues pruned to eliminate duplicates Z: 19 27.648 1.923 0.594 0.919 1.000 0.833 CB 1.498 19 residues pruned to eliminate duplicates Z: 18 26.914 1.881 0.908 0.876 0.941 0.824 CB 1.405 4 residues pruned to eliminate duplicates Z: 54 43.166 1.976 0.810 0.776 0.906 0.774 CB 1.435 55 residues pruned to eliminate duplicates Z: 28 23.621 1.840 0.463 0.873 0.963 0.704 CB 1.278 28 residues pruned to eliminate duplicates Z: 36 38.871 2.058 0.858 0.941 1.000 0.600 CB 1.193 36 residues pruned to eliminate duplicates Z: 30 34.550 2.068 0.602 0.916 0.931 0.759 CB 1.470 30 residues pruned to eliminate duplicates Z: 36 34.129 1.951 0.616 0.921 0.971 0.743 CB 1.325 36 residues pruned to eliminate duplicates Z: 27 22.021 1.706 0.474 0.903 1.000 0.731 CA 1.224 27 residues pruned to eliminate duplicates Z: 8 17.373 2.210 0.582 0.900 1.000 0.857 CB 1.341 8 residues pruned to eliminate duplicates Z: 19 26.524 1.938 0.557 0.927 1.000 0.833 CB 1.452 19 residues pruned to eliminate duplicates Z: 30 41.303 2.021 0.711 0.924 1.000 0.828 CA 1.557 30 residues pruned to eliminate duplicates Z: 38 39.631 1.975 0.705 0.889 1.000 0.622 CA 1.394 38 residues pruned to eliminate duplicates Z: 37 47.694 2.005 0.863 0.910 1.000 0.750 CB 1.509 37 residues pruned to eliminate duplicates Z: 11 15.479 1.935 0.954 0.901 0.800 0.700 CB 1.155 11 residues pruned to eliminate duplicates Z: 29 47.264 2.165 0.942 0.922 1.000 0.857 CA 1.494 29 residues pruned to eliminate duplicates Z: 35 28.345 1.781 0.593 0.897 0.941 0.618 CB 1.303 35 residues pruned to eliminate duplicates Z: 19 22.371 1.868 0.832 0.895 0.944 0.833 CB 1.170 19 residues pruned to eliminate duplicates Z: 21 26.728 1.826 0.906 0.900 1.000 0.800 CB 1.227 18 residues pruned to eliminate duplicates Z: 15 12.324 1.783 0.180 0.901 1.000 0.929 CA 1.117 15 residues pruned to eliminate duplicates Z: 27 36.311 1.838 0.955 0.943 0.962 0.538 CB 1.429 18 residues pruned to eliminate duplicates Z: 22 30.289 2.192 0.335 0.931 1.000 0.857 CB 1.579 22 residues pruned to eliminate duplicates Z: 36 43.763 2.063 0.737 0.938 1.000 0.686 CB 1.436 36 residues pruned to eliminate duplicates Z: 12 26.463 2.122 0.768 0.815 1.000 0.727 CB 1.618 12 residues pruned to eliminate duplicates Z: 19 21.089 1.842 0.591 0.903 1.000 0.778 CB 1.209 19 residues pruned to eliminate duplicates Z: 22 20.245 1.755 0.742 0.894 0.905 0.619 CB 1.146 17 residues pruned to eliminate duplicates Z: 20 16.402 1.627 0.375 0.867 1.000 0.842 CB 1.230 Z: 35 28.055 1.756 0.802 0.871 1.000 0.559 CB 1.109 35 residues pruned to eliminate duplicates Z: 27 30.154 1.769 0.832 0.863 0.962 0.808 CB 1.392 27 residues pruned to eliminate duplicates Z: 32 20.813 1.578 0.530 0.884 0.968 0.677 CB 1.156 20 residues pruned to eliminate duplicates Z: 20 26.751 1.847 0.840 0.858 1.000 0.421 CB 1.330 20 residues pruned to eliminate duplicates Z: 7 19.316 1.721 1.249 0.883 1.000 1.000 N 1.473 Z: 31 35.425 2.076 0.565 0.889 0.933 0.767 CA 1.536 31 residues pruned to eliminate duplicates Z: 26 25.534 1.815 0.428 0.893 1.000 0.920 CB 1.415 26 residues pruned to eliminate duplicates Z: 28 32.350 2.138 0.585 0.953 1.000 0.815 CB 1.264 28 residues pruned to eliminate duplicates Z: 6 2.278 1.493 0.572 0.583 0.800 0.600 CB 0.501 Z: 13 24.795 1.705 1.250 0.929 1.000 0.667 CB 1.306 14 residues pruned to eliminate duplicates Z: 19 18.747 1.791 0.663 0.873 0.833 0.444 CB 1.297 19 residues pruned to eliminate duplicates Z: 21 24.198 1.798 0.855 0.940 1.000 0.650 CB 1.126 21 residues pruned to eliminate duplicates Z: 20 25.148 1.856 0.594 0.936 1.000 0.789 CB 1.357 20 residues pruned to eliminate duplicates Z: 23 25.230 1.818 0.863 0.938 0.909 0.773 CA 1.215 24 residues pruned to eliminate duplicates Z: 30 39.792 2.126 0.747 0.925 1.000 0.966 CA 1.396 30 residues pruned to eliminate duplicates Z: 38 44.259 1.961 0.801 0.879 1.000 0.757 CA 1.495 38 residues pruned to eliminate duplicates Z: 21 22.284 1.830 0.617 0.942 0.950 0.900 CB 1.229 21 residues pruned to eliminate duplicates Z: 23 21.264 1.745 0.735 0.850 0.909 0.682 CB 1.220 23 residues pruned to eliminate duplicates Z: 21 23.283 1.754 0.531 0.901 1.000 0.800 CB 1.385 21 residues pruned to eliminate duplicates Z: 36 33.062 1.840 0.783 0.936 0.943 0.600 CB 1.259 36 residues pruned to eliminate duplicates Z: 38 41.680 1.966 0.737 0.895 1.000 0.811 CA 1.439 38 residues pruned to eliminate duplicates Z: 30 29.109 1.816 0.666 0.889 1.000 0.690 CB 1.286 30 residues pruned to eliminate duplicates Z: 18 22.832 1.902 0.536 0.933 1.000 0.941 CB 1.323 18 residues pruned to eliminate duplicates Z: 10 8.445 1.516 0.770 0.784 0.889 0.556 CB 0.920 5 residues pruned to eliminate duplicates Z: 25 18.214 1.574 0.470 0.916 1.000 0.833 CB 1.135 25 residues pruned to eliminate duplicates Z: 24 26.989 1.816 0.731 0.930 1.000 0.783 CA 1.252 23 residues pruned to eliminate duplicates Z: 25 19.632 1.731 0.601 0.878 0.958 0.667 CA 1.095 24 residues pruned to eliminate duplicates Z: 20 27.909 1.879 0.784 0.926 0.947 0.474 CB 1.414 20 residues pruned to eliminate duplicates Z: 28 28.831 2.080 0.400 0.915 0.963 0.778 CA 1.399 28 residues pruned to eliminate duplicates Z: 28 43.483 1.998 1.023 0.854 1.000 0.593 CA 1.529 28 residues pruned to eliminate duplicates Z: 19 32.960 1.927 0.918 0.932 1.000 0.500 CB 1.468 19 residues pruned to eliminate duplicates Z: 21 22.478 1.958 0.376 0.926 1.000 0.900 CA 1.308 21 residues pruned to eliminate duplicates Z: 20 12.635 1.696 0.151 0.879 0.895 0.737 CB 1.203 20 residues pruned to eliminate duplicates Z: 30 42.108 2.073 0.822 0.928 0.966 0.793 CB 1.501 30 residues pruned to eliminate duplicates Z: 37 49.222 2.004 0.971 0.912 1.000 0.722 CB 1.471 37 residues pruned to eliminate duplicates Z: 23 21.326 1.779 0.624 0.849 0.955 0.682 CA 1.223 22 residues pruned to eliminate duplicates Z: 23 25.107 1.833 0.701 0.917 1.000 0.636 CA 1.211 23 residues pruned to eliminate duplicates Z: 19 19.088 1.573 0.794 0.898 0.889 0.222 N 1.282 Z: 16 20.794 1.766 0.773 0.931 1.000 0.533 CB 1.199 16 residues pruned to eliminate duplicates Z: 18 22.220 1.824 0.554 0.898 1.000 0.882 CA 1.360 18 residues pruned to eliminate duplicates Z: 16 19.775 1.987 0.647 0.909 1.000 0.933 CA 1.108 16 residues pruned to eliminate duplicates Z: 38 51.128 2.000 1.014 0.909 0.973 0.595 CB 1.522 38 residues pruned to eliminate duplicates Z: 39 41.701 1.984 0.761 0.905 0.974 0.737 CA 1.415 39 residues pruned to eliminate duplicates Z: 22 20.860 1.807 0.521 0.926 1.000 0.952 CA 1.162 22 residues pruned to eliminate duplicates Z: 24 18.506 1.765 0.412 0.896 0.957 0.826 CA 1.160 24 residues pruned to eliminate duplicates Z: 39 46.614 1.970 0.886 0.903 0.974 0.737 CB 1.490 39 residues pruned to eliminate duplicates Z: 38 35.169 1.975 0.486 0.929 1.000 0.892 CA 1.379 38 residues pruned to eliminate duplicates Z: 17 23.010 2.000 0.661 0.913 0.938 0.750 CA 1.307 17 residues pruned to eliminate duplicates Z: 6 4.179 1.585 0.181 0.536 0.800 0.400 CA 1.205 Z: 22 26.627 1.811 0.764 0.930 0.952 0.857 CA 1.335 22 residues pruned to eliminate duplicates Z: 25 21.747 1.766 0.576 0.902 0.958 0.667 CA 1.187 25 residues pruned to eliminate duplicates Z: 37 36.932 2.002 0.679 0.912 0.972 0.750 CA 1.334 37 residues pruned to eliminate duplicates Z: 24 12.301 1.677 0.692 0.611 0.783 0.304 CB 1.040 24 residues pruned to eliminate duplicates Z: 40 43.880 1.947 0.782 0.911 1.000 0.795 CB 1.435 40 residues pruned to eliminate duplicates Z: 30 41.926 2.064 0.833 0.910 1.000 0.759 CB 1.460 30 residues pruned to eliminate duplicates Z: 39 41.932 1.955 0.698 0.920 1.000 0.842 CA 1.444 39 residues pruned to eliminate duplicates Z: 25 27.201 1.825 0.447 0.930 1.000 0.917 CA 1.470 25 residues pruned to eliminate duplicates Z: 23 20.172 1.808 0.407 0.927 0.955 0.909 CB 1.242 23 residues pruned to eliminate duplicates Z: 6 2.378 1.576 0.586 0.297 0.600 0.400 C 0.889 Z: 29 19.908 1.649 0.341 0.879 1.000 0.857 CB 1.233 29 residues pruned to eliminate duplicates Z: 35 29.038 1.806 0.650 0.870 0.941 0.588 CB 1.297 35 residues pruned to eliminate duplicates Z: 13 12.820 1.868 0.380 0.577 1.000 0.833 CA 1.332 14 residues pruned to eliminate duplicates Z: 28 33.734 1.964 0.973 0.909 0.963 0.593 CB 1.235 28 residues pruned to eliminate duplicates Z: 16 16.275 1.726 0.803 0.822 1.000 0.600 CB 1.022 16 residues pruned to eliminate duplicates Z: 8 2.992 1.657 0.830 0.866 1.000 0.857 CB 0.273 Z: 23 26.619 2.007 0.569 0.903 1.000 0.909 CA 1.285 23 residues pruned to eliminate duplicates Z: 18 21.176 1.745 0.968 0.865 1.000 0.529 CB 1.096 17 residues pruned to eliminate duplicates Z: 20 21.604 1.614 0.765 0.837 0.947 0.632 CB 1.374 21 residues pruned to eliminate duplicates Z: 34 21.732 1.662 0.539 0.854 0.909 0.606 CB 1.201 34 residues pruned to eliminate duplicates Z: 28 39.293 1.912 1.147 0.860 0.889 0.556 CB 1.523 28 residues pruned to eliminate duplicates Z: 9 10.064 1.420 0.760 0.805 1.000 0.750 O 1.091 Z: 11 11.902 1.540 0.453 0.834 1.000 0.700 CB 1.261 Z: 21 25.528 1.835 0.853 0.858 0.900 0.700 CB 1.374 21 residues pruned to eliminate duplicates Z: 23 18.912 1.811 0.522 0.931 0.955 0.909 CA 1.071 23 residues pruned to eliminate duplicates Z: 37 36.574 2.012 0.814 0.922 1.000 0.611 CB 1.175 37 residues pruned to eliminate duplicates Z: 35 27.052 1.754 0.656 0.865 0.971 0.618 CB 1.206 35 residues pruned to eliminate duplicates Z: 12 14.783 2.056 0.133 0.929 1.000 1.000 CA 1.339 12 residues pruned to eliminate duplicates Z: 6 2.290 1.450 0.368 0.183 0.600 0.400 CA 1.260 Z: 23 29.463 1.789 0.913 0.923 0.955 0.773 CA 1.351 23 residues pruned to eliminate duplicates Z: 21 34.281 2.212 0.733 0.943 0.950 0.700 CB 1.459 21 residues pruned to eliminate duplicates Z: 26 24.246 1.830 0.676 0.854 0.960 0.720 CB 1.217 26 residues pruned to eliminate duplicates Z: 31 31.405 2.027 0.454 0.875 0.967 0.767 CB 1.464 31 residues pruned to eliminate duplicates Z: 19 24.689 1.906 0.684 0.918 0.889 0.611 CB 1.438 19 residues pruned to eliminate duplicates Z: 18 27.518 1.874 0.861 0.882 1.000 0.941 CA 1.386 18 residues pruned to eliminate duplicates Z: 19 17.167 1.629 0.406 0.881 1.000 0.833 CB 1.280 19 residues pruned to eliminate duplicates Z: 26 27.011 1.777 0.587 0.917 0.960 0.840 CB 1.408 26 residues pruned to eliminate duplicates Z: 33 30.013 1.948 0.568 0.955 0.969 0.750 CB 1.233 29 residues pruned to eliminate duplicates Z: 33 25.322 1.759 0.576 0.885 0.969 0.594 CB 1.203 33 residues pruned to eliminate duplicates Z: 32 21.107 2.034 0.437 0.675 0.871 0.677 CB 1.267 32 residues pruned to eliminate duplicates Z: 25 23.337 1.725 0.492 0.863 0.917 0.750 CA 1.482 25 residues pruned to eliminate duplicates Z: 8 5.131 1.670 0.368 0.418 0.714 0.429 CB 1.295 Z: 14 6.370 1.608 0.711 0.471 0.769 0.308 CB 0.859 10 residues pruned to eliminate duplicates Z: 29 30.388 1.811 0.587 0.912 1.000 0.893 CA 1.415 29 residues pruned to eliminate duplicates Z: 22 29.001 1.847 0.696 0.937 1.000 0.905 CA 1.405 22 residues pruned to eliminate duplicates Z: 26 25.945 2.047 0.385 0.813 0.960 0.880 CB 1.452 26 residues pruned to eliminate duplicates Z: 37 43.584 2.045 0.719 0.923 1.000 0.806 CA 1.452 37 residues pruned to eliminate duplicates Z: 26 24.666 1.769 0.727 0.918 0.960 0.840 CA 1.186 26 residues pruned to eliminate duplicates Z: 28 24.342 1.732 0.967 0.908 0.926 0.556 CB 1.055 28 residues pruned to eliminate duplicates Z: 20 20.249 1.747 0.655 0.921 0.947 0.737 CA 1.193 20 residues pruned to eliminate duplicates Z: 17 25.920 1.877 0.852 0.872 0.938 0.625 CA 1.450 17 residues pruned to eliminate duplicates Z: 29 19.422 1.691 0.564 0.855 0.821 0.536 CB 1.247 29 residues pruned to eliminate duplicates Z: 26 27.383 1.748 0.757 0.918 1.000 0.680 CA 1.257 26 residues pruned to eliminate duplicates Z: 29 28.533 1.835 0.699 0.888 1.000 0.679 CB 1.246 29 residues pruned to eliminate duplicates Z: 6 3.319 1.474 0.267 0.459 1.000 0.400 CB 0.829 Z: 20 20.503 1.861 0.690 0.899 0.947 0.684 CB 1.129 20 residues pruned to eliminate duplicates Z: 27 28.850 1.784 0.812 0.941 1.000 0.808 CB 1.214 27 residues pruned to eliminate duplicates Z: 27 31.868 1.782 0.775 0.938 1.000 0.885 CB 1.374 28 residues pruned to eliminate duplicates Z: 29 26.453 1.950 0.375 0.934 0.964 0.857 CB 1.347 29 residues pruned to eliminate duplicates Z: 16 9.760 1.685 0.072 0.949 1.000 0.933 CB 0.963 16 residues pruned to eliminate duplicates Z: 19 15.837 1.748 0.375 0.902 0.944 0.778 CB 1.173 19 residues pruned to eliminate duplicates Z: 9 11.745 1.529 0.681 0.878 0.875 0.500 N 1.340 9 residues pruned to eliminate duplicates Z: 24 31.168 2.141 0.725 0.954 1.000 0.652 CB 1.210 24 residues pruned to eliminate duplicates Z: 18 24.675 1.788 0.922 0.915 0.941 0.412 CB 1.308 19 residues pruned to eliminate duplicates Z: 29 28.600 1.680 0.792 0.919 1.000 0.750 CA 1.265 26 residues pruned to eliminate duplicates Z: 19 11.134 1.439 0.389 0.831 0.944 0.667 CB 1.045 19 residues pruned to eliminate duplicates Z: 25 32.576 1.837 0.882 0.939 1.000 0.667 CB 1.336 25 residues pruned to eliminate duplicates Z: 20 18.489 1.786 0.607 0.852 0.895 0.737 CB 1.222 20 residues pruned to eliminate duplicates Z: 16 24.110 1.776 0.942 0.936 1.000 0.533 CB 1.257 16 residues pruned to eliminate duplicates Z: 37 37.608 2.014 0.531 0.931 1.000 0.972 CA 1.420 37 residues pruned to eliminate duplicates Z: 37 41.226 1.996 0.866 0.927 0.972 0.639 CB 1.330 37 residues pruned to eliminate duplicates Z: 35 36.796 2.058 0.749 0.824 0.971 0.765 CB 1.364 35 residues pruned to eliminate duplicates Z: 24 25.946 1.818 0.690 0.937 1.000 0.783 CB 1.225 24 residues pruned to eliminate duplicates Z: 15 12.996 1.509 0.599 0.840 1.000 0.714 CB 1.074 11 residues pruned to eliminate duplicates Z: 32 29.353 1.965 0.712 0.954 1.000 0.710 CB 1.078 32 residues pruned to eliminate duplicates Z: 27 34.017 1.976 0.671 0.890 1.000 0.769 CA 1.454 27 residues pruned to eliminate duplicates Z: 26 25.714 1.771 0.832 0.904 0.960 0.480 CB 1.177 26 residues pruned to eliminate duplicates Z: 17 18.492 1.742 0.894 0.927 0.875 0.688 CB 1.122 17 residues pruned to eliminate duplicates Z: 66 33.731 1.861 0.748 0.767 0.892 0.492 CB 1.138 66 residues pruned to eliminate duplicates Z: 38 46.336 2.001 0.783 0.928 1.000 0.757 CA 1.495 38 residues pruned to eliminate duplicates Z: 36 28.655 1.770 0.424 0.893 1.000 0.800 CB 1.380 36 residues pruned to eliminate duplicates Z: 19 27.233 1.869 0.894 0.872 1.000 0.889 CA 1.322 19 residues pruned to eliminate duplicates Z: 26 22.825 1.755 0.605 0.908 0.960 0.840 CA 1.199 26 residues pruned to eliminate duplicates Z: 15 3.617 1.530 0.451 0.168 0.643 0.214 CB 1.014 15 residues pruned to eliminate duplicates Z: 26 26.153 1.730 0.742 0.882 0.960 0.680 CA 1.308 26 residues pruned to eliminate duplicates Z: 27 21.692 1.677 0.348 0.887 0.962 0.808 CB 1.410 25 residues pruned to eliminate duplicates Z: 29 51.102 2.095 1.221 0.909 1.000 0.607 CB 1.474 29 residues pruned to eliminate duplicates Z: 24 32.846 2.129 0.608 0.928 1.000 0.783 CB 1.401 24 residues pruned to eliminate duplicates Z: 39 44.024 1.941 0.835 0.881 1.000 0.579 CA 1.452 39 residues pruned to eliminate duplicates Z: 17 18.525 1.618 0.759 0.911 0.938 0.812 CB 1.230 17 residues pruned to eliminate duplicates Z: 28 28.795 1.764 0.681 0.914 0.963 0.667 CB 1.372 28 residues pruned to eliminate duplicates Z: 37 34.854 1.982 0.499 0.923 1.000 0.861 CA 1.374 37 residues pruned to eliminate duplicates Z: 27 26.932 1.752 0.696 0.904 0.962 0.769 CB 1.316 27 residues pruned to eliminate duplicates Z: 27 22.717 1.658 0.390 0.908 0.962 0.731 CB 1.427 27 residues pruned to eliminate duplicates Z: 34 27.569 1.765 0.532 0.899 0.970 0.758 CB 1.308 34 residues pruned to eliminate duplicates Z: 13 10.302 1.501 0.346 0.886 1.000 0.917 CB 1.062 13 residues pruned to eliminate duplicates Z: 27 23.090 1.955 0.285 0.893 0.962 0.923 CA 1.346 27 residues pruned to eliminate duplicates Z: 15 19.659 1.809 0.619 0.893 1.000 0.786 CB 1.288 15 residues pruned to eliminate duplicates Z: 24 18.156 1.563 0.610 0.858 0.870 0.565 CB 1.274 21 residues pruned to eliminate duplicates Z: 18 20.029 1.719 0.752 0.880 1.000 0.706 CB 1.168 18 residues pruned to eliminate duplicates Z: 28 31.180 1.796 1.064 0.936 1.000 0.630 CB 1.127 30 residues pruned to eliminate duplicates 6 1.671 1.527 0.274 0.318 0.600 0.400 CB 0.783 ? Z: 28 26.542 1.716 0.579 0.908 1.000 0.741 CA 1.338 28 residues pruned to eliminate duplicates Z: 17 17.628 1.774 0.819 0.865 0.875 0.688 CB 1.144 17 residues pruned to eliminate duplicates Z: 37 49.077 2.033 0.889 0.916 0.972 0.722 CB 1.547 37 residues pruned to eliminate duplicates Z: 25 26.474 1.766 0.767 0.933 1.000 0.875 CA 1.209 25 residues pruned to eliminate duplicates Z: 16 16.489 1.665 0.826 0.909 1.000 0.867 CA 0.994 13 residues pruned to eliminate duplicates Z: 16 16.538 1.766 0.853 0.858 0.867 0.667 CB 1.109 16 residues pruned to eliminate duplicates Z: 30 40.048 2.083 0.794 0.899 0.966 0.793 CB 1.473 30 residues pruned to eliminate duplicates Z: 38 38.907 1.979 0.688 0.898 0.973 0.838 CA 1.408 38 residues pruned to eliminate duplicates Z: 20 20.974 1.778 0.696 0.834 0.947 0.842 CA 1.262 20 residues pruned to eliminate duplicates Z: 22 17.812 1.521 0.882 0.831 0.857 0.524 CB 1.190 22 residues pruned to eliminate duplicates Z: 24 26.329 1.775 0.699 0.917 0.957 0.826 CA 1.343 24 residues pruned to eliminate duplicates Z: 14 26.278 1.871 1.279 0.832 0.923 0.462 CB 1.390 20 residues pruned to eliminate duplicates Z: 9 3.162 1.400 0.266 0.372 0.625 0.500 N 1.156 6 residues pruned to eliminate duplicates Z: 35 29.724 1.793 0.461 0.868 1.000 0.824 CB 1.422 35 residues pruned to eliminate duplicates Z: 23 20.909 1.786 0.528 0.917 0.955 0.864 CA 1.208 23 residues pruned to eliminate duplicates Z: 29 26.250 1.900 0.673 0.731 0.929 0.857 CB 1.365 29 residues pruned to eliminate duplicates Z: 36 24.767 1.695 0.300 0.886 1.000 0.800 CB 1.370 36 residues pruned to eliminate duplicates Z: 18 17.976 1.808 0.839 0.853 0.824 0.706 CB 1.177 17 residues pruned to eliminate duplicates Z: 36 30.330 1.834 0.574 0.923 0.971 0.743 CB 1.284 36 residues pruned to eliminate duplicates Z: 29 21.944 1.749 0.345 0.908 0.964 0.821 CB 1.298 29 residues pruned to eliminate duplicates Z: 17 16.716 1.673 0.378 0.877 1.000 0.875 CA 1.317 15 residues pruned to eliminate duplicates Z: 6 3.417 1.767 0.095 0.551 1.000 0.800 CB 0.751 Z: 21 26.232 1.850 0.853 0.896 0.950 0.700 CB 1.289 21 residues pruned to eliminate duplicates Z: 38 37.109 1.999 0.519 0.908 1.000 0.919 CA 1.427 38 residues pruned to eliminate duplicates Z: 20 28.791 1.807 0.953 0.896 1.000 0.789 CA 1.341 20 residues pruned to eliminate duplicates Z: 23 20.412 1.840 0.501 0.922 1.000 0.864 CA 1.108 23 residues pruned to eliminate duplicates Z: 25 22.252 1.787 0.371 0.893 0.958 0.833 CB 1.388 25 residues pruned to eliminate duplicates Z: 17 18.096 1.654 0.751 0.888 0.875 0.688 CA 1.286 17 residues pruned to eliminate duplicates Z: 21 21.278 1.752 0.583 0.921 1.000 0.950 CB 1.207 21 residues pruned to eliminate duplicates Z: 25 25.458 1.815 0.623 0.923 0.958 0.875 CB 1.294 24 residues pruned to eliminate duplicates Z: 19 19.847 1.794 0.790 0.878 0.833 0.222 CB 1.268 19 residues pruned to eliminate duplicates Z: 38 28.963 1.740 0.536 0.837 1.000 0.730 CB 1.332 38 residues pruned to eliminate duplicates Z: 34 39.749 1.947 0.817 0.934 0.970 0.848 CA 1.406 34 residues pruned to eliminate duplicates Z: 19 26.041 1.882 0.814 0.882 1.000 0.944 CA 1.302 19 residues pruned to eliminate duplicates Z: 21 25.684 1.833 0.682 0.907 1.000 0.750 CB 1.324 21 residues pruned to eliminate duplicates Z: 40 40.919 2.054 0.944 0.716 0.897 0.667 CB 1.504 40 residues pruned to eliminate duplicates Z: 13 16.635 1.760 0.787 0.814 1.000 0.750 CA 1.163 13 residues pruned to eliminate duplicates Z: 12 10.673 1.364 0.660 0.905 1.000 0.818 CB 1.011 8 residues pruned to eliminate duplicates Z: 24 20.434 1.646 0.891 0.906 0.913 0.652 CB 1.066 24 residues pruned to eliminate duplicates Z: 8 10.632 1.435 0.686 0.893 1.000 1.000 O 1.193 9 residues pruned to eliminate duplicates Z: 36 31.142 1.783 0.471 0.892 1.000 0.714 CB 1.441 36 residues pruned to eliminate duplicates Z: 22 18.823 1.547 0.839 0.872 0.905 0.619 CB 1.163 22 residues pruned to eliminate duplicates Z: 6 8.838 1.695 0.834 0.656 0.800 0.200 CB 1.375 6 residues pruned to eliminate duplicates Z: 6 8.301 1.857 0.515 0.676 0.800 0.600 CB 1.403 9 residues pruned to eliminate duplicates Z: 11 5.493 1.491 0.858 0.683 0.900 0.800 CB 0.589 Z: 17 13.277 1.798 0.276 0.787 0.938 0.812 CA 1.199 17 residues pruned to eliminate duplicates Z: 23 24.995 1.827 0.907 0.771 0.909 0.864 CB 1.324 23 residues pruned to eliminate duplicates Z: 19 14.480 1.542 0.451 0.844 1.000 0.667 CB 1.135 19 residues pruned to eliminate duplicates Z: 16 15.499 1.968 0.283 0.796 0.867 0.733 CA 1.411 16 residues pruned to eliminate duplicates Z: 8 4.961 1.480 0.709 0.678 0.857 0.714 CB 0.734 6 1.819 1.559 0.339 0.808 1.000 0.800 CB 0.298 ? Z: 38 28.935 1.765 0.590 0.892 0.946 0.838 CB 1.288 38 residues pruned to eliminate duplicates Z: 30 41.170 1.995 0.852 0.949 0.966 0.862 CB 1.479 30 residues pruned to eliminate duplicates Z: 24 23.801 1.770 0.771 0.925 0.913 0.696 CA 1.217 24 residues pruned to eliminate duplicates 7 1.527 1.729 -0.498 0.462 0.833 0.833 CA 0.895 ? Z: 50 38.882 1.979 0.719 0.814 0.959 0.612 CB 1.296 50 residues pruned to eliminate duplicates Z: 46 30.437 1.951 0.689 0.720 0.933 0.733 CB 1.210 46 residues pruned to eliminate duplicates Z: 11 9.255 1.635 0.383 0.475 0.900 0.700 CB 1.474 11 residues pruned to eliminate duplicates Z: 33 32.021 1.964 0.863 0.950 0.969 0.719 CB 1.101 33 residues pruned to eliminate duplicates Z: 11 2.922 1.301 0.164 0.372 0.800 0.400 CB 0.874 11 residues pruned to eliminate duplicates Z: 24 30.017 1.864 0.870 0.933 1.000 0.783 CB 1.253 25 residues pruned to eliminate duplicates Z: 10 9.498 1.522 0.691 0.883 1.000 0.889 CB 0.889 8 residues pruned to eliminate duplicates Z: 9 4.008 1.595 0.160 0.358 0.875 0.250 CB 1.020 9 residues pruned to eliminate duplicates Z: 28 29.670 1.791 0.979 0.909 0.963 0.630 CB 1.188 28 residues pruned to eliminate duplicates Z: 25 18.488 1.756 0.506 0.879 1.000 0.875 CA 1.035 25 residues pruned to eliminate duplicates Z: 6 2.057 1.126 0.084 0.535 0.800 0.400 N 0.910 7 1.683 1.319 1.036 0.148 0.500 0.500 N 0.790 ? Z: 14 22.935 1.820 0.769 0.929 1.000 0.769 CA 1.383 14 residues pruned to eliminate duplicates Z: 14 9.811 1.539 0.178 0.833 1.000 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 7 3.303 1.337 0.543 0.323 0.833 0.500 N 0.953 Z: 25 21.456 1.819 0.589 0.927 0.917 0.708 CB 1.158 25 residues pruned to eliminate duplicates Z: 21 30.846 2.000 0.809 0.905 1.000 0.750 CA 1.357 21 residues pruned to eliminate duplicates Z: 14 12.494 1.413 0.557 0.913 1.000 0.769 CB 1.115 13 residues pruned to eliminate duplicates Z: 6 3.716 1.109 0.962 0.568 1.000 0.800 C 0.715 Z: 24 23.164 1.766 0.771 0.921 0.957 0.696 CA 1.136 24 residues pruned to eliminate duplicates Z: 6 2.728 1.489 0.081 0.406 0.800 0.800 CB 1.045 Z: 18 25.923 1.811 0.834 0.890 1.000 0.941 CA 1.362 18 residues pruned to eliminate duplicates Z: 6 2.182 1.303 0.770 0.351 0.600 0.600 N 0.828 Z: 29 32.009 1.785 0.986 0.878 0.964 0.500 CB 1.284 29 residues pruned to eliminate duplicates Z: 8 3.820 1.489 0.871 0.453 0.857 0.429 CB 0.635 Z: 22 15.362 1.512 0.419 0.874 0.857 0.857 O 1.327 22 residues pruned to eliminate duplicates Z: 14 10.909 1.599 0.367 0.801 0.846 0.692 O 1.257 14 residues pruned to eliminate duplicates Z: 15 16.865 1.821 0.647 0.727 0.857 0.714 CA 1.429 15 residues pruned to eliminate duplicates Z: 11 16.306 2.108 0.507 0.729 1.000 0.800 CB 1.321 11 residues pruned to eliminate duplicates Z: 30 36.403 2.027 0.653 0.926 0.966 0.759 CB 1.466 30 residues pruned to eliminate duplicates Z: 12 5.241 1.566 0.069 0.378 1.000 0.636 CB 1.076 7 residues pruned to eliminate duplicates Z: 7 2.606 1.571 -0.023 0.427 0.833 0.333 CB 0.897 Z: 6 2.068 1.463 0.536 0.298 0.600 0.600 CA 0.860 Z: 37 37.257 1.983 0.728 0.943 0.972 0.750 CB 1.292 37 residues pruned to eliminate duplicates Z: 28 30.615 1.776 0.757 0.926 1.000 0.704 CB 1.324 28 residues pruned to eliminate duplicates Z: 7 2.596 1.509 -0.204 0.498 1.000 0.500 CA 0.884 Z: 18 17.022 1.719 0.800 0.875 0.765 0.706 CB 1.269 17 residues pruned to eliminate duplicates Z: 26 22.019 1.992 0.634 0.715 0.840 0.640 CB 1.327 26 residues pruned to eliminate duplicates Z: 16 16.263 1.746 0.559 0.878 0.933 0.600 CB 1.200 16 residues pruned to eliminate duplicates Z: 10 14.005 1.988 0.607 0.789 0.889 0.778 CB 1.275 10 residues pruned to eliminate duplicates Z: 21 26.048 1.844 0.815 0.729 1.000 0.550 CA 1.417 21 residues pruned to eliminate duplicates Z: 6 2.237 1.325 -0.319 0.799 1.000 0.800 CB 0.853 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 2.404 1.411 0.622 0.149 0.750 0.000 CB 0.763 Z: 6 3.770 1.313 0.352 0.374 1.000 0.200 O 1.087 Z: 7 4.503 1.398 -0.069 0.872 1.000 0.833 CB 1.030 7 residues pruned to eliminate duplicates Z: 9 4.465 1.354 0.255 0.660 0.750 0.625 CB 1.067 9 residues pruned to eliminate duplicates Z: 9 5.422 1.457 0.332 0.671 0.875 0.875 CB 0.964 9 residues pruned to eliminate duplicates Z: 16 13.689 1.537 0.427 0.848 1.000 0.800 CB 1.195 16 residues pruned to eliminate duplicates Z: 44 19.170 1.719 0.273 0.718 0.907 0.674 CB 1.210 44 residues pruned to eliminate duplicates Z: 13 8.346 1.474 0.370 0.724 0.833 0.833 CB 1.170 13 residues pruned to eliminate duplicates Z: 11 10.321 1.566 0.443 0.858 1.000 0.800 CB 1.064 11 residues pruned to eliminate duplicates Z: 16 7.644 1.353 0.200 0.777 0.933 0.733 CA 1.019 16 residues pruned to eliminate duplicates Z: 19 12.828 1.456 0.421 0.906 0.944 0.889 CB 1.100 19 residues pruned to eliminate duplicates Z: 16 12.506 1.548 0.360 0.816 1.000 0.867 CB 1.165 16 residues pruned to eliminate duplicates Z: 12 9.540 1.479 0.513 0.781 0.909 0.909 CB 1.104 12 residues pruned to eliminate duplicates Z: 10 4.650 1.528 0.297 0.439 0.778 0.444 CB 1.071 10 residues pruned to eliminate duplicates Z: 36 21.078 1.802 0.393 0.698 0.857 0.629 CB 1.382 39 residues pruned to eliminate duplicates Z: 14 13.110 1.535 0.263 0.865 1.000 0.692 CB 1.374 14 residues pruned to eliminate duplicates Z: 14 14.212 1.733 0.151 0.832 1.000 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 38 24.982 1.846 0.502 0.761 0.892 0.730 CB 1.317 38 residues pruned to eliminate duplicates Z: 30 19.113 1.871 0.327 0.667 0.897 0.724 CB 1.366 30 residues pruned to eliminate duplicates Z: 30 19.261 1.856 0.340 0.705 0.897 0.724 CB 1.331 30 residues pruned to eliminate duplicates Z: 36 18.546 1.790 0.433 0.635 0.857 0.686 CB 1.256 36 residues pruned to eliminate duplicates Z: 11 10.817 1.637 0.555 0.600 0.900 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 29 21.939 1.878 0.545 0.801 0.929 0.679 CB 1.182 29 residues pruned to eliminate duplicates Z: 28 23.424 1.854 0.444 0.749 0.963 0.667 CB 1.400 28 residues pruned to eliminate duplicates Z: 33 23.169 1.782 0.598 0.658 0.906 0.625 CB 1.369 33 residues pruned to eliminate duplicates Z: 23 13.354 1.816 0.308 0.701 0.864 0.773 CB 1.156 23 residues pruned to eliminate duplicates Z: 29 18.715 1.862 0.249 0.711 0.929 0.679 CB 1.352 29 residues pruned to eliminate duplicates Z: 29 21.074 1.880 0.373 0.704 0.929 0.607 CB 1.380 29 residues pruned to eliminate duplicates Z: 29 19.551 1.885 0.226 0.725 0.964 0.750 CB 1.354 29 residues pruned to eliminate duplicates Z: 36 22.195 1.862 0.438 0.674 0.943 0.771 CB 1.265 36 residues pruned to eliminate duplicates Z: 24 19.760 1.888 0.390 0.682 1.000 0.783 CB 1.328 24 residues pruned to eliminate duplicates Z: 31 22.868 1.895 0.483 0.637 0.933 0.667 CB 1.400 31 residues pruned to eliminate duplicates Z: 33 25.812 1.870 0.570 0.735 0.906 0.688 CB 1.389 33 residues pruned to eliminate duplicates Z: 30 18.878 1.844 0.472 0.631 0.897 0.483 CB 1.273 30 residues pruned to eliminate duplicates Z: 28 21.509 1.935 0.545 0.664 0.852 0.630 CB 1.397 28 residues pruned to eliminate duplicates Z: 29 23.974 1.831 0.480 0.735 0.964 0.679 CB 1.404 29 residues pruned to eliminate duplicates Z: 34 26.739 1.851 0.641 0.741 0.970 0.606 CB 1.273 34 residues pruned to eliminate duplicates Z: 29 21.019 1.863 0.531 0.736 0.929 0.607 CB 1.214 29 residues pruned to eliminate duplicates Z: 33 19.956 1.807 0.525 0.651 0.906 0.562 CB 1.228 33 residues pruned to eliminate duplicates Z: 51 24.002 1.755 0.595 0.638 0.900 0.640 CB 1.184 51 residues pruned to eliminate duplicates Z: 32 24.618 1.901 0.552 0.729 0.903 0.645 CB 1.350 32 residues pruned to eliminate duplicates Z: 39 23.517 1.792 0.609 0.657 0.895 0.526 CB 1.278 39 residues pruned to eliminate duplicates Z: 32 18.831 1.862 0.453 0.731 0.968 0.581 CB 1.049 32 residues pruned to eliminate duplicates Z: 34 17.133 1.868 0.457 0.636 0.848 0.424 CB 1.137 34 residues pruned to eliminate duplicates Z: 35 18.496 1.847 0.457 0.608 0.882 0.618 CB 1.206 35 residues pruned to eliminate duplicates Z: 12 13.118 1.905 0.562 0.835 0.909 0.818 CB 1.095 12 residues pruned to eliminate duplicates Z: 17 20.681 1.879 0.250 0.926 1.000 0.938 CB 1.543 17 residues pruned to eliminate duplicates Z: 21 16.274 1.755 0.331 0.780 0.900 0.750 CB 1.351 21 residues pruned to eliminate duplicates Z: 17 22.359 1.916 0.486 0.867 0.938 0.688 CB 1.532 17 residues pruned to eliminate duplicates Z: 22 19.630 1.829 0.535 0.758 0.905 0.619 CB 1.340 22 residues pruned to eliminate duplicates Z: 21 19.921 1.818 0.598 0.809 0.950 0.800 CB 1.233 21 residues pruned to eliminate duplicates Z: 46 27.541 1.855 0.576 0.747 0.889 0.578 CB 1.266 46 residues pruned to eliminate duplicates Z: 13 16.806 1.708 0.454 0.898 1.000 0.917 CB 1.397 13 residues pruned to eliminate duplicates Z: 12 16.381 1.842 0.447 0.913 1.000 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 13 13.709 1.821 0.311 0.881 0.917 0.917 CB 1.309 13 residues pruned to eliminate duplicates Z: 16 13.434 1.739 0.419 0.758 0.933 0.600 CB 1.197 16 residues pruned to eliminate duplicates Z: 12 18.435 1.831 0.742 0.919 1.000 0.818 CB 1.228 12 residues pruned to eliminate duplicates Z: 18 18.989 1.718 0.727 0.899 1.000 0.647 CB 1.110 18 residues pruned to eliminate duplicates Z: 13 15.023 1.797 0.642 0.867 0.917 0.667 CB 1.173 13 residues pruned to eliminate duplicates Z: 20 22.368 1.837 0.852 0.836 0.895 0.579 CB 1.262 20 residues pruned to eliminate duplicates Z: 14 13.587 1.718 0.649 0.758 0.923 0.769 N 1.145 14 residues pruned to eliminate duplicates Z: 19 11.905 1.735 0.186 0.685 1.000 0.722 CA 1.151 21 residues pruned to eliminate duplicates Z: 30 23.422 1.764 0.259 0.866 1.000 0.897 CB 1.434 30 residues pruned to eliminate duplicates Z: 14 15.062 1.802 0.395 0.846 1.000 0.846 CA 1.234 14 residues pruned to eliminate duplicates Z: 27 19.636 1.759 0.582 0.662 0.923 0.577 CB 1.290 27 residues pruned to eliminate duplicates Z: 27 21.787 1.783 0.541 0.726 0.885 0.731 CB 1.435 27 residues pruned to eliminate duplicates Z: 27 19.767 1.755 0.494 0.696 0.923 0.731 CB 1.339 27 residues pruned to eliminate duplicates Z: 19 23.955 1.825 0.746 0.917 0.944 0.833 CB 1.324 19 residues pruned to eliminate duplicates Z: 22 18.158 1.718 0.774 0.649 0.905 0.714 CB 1.251 22 residues pruned to eliminate duplicates Z: 20 19.356 1.775 0.765 0.650 0.947 0.684 CB 1.301 20 residues pruned to eliminate duplicates Z: 27 20.947 1.729 0.673 0.766 0.923 0.769 CB 1.216 27 residues pruned to eliminate duplicates Z: 28 21.959 1.749 0.648 0.704 0.963 0.667 CB 1.265 28 residues pruned to eliminate duplicates Z: 24 21.816 1.692 0.658 0.799 0.957 0.652 CB 1.305 24 residues pruned to eliminate duplicates Z: 32 26.507 1.772 0.761 0.783 0.968 0.645 CB 1.229 32 residues pruned to eliminate duplicates Z: 21 21.712 1.778 0.643 0.850 0.950 0.700 CB 1.296 21 residues pruned to eliminate duplicates Z: 22 22.052 1.813 0.628 0.780 0.952 0.667 CB 1.338 22 residues pruned to eliminate duplicates Z: 26 22.366 1.742 0.764 0.769 1.000 0.600 CB 1.147 26 residues pruned to eliminate duplicates Z: 27 17.161 1.735 0.638 0.654 0.885 0.577 CB 1.160 27 residues pruned to eliminate duplicates Z: 29 24.519 1.809 0.798 0.757 0.964 0.571 CB 1.175 29 residues pruned to eliminate duplicates Z: 27 21.939 1.727 0.751 0.756 0.962 0.500 CB 1.179 27 residues pruned to eliminate duplicates Z: 31 22.107 1.762 0.845 0.711 0.933 0.433 CB 1.098 31 residues pruned to eliminate duplicates Z: 34 24.546 1.735 0.694 0.781 0.939 0.485 CB 1.208 34 residues pruned to eliminate duplicates Z: 30 24.522 1.782 0.609 0.781 0.931 0.621 CB 1.332 30 residues pruned to eliminate duplicates Z: 28 27.642 1.847 0.711 0.784 0.963 0.704 CB 1.361 28 residues pruned to eliminate duplicates Z: 31 26.777 1.803 0.698 0.796 0.967 0.667 CB 1.275 31 residues pruned to eliminate duplicates Z: 36 23.400 1.748 0.661 0.753 0.914 0.743 CB 1.189 36 residues pruned to eliminate duplicates Z: 8 8.873 1.646 0.881 0.709 0.714 0.429 CB 1.254 8 residues pruned to eliminate duplicates Z: 34 26.793 1.777 0.730 0.781 0.939 0.636 CB 1.261 34 residues pruned to eliminate duplicates Z: 22 21.629 1.752 0.726 0.696 0.905 0.619 CA 1.443 22 residues pruned to eliminate duplicates Z: 87 60.536 2.060 0.658 0.820 0.977 0.826 CA 1.483 87 residues pruned to eliminate duplicates Z: 32 30.840 1.943 0.654 0.871 1.000 0.935 CA 1.258 32 residues pruned to eliminate duplicates Z: 33 31.974 1.959 0.699 0.837 0.969 0.719 CA 1.311 33 residues pruned to eliminate duplicates Z: 32 36.607 1.951 0.825 0.881 1.000 0.839 CA 1.338 32 residues pruned to eliminate duplicates Z: 55 47.042 2.010 0.675 0.850 0.963 0.815 CA 1.462 55 residues pruned to eliminate duplicates Z: 31 30.639 1.989 0.555 0.875 0.933 0.767 CA 1.409 31 residues pruned to eliminate duplicates Z: 33 32.426 1.934 0.658 0.863 0.969 0.719 CA 1.354 33 residues pruned to eliminate duplicates Z: 31 34.058 1.994 0.723 0.872 0.933 0.667 CA 1.414 31 residues pruned to eliminate duplicates Z: 53 53.917 2.066 0.734 0.879 0.981 0.827 CA 1.543 53 residues pruned to eliminate duplicates Z: 34 34.080 1.916 0.746 0.801 0.939 0.818 CA 1.451 34 residues pruned to eliminate duplicates Z: 56 54.492 2.037 0.758 0.870 0.982 0.818 CB 1.525 56 residues pruned to eliminate duplicates Z: 32 37.558 1.974 0.790 0.876 0.968 0.839 CA 1.434 32 residues pruned to eliminate duplicates Z: 60 53.418 2.077 0.661 0.875 0.966 0.814 CA 1.518 60 residues pruned to eliminate duplicates Z: 56 58.793 2.077 0.761 0.889 1.000 0.782 CB 1.561 56 residues pruned to eliminate duplicates Z: 30 40.583 1.994 0.868 0.902 1.000 0.759 CA 1.443 30 residues pruned to eliminate duplicates Z: 33 39.791 1.969 0.904 0.862 0.969 0.688 CA 1.422 33 residues pruned to eliminate duplicates Z: 60 52.702 2.012 0.781 0.825 0.966 0.695 CA 1.495 60 residues pruned to eliminate duplicates Z: 57 56.019 2.049 0.748 0.902 0.982 0.732 CB 1.518 57 residues pruned to eliminate duplicates Z: 48 38.507 1.913 0.749 0.802 0.957 0.787 CA 1.347 48 residues pruned to eliminate duplicates Z: 69 55.531 1.990 0.866 0.805 0.956 0.750 CA 1.454 69 residues pruned to eliminate duplicates Z: 31 42.634 2.002 0.958 0.889 0.967 0.833 CA 1.479 31 residues pruned to eliminate duplicates Z: 60 53.797 2.039 0.682 0.846 1.000 0.729 CB 1.517 60 residues pruned to eliminate duplicates Z: 58 54.118 2.036 0.813 0.846 0.965 0.754 CB 1.495 58 residues pruned to eliminate duplicates Z: 32 40.267 1.946 0.979 0.857 0.968 0.742 CA 1.429 32 residues pruned to eliminate duplicates Z: 61 56.313 1.998 0.831 0.828 0.967 0.767 CB 1.548 61 residues pruned to eliminate duplicates Z: 32 41.809 1.979 0.997 0.866 0.968 0.742 CA 1.438 32 residues pruned to eliminate duplicates Z: 33 39.021 1.935 0.903 0.837 1.000 0.625 CB 1.400 33 residues pruned to eliminate duplicates Z: 56 58.053 2.074 0.753 0.885 1.000 0.782 CA 1.555 56 residues pruned to eliminate duplicates Z: 57 51.610 2.004 0.739 0.842 0.982 0.714 CA 1.501 57 residues pruned to eliminate duplicates Z: 55 54.367 2.076 0.783 0.880 0.944 0.685 CA 1.534 55 residues pruned to eliminate duplicates Z: 55 57.522 2.050 0.890 0.864 0.981 0.796 CA 1.509 55 residues pruned to eliminate duplicates Z: 57 55.987 2.055 0.782 0.891 0.982 0.714 CB 1.496 57 residues pruned to eliminate duplicates Z: 61 51.410 2.028 0.766 0.833 1.000 0.800 CA 1.390 61 residues pruned to eliminate duplicates Z: 59 53.437 2.024 0.781 0.837 0.966 0.724 CB 1.508 59 residues pruned to eliminate duplicates Z: 58 53.824 2.065 0.656 0.898 1.000 0.772 CA 1.492 58 residues pruned to eliminate duplicates Z: 54 56.380 2.066 0.795 0.848 1.000 0.792 CA 1.548 54 residues pruned to eliminate duplicates Z: 66 54.457 2.034 0.666 0.857 0.985 0.831 CA 1.492 66 residues pruned to eliminate duplicates Z: 63 48.326 2.010 0.722 0.789 0.935 0.742 CA 1.470 63 residues pruned to eliminate duplicates Z: 64 53.148 2.048 0.716 0.848 0.968 0.778 CA 1.460 64 residues pruned to eliminate duplicates Z: 57 54.556 2.033 0.777 0.847 0.982 0.821 CA 1.525 57 residues pruned to eliminate duplicates Z: 59 52.550 2.065 0.745 0.866 0.983 0.776 CA 1.427 59 residues pruned to eliminate duplicates Z: 56 60.285 2.050 0.909 0.876 1.000 0.745 CA 1.509 56 residues pruned to eliminate duplicates Z: 54 59.312 2.058 0.879 0.869 1.000 0.736 CA 1.539 54 residues pruned to eliminate duplicates Z: 56 57.519 2.034 0.865 0.860 1.000 0.764 CB 1.503 56 residues pruned to eliminate duplicates Z: 57 62.694 2.077 0.909 0.877 1.000 0.750 CB 1.535 57 residues pruned to eliminate duplicates Z: 61 57.196 2.028 0.903 0.822 1.000 0.717 CB 1.447 61 residues pruned to eliminate duplicates Z: 55 56.433 2.029 0.942 0.862 1.000 0.741 CB 1.431 55 residues pruned to eliminate duplicates Z: 64 57.302 2.041 0.852 0.856 0.984 0.810 CB 1.431 64 residues pruned to eliminate duplicates Z: 58 59.542 2.066 0.912 0.859 1.000 0.702 CB 1.470 58 residues pruned to eliminate duplicates Z: 99 74.003 2.075 0.925 0.844 0.969 0.633 CB 1.437 99 residues pruned to eliminate duplicates Z: 64 59.586 2.059 0.898 0.886 0.984 0.635 CB 1.408 64 residues pruned to eliminate duplicates Z: 49 39.519 2.110 0.701 0.639 0.979 0.667 CB 1.425 49 residues pruned to eliminate duplicates Z: 19 17.260 1.958 0.849 0.626 0.944 0.556 CB 1.057 19 residues pruned to eliminate duplicates Z: 78 59.832 2.109 0.895 0.779 0.935 0.636 CB 1.427 78 residues pruned to eliminate duplicates Z: 10 20.672 2.101 0.876 0.896 1.000 0.556 CB 1.252 10 residues pruned to eliminate duplicates Z: 77 59.394 2.120 0.731 0.820 0.947 0.763 CB 1.484 77 residues pruned to eliminate duplicates Z: 21 22.484 2.029 0.669 0.788 0.900 0.650 CB 1.281 21 residues pruned to eliminate duplicates Z: 125 82.304 2.091 0.828 0.819 0.968 0.685 CB 1.515 125 residues pruned to eliminate duplicates Z: 24 27.125 2.042 0.995 0.710 0.913 0.435 CB 1.257 24 residues pruned to eliminate duplicates Z: 73 62.600 2.051 0.974 0.885 0.986 0.597 CB 1.334 73 residues pruned to eliminate duplicates Z: 19 35.733 2.002 1.207 0.924 1.000 0.722 CB 1.339 19 residues pruned to eliminate duplicates Z: 60 45.376 2.107 0.785 0.748 0.966 0.610 CB 1.303 60 residues pruned to eliminate duplicates Z: 51 54.832 2.133 1.111 0.774 0.980 0.560 CB 1.380 51 residues pruned to eliminate duplicates Z: 108 81.256 2.113 0.988 0.832 0.972 0.654 CB 1.444 108 residues pruned to eliminate duplicates Z: 37 43.937 2.012 1.094 0.936 0.972 0.528 CB 1.246 37 residues pruned to eliminate duplicates Z: 72 68.170 2.069 1.042 0.874 0.972 0.648 CB 1.435 72 residues pruned to eliminate duplicates Z: 36 44.328 2.065 1.150 0.939 0.943 0.600 CB 1.244 36 residues pruned to eliminate duplicates Z: 58 47.665 2.127 0.775 0.730 0.930 0.649 CB 1.463 58 residues pruned to eliminate duplicates Z: 79 60.207 2.095 0.746 0.788 0.949 0.692 CB 1.526 79 residues pruned to eliminate duplicates Z: 121 84.582 2.088 0.891 0.837 1.000 0.725 CB 1.462 120 residues pruned to eliminate duplicates Z: 30 44.425 2.169 0.812 0.866 1.000 0.759 CA 1.536 30 residues pruned to eliminate duplicates Z: 121 75.908 2.061 0.879 0.788 0.942 0.708 CB 1.476 121 residues pruned to eliminate duplicates Z: 58 51.713 2.123 0.874 0.778 0.965 0.702 CB 1.396 58 residues pruned to eliminate duplicates Z: 123 74.916 2.074 0.826 0.803 0.943 0.697 CB 1.458 123 residues pruned to eliminate duplicates Z: 32 50.488 2.184 1.068 0.820 1.000 0.742 CB 1.521 32 residues pruned to eliminate duplicates Z: 48 54.224 2.177 0.920 0.828 1.000 0.681 CB 1.425 48 residues pruned to eliminate duplicates Z: 56 51.160 2.151 0.895 0.752 0.945 0.636 CB 1.429 56 residues pruned to eliminate duplicates Z: 101 84.753 2.109 1.048 0.888 0.990 0.640 CB 1.428 101 residues pruned to eliminate duplicates Z: 49 42.417 2.091 0.911 0.693 0.938 0.562 CB 1.370 49 residues pruned to eliminate duplicates Z: 49 55.557 2.162 1.042 0.828 0.958 0.625 CB 1.427 49 residues pruned to eliminate duplicates Z: 57 49.989 2.132 0.885 0.772 0.929 0.679 CB 1.406 57 residues pruned to eliminate duplicates Z: 57 51.160 2.123 0.929 0.780 0.964 0.696 CB 1.353 57 residues pruned to eliminate duplicates Z: 132 85.356 2.095 0.886 0.847 0.977 0.710 CB 1.434 132 residues pruned to eliminate duplicates Z: 29 55.715 2.219 1.226 0.912 0.964 0.786 CB 1.566 29 residues pruned to eliminate duplicates Z: 75 63.024 2.122 0.874 0.795 0.946 0.622 CB 1.505 75 residues pruned to eliminate duplicates Z: 127 79.840 2.078 0.890 0.805 0.952 0.643 CB 1.457 127 residues pruned to eliminate duplicates Z: 31 50.859 2.187 1.184 0.867 0.933 0.800 CB 1.523 31 residues pruned to eliminate duplicates Z: 60 46.754 2.075 0.855 0.729 0.932 0.593 CB 1.380 60 residues pruned to eliminate duplicates Z: 116 75.836 2.090 0.951 0.797 0.930 0.687 CB 1.437 116 residues pruned to eliminate duplicates Z: 76 64.289 2.096 0.908 0.823 0.960 0.707 CB 1.461 76 residues pruned to eliminate duplicates Z: 102 85.675 2.131 1.007 0.882 0.980 0.802 CB 1.472 103 residues pruned to eliminate duplicates Z: 29 46.115 2.177 0.912 0.937 1.000 0.929 CA 1.457 29 residues pruned to eliminate duplicates Z: 52 52.861 2.122 1.010 0.773 0.980 0.608 CB 1.391 52 residues pruned to eliminate duplicates Z: 106 80.932 2.098 1.028 0.840 0.981 0.629 CB 1.412 106 residues pruned to eliminate duplicates Z: 74 64.039 2.140 0.998 0.815 0.945 0.699 CB 1.411 74 residues pruned to eliminate duplicates Z: 72 65.467 2.132 0.960 0.794 0.958 0.746 CB 1.500 72 residues pruned to eliminate duplicates Z: 43 38.789 2.090 0.918 0.701 0.881 0.690 CB 1.412 43 residues pruned to eliminate duplicates Z: 109 77.234 2.104 0.946 0.848 0.954 0.667 CB 1.412 109 residues pruned to eliminate duplicates Z: 52 53.508 2.159 1.000 0.788 0.941 0.627 CB 1.431 52 residues pruned to eliminate duplicates Z: 122 82.762 2.084 0.890 0.839 0.983 0.645 CB 1.451 122 residues pruned to eliminate duplicates Z: 54 46.390 2.065 0.900 0.758 0.906 0.566 CB 1.425 54 residues pruned to eliminate duplicates Z: 19 27.711 2.099 0.592 0.795 1.000 0.778 CB 1.508 19 residues pruned to eliminate duplicates Z: 126 88.005 2.090 1.056 0.837 0.960 0.592 CB 1.427 126 residues pruned to eliminate duplicates Z: 26 29.384 2.019 0.696 0.736 0.920 0.840 CA 1.509 26 residues pruned to eliminate duplicates Z: 70 65.388 2.155 0.953 0.811 0.942 0.710 CB 1.515 70 residues pruned to eliminate duplicates Z: 17 20.759 2.054 0.653 0.682 0.938 0.812 CA 1.379 17 residues pruned to eliminate duplicates Z: 26 33.256 2.071 0.621 0.855 0.920 0.680 CB 1.589 26 residues pruned to eliminate duplicates Z: 22 23.530 2.007 0.547 0.684 0.905 0.571 CB 1.543 22 residues pruned to eliminate duplicates Z: 23 32.634 2.091 0.755 0.826 0.955 0.773 CA 1.498 23 residues pruned to eliminate duplicates Z: 24 32.496 2.093 0.752 0.805 0.957 0.783 CB 1.481 24 residues pruned to eliminate duplicates Z: 20 31.916 2.086 0.938 0.779 0.895 0.526 CB 1.584 20 residues pruned to eliminate duplicates Z: 26 29.886 2.030 0.789 0.728 0.880 0.760 CA 1.523 26 residues pruned to eliminate duplicates Z: 25 31.201 2.044 0.752 0.761 0.958 0.708 CB 1.472 25 residues pruned to eliminate duplicates Z: 20 31.641 2.092 0.958 0.804 0.947 0.632 CB 1.434 20 residues pruned to eliminate duplicates Z: 21 33.339 2.019 1.050 0.795 0.950 0.550 CA 1.463 21 residues pruned to eliminate duplicates Z: 21 29.430 2.046 0.911 0.753 0.950 0.600 CA 1.414 21 residues pruned to eliminate duplicates Z: 61 57.960 2.114 0.903 0.828 0.933 0.683 CB 1.501 61 residues pruned to eliminate duplicates Z: 30 38.590 2.030 0.749 0.873 0.966 0.655 CB 1.522 30 residues pruned to eliminate duplicates Z: 32 33.772 1.963 0.875 0.812 0.903 0.516 CB 1.390 32 residues pruned to eliminate duplicates Z: 60 62.806 2.119 1.039 0.840 0.949 0.695 CB 1.489 60 residues pruned to eliminate duplicates Z: 26 34.984 2.010 0.919 0.904 0.880 0.600 CB 1.469 27 residues pruned to eliminate duplicates Z: 28 40.942 1.968 1.015 0.901 0.963 0.556 CB 1.472 27 residues pruned to eliminate duplicates Z: 28 33.801 1.922 0.942 0.887 0.852 0.556 CB 1.474 28 residues pruned to eliminate duplicates Z: 68 54.974 2.067 0.988 0.750 0.910 0.612 CB 1.436 68 residues pruned to eliminate duplicates Z: 25 43.400 2.079 1.122 0.909 0.917 0.667 CB 1.555 25 residues pruned to eliminate duplicates Z: 34 26.656 1.923 0.811 0.742 0.848 0.515 CB 1.264 34 residues pruned to eliminate duplicates Z: 33 35.475 1.979 0.980 0.788 0.906 0.500 CB 1.370 33 residues pruned to eliminate duplicates Z: 135 83.067 2.058 0.988 0.836 0.940 0.619 CB 1.396 135 residues pruned to eliminate duplicates Z: 13 18.591 1.797 0.969 0.911 1.000 0.833 CB 1.075 12 residues pruned to eliminate duplicates Z: 28 35.482 1.930 0.953 0.906 1.000 0.556 CB 1.289 28 residues pruned to eliminate duplicates Z: 6 8.461 1.581 0.696 0.785 0.800 0.600 N 1.373 6 residues pruned to eliminate duplicates Z: 9 8.933 1.429 0.660 0.687 1.000 0.500 O 1.121 9 residues pruned to eliminate duplicates Z: 6 6.929 1.558 0.616 0.754 0.800 0.600 N 1.226 6 residues pruned to eliminate duplicates Z: 9 7.729 1.457 0.656 0.657 0.875 0.500 N 1.119 9 residues pruned to eliminate duplicates Z: 31 29.260 1.775 0.594 0.852 0.967 0.833 CB 1.445 31 residues pruned to eliminate duplicates Z: 12 8.547 1.511 0.672 0.731 0.727 0.273 N 1.139 12 residues pruned to eliminate duplicates Z: 29 23.850 1.787 0.597 0.760 0.929 0.714 CB 1.350 29 residues pruned to eliminate duplicates Z: 20 16.101 1.526 0.697 0.812 0.895 0.579 N 1.215 20 residues pruned to eliminate duplicates Z: 33 28.657 1.758 0.577 0.826 0.938 0.688 CB 1.470 33 residues pruned to eliminate duplicates Z: 31 25.440 1.758 0.505 0.806 0.933 0.767 CB 1.440 31 residues pruned to eliminate duplicates Z: 28 27.948 1.799 0.663 0.798 0.963 0.630 CB 1.438 28 residues pruned to eliminate duplicates Z: 30 22.706 1.733 0.508 0.788 0.966 0.690 CB 1.297 30 residues pruned to eliminate duplicates Z: 21 17.598 1.618 0.515 0.818 0.900 0.600 N 1.353 21 residues pruned to eliminate duplicates Z: 50 38.360 1.999 0.495 0.793 0.980 0.673 CB 1.448 50 residues pruned to eliminate duplicates Z: 15 16.299 1.850 0.326 0.766 0.929 0.714 CA 1.510 15 residues pruned to eliminate duplicates Z: 31 24.362 1.795 0.582 0.756 0.867 0.700 CB 1.439 31 residues pruned to eliminate duplicates Z: 30 22.706 1.765 0.507 0.817 0.862 0.724 CB 1.397 30 residues pruned to eliminate duplicates Z: 31 24.757 1.775 0.502 0.762 0.933 0.800 CB 1.439 31 residues pruned to eliminate duplicates Z: 18 14.267 1.670 0.460 0.713 0.882 0.647 CB 1.326 18 residues pruned to eliminate duplicates Z: 22 21.857 1.860 0.445 0.713 0.952 0.810 CB 1.536 22 residues pruned to eliminate duplicates Z: 32 27.089 1.759 0.480 0.798 0.968 0.742 CB 1.488 32 residues pruned to eliminate duplicates Z: 23 18.602 1.835 0.524 0.696 0.818 0.682 CB 1.450 23 residues pruned to eliminate duplicates Z: 31 29.087 1.757 0.597 0.791 1.000 0.733 CB 1.465 31 residues pruned to eliminate duplicates Z: 56 34.635 1.875 0.453 0.798 0.964 0.745 CB 1.371 56 residues pruned to eliminate duplicates Z: 24 18.961 1.808 0.498 0.706 0.913 0.565 CB 1.326 24 residues pruned to eliminate duplicates Z: 22 22.575 1.899 0.628 0.691 0.905 0.571 CB 1.479 22 residues pruned to eliminate duplicates Z: 20 22.723 1.864 0.617 0.795 0.947 0.737 CB 1.410 20 residues pruned to eliminate duplicates Z: 43 38.222 2.046 0.488 0.837 0.976 0.762 CB 1.484 43 residues pruned to eliminate duplicates Z: 58 42.745 1.918 0.614 0.843 0.982 0.754 CB 1.387 58 residues pruned to eliminate duplicates Z: 55 35.713 1.985 0.487 0.765 0.926 0.759 CB 1.405 55 residues pruned to eliminate duplicates Z: 55 35.509 1.973 0.439 0.784 0.944 0.759 CB 1.404 55 residues pruned to eliminate duplicates Z: 46 38.891 2.064 0.452 0.864 1.000 0.778 CB 1.419 46 residues pruned to eliminate duplicates Z: 42 40.411 2.060 0.588 0.840 0.976 0.659 CB 1.475 42 residues pruned to eliminate duplicates Z: 47 43.049 2.046 0.579 0.856 1.000 0.761 CB 1.449 47 residues pruned to eliminate duplicates Z: 49 36.676 1.988 0.500 0.834 0.979 0.792 CB 1.360 49 residues pruned to eliminate duplicates Z: 48 39.516 2.045 0.498 0.835 1.000 0.787 CB 1.410 48 residues pruned to eliminate duplicates Z: 44 36.064 2.008 0.458 0.850 0.977 0.721 CB 1.425 44 residues pruned to eliminate duplicates Z: 48 36.177 2.027 0.463 0.826 0.979 0.723 CB 1.371 48 residues pruned to eliminate duplicates Z: 48 37.245 2.021 0.515 0.805 0.979 0.702 CB 1.389 48 residues pruned to eliminate duplicates Z: 49 36.281 2.014 0.555 0.802 0.938 0.750 CB 1.370 49 residues pruned to eliminate duplicates Z: 48 39.607 2.028 0.564 0.817 1.000 0.745 CB 1.382 48 residues pruned to eliminate duplicates Z: 48 38.896 2.036 0.596 0.811 0.979 0.681 CB 1.361 48 residues pruned to eliminate duplicates Z: 50 41.799 2.000 0.596 0.832 0.980 0.755 CB 1.434 50 residues pruned to eliminate duplicates Z: 50 38.499 1.993 0.623 0.812 0.980 0.612 CB 1.323 50 residues pruned to eliminate duplicates Z: 50 42.303 2.002 0.704 0.847 0.980 0.673 CB 1.343 50 residues pruned to eliminate duplicates Z: 53 45.547 1.998 0.738 0.866 0.981 0.731 CB 1.357 53 residues pruned to eliminate duplicates Z: 33 31.458 2.091 0.656 0.746 0.969 0.469 CB 1.330 33 residues pruned to eliminate duplicates Z: 53 36.977 1.995 0.577 0.787 0.942 0.596 CB 1.344 53 residues pruned to eliminate duplicates Z: 61 36.258 1.914 0.667 0.795 0.867 0.533 CB 1.307 61 residues pruned to eliminate duplicates Z: 49 40.507 2.032 0.667 0.837 1.000 0.667 CB 1.291 49 residues pruned to eliminate duplicates Z: 52 37.770 1.961 0.695 0.799 0.961 0.627 CB 1.275 52 residues pruned to eliminate duplicates Z: 49 40.784 2.005 0.735 0.817 0.958 0.688 CB 1.341 49 residues pruned to eliminate duplicates Z: 58 33.375 1.959 0.534 0.720 0.930 0.596 CB 1.296 58 residues pruned to eliminate duplicates Z: 56 34.430 1.979 0.583 0.760 0.909 0.655 CB 1.294 56 residues pruned to eliminate duplicates Z: 53 37.898 2.014 0.572 0.791 0.962 0.577 CB 1.337 53 residues pruned to eliminate duplicates Z: 53 37.157 1.999 0.650 0.803 0.923 0.519 CB 1.299 53 residues pruned to eliminate duplicates Z: 10 3.626 1.707 0.148 0.317 0.667 0.333 CB 1.133 10 residues pruned to eliminate duplicates Z: 55 37.991 1.991 0.615 0.777 0.981 0.648 CB 1.283 55 residues pruned to eliminate duplicates Z: 59 33.682 1.971 0.593 0.706 0.931 0.552 CB 1.255 59 residues pruned to eliminate duplicates Z: 12 2.568 1.595 0.300 0.133 0.727 0.364 CB 0.811 12 residues pruned to eliminate duplicates Z: 58 35.639 1.943 0.726 0.704 0.930 0.632 CB 1.258 58 residues pruned to eliminate duplicates Z: 7 2.913 1.609 0.810 0.246 0.833 0.333 CB 0.657 7 residues pruned to eliminate duplicates Z: 40 31.994 2.007 0.663 0.657 0.923 0.769 CB 1.437 40 residues pruned to eliminate duplicates Z: 105 55.747 1.981 0.681 0.800 0.962 0.663 CB 1.314 112 residues pruned to eliminate duplicates Z: 28 30.971 2.040 0.509 0.875 1.000 0.852 CA 1.408 28 residues pruned to eliminate duplicates Z: 36 35.069 2.022 0.512 0.783 0.971 0.829 CB 1.556 36 residues pruned to eliminate duplicates Z: 55 42.552 1.982 0.654 0.783 0.926 0.741 CB 1.488 55 residues pruned to eliminate duplicates Z: 30 38.735 2.104 0.693 0.890 0.966 0.793 CB 1.505 30 residues pruned to eliminate duplicates Z: 42 36.455 1.993 0.588 0.725 0.976 0.780 CB 1.505 42 residues pruned to eliminate duplicates Z: 34 35.479 2.083 0.593 0.836 0.970 0.788 CB 1.436 34 residues pruned to eliminate duplicates Z: 34 38.587 2.086 0.651 0.824 0.970 0.818 CB 1.520 34 residues pruned to eliminate duplicates Z: 54 47.316 2.005 0.742 0.799 0.962 0.792 CB 1.489 54 residues pruned to eliminate duplicates Z: 54 41.502 1.982 0.686 0.791 0.906 0.792 CA 1.459 54 residues pruned to eliminate duplicates Z: 55 42.052 1.999 0.634 0.785 0.926 0.741 CB 1.472 55 residues pruned to eliminate duplicates Z: 54 44.134 1.975 0.707 0.792 0.925 0.830 CB 1.504 54 residues pruned to eliminate duplicates Z: 53 46.124 1.991 0.758 0.813 0.942 0.750 CB 1.478 58 residues pruned to eliminate duplicates Z: 30 33.802 2.008 0.578 0.944 0.966 0.897 CB 1.421 30 residues pruned to eliminate duplicates Z: 45 42.230 2.020 0.755 0.791 0.932 0.705 CB 1.493 45 residues pruned to eliminate duplicates Z: 53 42.726 1.996 0.744 0.808 0.923 0.731 CB 1.410 53 residues pruned to eliminate duplicates Z: 46 33.518 1.924 0.687 0.639 0.911 0.711 CA 1.483 46 residues pruned to eliminate duplicates Z: 45 37.856 1.923 0.876 0.714 0.909 0.636 CB 1.434 45 residues pruned to eliminate duplicates Z: 35 35.480 1.993 0.728 0.783 0.941 0.765 CB 1.463 35 residues pruned to eliminate duplicates Z: 50 41.955 1.972 0.792 0.744 0.959 0.714 CB 1.421 50 residues pruned to eliminate duplicates Z: 35 38.425 2.072 0.753 0.796 0.941 0.735 CB 1.487 35 residues pruned to eliminate duplicates Z: 51 36.636 1.940 0.717 0.731 0.900 0.680 CB 1.404 51 residues pruned to eliminate duplicates Z: 33 36.958 2.054 0.869 0.794 0.938 0.781 CB 1.402 33 residues pruned to eliminate duplicates Z: 48 39.476 1.995 0.709 0.753 0.936 0.702 CB 1.440 48 residues pruned to eliminate duplicates Z: 58 43.891 1.931 0.801 0.757 0.947 0.667 CB 1.404 58 residues pruned to eliminate duplicates Z: 55 40.786 1.967 0.835 0.762 0.889 0.648 CB 1.370 55 residues pruned to eliminate duplicates Z: 53 46.434 1.997 0.848 0.812 0.923 0.750 CB 1.440 52 residues pruned to eliminate duplicates Z: 33 36.215 2.026 0.762 0.831 0.969 0.656 CB 1.391 33 residues pruned to eliminate duplicates Z: 6 6.082 1.987 0.286 0.614 0.800 0.800 CB 1.194 6 residues pruned to eliminate duplicates Z: 42 38.902 1.962 0.731 0.732 0.976 0.683 CB 1.489 38 residues pruned to eliminate duplicates Z: 20 26.385 1.811 1.013 0.814 1.000 0.789 CA 1.264 20 residues pruned to eliminate duplicates Z: 48 42.518 1.973 0.779 0.771 0.979 0.681 CB 1.421 48 residues pruned to eliminate duplicates Z: 24 24.744 1.821 0.615 0.732 1.000 0.739 CB 1.424 24 residues pruned to eliminate duplicates Z: 22 26.400 1.870 0.783 0.771 0.952 0.571 CA 1.427 22 residues pruned to eliminate duplicates Z: 52 49.934 2.003 0.773 0.833 0.980 0.824 CB 1.507 52 residues pruned to eliminate duplicates Z: 54 49.700 1.989 0.914 0.797 0.943 0.774 CB 1.466 59 residues pruned to eliminate duplicates Z: 18 27.326 1.896 0.900 0.884 1.000 0.588 CA 1.330 18 residues pruned to eliminate duplicates Z: 24 25.704 1.809 0.855 0.767 0.957 0.826 CB 1.318 24 residues pruned to eliminate duplicates Z: 31 19.661 1.701 0.743 0.603 0.900 0.600 CB 1.219 31 residues pruned to eliminate duplicates Z: 44 32.617 1.957 0.628 0.702 0.930 0.721 CB 1.396 11 residues pruned to eliminate duplicates Z: 20 23.834 1.859 0.932 0.810 0.895 0.684 CA 1.299 20 residues pruned to eliminate duplicates Z: 25 27.364 1.813 0.964 0.714 0.875 0.667 CA 1.477 25 residues pruned to eliminate duplicates Z: 44 36.482 1.957 0.683 0.747 0.930 0.767 CB 1.456 44 residues pruned to eliminate duplicates Z: 53 45.469 1.982 0.857 0.805 0.942 0.731 CB 1.393 53 residues pruned to eliminate duplicates Z: 21 27.723 1.872 0.861 0.796 1.000 0.750 CA 1.373 21 residues pruned to eliminate duplicates Z: 53 50.244 2.005 0.886 0.810 0.962 0.673 CB 1.462 53 residues pruned to eliminate duplicates Z: 22 24.207 1.863 0.801 0.762 0.952 0.667 CB 1.310 22 residues pruned to eliminate duplicates Z: 44 37.107 1.970 0.697 0.715 0.953 0.698 CB 1.461 44 residues pruned to eliminate duplicates Z: 33 34.230 1.964 0.787 0.768 0.938 0.719 CB 1.450 33 residues pruned to eliminate duplicates Z: 43 39.967 1.955 0.731 0.766 1.000 0.786 CB 1.440 43 residues pruned to eliminate duplicates Z: 23 26.801 1.861 0.806 0.728 0.955 0.773 CA 1.450 23 residues pruned to eliminate duplicates Z: 75 46.927 1.917 0.768 0.734 0.919 0.703 CB 1.420 66 residues pruned to eliminate duplicates Z: 21 21.202 1.836 0.468 0.878 1.000 0.900 CA 1.277 21 residues pruned to eliminate duplicates Z: 22 23.228 1.834 0.701 0.794 0.952 0.762 CA 1.318 22 residues pruned to eliminate duplicates Z: 23 20.234 1.836 0.633 0.759 0.909 0.636 CA 1.257 23 residues pruned to eliminate duplicates Z: 17 14.838 1.698 0.648 0.763 0.875 0.562 CA 1.199 17 residues pruned to eliminate duplicates Z: 42 28.982 1.850 0.517 0.767 0.878 0.732 CA 1.450 46 residues pruned to eliminate duplicates Z: 23 22.255 1.822 0.575 0.908 0.955 0.909 CA 1.230 23 residues pruned to eliminate duplicates Z: 23 21.188 1.825 0.808 0.730 0.864 0.636 CA 1.289 23 residues pruned to eliminate duplicates Z: 33 30.695 1.875 0.645 0.807 1.000 0.812 CA 1.346 33 residues pruned to eliminate duplicates Z: 35 22.167 1.827 0.605 0.700 0.882 0.706 CA 1.225 35 residues pruned to eliminate duplicates Z: 18 17.441 1.699 0.713 0.789 0.941 0.706 CA 1.198 18 residues pruned to eliminate duplicates Z: 45 32.311 1.834 0.523 0.821 0.932 0.682 CA 1.417 45 residues pruned to eliminate duplicates Z: 21 26.104 1.889 0.651 0.842 1.000 0.750 CA 1.395 21 residues pruned to eliminate duplicates Z: 24 23.234 1.831 0.735 0.893 0.913 0.739 CA 1.199 24 residues pruned to eliminate duplicates Z: 36 33.467 1.876 0.735 0.803 0.943 0.743 CA 1.415 36 residues pruned to eliminate duplicates Z: 25 23.162 1.806 0.723 0.858 0.917 0.708 CA 1.220 25 residues pruned to eliminate duplicates Z: 28 18.964 1.763 0.679 0.778 0.852 0.704 CA 1.132 28 residues pruned to eliminate duplicates Z: 25 23.123 1.786 0.780 0.851 0.917 0.708 CA 1.199 25 residues pruned to eliminate duplicates Z: 38 27.455 1.809 0.622 0.708 0.946 0.703 CA 1.346 38 residues pruned to eliminate duplicates Z: 25 24.613 1.792 0.845 0.874 0.917 0.708 CA 1.207 25 residues pruned to eliminate duplicates Z: 41 36.079 1.899 0.574 0.822 0.975 0.725 CB 1.480 41 residues pruned to eliminate duplicates Z: 34 34.280 1.884 0.807 0.773 0.970 0.727 CB 1.419 34 residues pruned to eliminate duplicates Z: 38 32.200 1.851 0.663 0.833 0.973 0.757 CA 1.325 38 residues pruned to eliminate duplicates Z: 22 17.998 1.863 0.631 0.601 0.905 0.524 CB 1.298 22 residues pruned to eliminate duplicates Z: 37 33.758 1.851 0.903 0.791 0.889 0.667 CA 1.392 37 residues pruned to eliminate duplicates Z: 29 22.491 1.859 0.438 0.722 0.893 0.714 CB 1.457 29 residues pruned to eliminate duplicates Z: 38 27.346 1.794 0.561 0.783 0.946 0.730 CA 1.323 38 residues pruned to eliminate duplicates Z: 22 20.241 1.859 0.717 0.656 0.857 0.667 CB 1.397 22 residues pruned to eliminate duplicates Z: 30 26.587 1.887 0.634 0.754 0.931 0.724 CB 1.372 30 residues pruned to eliminate duplicates Z: 40 32.972 1.839 0.672 0.807 0.897 0.718 CA 1.463 40 residues pruned to eliminate duplicates Z: 28 29.978 1.919 0.909 0.785 0.963 0.667 CB 1.274 28 residues pruned to eliminate duplicates Z: 19 27.048 1.908 0.626 0.835 1.000 0.778 CB 1.539 19 residues pruned to eliminate duplicates Z: 22 26.417 1.852 0.762 0.807 0.952 0.524 N 1.419 22 residues pruned to eliminate duplicates Z: 29 27.965 1.887 0.782 0.729 0.893 0.607 CB 1.432 29 residues pruned to eliminate duplicates Z: 16 20.328 1.819 0.710 0.797 1.000 0.800 CB 1.301 16 residues pruned to eliminate duplicates Z: 26 29.194 1.818 0.864 0.801 0.920 0.560 CB 1.440 26 residues pruned to eliminate duplicates Z: 18 19.616 1.809 0.799 0.838 0.824 0.294 CB 1.327 18 residues pruned to eliminate duplicates Z: 25 28.625 1.751 0.866 0.846 0.958 0.625 CB 1.386 25 residues pruned to eliminate duplicates Z: 24 26.312 1.782 0.782 0.835 0.957 0.652 CB 1.353 24 residues pruned to eliminate duplicates Z: 13 16.593 1.828 0.984 0.764 0.917 0.583 CB 1.140 13 residues pruned to eliminate duplicates Z: 18 23.233 1.745 0.950 0.845 0.941 0.706 CB 1.308 18 residues pruned to eliminate duplicates Z: 29 36.128 1.793 0.990 0.911 1.000 0.643 CB 1.356 29 residues pruned to eliminate duplicates Z: 51 35.835 1.799 0.820 0.807 0.960 0.520 CB 1.233 51 residues pruned to eliminate duplicates Z: 24 30.786 1.844 0.842 0.907 1.000 0.696 CB 1.343 24 residues pruned to eliminate duplicates Z: 38 34.284 1.820 0.980 0.770 0.946 0.514 CB 1.302 38 residues pruned to eliminate duplicates Z: 30 17.449 1.698 0.674 0.704 0.931 0.448 CB 1.017 30 residues pruned to eliminate duplicates Z: 52 43.412 1.840 0.878 0.878 1.000 0.686 CB 1.276 52 residues pruned to eliminate duplicates Z: 53 42.639 1.828 0.822 0.864 1.000 0.712 CB 1.301 53 residues pruned to eliminate duplicates Z: 30 33.017 1.836 0.972 0.890 0.966 0.655 CB 1.262 30 residues pruned to eliminate duplicates Z: 21 26.153 1.769 0.874 0.838 0.950 0.800 CB 1.388 21 residues pruned to eliminate duplicates Z: 12 10.404 1.352 0.690 0.853 1.000 0.636 O 1.015 11 residues pruned to eliminate duplicates Z: 7 9.032 1.490 0.844 0.863 1.000 0.500 CB 0.984 7 residues pruned to eliminate duplicates Z: 12 4.945 1.459 0.490 0.453 0.545 0.182 CB 1.319 12 residues pruned to eliminate duplicates Z: 10 11.948 1.382 0.841 0.895 1.000 0.667 CB 1.122 10 residues pruned to eliminate duplicates Z: 8 9.380 1.523 0.569 0.910 1.000 1.000 CB 1.052 7 residues pruned to eliminate duplicates Z: 11 12.134 1.443 0.794 0.867 0.900 0.800 O 1.205 12 residues pruned to eliminate duplicates Z: 13 13.593 1.409 0.654 0.918 1.000 1.000 CA 1.188 13 residues pruned to eliminate duplicates Z: 12 10.969 1.400 0.581 0.879 1.000 0.545 CB 1.083 11 residues pruned to eliminate duplicates Z: 12 10.494 1.248 0.722 0.868 1.000 0.636 CA 1.076 10 residues pruned to eliminate duplicates Z: 13 13.353 1.353 0.793 0.849 1.000 0.500 O 1.177 13 residues pruned to eliminate duplicates Z: 8 2.963 1.286 0.248 0.348 1.000 0.571 CB 0.823 8 residues pruned to eliminate duplicates Z: 8 2.176 1.243 0.910 0.484 0.714 0.429 CB 0.493 8 residues pruned to eliminate duplicates Z: 8 2.859 1.256 0.276 0.541 0.714 0.714 N 0.907 Z: 6 2.444 1.410 0.368 0.259 0.800 0.400 CA 0.934 6 residues pruned to eliminate duplicates Z: 7 3.160 1.711 0.188 0.484 0.667 0.333 CB 0.968 8 residues pruned to eliminate duplicates Z: 7 4.968 1.416 0.583 0.491 0.833 0.333 N 1.096 Z: 15 11.096 1.462 0.289 0.817 1.000 0.786 CB 1.195 22 residues pruned to eliminate duplicates Z: 11 5.478 1.602 0.167 0.365 0.800 0.600 CA 1.339 11 residues pruned to eliminate duplicates Z: 21 16.511 1.556 0.420 0.892 0.900 0.750 CB 1.334 20 residues pruned to eliminate duplicates Z: 9 5.087 1.368 0.550 0.726 0.625 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 9 7.104 1.422 0.344 0.656 1.000 0.625 CB 1.137 9 residues pruned to eliminate duplicates Z: 23 15.743 1.520 0.541 0.800 0.864 0.682 CB 1.277 23 residues pruned to eliminate duplicates Z: 19 21.947 1.627 0.719 0.933 0.944 0.722 CB 1.367 20 residues pruned to eliminate duplicates Z: 19 17.344 1.581 0.574 0.868 0.944 0.667 CB 1.271 19 residues pruned to eliminate duplicates Z: 19 21.028 1.560 0.795 0.903 0.944 0.667 CB 1.336 19 residues pruned to eliminate duplicates Z: 18 20.825 1.595 0.846 0.895 1.000 0.706 CB 1.229 18 residues pruned to eliminate duplicates Z: 20 15.858 1.575 0.468 0.676 1.000 0.579 CB 1.338 14 residues pruned to eliminate duplicates Z: 25 16.287 1.495 0.540 0.815 0.875 0.667 CB 1.255 25 residues pruned to eliminate duplicates Z: 25 13.385 1.589 0.602 0.537 0.917 0.500 CB 1.129 25 residues pruned to eliminate duplicates Z: 12 15.816 1.708 0.660 0.778 0.909 0.818 CA 1.448 12 residues pruned to eliminate duplicates Z: 13 16.321 1.693 0.587 0.804 1.000 0.667 CB 1.345 13 residues pruned to eliminate duplicates Z: 24 15.502 1.614 0.628 0.711 0.870 0.478 CB 1.169 24 residues pruned to eliminate duplicates Z: 21 11.116 1.531 0.562 0.575 0.800 0.500 CB 1.208 21 residues pruned to eliminate duplicates Z: 13 16.692 1.690 0.599 0.809 1.000 0.833 CB 1.363 13 residues pruned to eliminate duplicates Z: 12 17.448 1.717 0.677 0.797 1.000 0.727 CA 1.409 12 residues pruned to eliminate duplicates Z: 12 15.569 1.728 0.524 0.801 1.000 0.727 CA 1.370 12 residues pruned to eliminate duplicates Z: 30 11.541 1.590 0.445 0.670 0.793 0.414 CB 1.005 30 residues pruned to eliminate duplicates Z: 18 15.697 1.670 0.582 0.626 0.941 0.588 CB 1.359 18 residues pruned to eliminate duplicates Z: 13 16.237 1.674 0.673 0.838 1.000 0.833 CA 1.251 13 residues pruned to eliminate duplicates Z: 8 2.777 1.278 0.398 0.361 0.714 0.286 O 0.956 Z: 22 13.476 1.431 0.662 0.848 0.905 0.667 CB 1.014 25 residues pruned to eliminate duplicates Z: 12 7.704 1.544 0.704 0.769 0.818 0.636 CB 0.851 9 residues pruned to eliminate duplicates Z: 12 10.247 1.489 0.900 0.821 0.909 0.636 CB 0.909 13 residues pruned to eliminate duplicates Z: 9 8.252 1.534 0.669 0.839 0.875 0.500 CB 0.972 9 residues pruned to eliminate duplicates Z: 9 6.426 1.482 0.676 0.552 0.875 0.750 CB 0.993 9 residues pruned to eliminate duplicates Z: 11 7.114 1.513 0.654 0.636 0.800 0.500 CB 0.989 11 residues pruned to eliminate duplicates Z: 11 6.503 1.542 0.603 0.601 0.800 0.400 CB 0.944 11 residues pruned to eliminate duplicates Z: 6 7.311 1.584 1.189 0.478 0.800 0.400 CB 1.206 6 residues pruned to eliminate duplicates Z: 9 10.308 1.549 0.841 0.552 0.875 0.500 CB 1.388 9 residues pruned to eliminate duplicates Z: 8 10.939 1.708 0.769 0.613 0.857 0.571 CA 1.435 8 residues pruned to eliminate duplicates Z: 7 11.670 1.744 0.924 0.705 0.833 0.500 CA 1.414 7 residues pruned to eliminate duplicates Z: 11 13.146 1.505 0.953 0.780 1.000 0.500 N 1.105 11 residues pruned to eliminate duplicates Z: 12 10.567 1.500 0.863 0.816 0.909 0.818 CB 0.953 12 residues pruned to eliminate duplicates Z: 22 12.897 1.451 0.710 0.746 0.952 0.619 CB 0.956 22 residues pruned to eliminate duplicates Z: 8 4.890 1.398 0.989 0.740 0.857 0.714 CB 0.625 8 residues pruned to eliminate duplicates Z: 9 8.118 1.431 0.456 0.758 1.000 0.875 CA 1.095 9 residues pruned to eliminate duplicates Z: 10 5.338 1.446 0.404 0.558 0.889 0.556 CB 0.932 10 residues pruned to eliminate duplicates Z: 8 6.904 1.499 0.308 0.739 1.000 0.857 CA 1.074 8 residues pruned to eliminate duplicates Z: 13 9.300 1.485 0.361 0.756 0.833 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 12 11.310 1.585 0.410 0.826 0.909 0.909 CB 1.266 12 residues pruned to eliminate duplicates Z: 14 10.170 1.554 0.421 0.757 0.923 0.692 CB 1.101 14 residues pruned to eliminate duplicates Z: 13 12.998 1.575 0.576 0.808 0.917 0.667 CB 1.260 13 residues pruned to eliminate duplicates Z: 14 10.521 1.508 0.470 0.792 0.923 0.692 CB 1.104 14 residues pruned to eliminate duplicates Z: 14 9.255 1.466 0.599 0.742 0.846 0.692 CB 1.042 14 residues pruned to eliminate duplicates Z: 14 11.742 1.545 0.514 0.809 0.923 0.615 CB 1.152 14 residues pruned to eliminate duplicates Z: 13 12.340 1.581 0.499 0.860 1.000 0.833 CB 1.105 13 residues pruned to eliminate duplicates 533 residues left after pruning, divided into chains as follows: A: 27 B: 29 C: 65 D: 31 E: 133 F: 75 G: 43 H: 49 I: 17 J: 8 K: 6 L: 22 M: 28 CC for partial structure against native data = 48.36 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.463, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.676, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.686, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.688, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.690, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.690, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.690, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.688, Connect. = 0.801 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.02 - 3.97 - 3.46 - 3.14 - 2.91 - 2.74 - 2.60 - 2.49 - 2.39 - 2.31 0.672 0.730 0.718 0.688 0.673 0.644 0.663 0.658 0.606 0.582 0.818 0.860 0.853 0.826 0.819 0.787 0.801 0.805 0.743 0.711 N 3459 3480 3462 3469 3513 3391 3488 3346 3543 3310 Estimated mean FOM = 0.664 Pseudo-free CC = 68.31 % Best trace (cycle 1 with CC 51.16%) was saved as ./2iiu-2.3-parrot-hancs/2iiu-2.3-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.6 - Setup, data input and phasing 15.8 - FFTs and peak-searches 33.8 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 745.5 - Tripeptide search 6406.7 - Chain tracing 0.0 - NCS analysis 36.7 - B-value refinement for trace 0.6 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 17:08:43 Total time: 7242.12 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 121.4 Used memory is bytes: 9077864